NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14821 | 1x5a | 11117 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -1.011 8.135 -22.355 2 HA2 GLY 1 1HA GLY 1 -3.218 6.258 -22.035 3 HA3 GLY 1 2HA GLY 1 -2.791 7.563 -20.937 4 H SER 2 H SER 2 -5.087 6.538 -23.034 5 HA SER 2 HA SER 2 -5.809 9.198 -24.008 6 HB2 SER 2 1HB SER 2 -5.906 7.358 -25.623 7 HB3 SER 2 2HB SER 2 -7.037 6.490 -24.585 8 HG SER 2 HG SER 2 -8.363 8.498 -24.826 9 H SER 3 H SER 3 -7.028 10.427 -22.751 10 HA SER 3 HA SER 3 -8.282 9.723 -20.413 11 HB2 SER 3 1HB SER 3 -7.999 12.036 -20.862 12 HB3 SER 3 2HB SER 3 -8.897 11.931 -22.376 13 HG SER 3 HG SER 3 -10.665 12.242 -21.298 14 H GLY 4 H GLY 4 -9.992 10.284 -23.501 15 HA2 GLY 4 1HA GLY 4 -12.149 9.652 -24.092 16 HA3 GLY 4 2HA GLY 4 -11.457 8.063 -23.801 17 H SER 5 H SER 5 -13.258 7.070 -22.998 18 HA SER 5 HA SER 5 -15.101 8.151 -21.208 19 HB2 SER 5 1HB SER 5 -15.728 5.803 -20.720 20 HB3 SER 5 2HB SER 5 -15.553 6.099 -22.450 21 HG SER 5 HG SER 5 -14.425 4.199 -21.171 22 H SER 6 H SER 6 -15.450 6.976 -18.965 23 HA SER 6 HA SER 6 -13.758 8.042 -17.122 24 HB2 SER 6 1HB SER 6 -15.636 5.726 -17.052 25 HB3 SER 6 2HB SER 6 -14.548 5.946 -15.681 26 HG SER 6 HG SER 6 -15.373 8.077 -15.482 27 H GLY 7 H GLY 7 -12.332 6.862 -15.522 28 HA2 GLY 7 1HA GLY 7 -10.879 4.885 -15.223 29 HA3 GLY 7 2HA GLY 7 -10.610 4.936 -16.959 30 H ALA 8 H ALA 8 -10.234 7.707 -17.261 31 HA ALA 8 HA ALA 8 -7.494 7.909 -16.439 32 HB1 ALA 8 1HB ALA 8 -8.081 8.733 -18.606 33 HB2 ALA 8 2HB ALA 8 -9.293 9.816 -17.922 34 HB3 ALA 8 3HB ALA 8 -7.580 10.105 -17.616 35 H GLU 9 H GLU 9 -7.410 8.077 -14.215 36 HA GLU 9 HA GLU 9 -8.816 10.329 -12.969 37 HB2 GLU 9 1HB GLU 9 -7.408 7.951 -11.747 38 HB3 GLU 9 2HB GLU 9 -8.152 9.247 -10.822 39 HG2 GLU 9 1HG GLU 9 -9.637 7.493 -12.762 40 HG3 GLU 9 2HG GLU 9 -9.540 7.198 -11.026 41 H SER 10 H SER 10 -6.399 10.558 -14.671 42 HA SER 10 HA SER 10 -4.240 11.379 -14.620 43 HB2 SER 10 1HB SER 10 -5.888 13.318 -14.370 44 HB3 SER 10 2HB SER 10 -5.450 13.331 -12.662 45 HG SER 10 HG SER 10 -3.191 13.442 -13.559 46 H LEU 11 H LEU 11 -4.408 9.243 -12.842 47 HA LEU 11 HA LEU 11 -3.767 9.459 -10.241 48 HB2 LEU 11 1HB LEU 11 -3.780 7.388 -11.725 49 HB3 LEU 11 2HB LEU 11 -2.091 7.758 -12.064 50 HG LEU 11 HG LEU 11 -1.602 7.543 -9.645 51 HD11 LEU 11 1HD1 LEU 11 -3.738 6.057 -8.698 52 HD12 LEU 11 2HD1 LEU 11 -4.491 7.428 -9.512 53 HD13 LEU 11 3HD1 LEU 11 -3.310 7.704 -8.232 54 HD21 LEU 11 1HD2 LEU 11 -1.203 5.348 -9.891 55 HD22 LEU 11 2HD2 LEU 11 -1.849 5.591 -11.514 56 HD23 LEU 11 3HD2 LEU 11 -2.893 4.973 -10.232 57 H SER 12 H SER 12 -1.975 9.885 -8.965 58 HA SER 12 HA SER 12 -0.086 11.755 -10.112 59 HB2 SER 12 1HB SER 12 -0.869 10.930 -7.353 60 HB3 SER 12 2HB SER 12 0.727 11.645 -7.582 61 HG SER 12 HG SER 12 -0.166 13.518 -8.118 62 H GLY 13 H GLY 13 0.239 9.177 -11.139 63 HA2 GLY 13 1HA GLY 13 1.926 7.697 -11.626 64 HA3 GLY 13 2HA GLY 13 3.010 8.792 -10.782 65 H LEU 14 H LEU 14 0.294 6.704 -9.787 66 HA LEU 14 HA LEU 14 2.117 5.420 -7.866 67 HB2 LEU 14 1HB LEU 14 -0.666 6.455 -7.418 68 HB3 LEU 14 2HB LEU 14 0.055 5.232 -6.375 69 HG LEU 14 HG LEU 14 1.156 8.008 -6.809 70 HD11 LEU 14 1HD1 LEU 14 0.349 7.565 -4.141 71 HD12 LEU 14 2HD1 LEU 14 -0.997 7.094 -5.179 72 HD13 LEU 14 3HD1 LEU 14 -0.310 8.713 -5.307 73 HD21 LEU 14 1HD2 LEU 14 2.944 6.560 -6.259 74 HD22 LEU 14 2HD2 LEU 14 1.983 5.713 -5.047 75 HD23 LEU 14 3HD2 LEU 14 2.494 7.377 -4.762 76 H SER 15 H SER 15 2.104 4.009 -9.924 77 HA SER 15 HA SER 15 -0.186 2.171 -9.912 78 HB2 SER 15 1HB SER 15 0.827 1.327 -12.064 79 HB3 SER 15 2HB SER 15 0.287 3.005 -12.113 80 HG SER 15 HG SER 15 2.289 3.060 -12.967 81 H LEU 16 H LEU 16 0.396 1.034 -8.028 82 HA LEU 16 HA LEU 16 2.714 -0.008 -7.177 83 HB2 LEU 16 1HB LEU 16 0.101 -1.496 -7.369 84 HB3 LEU 16 2HB LEU 16 1.466 -1.990 -6.369 85 HG LEU 16 HG LEU 16 0.071 0.653 -6.016 86 HD11 LEU 16 1HD1 LEU 16 -0.887 -0.685 -3.967 87 HD12 LEU 16 2HD1 LEU 16 -0.678 -2.060 -5.051 88 HD13 LEU 16 3HD1 LEU 16 -1.702 -0.706 -5.531 89 HD21 LEU 16 1HD2 LEU 16 1.035 0.340 -3.698 90 HD22 LEU 16 2HD2 LEU 16 2.197 0.652 -4.988 91 HD23 LEU 16 3HD2 LEU 16 1.982 -0.987 -4.372 92 H LYS 17 H LYS 17 4.141 -1.605 -7.677 93 HA LYS 17 HA LYS 17 3.591 -3.235 -10.062 94 HB2 LYS 17 1HB LYS 17 5.535 -2.654 -11.123 95 HB3 LYS 17 2HB LYS 17 5.201 -1.141 -10.291 96 HG2 LYS 17 1HG LYS 17 7.378 -1.379 -9.724 97 HG3 LYS 17 2HG LYS 17 6.658 -2.300 -8.401 98 HD2 LYS 17 1HD LYS 17 7.353 -4.307 -9.239 99 HD3 LYS 17 2HD LYS 17 7.289 -3.753 -10.914 100 HE2 LYS 17 1HE LYS 17 9.295 -2.332 -10.420 101 HE3 LYS 17 2HE LYS 17 9.398 -3.132 -8.852 102 HZ1 LYS 17 1HZ LYS 17 10.636 -3.989 -11.062 103 HZ2 LYS 17 2HZ LYS 17 9.221 -4.912 -11.127 104 HZ3 LYS 17 3HZ LYS 17 10.220 -4.991 -9.764 105 H LEU 18 H LEU 18 4.410 -5.304 -10.043 106 HA LEU 18 HA LEU 18 5.011 -6.399 -7.464 107 HB2 LEU 18 1HB LEU 18 3.645 -7.599 -9.101 108 HB3 LEU 18 2HB LEU 18 5.029 -7.689 -10.190 109 HG LEU 18 HG LEU 18 6.176 -9.182 -8.692 110 HD11 LEU 18 1HD1 LEU 18 4.010 -8.389 -6.818 111 HD12 LEU 18 2HD1 LEU 18 5.733 -8.619 -6.525 112 HD13 LEU 18 3HD1 LEU 18 4.674 -10.019 -6.695 113 HD21 LEU 18 1HD2 LEU 18 4.184 -9.920 -10.235 114 HD22 LEU 18 2HD2 LEU 18 3.417 -10.307 -8.695 115 HD23 LEU 18 3HD2 LEU 18 4.948 -11.066 -9.133 116 H VAL 19 H VAL 19 6.969 -5.918 -6.650 117 HA VAL 19 HA VAL 19 9.326 -5.697 -8.249 118 HB VAL 19 HB VAL 19 8.696 -5.501 -5.357 119 HG11 VAL 19 1HG1 VAL 19 11.101 -5.490 -4.771 120 HG12 VAL 19 2HG1 VAL 19 10.518 -7.079 -5.272 121 HG13 VAL 19 3HG1 VAL 19 11.467 -6.095 -6.386 122 HG21 VAL 19 1HG2 VAL 19 9.802 -3.410 -5.537 123 HG22 VAL 19 2HG2 VAL 19 10.555 -3.861 -7.066 124 HG23 VAL 19 3HG2 VAL 19 8.815 -3.582 -6.988 125 H LYS 20 H LYS 20 8.334 -8.031 -5.740 126 HA LYS 20 HA LYS 20 9.799 -10.117 -7.176 127 HB2 LYS 20 1HB LYS 20 11.307 -9.201 -5.421 128 HB3 LYS 20 2HB LYS 20 10.110 -9.634 -4.207 129 HG2 LYS 20 1HG LYS 20 10.406 -11.950 -4.612 130 HG3 LYS 20 2HG LYS 20 11.361 -11.640 -6.063 131 HD2 LYS 20 1HD LYS 20 12.839 -12.264 -4.266 132 HD3 LYS 20 2HD LYS 20 13.081 -10.557 -4.642 133 HE2 LYS 20 1HE LYS 20 11.526 -10.011 -2.760 134 HE3 LYS 20 2HE LYS 20 11.528 -11.722 -2.337 135 HZ1 LYS 20 1HZ LYS 20 14.089 -11.382 -2.332 136 HZ2 LYS 20 2HZ LYS 20 13.174 -10.908 -0.990 137 HZ3 LYS 20 3HZ LYS 20 13.695 -9.752 -2.110 138 H LYS 21 H LYS 21 8.766 -12.029 -7.207 139 HA LYS 21 HA LYS 21 6.266 -12.228 -5.684 140 HB2 LYS 21 1HB LYS 21 6.003 -12.458 -8.080 141 HB3 LYS 21 2HB LYS 21 7.236 -13.711 -8.133 142 HG2 LYS 21 1HG LYS 21 5.850 -15.286 -7.117 143 HG3 LYS 21 2HG LYS 21 4.742 -14.054 -6.510 144 HD2 LYS 21 1HD LYS 21 3.673 -15.148 -8.344 145 HD3 LYS 21 2HD LYS 21 4.151 -13.538 -8.890 146 HE2 LYS 21 1HE LYS 21 6.255 -14.642 -9.795 147 HE3 LYS 21 2HE LYS 21 5.445 -16.182 -9.511 148 HZ1 LYS 21 1HZ LYS 21 4.503 -13.994 -11.284 149 HZ2 LYS 21 2HZ LYS 21 3.630 -15.405 -10.952 150 HZ3 LYS 21 3HZ LYS 21 5.108 -15.497 -11.771 151 H GLU 22 H GLU 22 6.452 -13.281 -3.820 152 HA GLU 22 HA GLU 22 8.017 -15.774 -3.785 153 HB2 GLU 22 1HB GLU 22 8.034 -13.494 -1.848 154 HB3 GLU 22 2HB GLU 22 8.314 -15.125 -1.255 155 HG2 GLU 22 1HG GLU 22 9.902 -13.835 -3.460 156 HG3 GLU 22 2HG GLU 22 10.380 -13.845 -1.763 157 HA PRO 23 HA PRO 23 4.474 -17.770 -2.140 158 HB2 PRO 23 1HB PRO 23 5.593 -19.585 -0.459 159 HB3 PRO 23 2HB PRO 23 5.675 -19.727 -2.219 160 HG2 PRO 23 1HG PRO 23 7.732 -18.695 -0.303 161 HG3 PRO 23 2HG PRO 23 7.942 -19.765 -1.702 162 HD2 PRO 23 1HD PRO 23 8.506 -17.118 -1.793 163 HD3 PRO 23 2HD PRO 23 7.906 -18.016 -3.203 164 H ARG 24 H ARG 24 6.797 -16.430 0.119 165 HA ARG 24 HA ARG 24 4.597 -15.925 1.999 166 HB2 ARG 24 1HB ARG 24 7.382 -16.781 2.807 167 HB3 ARG 24 2HB ARG 24 6.049 -16.411 3.892 168 HG2 ARG 24 1HG ARG 24 4.964 -18.380 3.459 169 HG3 ARG 24 2HG ARG 24 5.686 -18.551 1.858 170 HD2 ARG 24 1HD ARG 24 7.681 -19.378 2.706 171 HD3 ARG 24 2HD ARG 24 7.398 -18.694 4.306 172 HE ARG 24 HE ARG 24 5.405 -20.516 4.021 173 HH11 ARG 24 2HH1 ARG 24 8.871 -20.648 3.725 174 HH12 ARG 24 1HH1 ARG 24 8.981 -22.304 4.222 175 HH21 ARG 24 2HH2 ARG 24 5.536 -22.696 4.677 176 HH22 ARG 24 1HH2 ARG 24 7.083 -23.469 4.763 177 H GLN 25 H GLN 25 5.893 -14.262 -0.034 178 HA GLN 25 HA GLN 25 6.298 -11.929 1.565 179 HB2 GLN 25 1HB GLN 25 8.547 -13.182 1.568 180 HB3 GLN 25 2HB GLN 25 8.663 -12.709 -0.122 181 HG2 GLN 25 1HG GLN 25 8.727 -10.418 0.418 182 HG3 GLN 25 2HG GLN 25 8.224 -10.720 2.081 183 HE21 GLN 25 1HE2 GLN 25 10.772 -9.900 0.244 184 HE22 GLN 25 2HE2 GLN 25 12.064 -10.477 1.234 185 H LEU 26 H LEU 26 6.282 -10.001 0.343 186 HA LEU 26 HA LEU 26 6.145 -10.147 -2.543 187 HB2 LEU 26 1HB LEU 26 3.757 -9.802 -0.819 188 HB3 LEU 26 2HB LEU 26 3.869 -8.792 -2.258 189 HG LEU 26 HG LEU 26 3.823 -11.807 -2.168 190 HD11 LEU 26 1HD1 LEU 26 1.843 -9.736 -3.091 191 HD12 LEU 26 2HD1 LEU 26 1.642 -10.929 -1.808 192 HD13 LEU 26 3HD1 LEU 26 1.727 -11.450 -3.490 193 HD21 LEU 26 1HD2 LEU 26 3.517 -11.184 -4.766 194 HD22 LEU 26 2HD2 LEU 26 5.071 -11.585 -4.035 195 HD23 LEU 26 3HD2 LEU 26 4.616 -9.897 -4.271 196 H GLU 27 H GLU 27 7.291 -8.470 -3.216 197 HA GLU 27 HA GLU 27 7.280 -6.010 -1.599 198 HB2 GLU 27 1HB GLU 27 9.467 -7.256 -1.951 199 HB3 GLU 27 2HB GLU 27 9.355 -6.794 -3.643 200 HG2 GLU 27 1HG GLU 27 9.656 -4.538 -3.178 201 HG3 GLU 27 2HG GLU 27 9.227 -4.734 -1.479 202 H LEU 28 H LEU 28 6.986 -4.019 -2.578 203 HA LEU 28 HA LEU 28 6.405 -3.956 -5.441 204 HB2 LEU 28 1HB LEU 28 4.509 -2.643 -3.532 205 HB3 LEU 28 2HB LEU 28 4.272 -3.041 -5.233 206 HG LEU 28 HG LEU 28 4.510 -5.164 -3.117 207 HD11 LEU 28 1HD1 LEU 28 2.318 -5.036 -2.563 208 HD12 LEU 28 2HD1 LEU 28 1.842 -4.382 -4.130 209 HD13 LEU 28 3HD1 LEU 28 2.584 -3.330 -2.924 210 HD21 LEU 28 1HD2 LEU 28 2.870 -5.473 -5.552 211 HD22 LEU 28 2HD2 LEU 28 3.928 -6.627 -4.738 212 HD23 LEU 28 3HD2 LEU 28 4.616 -5.390 -5.791 213 H THR 29 H THR 29 6.439 -1.833 -6.357 214 HA THR 29 HA THR 29 7.398 0.334 -4.655 215 HB THR 29 HB THR 29 9.428 -0.881 -5.462 216 HG1 THR 29 1HG THR 29 9.087 1.744 -6.527 217 HG21 THR 29 1HG2 THR 29 8.049 -0.973 -7.875 218 HG22 THR 29 2HG2 THR 29 9.730 -1.432 -7.606 219 HG23 THR 29 3HG2 THR 29 9.337 0.199 -8.149 220 H TRP 30 H TRP 30 6.716 2.298 -5.313 221 HA TRP 30 HA TRP 30 5.567 2.525 -8.013 222 HB2 TRP 30 1HB TRP 30 3.806 4.016 -6.988 223 HB3 TRP 30 2HB TRP 30 3.681 2.311 -6.566 224 HD1 TRP 30 HD TRP 30 4.368 5.729 -5.045 225 HE1 TRP 30 1HE TRP 30 4.370 5.518 -2.480 226 HE3 TRP 30 3HE TRP 30 4.191 0.635 -4.651 227 HZ2 TRP 30 2HZ TRP 30 4.305 3.463 -0.545 228 HZ3 TRP 30 3HZ TRP 30 4.165 -0.374 -2.407 229 HH2 TRP 30 HH TRP 30 4.221 1.012 -0.398 230 H ALA 31 H ALA 31 6.716 3.969 -9.104 231 HA ALA 31 HA ALA 31 7.499 6.457 -7.744 232 HB1 ALA 31 1HB ALA 31 9.425 4.859 -7.999 233 HB2 ALA 31 2HB ALA 31 9.260 5.058 -9.744 234 HB3 ALA 31 3HB ALA 31 9.656 6.447 -8.732 235 H GLY 32 H GLY 32 7.610 8.315 -9.068 236 HA2 GLY 32 1HA GLY 32 7.392 8.560 -11.774 237 HA3 GLY 32 2HA GLY 32 5.738 8.280 -11.252 238 H SER 33 H SER 33 8.281 10.090 -9.583 239 HA SER 33 HA SER 33 6.551 12.468 -9.741 240 HB2 SER 33 1HB SER 33 8.513 11.568 -7.629 241 HB3 SER 33 2HB SER 33 7.867 13.208 -7.685 242 HG SER 33 HG SER 33 6.579 11.969 -6.336 243 H ARG 34 H ARG 34 7.878 14.564 -9.451 244 HA ARG 34 HA ARG 34 10.118 14.446 -11.353 245 HB2 ARG 34 1HB ARG 34 9.641 16.834 -11.778 246 HB3 ARG 34 2HB ARG 34 8.264 15.800 -12.134 247 HG2 ARG 34 1HG ARG 34 7.457 16.391 -9.775 248 HG3 ARG 34 2HG ARG 34 8.646 17.693 -9.847 249 HD2 ARG 34 1HD ARG 34 6.779 17.366 -12.136 250 HD3 ARG 34 2HD ARG 34 6.143 18.038 -10.636 251 HE ARG 34 HE ARG 34 8.362 19.511 -11.055 252 HH11 ARG 34 2HH1 ARG 34 5.655 18.677 -13.079 253 HH12 ARG 34 1HH1 ARG 34 5.727 20.141 -14.002 254 HH21 ARG 34 2HH2 ARG 34 8.466 21.443 -12.263 255 HH22 ARG 34 1HH2 ARG 34 7.327 21.713 -13.538 256 HA PRO 35 HA PRO 35 12.950 15.672 -8.219 257 HB2 PRO 35 1HB PRO 35 14.837 16.868 -9.762 258 HB3 PRO 35 2HB PRO 35 14.610 15.116 -9.706 259 HG2 PRO 35 1HG PRO 35 13.635 17.090 -11.735 260 HG3 PRO 35 2HG PRO 35 14.351 15.487 -11.988 261 HD2 PRO 35 1HD PRO 35 11.682 15.925 -12.108 262 HD3 PRO 35 2HD PRO 35 12.373 14.393 -11.536 263 H ARG 36 H ARG 36 14.423 17.746 -7.790 264 HA ARG 36 HA ARG 36 14.496 19.920 -7.126 265 HB2 ARG 36 1HB ARG 36 14.140 20.198 -9.662 266 HB3 ARG 36 2HB ARG 36 12.471 20.572 -9.254 267 HG2 ARG 36 1HG ARG 36 13.412 22.355 -7.707 268 HG3 ARG 36 2HG ARG 36 14.952 22.092 -8.528 269 HD2 ARG 36 1HD ARG 36 12.444 22.646 -10.074 270 HD3 ARG 36 2HD ARG 36 13.394 23.960 -9.383 271 HE ARG 36 HE ARG 36 15.210 22.466 -10.763 272 HH11 ARG 36 2HH1 ARG 36 12.205 24.034 -11.560 273 HH12 ARG 36 1HH1 ARG 36 12.649 24.336 -13.207 274 HH21 ARG 36 2HH2 ARG 36 15.806 22.857 -12.930 275 HH22 ARG 36 1HH2 ARG 36 14.697 23.665 -13.986 276 H ASN 37 H ASN 37 12.668 18.160 -5.859 277 HA ASN 37 HA ASN 37 10.227 19.665 -5.411 278 HB2 ASN 37 1HB ASN 37 10.248 17.163 -5.518 279 HB3 ASN 37 2HB ASN 37 11.179 17.152 -4.023 280 HD21 ASN 37 1HD2 ASN 37 10.193 17.851 -2.101 281 HD22 ASN 37 2HD2 ASN 37 8.474 17.891 -1.938 282 HA PRO 38 HA PRO 38 11.765 21.958 -1.975 283 HB2 PRO 38 1HB PRO 38 9.391 22.590 -0.821 284 HB3 PRO 38 2HB PRO 38 9.971 23.354 -2.305 285 HG2 PRO 38 1HG PRO 38 8.005 21.122 -1.967 286 HG3 PRO 38 2HG PRO 38 7.928 22.527 -3.047 287 HD2 PRO 38 1HD PRO 38 8.680 20.071 -3.904 288 HD3 PRO 38 2HD PRO 38 9.333 21.568 -4.602 289 H GLY 39 H GLY 39 11.408 22.080 0.469 290 HA2 GLY 39 1HA GLY 39 11.947 19.588 1.621 291 HA3 GLY 39 2HA GLY 39 11.514 21.040 2.511 292 H GLY 40 H GLY 40 10.594 19.078 3.797 293 HA2 GLY 40 1HA GLY 40 8.523 18.505 4.730 294 HA3 GLY 40 2HA GLY 40 7.731 19.081 3.271 295 H ASN 41 H ASN 41 10.119 16.558 4.095 296 HA ASN 41 HA ASN 41 9.785 14.777 2.122 297 HB2 ASN 41 1HB ASN 41 10.066 14.311 5.079 298 HB3 ASN 41 2HB ASN 41 9.975 12.955 3.959 299 HD21 ASN 41 1HD2 ASN 41 12.083 12.356 4.563 300 HD22 ASN 41 2HD2 ASN 41 13.463 13.198 3.953 301 H LEU 42 H LEU 42 7.885 14.450 1.108 302 HA LEU 42 HA LEU 42 5.357 14.332 2.272 303 HB2 LEU 42 1HB LEU 42 6.519 13.388 -0.303 304 HB3 LEU 42 2HB LEU 42 4.891 12.871 0.133 305 HG LEU 42 HG LEU 42 5.648 15.776 0.082 306 HD11 LEU 42 1HD1 LEU 42 4.983 15.953 -2.187 307 HD12 LEU 42 2HD1 LEU 42 4.474 14.266 -2.240 308 HD13 LEU 42 3HD1 LEU 42 6.186 14.666 -2.108 309 HD21 LEU 42 1HD2 LEU 42 3.577 15.872 0.911 310 HD22 LEU 42 2HD2 LEU 42 3.235 14.193 0.494 311 HD23 LEU 42 3HD2 LEU 42 3.039 15.461 -0.717 312 H SER 43 H SER 43 3.966 12.196 1.829 313 HA SER 43 HA SER 43 5.389 9.854 2.858 314 HB2 SER 43 1HB SER 43 2.851 10.932 4.111 315 HB3 SER 43 2HB SER 43 3.711 9.469 4.592 316 HG SER 43 HG SER 43 5.537 11.235 4.725 317 H TYR 44 H TYR 44 3.668 7.971 3.035 318 HA TYR 44 HA TYR 44 1.688 8.095 0.906 319 HB2 TYR 44 1HB TYR 44 3.801 5.940 0.865 320 HB3 TYR 44 2HB TYR 44 2.561 6.255 -0.344 321 HD1 TYR 44 2HD TYR 44 2.696 8.463 -1.631 322 HD2 TYR 44 1HD TYR 44 5.918 6.921 0.680 323 HE1 TYR 44 2HE TYR 44 4.263 9.895 -2.872 324 HE2 TYR 44 1HE TYR 44 7.494 8.350 -0.554 325 HH TYR 44 HH TYR 44 7.702 10.014 -2.032 326 H GLU 45 H GLU 45 -0.050 6.849 1.314 327 HA GLU 45 HA GLU 45 0.023 5.220 3.747 328 HB2 GLU 45 1HB GLU 45 -1.687 6.965 3.656 329 HB3 GLU 45 2HB GLU 45 -2.319 6.287 2.162 330 HG2 GLU 45 1HG GLU 45 -3.792 5.412 3.657 331 HG3 GLU 45 2HG GLU 45 -2.585 4.128 3.627 332 H LEU 46 H LEU 46 0.140 3.088 3.596 333 HA LEU 46 HA LEU 46 -0.569 1.808 1.050 334 HB2 LEU 46 1HB LEU 46 1.731 1.602 2.339 335 HB3 LEU 46 2HB LEU 46 0.852 0.354 3.221 336 HG LEU 46 HG LEU 46 2.287 -0.415 1.281 337 HD11 LEU 46 1HD1 LEU 46 1.025 -2.235 1.379 338 HD12 LEU 46 2HD1 LEU 46 -0.266 -1.445 0.475 339 HD13 LEU 46 3HD1 LEU 46 -0.198 -1.293 2.230 340 HD21 LEU 46 1HD2 LEU 46 0.116 0.197 -0.598 341 HD22 LEU 46 2HD2 LEU 46 1.863 0.189 -0.841 342 HD23 LEU 46 3HD2 LEU 46 1.082 1.585 -0.098 343 H HIS 47 H HIS 47 -2.150 0.317 0.911 344 HA HIS 47 HA HIS 47 -3.350 -0.706 3.385 345 HB2 HIS 47 1HB HIS 47 -4.673 1.252 2.613 346 HB3 HIS 47 2HB HIS 47 -4.950 0.428 1.081 347 HD1 HIS 47 1HD HIS 47 -7.524 0.570 1.640 348 HD2 HIS 47 2HD HIS 47 -5.283 -1.807 4.207 349 HE1 HIS 47 1HE HIS 47 -9.198 -0.816 2.905 350 HE2 HIS 47 2HE HIS 47 -7.824 -2.185 4.512 351 H VAL 48 H VAL 48 -3.179 -2.840 3.275 352 HA VAL 48 HA VAL 48 -3.422 -4.155 0.655 353 HB VAL 48 HB VAL 48 -2.140 -5.101 3.219 354 HG11 VAL 48 1HG1 VAL 48 -2.998 -6.582 0.797 355 HG12 VAL 48 2HG1 VAL 48 -1.428 -6.994 1.491 356 HG13 VAL 48 3HG1 VAL 48 -2.888 -7.116 2.474 357 HG21 VAL 48 1HG2 VAL 48 -0.328 -5.316 1.156 358 HG22 VAL 48 2HG2 VAL 48 -1.182 -3.818 0.787 359 HG23 VAL 48 3HG2 VAL 48 -0.389 -4.019 2.349 360 H LEU 49 H LEU 49 -4.938 -5.699 0.287 361 HA LEU 49 HA LEU 49 -6.707 -6.436 2.519 362 HB2 LEU 49 1HB LEU 49 -7.534 -5.682 -0.279 363 HB3 LEU 49 2HB LEU 49 -8.612 -6.347 0.946 364 HG LEU 49 HG LEU 49 -7.895 -4.268 2.334 365 HD11 LEU 49 1HD1 LEU 49 -6.111 -3.508 0.894 366 HD12 LEU 49 2HD1 LEU 49 -7.406 -2.312 0.917 367 HD13 LEU 49 3HD1 LEU 49 -7.223 -3.386 -0.470 368 HD21 LEU 49 1HD2 LEU 49 -9.749 -3.026 1.448 369 HD22 LEU 49 2HD2 LEU 49 -10.148 -4.744 1.403 370 HD23 LEU 49 3HD2 LEU 49 -9.670 -3.910 -0.076 371 H ASN 50 H ASN 50 -7.436 -8.525 2.554 372 HA ASN 50 HA ASN 50 -6.534 -10.282 0.369 373 HB2 ASN 50 1HB ASN 50 -5.165 -10.410 2.526 374 HB3 ASN 50 2HB ASN 50 -6.596 -11.123 3.265 375 HD21 ASN 50 1HD2 ASN 50 -5.265 -12.978 3.640 376 HD22 ASN 50 2HD2 ASN 50 -5.006 -14.126 2.375 377 H GLN 51 H GLN 51 -7.641 -12.551 0.696 378 HA GLN 51 HA GLN 51 -10.272 -12.391 0.039 379 HB2 GLN 51 1HB GLN 51 -8.709 -14.565 1.394 380 HB3 GLN 51 2HB GLN 51 -10.425 -14.773 1.073 381 HG2 GLN 51 1HG GLN 51 -9.798 -14.107 -1.349 382 HG3 GLN 51 2HG GLN 51 -8.159 -14.528 -0.854 383 HE21 GLN 51 1HE2 GLN 51 -11.069 -15.677 -2.047 384 HE22 GLN 51 2HE2 GLN 51 -10.778 -17.369 -1.856 385 H ASP 52 H ASP 52 -9.122 -13.213 3.316 386 HA ASP 52 HA ASP 52 -11.539 -11.926 4.389 387 HB2 ASP 52 1HB ASP 52 -10.554 -14.698 4.837 388 HB3 ASP 52 2HB ASP 52 -11.219 -13.842 6.226 389 H GLU 53 H GLU 53 -8.778 -10.993 4.107 390 HA GLU 53 HA GLU 53 -8.353 -10.254 6.895 391 HB2 GLU 53 1HB GLU 53 -6.368 -11.718 5.188 392 HB3 GLU 53 2HB GLU 53 -5.810 -10.594 6.419 393 HG2 GLU 53 1HG GLU 53 -7.754 -12.753 7.113 394 HG3 GLU 53 2HG GLU 53 -6.029 -13.099 6.993 395 H GLU 54 H GLU 54 -8.387 -8.112 6.884 396 HA GLU 54 HA GLU 54 -7.095 -6.698 4.644 397 HB2 GLU 54 1HB GLU 54 -9.250 -5.998 4.357 398 HB3 GLU 54 2HB GLU 54 -9.670 -6.244 6.046 399 HG2 GLU 54 1HG GLU 54 -7.777 -4.057 5.397 400 HG3 GLU 54 2HG GLU 54 -9.474 -3.836 4.978 401 H TRP 55 H TRP 55 -5.423 -5.445 5.143 402 HA TRP 55 HA TRP 55 -5.241 -4.238 7.794 403 HB2 TRP 55 1HB TRP 55 -3.094 -5.098 8.300 404 HB3 TRP 55 2HB TRP 55 -4.040 -6.488 7.775 405 HD1 TRP 55 HD TRP 55 -1.333 -4.083 6.420 406 HE1 TRP 55 1HE TRP 55 0.010 -5.329 4.613 407 HE3 TRP 55 3HE TRP 55 -4.045 -8.413 6.235 408 HZ2 TRP 55 2HZ TRP 55 -0.070 -7.819 3.284 409 HZ3 TRP 55 3HZ TRP 55 -3.345 -10.177 4.669 410 HH2 TRP 55 HH TRP 55 -1.399 -9.883 3.224 411 H HIS 56 H HIS 56 -3.938 -2.391 7.886 412 HA HIS 56 HA HIS 56 -2.870 -1.445 5.312 413 HB2 HIS 56 1HB HIS 56 -3.636 0.885 6.170 414 HB3 HIS 56 2HB HIS 56 -4.829 -0.188 5.445 415 HD1 HIS 56 1HD HIS 56 -6.708 1.035 6.772 416 HD2 HIS 56 2HD HIS 56 -3.880 -0.872 9.144 417 HE1 HIS 56 1HE HIS 56 -7.709 0.954 9.077 418 HE2 HIS 56 2HE HIS 56 -5.945 -0.128 10.513 419 H GLN 57 H GLN 57 -1.158 0.101 5.459 420 HA GLN 57 HA GLN 57 0.007 0.678 8.035 421 HB2 GLN 57 1HB GLN 57 2.131 -0.421 7.623 422 HB3 GLN 57 2HB GLN 57 0.831 -1.605 7.584 423 HG2 GLN 57 1HG GLN 57 0.859 -1.353 5.068 424 HG3 GLN 57 2HG GLN 57 2.364 -0.459 5.273 425 HE21 GLN 57 1HE2 GLN 57 4.220 -1.543 5.653 426 HE22 GLN 57 2HE2 GLN 57 4.340 -3.264 5.740 427 H MET 58 H MET 58 0.513 2.751 7.855 428 HA MET 58 HA MET 58 0.952 4.017 5.334 429 HB2 MET 58 1HB MET 58 0.020 4.953 7.629 430 HB3 MET 58 2HB MET 58 1.714 5.344 7.896 431 HG2 MET 58 1HG MET 58 1.684 6.549 5.701 432 HG3 MET 58 2HG MET 58 -0.061 6.307 5.671 433 HE1 MET 58 1HE MET 58 2.373 9.222 8.159 434 HE2 MET 58 2HE MET 58 2.957 7.757 7.368 435 HE3 MET 58 3HE MET 58 2.401 9.122 6.398 436 H VAL 59 H VAL 59 2.791 4.241 4.247 437 HA VAL 59 HA VAL 59 5.326 3.781 5.681 438 HB VAL 59 HB VAL 59 6.275 2.977 3.571 439 HG11 VAL 59 1HG1 VAL 59 5.566 0.871 3.928 440 HG12 VAL 59 2HG1 VAL 59 4.666 1.599 5.260 441 HG13 VAL 59 3HG1 VAL 59 3.868 1.296 3.716 442 HG21 VAL 59 1HG2 VAL 59 4.806 4.295 2.076 443 HG22 VAL 59 2HG2 VAL 59 4.908 2.595 1.618 444 HG23 VAL 59 3HG2 VAL 59 3.479 3.197 2.459 445 H LEU 60 H LEU 60 7.039 5.151 5.311 446 HA LEU 60 HA LEU 60 6.349 7.701 4.062 447 HB2 LEU 60 1HB LEU 60 8.783 7.004 5.694 448 HB3 LEU 60 2HB LEU 60 8.234 8.616 5.238 449 HG LEU 60 HG LEU 60 6.451 6.905 6.909 450 HD11 LEU 60 1HD1 LEU 60 7.545 7.377 8.906 451 HD12 LEU 60 2HD1 LEU 60 8.568 8.609 8.169 452 HD13 LEU 60 3HD1 LEU 60 8.853 6.904 7.822 453 HD21 LEU 60 1HD2 LEU 60 6.754 9.724 6.166 454 HD22 LEU 60 2HD2 LEU 60 6.402 9.449 7.872 455 HD23 LEU 60 3HD2 LEU 60 5.314 8.819 6.634 456 H GLU 61 H GLU 61 7.255 5.083 2.717 457 HA GLU 61 HA GLU 61 9.179 6.383 0.931 458 HB2 GLU 61 1HB GLU 61 10.556 4.383 0.802 459 HB3 GLU 61 2HB GLU 61 10.477 4.958 2.462 460 HG2 GLU 61 1HG GLU 61 8.500 3.240 2.624 461 HG3 GLU 61 2HG GLU 61 9.318 2.507 1.245 462 HA PRO 62 HA PRO 62 6.651 4.792 -2.287 463 HB2 PRO 62 1HB PRO 62 8.477 4.501 -4.275 464 HB3 PRO 62 2HB PRO 62 7.894 6.078 -3.728 465 HG2 PRO 62 1HG PRO 62 10.429 4.648 -3.027 466 HG3 PRO 62 2HG PRO 62 10.182 6.360 -3.415 467 HD2 PRO 62 1HD PRO 62 10.438 5.466 -0.873 468 HD3 PRO 62 2HD PRO 62 9.427 6.862 -1.296 469 H ARG 63 H ARG 63 8.833 2.917 -0.664 470 HA ARG 63 HA ARG 63 8.170 0.532 -2.265 471 HB2 ARG 63 1HB ARG 63 10.235 -0.477 -1.582 472 HB3 ARG 63 2HB ARG 63 10.600 1.123 -2.215 473 HG2 ARG 63 1HG ARG 63 10.846 1.999 0.018 474 HG3 ARG 63 2HG ARG 63 10.353 0.451 0.708 475 HD2 ARG 63 1HD ARG 63 12.329 -0.601 0.073 476 HD3 ARG 63 2HD ARG 63 12.699 0.619 -1.144 477 HE ARG 63 HE ARG 63 12.781 1.994 1.196 478 HH11 ARG 63 2HH1 ARG 63 14.323 -0.901 0.030 479 HH12 ARG 63 1HH1 ARG 63 15.751 -0.682 0.986 480 HH21 ARG 63 2HH2 ARG 63 14.655 2.294 2.460 481 HH22 ARG 63 1HH2 ARG 63 15.938 1.135 2.369 482 H VAL 64 H VAL 64 7.968 -1.481 -1.020 483 HA VAL 64 HA VAL 64 7.504 -1.293 1.820 484 HB VAL 64 HB VAL 64 5.375 -0.433 0.986 485 HG11 VAL 64 1HG1 VAL 64 3.903 -1.804 -0.385 486 HG12 VAL 64 2HG1 VAL 64 5.422 -1.491 -1.226 487 HG13 VAL 64 3HG1 VAL 64 5.136 -3.061 -0.476 488 HG21 VAL 64 1HG2 VAL 64 4.033 -2.664 1.809 489 HG22 VAL 64 2HG2 VAL 64 5.638 -2.931 2.490 490 HG23 VAL 64 3HG2 VAL 64 4.749 -1.459 2.880 491 H LEU 65 H LEU 65 7.851 -3.208 2.788 492 HA LEU 65 HA LEU 65 8.028 -5.588 1.060 493 HB2 LEU 65 1HB LEU 65 10.129 -4.551 2.205 494 HB3 LEU 65 2HB LEU 65 9.501 -5.343 3.649 495 HG LEU 65 HG LEU 65 11.217 -6.694 2.575 496 HD11 LEU 65 1HD1 LEU 65 9.888 -8.781 2.286 497 HD12 LEU 65 2HD1 LEU 65 8.423 -7.805 2.396 498 HD13 LEU 65 3HD1 LEU 65 9.529 -7.893 3.768 499 HD21 LEU 65 1HD2 LEU 65 9.585 -7.408 0.249 500 HD22 LEU 65 2HD2 LEU 65 11.322 -7.135 0.378 501 HD23 LEU 65 3HD2 LEU 65 10.223 -5.764 0.217 502 H LEU 66 H LEU 66 6.346 -6.878 1.397 503 HA LEU 66 HA LEU 66 5.172 -7.037 4.079 504 HB2 LEU 66 1HB LEU 66 4.080 -8.166 1.512 505 HB3 LEU 66 2HB LEU 66 3.230 -7.971 3.043 506 HG LEU 66 HG LEU 66 4.256 -5.617 1.481 507 HD11 LEU 66 1HD1 LEU 66 1.890 -7.315 0.981 508 HD12 LEU 66 2HD1 LEU 66 2.831 -6.320 -0.129 509 HD13 LEU 66 3HD1 LEU 66 1.642 -5.570 0.936 510 HD21 LEU 66 1HD2 LEU 66 3.305 -4.388 3.075 511 HD22 LEU 66 2HD2 LEU 66 3.174 -5.874 4.016 512 HD23 LEU 66 3HD2 LEU 66 1.819 -5.336 3.023 513 H THR 67 H THR 67 5.306 -8.822 5.297 514 HA THR 67 HA THR 67 6.357 -11.277 4.053 515 HB THR 67 HB THR 67 7.644 -11.750 6.073 516 HG1 THR 67 1HG THR 67 6.451 -9.337 6.946 517 HG21 THR 67 1HG2 THR 67 9.412 -10.205 5.733 518 HG22 THR 67 2HG2 THR 67 8.303 -8.946 5.189 519 HG23 THR 67 3HG2 THR 67 8.595 -10.361 4.179 520 H LYS 68 H LYS 68 6.109 -13.161 5.751 521 HA LYS 68 HA LYS 68 4.688 -14.588 6.808 522 HB2 LYS 68 1HB LYS 68 3.952 -11.937 7.958 523 HB3 LYS 68 2HB LYS 68 2.892 -13.302 8.284 524 HG2 LYS 68 1HG LYS 68 4.453 -14.391 9.556 525 HG3 LYS 68 2HG LYS 68 5.816 -13.621 8.738 526 HD2 LYS 68 1HD LYS 68 5.748 -12.660 10.889 527 HD3 LYS 68 2HD LYS 68 5.040 -11.452 9.813 528 HE2 LYS 68 1HE LYS 68 2.787 -12.337 10.445 529 HE3 LYS 68 2HE LYS 68 3.584 -13.350 11.647 530 HZ1 LYS 68 1HZ LYS 68 3.022 -10.521 11.706 531 HZ2 LYS 68 2HZ LYS 68 4.590 -10.920 12.198 532 HZ3 LYS 68 3HZ LYS 68 3.257 -11.605 12.983 533 H LEU 69 H LEU 69 4.082 -13.992 4.163 534 HA LEU 69 HA LEU 69 1.164 -13.720 4.093 535 HB2 LEU 69 1HB LEU 69 3.047 -13.838 1.750 536 HB3 LEU 69 2HB LEU 69 1.368 -13.301 1.758 537 HG LEU 69 HG LEU 69 3.559 -11.846 3.223 538 HD11 LEU 69 1HD1 LEU 69 2.786 -10.385 0.963 539 HD12 LEU 69 2HD1 LEU 69 3.107 -12.024 0.396 540 HD13 LEU 69 3HD1 LEU 69 4.350 -11.137 1.278 541 HD21 LEU 69 1HD2 LEU 69 1.744 -9.995 2.675 542 HD22 LEU 69 2HD2 LEU 69 1.629 -11.018 4.106 543 HD23 LEU 69 3HD2 LEU 69 0.676 -11.398 2.671 544 H GLN 70 H GLN 70 0.007 -15.159 2.525 545 HA GLN 70 HA GLN 70 0.897 -17.910 2.945 546 HB2 GLN 70 1HB GLN 70 -1.762 -16.773 2.072 547 HB3 GLN 70 2HB GLN 70 -1.426 -18.493 2.225 548 HG2 GLN 70 1HG GLN 70 -1.030 -16.625 4.530 549 HG3 GLN 70 2HG GLN 70 -2.616 -17.297 4.153 550 HE21 GLN 70 1HE2 GLN 70 -2.834 -19.614 4.146 551 HE22 GLN 70 2HE2 GLN 70 -1.825 -20.573 5.169 552 HA PRO 71 HA PRO 71 2.163 -18.419 -1.242 553 HB2 PRO 71 1HB PRO 71 1.995 -21.124 -1.399 554 HB3 PRO 71 2HB PRO 71 3.279 -20.291 -0.515 555 HG2 PRO 71 1HG PRO 71 0.768 -21.544 0.527 556 HG3 PRO 71 2HG PRO 71 2.412 -21.619 1.186 557 HD2 PRO 71 1HD PRO 71 0.519 -19.959 2.182 558 HD3 PRO 71 2HD PRO 71 2.245 -19.545 2.178 559 H ASP 72 H ASP 72 1.259 -18.584 -3.243 560 HA ASP 72 HA ASP 72 -0.372 -18.649 -4.829 561 HB2 ASP 72 1HB ASP 72 -0.190 -21.038 -4.614 562 HB3 ASP 72 2HB ASP 72 -1.193 -21.035 -3.167 563 H THR 73 H THR 73 -0.875 -16.658 -3.192 564 HA THR 73 HA THR 73 -3.791 -16.724 -2.894 565 HB THR 73 HB THR 73 -1.944 -15.560 -0.801 566 HG1 THR 73 1HG THR 73 -3.710 -17.686 -0.300 567 HG21 THR 73 1HG2 THR 73 -4.934 -15.934 -0.688 568 HG22 THR 73 2HG2 THR 73 -4.162 -14.422 -1.167 569 HG23 THR 73 3HG2 THR 73 -3.909 -15.066 0.455 570 H THR 74 H THR 74 -4.803 -14.912 -3.568 571 HA THR 74 HA THR 74 -3.208 -12.892 -4.881 572 HB THR 74 HB THR 74 -6.216 -13.005 -4.611 573 HG1 THR 74 1HG THR 74 -5.958 -14.716 -5.845 574 HG21 THR 74 1HG2 THR 74 -4.921 -10.862 -5.358 575 HG22 THR 74 2HG2 THR 74 -6.331 -11.397 -6.272 576 HG23 THR 74 3HG2 THR 74 -4.709 -11.748 -6.867 577 H TYR 75 H TYR 75 -2.451 -11.177 -3.843 578 HA TYR 75 HA TYR 75 -3.983 -10.119 -1.560 579 HB2 TYR 75 1HB TYR 75 -1.024 -10.157 -2.127 580 HB3 TYR 75 2HB TYR 75 -1.728 -9.076 -0.930 581 HD1 TYR 75 2HD TYR 75 -2.986 -10.085 1.018 582 HD2 TYR 75 1HD TYR 75 -0.588 -12.415 -1.613 583 HE1 TYR 75 2HE TYR 75 -2.896 -11.879 2.698 584 HE2 TYR 75 1HE TYR 75 -0.493 -14.216 0.059 585 HH TYR 75 HH TYR 75 -2.484 -14.221 2.870 586 H ILE 76 H ILE 76 -4.980 -8.262 -1.918 587 HA ILE 76 HA ILE 76 -4.284 -6.636 -4.213 588 HB ILE 76 HB ILE 76 -6.426 -6.114 -2.152 589 HG12 ILE 76 1HG1 ILE 76 -6.697 -8.334 -3.227 590 HG13 ILE 76 2HG1 ILE 76 -7.983 -7.213 -3.661 591 HG21 ILE 76 1HG2 ILE 76 -5.823 -5.003 -4.873 592 HG22 ILE 76 2HG2 ILE 76 -7.437 -4.909 -4.171 593 HG23 ILE 76 3HG2 ILE 76 -6.075 -4.140 -3.356 594 HD11 ILE 76 1HD1 ILE 76 -5.600 -7.899 -5.365 595 HD12 ILE 76 2HD1 ILE 76 -7.242 -8.510 -5.577 596 HD13 ILE 76 3HD1 ILE 76 -6.903 -6.794 -5.801 597 H VAL 77 H VAL 77 -3.255 -4.723 -4.187 598 HA VAL 77 HA VAL 77 -2.685 -3.481 -1.580 599 HB VAL 77 HB VAL 77 -0.682 -3.648 -3.830 600 HG11 VAL 77 1HG1 VAL 77 0.607 -2.285 -2.624 601 HG12 VAL 77 2HG1 VAL 77 -0.834 -1.936 -1.665 602 HG13 VAL 77 3HG1 VAL 77 0.298 -3.182 -1.138 603 HG21 VAL 77 1HG2 VAL 77 -0.340 -5.763 -3.214 604 HG22 VAL 77 2HG2 VAL 77 0.308 -5.118 -1.706 605 HG23 VAL 77 3HG2 VAL 77 -1.385 -5.601 -1.803 606 H ARG 78 H ARG 78 -2.601 -1.251 -1.538 607 HA ARG 78 HA ARG 78 -2.825 0.260 -4.001 608 HB2 ARG 78 1HB ARG 78 -4.900 1.436 -3.143 609 HB3 ARG 78 2HB ARG 78 -5.133 -0.204 -3.733 610 HG2 ARG 78 1HG ARG 78 -4.893 -0.915 -1.284 611 HG3 ARG 78 2HG ARG 78 -5.142 0.791 -0.910 612 HD2 ARG 78 1HD ARG 78 -7.034 -0.615 -2.743 613 HD3 ARG 78 2HD ARG 78 -7.172 -0.851 -1.002 614 HE ARG 78 HE ARG 78 -7.058 1.909 -1.834 615 HH11 ARG 78 2HH1 ARG 78 -9.101 -0.830 -1.167 616 HH12 ARG 78 1HH1 ARG 78 -10.511 0.130 -0.865 617 HH21 ARG 78 2HH2 ARG 78 -8.908 3.184 -1.438 618 HH22 ARG 78 1HH2 ARG 78 -10.400 2.413 -1.020 619 H VAL 79 H VAL 79 -1.563 1.976 -3.781 620 HA VAL 79 HA VAL 79 -1.187 3.111 -1.085 621 HB VAL 79 HB VAL 79 0.846 2.033 -2.036 622 HG11 VAL 79 1HG1 VAL 79 1.632 4.072 -3.853 623 HG12 VAL 79 2HG1 VAL 79 1.416 2.347 -4.157 624 HG13 VAL 79 3HG1 VAL 79 0.059 3.455 -4.358 625 HG21 VAL 79 1HG2 VAL 79 0.672 4.883 -1.254 626 HG22 VAL 79 2HG2 VAL 79 1.514 3.543 -0.476 627 HG23 VAL 79 3HG2 VAL 79 2.215 4.320 -1.896 628 H ARG 80 H ARG 80 -1.206 5.329 -0.837 629 HA ARG 80 HA ARG 80 -1.717 6.978 -3.201 630 HB2 ARG 80 1HB ARG 80 -3.639 8.049 -2.190 631 HB3 ARG 80 2HB ARG 80 -3.917 6.316 -2.286 632 HG2 ARG 80 1HG ARG 80 -4.643 6.688 -0.170 633 HG3 ARG 80 2HG ARG 80 -2.937 6.388 0.169 634 HD2 ARG 80 1HD ARG 80 -3.234 8.325 1.343 635 HD3 ARG 80 2HD ARG 80 -2.758 8.989 -0.219 636 HE ARG 80 HE ARG 80 -4.855 9.877 -0.438 637 HH11 ARG 80 2HH1 ARG 80 -4.900 7.458 2.065 638 HH12 ARG 80 1HH1 ARG 80 -6.515 7.826 2.573 639 HH21 ARG 80 2HH2 ARG 80 -6.982 10.371 0.221 640 HH22 ARG 80 1HH2 ARG 80 -7.699 9.483 1.522 641 H THR 81 H THR 81 -0.769 8.933 -3.116 642 HA THR 81 HA THR 81 1.081 9.501 -1.038 643 HB THR 81 HB THR 81 0.116 11.314 -3.258 644 HG1 THR 81 1HG THR 81 1.110 9.661 -4.271 645 HG21 THR 81 1HG2 THR 81 1.438 12.891 -2.409 646 HG22 THR 81 2HG2 THR 81 2.811 11.783 -2.437 647 HG23 THR 81 3HG2 THR 81 1.762 11.852 -1.021 648 H LEU 82 H LEU 82 0.898 10.732 0.737 649 HA LEU 82 HA LEU 82 -1.712 11.793 1.411 650 HB2 LEU 82 1HB LEU 82 0.800 11.192 2.866 651 HB3 LEU 82 2HB LEU 82 -0.242 12.446 3.536 652 HG LEU 82 HG LEU 82 -0.825 10.472 4.665 653 HD11 LEU 82 1HD1 LEU 82 -2.665 11.840 3.207 654 HD12 LEU 82 2HD1 LEU 82 -3.046 10.594 4.395 655 HD13 LEU 82 3HD1 LEU 82 -2.964 10.183 2.683 656 HD21 LEU 82 1HD2 LEU 82 -1.644 8.679 2.623 657 HD22 LEU 82 2HD2 LEU 82 -0.371 8.471 3.826 658 HD23 LEU 82 3HD2 LEU 82 0.001 9.204 2.265 659 H THR 83 H THR 83 -2.215 13.923 1.775 660 HA THR 83 HA THR 83 -0.138 15.941 1.347 661 HB THR 83 HB THR 83 -1.219 17.076 -0.368 662 HG1 THR 83 1HG THR 83 -3.307 17.190 0.382 663 HG21 THR 83 1HG2 THR 83 -0.545 14.498 -0.814 664 HG22 THR 83 2HG2 THR 83 -1.101 15.597 -2.077 665 HG23 THR 83 3HG2 THR 83 -2.233 14.475 -1.322 666 HA PRO 84 HA PRO 84 -2.154 18.077 4.614 667 HB2 PRO 84 1HB PRO 84 -1.540 20.647 3.992 668 HB3 PRO 84 2HB PRO 84 -0.351 19.501 4.624 669 HG2 PRO 84 1HG PRO 84 -0.844 20.354 1.796 670 HG3 PRO 84 2HG PRO 84 0.697 20.123 2.643 671 HD2 PRO 84 1HD PRO 84 -0.327 18.274 0.950 672 HD3 PRO 84 2HD PRO 84 0.650 17.835 2.366 673 H LEU 85 H LEU 85 -2.760 19.258 1.332 674 HA LEU 85 HA LEU 85 -5.501 19.940 2.167 675 HB2 LEU 85 1HB LEU 85 -3.667 21.398 0.283 676 HB3 LEU 85 2HB LEU 85 -5.411 21.654 0.298 677 HG LEU 85 HG LEU 85 -3.511 22.205 2.577 678 HD11 LEU 85 1HD1 LEU 85 -3.317 24.281 1.810 679 HD12 LEU 85 2HD1 LEU 85 -5.057 24.424 1.564 680 HD13 LEU 85 3HD1 LEU 85 -4.045 23.714 0.307 681 HD21 LEU 85 1HD2 LEU 85 -5.835 23.455 3.193 682 HD22 LEU 85 2HD2 LEU 85 -5.361 21.872 3.809 683 HD23 LEU 85 3HD2 LEU 85 -6.436 21.990 2.415 684 H GLY 86 H GLY 86 -6.397 18.008 1.487 685 HA2 GLY 86 1HA GLY 86 -7.597 16.819 -0.108 686 HA3 GLY 86 2HA GLY 86 -6.862 17.812 -1.358 687 HA PRO 87 HA PRO 87 -3.900 14.098 -0.276 688 HB2 PRO 87 1HB PRO 87 -5.193 11.924 0.711 689 HB3 PRO 87 2HB PRO 87 -4.484 13.170 1.744 690 HG2 PRO 87 1HG PRO 87 -7.333 12.805 0.901 691 HG3 PRO 87 2HG PRO 87 -6.683 13.223 2.497 692 HD2 PRO 87 1HD PRO 87 -7.727 15.073 0.819 693 HD3 PRO 87 2HD PRO 87 -6.401 15.442 1.940 694 H GLY 88 H GLY 88 -3.379 12.697 -1.889 695 HA2 GLY 88 1HA GLY 88 -4.959 12.494 -4.173 696 HA3 GLY 88 2HA GLY 88 -3.583 11.463 -3.813 697 HA PRO 89 HA PRO 89 -7.804 9.220 -3.547 698 HB2 PRO 89 1HB PRO 89 -7.859 8.076 -6.009 699 HB3 PRO 89 2HB PRO 89 -8.588 9.649 -5.664 700 HG2 PRO 89 1HG PRO 89 -5.942 9.021 -6.914 701 HG3 PRO 89 2HG PRO 89 -7.139 10.242 -7.383 702 HD2 PRO 89 1HD PRO 89 -4.919 10.852 -5.958 703 HD3 PRO 89 2HD PRO 89 -6.452 11.723 -5.756 704 H PHE 90 H PHE 90 -8.084 6.842 -3.718 705 HA PHE 90 HA PHE 90 -5.595 5.515 -3.032 706 HB2 PHE 90 1HB PHE 90 -8.496 4.910 -2.703 707 HB3 PHE 90 2HB PHE 90 -7.370 3.557 -2.727 708 HD1 PHE 90 2HD PHE 90 -5.422 3.610 -1.084 709 HD2 PHE 90 1HD PHE 90 -8.822 6.151 -0.766 710 HE1 PHE 90 2HE PHE 90 -4.904 4.000 1.289 711 HE2 PHE 90 1HE PHE 90 -8.308 6.546 1.608 712 HZ PHE 90 HZ PHE 90 -6.348 5.469 2.639 713 H SER 91 H SER 91 -4.406 4.579 -4.545 714 HA SER 91 HA SER 91 -4.896 4.243 -7.176 715 HB2 SER 91 1HB SER 91 -3.017 2.908 -7.273 716 HB3 SER 91 2HB SER 91 -2.804 3.617 -5.673 717 HG SER 91 HG SER 91 -2.806 1.118 -6.162 718 HA PRO 92 HA PRO 92 -7.947 1.159 -7.834 719 HB2 PRO 92 1HB PRO 92 -7.065 0.015 -10.133 720 HB3 PRO 92 2HB PRO 92 -7.775 1.633 -10.076 721 HG2 PRO 92 1HG PRO 92 -4.892 0.831 -10.157 722 HG3 PRO 92 2HG PRO 92 -5.718 2.126 -11.043 723 HD2 PRO 92 1HD PRO 92 -4.238 2.593 -8.824 724 HD3 PRO 92 2HD PRO 92 -5.665 3.563 -9.242 725 H ASP 93 H ASP 93 -8.348 -0.854 -7.125 726 HA ASP 93 HA ASP 93 -6.646 -2.412 -5.721 727 HB2 ASP 93 1HB ASP 93 -8.141 -4.365 -6.316 728 HB3 ASP 93 2HB ASP 93 -8.970 -2.940 -5.695 729 H HIS 94 H HIS 94 -4.687 -3.102 -6.275 730 HA HIS 94 HA HIS 94 -4.139 -3.940 -9.009 731 HB2 HIS 94 1HB HIS 94 -2.485 -3.208 -6.640 732 HB3 HIS 94 2HB HIS 94 -1.775 -4.285 -7.838 733 HD1 HIS 94 1HD HIS 94 -3.522 -0.903 -7.784 734 HD2 HIS 94 2HD HIS 94 -0.575 -2.962 -9.865 735 HE1 HIS 94 1HE HIS 94 -2.583 0.750 -9.430 736 HE2 HIS 94 2HE HIS 94 -0.860 -0.543 -10.736 737 H GLU 95 H GLU 95 -4.814 -5.954 -9.442 738 HA GLU 95 HA GLU 95 -4.949 -8.041 -7.527 739 HB2 GLU 95 1HB GLU 95 -6.290 -7.814 -9.687 740 HB3 GLU 95 2HB GLU 95 -4.861 -8.416 -10.517 741 HG2 GLU 95 1HG GLU 95 -5.051 -10.351 -8.752 742 HG3 GLU 95 2HG GLU 95 -6.733 -9.827 -8.691 743 H PHE 96 H PHE 96 -3.167 -8.817 -6.594 744 HA PHE 96 HA PHE 96 -0.898 -9.531 -8.334 745 HB2 PHE 96 1HB PHE 96 -0.899 -8.453 -5.516 746 HB3 PHE 96 2HB PHE 96 0.506 -9.242 -6.227 747 HD1 PHE 96 1HD PHE 96 0.645 -8.249 -8.903 748 HD2 PHE 96 2HD PHE 96 -0.491 -6.202 -5.349 749 HE1 PHE 96 1HE PHE 96 1.330 -6.115 -9.918 750 HE2 PHE 96 2HE PHE 96 0.191 -4.064 -6.358 751 HZ PHE 96 HZ PHE 96 1.102 -4.018 -8.645 752 H ARG 97 H ARG 97 0.110 -11.501 -7.989 753 HA ARG 97 HA ARG 97 -1.245 -13.318 -6.105 754 HB2 ARG 97 1HB ARG 97 -1.731 -13.682 -8.582 755 HB3 ARG 97 2HB ARG 97 -0.049 -14.173 -8.736 756 HG2 ARG 97 1HG ARG 97 -0.369 -16.042 -7.320 757 HG3 ARG 97 2HG ARG 97 -1.959 -15.468 -6.813 758 HD2 ARG 97 1HD ARG 97 -1.368 -16.076 -9.689 759 HD3 ARG 97 2HD ARG 97 -1.830 -17.353 -8.564 760 HE ARG 97 HE ARG 97 -3.713 -15.340 -8.299 761 HH11 ARG 97 2HH1 ARG 97 -2.583 -17.496 -10.788 762 HH12 ARG 97 1HH1 ARG 97 -4.109 -17.559 -11.607 763 HH21 ARG 97 2HH2 ARG 97 -5.726 -15.416 -9.368 764 HH22 ARG 97 1HH2 ARG 97 -5.895 -16.375 -10.799 765 H THR 98 H THR 98 0.017 -14.474 -4.768 766 HA THR 98 HA THR 98 2.822 -13.874 -4.655 767 HB THR 98 HB THR 98 2.851 -15.357 -2.678 768 HG1 THR 98 1HG THR 98 1.167 -16.608 -2.196 769 HG21 THR 98 1HG2 THR 98 2.323 -13.137 -2.146 770 HG22 THR 98 2HG2 THR 98 1.046 -14.075 -1.371 771 HG23 THR 98 3HG2 THR 98 0.729 -13.242 -2.893 772 H SER 99 H SER 99 4.457 -15.630 -4.390 773 HA SER 99 HA SER 99 4.516 -17.262 -6.691 774 HB2 SER 99 1HB SER 99 6.451 -16.313 -5.158 775 HB3 SER 99 2HB SER 99 6.274 -17.870 -4.350 776 HG SER 99 HG SER 99 7.775 -17.590 -6.289 777 HA PRO 100 HA PRO 100 2.352 -20.861 -5.376 778 HB2 PRO 100 1HB PRO 100 3.475 -22.676 -7.054 779 HB3 PRO 100 2HB PRO 100 2.310 -21.461 -7.594 780 HG2 PRO 100 1HG PRO 100 5.297 -21.441 -7.792 781 HG3 PRO 100 2HG PRO 100 4.092 -20.968 -9.004 782 HD2 PRO 100 1HD PRO 100 5.423 -19.160 -7.491 783 HD3 PRO 100 2HD PRO 100 3.758 -18.898 -8.048 784 HA PRO 101 HA PRO 101 4.915 -22.886 -2.407 785 HB2 PRO 101 1HB PRO 101 3.366 -25.063 -1.925 786 HB3 PRO 101 2HB PRO 101 2.964 -23.448 -1.331 787 HG2 PRO 101 1HG PRO 101 1.908 -24.902 -3.725 788 HG3 PRO 101 2HG PRO 101 1.030 -23.932 -2.528 789 HD2 PRO 101 1HD PRO 101 1.713 -22.969 -4.965 790 HD3 PRO 101 2HD PRO 101 1.624 -21.939 -3.522 791 H SER 102 H SER 102 5.868 -25.093 -1.966 792 HA SER 102 HA SER 102 7.550 -25.959 -3.871 793 HB2 SER 102 1HB SER 102 7.630 -26.804 -1.580 794 HB3 SER 102 2HB SER 102 6.158 -27.736 -1.852 795 HG SER 102 HG SER 102 8.280 -28.151 -3.608 796 H GLY 103 H GLY 103 7.198 -26.500 -5.919 797 HA2 GLY 103 1HA GLY 103 5.238 -28.596 -6.499 798 HA3 GLY 103 2HA GLY 103 5.063 -27.065 -7.344 799 HA PRO 104 HA PRO 104 8.013 -30.022 -9.574 800 HB2 PRO 104 1HB PRO 104 6.441 -30.520 -11.731 801 HB3 PRO 104 2HB PRO 104 6.408 -31.512 -10.268 802 HG2 PRO 104 1HG PRO 104 4.552 -29.321 -11.113 803 HG3 PRO 104 2HG PRO 104 4.170 -30.894 -10.390 804 HD2 PRO 104 1HD PRO 104 4.220 -28.602 -8.949 805 HD3 PRO 104 2HD PRO 104 4.665 -30.175 -8.257 806 H SER 105 H SER 105 8.652 -29.755 -11.985 807 HA SER 105 HA SER 105 8.148 -27.086 -13.029 808 HB2 SER 105 1HB SER 105 10.413 -26.372 -13.041 809 HB3 SER 105 2HB SER 105 10.123 -26.981 -11.412 810 HG SER 105 HG SER 105 12.063 -27.810 -12.190 811 H SER 106 H SER 106 7.923 -27.184 -15.160 812 HA SER 106 HA SER 106 8.173 -29.557 -16.619 813 HB2 SER 106 1HB SER 106 7.673 -28.238 -18.576 814 HB3 SER 106 2HB SER 106 6.728 -27.597 -17.232 815 HG SER 106 HG SER 106 7.674 -25.766 -17.571 816 H GLY 107 H GLY 107 9.710 -30.365 -17.994 817 HA2 GLY 107 1HA GLY 107 12.413 -29.428 -17.556 818 HA3 GLY 107 2HA GLY 107 11.935 -30.861 -18.453 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -25.437 -3.781 -8.335 2 HA2 GLY 1 1HA GLY 1 -27.679 -2.772 -8.424 3 HA3 GLY 1 2HA GLY 1 -28.048 -3.664 -6.956 4 H SER 2 H SER 2 -25.731 -3.174 -5.487 5 HA SER 2 HA SER 2 -26.308 -0.817 -4.190 6 HB2 SER 2 1HB SER 2 -23.812 -2.480 -4.349 7 HB3 SER 2 2HB SER 2 -23.815 -0.972 -3.435 8 HG SER 2 HG SER 2 -24.478 -2.368 -1.949 9 H SER 3 H SER 3 -23.620 -1.320 -6.481 10 HA SER 3 HA SER 3 -23.998 1.257 -7.667 11 HB2 SER 3 1HB SER 3 -21.863 2.245 -7.010 12 HB3 SER 3 2HB SER 3 -22.833 1.901 -5.578 13 HG SER 3 HG SER 3 -21.089 -0.089 -6.442 14 H GLY 4 H GLY 4 -22.656 1.599 -9.511 15 HA2 GLY 4 1HA GLY 4 -21.549 -0.920 -10.550 16 HA3 GLY 4 2HA GLY 4 -22.109 0.429 -11.526 17 H SER 5 H SER 5 -20.233 0.635 -12.714 18 HA SER 5 HA SER 5 -17.857 1.496 -11.196 19 HB2 SER 5 1HB SER 5 -17.713 -0.672 -12.572 20 HB3 SER 5 2HB SER 5 -17.762 0.373 -13.992 21 HG SER 5 HG SER 5 -15.647 -0.268 -12.674 22 H SER 6 H SER 6 -18.690 3.659 -11.207 23 HA SER 6 HA SER 6 -18.059 5.057 -13.697 24 HB2 SER 6 1HB SER 6 -20.476 4.811 -13.779 25 HB3 SER 6 2HB SER 6 -20.626 5.439 -12.138 26 HG SER 6 HG SER 6 -20.688 6.820 -14.344 27 H GLY 7 H GLY 7 -17.534 7.295 -13.412 28 HA2 GLY 7 1HA GLY 7 -17.468 9.107 -11.629 29 HA3 GLY 7 2HA GLY 7 -16.667 7.884 -10.654 30 H ALA 8 H ALA 8 -16.208 10.455 -12.729 31 HA ALA 8 HA ALA 8 -13.975 9.836 -14.231 32 HB1 ALA 8 1HB ALA 8 -14.346 12.473 -12.833 33 HB2 ALA 8 2HB ALA 8 -13.542 12.158 -14.372 34 HB3 ALA 8 3HB ALA 8 -15.293 11.987 -14.239 35 H GLU 9 H GLU 9 -12.015 9.140 -13.714 36 HA GLU 9 HA GLU 9 -10.606 10.202 -11.429 37 HB2 GLU 9 1HB GLU 9 -10.273 8.166 -10.254 38 HB3 GLU 9 2HB GLU 9 -12.003 8.292 -10.540 39 HG2 GLU 9 1HG GLU 9 -10.167 6.705 -12.309 40 HG3 GLU 9 2HG GLU 9 -10.978 6.024 -10.899 41 H SER 10 H SER 10 -8.443 10.200 -11.739 42 HA SER 10 HA SER 10 -7.303 8.465 -13.803 43 HB2 SER 10 1HB SER 10 -6.188 10.286 -14.924 44 HB3 SER 10 2HB SER 10 -7.908 10.667 -14.845 45 HG SER 10 HG SER 10 -5.790 11.738 -13.312 46 H LEU 11 H LEU 11 -5.794 7.365 -12.743 47 HA LEU 11 HA LEU 11 -4.565 8.166 -10.353 48 HB2 LEU 11 1HB LEU 11 -4.627 5.862 -10.839 49 HB3 LEU 11 2HB LEU 11 -3.869 6.095 -12.413 50 HG LEU 11 HG LEU 11 -2.325 6.756 -9.945 51 HD11 LEU 11 1HD1 LEU 11 -3.118 4.607 -9.352 52 HD12 LEU 11 2HD1 LEU 11 -1.489 4.381 -9.991 53 HD13 LEU 11 3HD1 LEU 11 -2.889 3.993 -10.990 54 HD21 LEU 11 1HD2 LEU 11 -1.831 6.232 -12.795 55 HD22 LEU 11 2HD2 LEU 11 -0.669 5.505 -11.684 56 HD23 LEU 11 3HD2 LEU 11 -0.948 7.247 -11.654 57 H SER 12 H SER 12 -3.211 9.804 -10.087 58 HA SER 12 HA SER 12 -1.925 11.262 -12.028 59 HB2 SER 12 1HB SER 12 -1.408 10.849 -9.107 60 HB3 SER 12 2HB SER 12 -0.248 11.774 -10.062 61 HG SER 12 HG SER 12 -1.711 13.317 -10.385 62 H GLY 13 H GLY 13 -0.234 8.966 -9.875 63 HA2 GLY 13 1HA GLY 13 1.130 7.652 -11.985 64 HA3 GLY 13 2HA GLY 13 2.160 8.893 -11.287 65 H LEU 14 H LEU 14 -0.148 6.569 -9.885 66 HA LEU 14 HA LEU 14 2.056 5.533 -8.230 67 HB2 LEU 14 1HB LEU 14 -0.733 6.294 -7.434 68 HB3 LEU 14 2HB LEU 14 0.205 5.135 -6.494 69 HG LEU 14 HG LEU 14 0.980 8.004 -7.021 70 HD11 LEU 14 1HD1 LEU 14 -0.928 7.849 -5.529 71 HD12 LEU 14 2HD1 LEU 14 0.516 8.323 -4.636 72 HD13 LEU 14 3HD1 LEU 14 -0.078 6.666 -4.535 73 HD21 LEU 14 1HD2 LEU 14 2.694 7.534 -5.274 74 HD22 LEU 14 2HD2 LEU 14 2.948 6.661 -6.785 75 HD23 LEU 14 3HD2 LEU 14 2.271 5.826 -5.386 76 H SER 15 H SER 15 1.608 4.257 -10.512 77 HA SER 15 HA SER 15 -0.371 2.175 -10.206 78 HB2 SER 15 1HB SER 15 1.761 2.683 -12.287 79 HB3 SER 15 2HB SER 15 0.671 1.298 -12.337 80 HG SER 15 HG SER 15 -0.236 2.916 -13.560 81 H LEU 16 H LEU 16 0.144 0.917 -8.465 82 HA LEU 16 HA LEU 16 2.539 0.101 -7.491 83 HB2 LEU 16 1HB LEU 16 -0.006 -1.483 -7.758 84 HB3 LEU 16 2HB LEU 16 1.382 -2.036 -6.823 85 HG LEU 16 HG LEU 16 0.134 0.614 -6.215 86 HD11 LEU 16 1HD1 LEU 16 -1.133 -1.993 -5.931 87 HD12 LEU 16 2HD1 LEU 16 -1.818 -0.375 -5.784 88 HD13 LEU 16 3HD1 LEU 16 -0.998 -1.113 -4.409 89 HD21 LEU 16 1HD2 LEU 16 1.140 -1.285 -4.176 90 HD22 LEU 16 2HD2 LEU 16 1.271 0.472 -4.255 91 HD23 LEU 16 3HD2 LEU 16 2.330 -0.537 -5.242 92 H LYS 17 H LYS 17 3.879 -1.747 -7.750 93 HA LYS 17 HA LYS 17 3.609 -3.242 -10.247 94 HB2 LYS 17 1HB LYS 17 5.611 -2.602 -11.170 95 HB3 LYS 17 2HB LYS 17 5.150 -1.101 -10.378 96 HG2 LYS 17 1HG LYS 17 7.303 -1.252 -9.675 97 HG3 LYS 17 2HG LYS 17 6.515 -2.151 -8.376 98 HD2 LYS 17 1HD LYS 17 8.361 -3.465 -9.030 99 HD3 LYS 17 2HD LYS 17 6.950 -4.238 -9.756 100 HE2 LYS 17 1HE LYS 17 8.507 -4.217 -11.486 101 HE3 LYS 17 2HE LYS 17 7.499 -2.811 -11.826 102 HZ1 LYS 17 1HZ LYS 17 9.235 -1.503 -10.563 103 HZ2 LYS 17 2HZ LYS 17 9.695 -2.088 -12.081 104 HZ3 LYS 17 3HZ LYS 17 10.226 -2.869 -10.678 105 H LEU 18 H LEU 18 4.399 -5.301 -10.158 106 HA LEU 18 HA LEU 18 5.064 -6.310 -7.532 107 HB2 LEU 18 1HB LEU 18 3.514 -7.561 -8.883 108 HB3 LEU 18 2HB LEU 18 4.688 -7.673 -10.193 109 HG LEU 18 HG LEU 18 6.090 -9.129 -8.825 110 HD11 LEU 18 1HD1 LEU 18 5.913 -8.928 -6.614 111 HD12 LEU 18 2HD1 LEU 18 4.490 -9.960 -6.742 112 HD13 LEU 18 3HD1 LEU 18 4.308 -8.206 -6.724 113 HD21 LEU 18 1HD2 LEU 18 3.276 -10.183 -8.745 114 HD22 LEU 18 2HD2 LEU 18 4.776 -11.075 -9.001 115 HD23 LEU 18 3HD2 LEU 18 4.172 -9.986 -10.251 116 H VAL 19 H VAL 19 7.113 -5.763 -6.966 117 HA VAL 19 HA VAL 19 9.320 -5.863 -8.776 118 HB VAL 19 HB VAL 19 8.963 -5.280 -5.891 119 HG11 VAL 19 1HG1 VAL 19 11.475 -5.288 -5.612 120 HG12 VAL 19 2HG1 VAL 19 10.696 -6.871 -5.638 121 HG13 VAL 19 3HG1 VAL 19 11.545 -6.281 -7.067 122 HG21 VAL 19 1HG2 VAL 19 10.155 -4.004 -8.302 123 HG22 VAL 19 2HG2 VAL 19 9.030 -3.344 -7.115 124 HG23 VAL 19 3HG2 VAL 19 10.738 -3.513 -6.711 125 H LYS 20 H LYS 20 8.533 -7.795 -5.879 126 HA LYS 20 HA LYS 20 9.914 -10.070 -7.136 127 HB2 LYS 20 1HB LYS 20 11.346 -9.115 -5.386 128 HB3 LYS 20 2HB LYS 20 10.040 -9.277 -4.220 129 HG2 LYS 20 1HG LYS 20 11.182 -11.161 -3.714 130 HG3 LYS 20 2HG LYS 20 10.175 -11.811 -5.010 131 HD2 LYS 20 1HD LYS 20 12.776 -10.581 -5.754 132 HD3 LYS 20 2HD LYS 20 12.806 -12.158 -4.961 133 HE2 LYS 20 1HE LYS 20 12.637 -12.857 -7.118 134 HE3 LYS 20 2HE LYS 20 10.920 -12.665 -6.763 135 HZ1 LYS 20 1HZ LYS 20 10.804 -11.227 -8.422 136 HZ2 LYS 20 2HZ LYS 20 12.467 -11.344 -8.704 137 HZ3 LYS 20 3HZ LYS 20 11.873 -10.194 -7.615 138 H LYS 21 H LYS 21 8.864 -11.978 -7.071 139 HA LYS 21 HA LYS 21 6.278 -12.029 -5.670 140 HB2 LYS 21 1HB LYS 21 6.035 -12.302 -8.051 141 HB3 LYS 21 2HB LYS 21 7.267 -13.557 -8.082 142 HG2 LYS 21 1HG LYS 21 5.867 -15.145 -7.180 143 HG3 LYS 21 2HG LYS 21 4.818 -13.944 -6.424 144 HD2 LYS 21 1HD LYS 21 3.608 -14.870 -8.249 145 HD3 LYS 21 2HD LYS 21 4.117 -13.253 -8.741 146 HE2 LYS 21 1HE LYS 21 5.879 -14.135 -10.082 147 HE3 LYS 21 2HE LYS 21 5.647 -15.756 -9.427 148 HZ1 LYS 21 1HZ LYS 21 4.312 -14.475 -11.598 149 HZ2 LYS 21 2HZ LYS 21 3.209 -15.070 -10.462 150 HZ3 LYS 21 3HZ LYS 21 4.339 -16.112 -11.169 151 H GLU 22 H GLU 22 6.730 -12.846 -3.684 152 HA GLU 22 HA GLU 22 8.086 -15.462 -3.596 153 HB2 GLU 22 1HB GLU 22 8.035 -13.225 -1.572 154 HB3 GLU 22 2HB GLU 22 8.571 -14.853 -1.180 155 HG2 GLU 22 1HG GLU 22 9.789 -13.299 -3.432 156 HG3 GLU 22 2HG GLU 22 10.343 -13.117 -1.769 157 HA PRO 23 HA PRO 23 4.460 -17.287 -1.931 158 HB2 PRO 23 1HB PRO 23 5.516 -19.135 -0.245 159 HB3 PRO 23 2HB PRO 23 5.577 -19.294 -2.005 160 HG2 PRO 23 1HG PRO 23 7.692 -18.335 -0.115 161 HG3 PRO 23 2HG PRO 23 7.845 -19.423 -1.508 162 HD2 PRO 23 1HD PRO 23 8.518 -16.803 -1.625 163 HD3 PRO 23 2HD PRO 23 7.869 -17.685 -3.022 164 H ARG 24 H ARG 24 6.916 -16.328 0.438 165 HA ARG 24 HA ARG 24 4.739 -15.670 2.313 166 HB2 ARG 24 1HB ARG 24 7.555 -16.406 3.109 167 HB3 ARG 24 2HB ARG 24 6.155 -16.225 4.158 168 HG2 ARG 24 1HG ARG 24 5.307 -18.269 3.616 169 HG3 ARG 24 2HG ARG 24 6.027 -18.263 2.004 170 HD2 ARG 24 1HD ARG 24 7.565 -18.586 4.578 171 HD3 ARG 24 2HD ARG 24 7.054 -19.917 3.540 172 HE ARG 24 HE ARG 24 8.447 -18.337 1.853 173 HH11 ARG 24 2HH1 ARG 24 9.157 -19.679 4.986 174 HH12 ARG 24 1HH1 ARG 24 10.862 -19.783 4.700 175 HH21 ARG 24 2HH2 ARG 24 10.691 -18.468 1.464 176 HH22 ARG 24 1HH2 ARG 24 11.734 -19.093 2.696 177 H GLN 25 H GLN 25 5.966 -14.003 0.234 178 HA GLN 25 HA GLN 25 6.376 -11.656 1.800 179 HB2 GLN 25 1HB GLN 25 8.645 -12.987 1.705 180 HB3 GLN 25 2HB GLN 25 8.746 -12.294 0.092 181 HG2 GLN 25 1HG GLN 25 8.611 -10.061 1.005 182 HG3 GLN 25 2HG GLN 25 8.403 -10.713 2.629 183 HE21 GLN 25 1HE2 GLN 25 10.599 -9.642 0.326 184 HE22 GLN 25 2HE2 GLN 25 12.055 -10.157 1.101 185 H LEU 26 H LEU 26 6.508 -9.728 0.506 186 HA LEU 26 HA LEU 26 6.275 -9.950 -2.363 187 HB2 LEU 26 1HB LEU 26 3.947 -9.249 -0.613 188 HB3 LEU 26 2HB LEU 26 4.073 -8.608 -2.249 189 HG LEU 26 HG LEU 26 3.986 -11.539 -1.537 190 HD11 LEU 26 1HD1 LEU 26 1.853 -10.631 -1.048 191 HD12 LEU 26 2HD1 LEU 26 1.726 -11.399 -2.631 192 HD13 LEU 26 3HD1 LEU 26 1.862 -9.644 -2.511 193 HD21 LEU 26 1HD2 LEU 26 3.316 -10.796 -4.250 194 HD22 LEU 26 2HD2 LEU 26 4.480 -11.983 -3.660 195 HD23 LEU 26 3HD2 LEU 26 4.951 -10.291 -3.823 196 H GLU 27 H GLU 27 7.384 -8.305 -3.168 197 HA GLU 27 HA GLU 27 7.482 -5.791 -1.631 198 HB2 GLU 27 1HB GLU 27 9.626 -7.218 -1.933 199 HB3 GLU 27 2HB GLU 27 9.603 -6.626 -3.588 200 HG2 GLU 27 1HG GLU 27 9.594 -4.837 -1.171 201 HG3 GLU 27 2HG GLU 27 11.053 -5.335 -2.025 202 H LEU 28 H LEU 28 6.916 -3.946 -2.628 203 HA LEU 28 HA LEU 28 6.620 -3.951 -5.548 204 HB2 LEU 28 1HB LEU 28 4.564 -2.586 -3.878 205 HB3 LEU 28 2HB LEU 28 4.445 -3.197 -5.526 206 HG LEU 28 HG LEU 28 4.599 -5.002 -3.121 207 HD11 LEU 28 1HD1 LEU 28 2.638 -3.537 -2.930 208 HD12 LEU 28 2HD1 LEU 28 2.188 -5.213 -3.242 209 HD13 LEU 28 3HD1 LEU 28 2.127 -4.027 -4.546 210 HD21 LEU 28 1HD2 LEU 28 3.350 -5.649 -5.755 211 HD22 LEU 28 2HD2 LEU 28 4.070 -6.725 -4.556 212 HD23 LEU 28 3HD2 LEU 28 5.103 -5.722 -5.577 213 H THR 29 H THR 29 6.387 -1.744 -6.447 214 HA THR 29 HA THR 29 7.297 0.438 -4.760 215 HB THR 29 HB THR 29 9.404 -0.621 -5.480 216 HG1 THR 29 1HG THR 29 9.776 1.488 -5.279 217 HG21 THR 29 1HG2 THR 29 10.048 -0.781 -7.761 218 HG22 THR 29 2HG2 THR 29 8.638 0.134 -8.295 219 HG23 THR 29 3HG2 THR 29 8.440 -1.495 -7.650 220 H TRP 30 H TRP 30 6.590 2.389 -5.456 221 HA TRP 30 HA TRP 30 5.387 2.519 -8.141 222 HB2 TRP 30 1HB TRP 30 3.705 4.120 -7.064 223 HB3 TRP 30 2HB TRP 30 3.521 2.406 -6.701 224 HD1 TRP 30 HD TRP 30 4.341 5.741 -5.073 225 HE1 TRP 30 1HE TRP 30 4.393 5.435 -2.517 226 HE3 TRP 30 3HE TRP 30 4.041 0.641 -4.858 227 HZ2 TRP 30 2HZ TRP 30 4.318 3.314 -0.657 228 HZ3 TRP 30 3HZ TRP 30 4.037 -0.448 -2.652 229 HH2 TRP 30 HH TRP 30 4.173 0.863 -0.596 230 H ALA 31 H ALA 31 6.619 3.847 -9.300 231 HA ALA 31 HA ALA 31 7.353 6.440 -8.123 232 HB1 ALA 31 1HB ALA 31 9.150 4.620 -9.715 233 HB2 ALA 31 2HB ALA 31 9.512 6.313 -9.375 234 HB3 ALA 31 3HB ALA 31 9.366 5.159 -8.049 235 H GLY 32 H GLY 32 8.035 8.027 -9.870 236 HA2 GLY 32 1HA GLY 32 7.594 7.889 -12.538 237 HA3 GLY 32 2HA GLY 32 5.968 8.046 -11.888 238 H SER 33 H SER 33 5.857 9.870 -10.132 239 HA SER 33 HA SER 33 6.485 12.296 -11.495 240 HB2 SER 33 1HB SER 33 4.440 12.081 -10.162 241 HB3 SER 33 2HB SER 33 5.401 11.849 -8.702 242 HG SER 33 HG SER 33 6.018 14.117 -10.135 243 H ARG 34 H ARG 34 8.470 13.110 -11.553 244 HA ARG 34 HA ARG 34 10.412 12.545 -9.508 245 HB2 ARG 34 1HB ARG 34 11.130 12.680 -11.821 246 HB3 ARG 34 2HB ARG 34 10.526 14.326 -11.946 247 HG2 ARG 34 1HG ARG 34 12.206 15.135 -10.462 248 HG3 ARG 34 2HG ARG 34 12.718 13.494 -10.062 249 HD2 ARG 34 1HD ARG 34 12.875 14.708 -12.817 250 HD3 ARG 34 2HD ARG 34 14.215 14.664 -11.672 251 HE ARG 34 HE ARG 34 13.440 12.067 -11.869 252 HH11 ARG 34 2HH1 ARG 34 14.366 14.509 -14.171 253 HH12 ARG 34 1HH1 ARG 34 15.028 13.376 -15.302 254 HH21 ARG 34 2HH2 ARG 34 14.309 10.566 -13.350 255 HH22 ARG 34 1HH2 ARG 34 14.995 11.134 -14.834 256 HA PRO 35 HA PRO 35 9.411 16.014 -6.944 257 HB2 PRO 35 1HB PRO 35 11.608 15.898 -5.353 258 HB3 PRO 35 2HB PRO 35 10.257 14.767 -5.209 259 HG2 PRO 35 1HG PRO 35 12.892 14.404 -6.582 260 HG3 PRO 35 2HG PRO 35 12.004 13.270 -5.548 261 HD2 PRO 35 1HD PRO 35 11.982 13.101 -8.251 262 HD3 PRO 35 2HD PRO 35 10.593 12.626 -7.253 263 H ARG 36 H ARG 36 9.605 18.047 -7.627 264 HA ARG 36 HA ARG 36 11.484 19.096 -9.321 265 HB2 ARG 36 1HB ARG 36 9.849 20.440 -7.174 266 HB3 ARG 36 2HB ARG 36 10.855 21.343 -8.299 267 HG2 ARG 36 1HG ARG 36 9.578 20.393 -10.172 268 HG3 ARG 36 2HG ARG 36 8.543 19.553 -9.015 269 HD2 ARG 36 1HD ARG 36 7.975 21.777 -8.030 270 HD3 ARG 36 2HD ARG 36 8.870 22.530 -9.349 271 HE ARG 36 HE ARG 36 6.779 20.702 -10.158 272 HH11 ARG 36 2HH1 ARG 36 7.661 23.994 -9.448 273 HH12 ARG 36 1HH1 ARG 36 6.358 24.678 -10.361 274 HH21 ARG 36 2HH2 ARG 36 5.058 21.591 -11.363 275 HH22 ARG 36 1HH2 ARG 36 4.877 23.310 -11.450 276 H ASN 37 H ASN 37 11.542 19.189 -5.769 277 HA ASN 37 HA ASN 37 14.278 20.224 -5.853 278 HB2 ASN 37 1HB ASN 37 12.188 20.044 -3.699 279 HB3 ASN 37 2HB ASN 37 13.880 20.311 -3.290 280 HD21 ASN 37 1HD2 ASN 37 11.207 21.916 -3.410 281 HD22 ASN 37 2HD2 ASN 37 11.717 23.434 -4.061 282 HA PRO 38 HA PRO 38 16.135 16.356 -4.909 283 HB2 PRO 38 1HB PRO 38 18.290 17.177 -3.477 284 HB3 PRO 38 2HB PRO 38 18.158 17.399 -5.225 285 HG2 PRO 38 1HG PRO 38 17.640 19.359 -3.023 286 HG3 PRO 38 2HG PRO 38 18.488 19.603 -4.561 287 HD2 PRO 38 1HD PRO 38 15.924 20.382 -4.172 288 HD3 PRO 38 2HD PRO 38 16.527 19.836 -5.750 289 H GLY 39 H GLY 39 14.871 15.170 -3.545 290 HA2 GLY 39 1HA GLY 39 15.494 14.382 -1.101 291 HA3 GLY 39 2HA GLY 39 14.714 15.911 -0.723 292 H GLY 40 H GLY 40 12.724 15.586 0.003 293 HA2 GLY 40 1HA GLY 40 10.469 14.954 -1.047 294 HA3 GLY 40 2HA GLY 40 11.174 13.346 -1.122 295 H ASN 41 H ASN 41 10.017 15.875 1.019 296 HA ASN 41 HA ASN 41 10.174 14.081 3.318 297 HB2 ASN 41 1HB ASN 41 10.727 16.672 3.233 298 HB3 ASN 41 2HB ASN 41 8.993 16.818 3.503 299 HD21 ASN 41 1HD2 ASN 41 8.837 17.428 5.555 300 HD22 ASN 41 2HD2 ASN 41 9.530 16.595 6.900 301 H LEU 42 H LEU 42 8.385 13.319 1.277 302 HA LEU 42 HA LEU 42 5.753 13.892 2.457 303 HB2 LEU 42 1HB LEU 42 6.668 13.153 -0.279 304 HB3 LEU 42 2HB LEU 42 5.050 12.674 0.230 305 HG LEU 42 HG LEU 42 5.977 15.529 0.373 306 HD11 LEU 42 1HD1 LEU 42 5.386 15.954 -1.796 307 HD12 LEU 42 2HD1 LEU 42 4.332 14.544 -1.904 308 HD13 LEU 42 3HD1 LEU 42 6.083 14.342 -1.967 309 HD21 LEU 42 1HD2 LEU 42 4.028 15.264 1.619 310 HD22 LEU 42 2HD2 LEU 42 3.348 14.093 0.489 311 HD23 LEU 42 3HD2 LEU 42 3.439 15.798 0.044 312 H SER 43 H SER 43 4.215 12.093 2.567 313 HA SER 43 HA SER 43 5.584 9.550 3.156 314 HB2 SER 43 1HB SER 43 3.583 9.166 4.708 315 HB3 SER 43 2HB SER 43 4.756 10.381 5.215 316 HG SER 43 HG SER 43 2.130 10.685 4.353 317 H TYR 44 H TYR 44 3.757 7.726 3.258 318 HA TYR 44 HA TYR 44 1.861 7.985 1.067 319 HB2 TYR 44 1HB TYR 44 3.921 5.774 1.040 320 HB3 TYR 44 2HB TYR 44 2.697 6.106 -0.180 321 HD1 TYR 44 2HD TYR 44 2.863 8.342 -1.435 322 HD2 TYR 44 1HD TYR 44 6.054 6.708 0.856 323 HE1 TYR 44 2HE TYR 44 4.459 9.761 -2.656 324 HE2 TYR 44 1HE TYR 44 7.658 8.123 -0.357 325 HH TYR 44 HH TYR 44 6.613 10.219 -3.017 326 H GLU 45 H GLU 45 0.076 6.755 1.344 327 HA GLU 45 HA GLU 45 -0.017 5.100 3.759 328 HB2 GLU 45 1HB GLU 45 -1.671 7.034 3.209 329 HB3 GLU 45 2HB GLU 45 -2.419 5.865 2.131 330 HG2 GLU 45 1HG GLU 45 -2.085 5.644 5.110 331 HG3 GLU 45 2HG GLU 45 -3.587 5.837 4.208 332 H LEU 46 H LEU 46 0.066 2.968 3.587 333 HA LEU 46 HA LEU 46 -0.607 1.732 1.005 334 HB2 LEU 46 1HB LEU 46 1.706 1.517 2.257 335 HB3 LEU 46 2HB LEU 46 0.846 0.261 3.146 336 HG LEU 46 HG LEU 46 2.192 -0.628 1.284 337 HD11 LEU 46 1HD1 LEU 46 -0.507 -1.174 0.296 338 HD12 LEU 46 2HD1 LEU 46 -0.324 -1.348 2.041 339 HD13 LEU 46 3HD1 LEU 46 0.710 -2.270 0.950 340 HD21 LEU 46 1HD2 LEU 46 0.511 0.055 -0.901 341 HD22 LEU 46 2HD2 LEU 46 2.231 0.382 -0.689 342 HD23 LEU 46 3HD2 LEU 46 1.035 1.547 -0.121 343 H HIS 47 H HIS 47 -2.203 0.264 0.853 344 HA HIS 47 HA HIS 47 -3.388 -0.783 3.329 345 HB2 HIS 47 1HB HIS 47 -4.683 1.189 2.386 346 HB3 HIS 47 2HB HIS 47 -5.053 0.169 0.998 347 HD1 HIS 47 1HD HIS 47 -7.588 0.404 1.688 348 HD2 HIS 47 2HD HIS 47 -5.193 -1.623 4.411 349 HE1 HIS 47 1HE HIS 47 -9.180 -0.787 3.228 350 HE2 HIS 47 2HE HIS 47 -7.709 -1.937 4.918 351 H VAL 48 H VAL 48 -3.307 -2.921 3.270 352 HA VAL 48 HA VAL 48 -3.484 -4.273 0.658 353 HB VAL 48 HB VAL 48 -2.195 -5.230 3.218 354 HG11 VAL 48 1HG1 VAL 48 -1.349 -7.024 1.499 355 HG12 VAL 48 2HG1 VAL 48 -2.909 -7.211 2.303 356 HG13 VAL 48 3HG1 VAL 48 -2.834 -6.600 0.649 357 HG21 VAL 48 1HG2 VAL 48 -1.220 -3.573 1.171 358 HG22 VAL 48 2HG2 VAL 48 -0.303 -4.333 2.472 359 HG23 VAL 48 3HG2 VAL 48 -0.479 -5.154 0.921 360 H LEU 49 H LEU 49 -5.078 -5.698 0.293 361 HA LEU 49 HA LEU 49 -6.797 -6.447 2.567 362 HB2 LEU 49 1HB LEU 49 -7.711 -6.087 -0.277 363 HB3 LEU 49 2HB LEU 49 -8.713 -6.337 1.151 364 HG LEU 49 HG LEU 49 -7.927 -4.097 1.974 365 HD11 LEU 49 1HD1 LEU 49 -7.162 -2.618 -0.020 366 HD12 LEU 49 2HD1 LEU 49 -6.606 -4.145 -0.704 367 HD13 LEU 49 3HD1 LEU 49 -5.978 -3.594 0.849 368 HD21 LEU 49 1HD2 LEU 49 -9.540 -2.908 0.742 369 HD22 LEU 49 2HD2 LEU 49 -10.095 -4.583 0.741 370 HD23 LEU 49 3HD2 LEU 49 -9.308 -3.913 -0.689 371 H ASN 50 H ASN 50 -7.850 -8.505 2.429 372 HA ASN 50 HA ASN 50 -6.812 -10.368 0.431 373 HB2 ASN 50 1HB ASN 50 -5.443 -10.295 2.679 374 HB3 ASN 50 2HB ASN 50 -6.791 -11.248 3.292 375 HD21 ASN 50 1HD2 ASN 50 -5.289 -12.955 3.617 376 HD22 ASN 50 2HD2 ASN 50 -4.795 -13.952 2.295 377 H GLN 51 H GLN 51 -7.874 -12.616 0.834 378 HA GLN 51 HA GLN 51 -10.543 -12.504 0.336 379 HB2 GLN 51 1HB GLN 51 -9.078 -14.695 1.814 380 HB3 GLN 51 2HB GLN 51 -10.675 -14.865 1.099 381 HG2 GLN 51 1HG GLN 51 -8.439 -13.951 -0.631 382 HG3 GLN 51 2HG GLN 51 -8.510 -15.649 -0.163 383 HE21 GLN 51 1HE2 GLN 51 -10.514 -16.798 -0.631 384 HE22 GLN 51 2HE2 GLN 51 -11.414 -16.365 -2.041 385 H ASP 52 H ASP 52 -9.132 -13.164 3.544 386 HA ASP 52 HA ASP 52 -11.527 -11.965 4.750 387 HB2 ASP 52 1HB ASP 52 -11.358 -14.603 4.737 388 HB3 ASP 52 2HB ASP 52 -10.265 -14.319 6.089 389 H GLU 53 H GLU 53 -8.643 -11.183 4.259 390 HA GLU 53 HA GLU 53 -8.139 -10.238 6.981 391 HB2 GLU 53 1HB GLU 53 -6.232 -11.814 5.280 392 HB3 GLU 53 2HB GLU 53 -5.627 -10.651 6.451 393 HG2 GLU 53 1HG GLU 53 -6.568 -11.840 8.262 394 HG3 GLU 53 2HG GLU 53 -7.522 -12.860 7.187 395 H GLU 54 H GLU 54 -8.145 -8.100 6.845 396 HA GLU 54 HA GLU 54 -6.761 -6.834 4.576 397 HB2 GLU 54 1HB GLU 54 -9.005 -6.439 4.044 398 HB3 GLU 54 2HB GLU 54 -9.464 -6.217 5.726 399 HG2 GLU 54 1HG GLU 54 -8.085 -4.113 5.709 400 HG3 GLU 54 2HG GLU 54 -7.953 -4.313 3.962 401 H TRP 55 H TRP 55 -5.144 -5.585 5.212 402 HA TRP 55 HA TRP 55 -5.360 -4.155 7.766 403 HB2 TRP 55 1HB TRP 55 -3.133 -4.761 8.426 404 HB3 TRP 55 2HB TRP 55 -3.998 -6.247 8.045 405 HD1 TRP 55 HD TRP 55 -1.238 -3.961 6.657 406 HE1 TRP 55 1HE TRP 55 0.167 -5.312 4.976 407 HE3 TRP 55 3HE TRP 55 -4.043 -8.232 6.504 408 HZ2 TRP 55 2HZ TRP 55 0.094 -7.853 3.747 409 HZ3 TRP 55 3HZ TRP 55 -3.307 -10.075 5.050 410 HH2 TRP 55 HH TRP 55 -1.281 -9.888 3.701 411 H HIS 56 H HIS 56 -3.909 -2.315 7.944 412 HA HIS 56 HA HIS 56 -2.903 -1.326 5.366 413 HB2 HIS 56 1HB HIS 56 -3.902 0.807 5.653 414 HB3 HIS 56 2HB HIS 56 -5.178 -0.365 5.969 415 HD1 HIS 56 1HD HIS 56 -5.173 2.578 7.069 416 HD2 HIS 56 2HD HIS 56 -3.992 -0.796 9.187 417 HE1 HIS 56 1HE HIS 56 -5.434 3.182 9.497 418 HE2 HIS 56 2HE HIS 56 -4.633 1.156 10.759 419 H GLN 57 H GLN 57 -1.125 0.055 5.473 420 HA GLN 57 HA GLN 57 -0.025 0.752 8.069 421 HB2 GLN 57 1HB GLN 57 2.155 -0.294 7.587 422 HB3 GLN 57 2HB GLN 57 0.868 -1.483 7.738 423 HG2 GLN 57 1HG GLN 57 0.715 -1.541 5.258 424 HG3 GLN 57 2HG GLN 57 2.127 -0.487 5.196 425 HE21 GLN 57 1HE2 GLN 57 4.132 -1.311 5.623 426 HE22 GLN 57 2HE2 GLN 57 4.442 -2.999 5.819 427 H MET 58 H MET 58 0.705 2.763 7.949 428 HA MET 58 HA MET 58 1.032 4.062 5.408 429 HB2 MET 58 1HB MET 58 0.068 5.139 7.478 430 HB3 MET 58 2HB MET 58 1.698 5.169 8.137 431 HG2 MET 58 1HG MET 58 2.245 6.397 5.888 432 HG3 MET 58 2HG MET 58 0.519 6.750 5.913 433 HE1 MET 58 1HE MET 58 3.801 8.919 7.511 434 HE2 MET 58 2HE MET 58 3.823 7.574 8.652 435 HE3 MET 58 3HE MET 58 3.848 7.259 6.916 436 H VAL 59 H VAL 59 2.831 4.096 4.247 437 HA VAL 59 HA VAL 59 5.395 3.584 5.601 438 HB VAL 59 HB VAL 59 6.254 2.862 3.416 439 HG11 VAL 59 1HG1 VAL 59 5.642 0.844 4.104 440 HG12 VAL 59 2HG1 VAL 59 4.283 1.532 4.995 441 HG13 VAL 59 3HG1 VAL 59 4.085 1.061 3.307 442 HG21 VAL 59 1HG2 VAL 59 5.142 3.904 1.722 443 HG22 VAL 59 2HG2 VAL 59 4.264 2.374 1.728 444 HG23 VAL 59 3HG2 VAL 59 3.577 3.789 2.527 445 H LEU 60 H LEU 60 7.176 4.875 5.175 446 HA LEU 60 HA LEU 60 6.536 7.517 4.091 447 HB2 LEU 60 1HB LEU 60 9.013 6.688 5.584 448 HB3 LEU 60 2HB LEU 60 8.447 8.326 5.268 449 HG LEU 60 HG LEU 60 6.720 6.519 6.887 450 HD11 LEU 60 1HD1 LEU 60 9.138 6.357 7.697 451 HD12 LEU 60 2HD1 LEU 60 7.912 6.830 8.873 452 HD13 LEU 60 3HD1 LEU 60 8.965 8.050 8.158 453 HD21 LEU 60 1HD2 LEU 60 7.254 9.452 6.636 454 HD22 LEU 60 2HD2 LEU 60 6.502 8.802 8.094 455 HD23 LEU 60 3HD2 LEU 60 5.726 8.579 6.525 456 H GLU 61 H GLU 61 7.203 5.011 2.524 457 HA GLU 61 HA GLU 61 9.074 6.307 0.713 458 HB2 GLU 61 1HB GLU 61 10.382 4.165 0.477 459 HB3 GLU 61 2HB GLU 61 10.626 5.031 1.987 460 HG2 GLU 61 1HG GLU 61 8.682 3.421 2.790 461 HG3 GLU 61 2HG GLU 61 9.316 2.423 1.483 462 HA PRO 62 HA PRO 62 6.471 4.600 -2.380 463 HB2 PRO 62 1HB PRO 62 8.220 4.298 -4.434 464 HB3 PRO 62 2HB PRO 62 7.635 5.876 -3.895 465 HG2 PRO 62 1HG PRO 62 10.218 4.499 -3.269 466 HG3 PRO 62 2HG PRO 62 9.928 6.199 -3.680 467 HD2 PRO 62 1HD PRO 62 10.301 5.359 -1.133 468 HD3 PRO 62 2HD PRO 62 9.251 6.731 -1.542 469 H ARG 63 H ARG 63 8.711 2.787 -0.789 470 HA ARG 63 HA ARG 63 8.044 0.364 -2.330 471 HB2 ARG 63 1HB ARG 63 10.144 -0.614 -1.575 472 HB3 ARG 63 2HB ARG 63 10.443 0.898 -2.423 473 HG2 ARG 63 1HG ARG 63 10.599 2.022 -0.197 474 HG3 ARG 63 2HG ARG 63 10.514 0.423 0.546 475 HD2 ARG 63 1HD ARG 63 12.509 -0.228 -0.804 476 HD3 ARG 63 2HD ARG 63 12.628 1.446 -1.343 477 HE ARG 63 HE ARG 63 12.565 1.296 1.488 478 HH11 ARG 63 2HH1 ARG 63 14.641 0.778 -1.259 479 HH12 ARG 63 1HH1 ARG 63 16.101 1.079 -0.377 480 HH21 ARG 63 2HH2 ARG 63 14.481 1.695 2.660 481 HH22 ARG 63 1HH2 ARG 63 16.009 1.600 1.852 482 H VAL 64 H VAL 64 7.319 -1.420 -1.230 483 HA VAL 64 HA VAL 64 7.096 -1.243 1.691 484 HB VAL 64 HB VAL 64 4.963 -0.439 0.763 485 HG11 VAL 64 1HG1 VAL 64 3.838 -1.444 -0.894 486 HG12 VAL 64 2HG1 VAL 64 5.356 -2.286 -1.210 487 HG13 VAL 64 3HG1 VAL 64 4.108 -3.055 -0.229 488 HG21 VAL 64 1HG2 VAL 64 4.909 -3.118 2.138 489 HG22 VAL 64 2HG2 VAL 64 4.858 -1.521 2.886 490 HG23 VAL 64 3HG2 VAL 64 3.487 -2.094 1.935 491 H LEU 65 H LEU 65 7.491 -3.115 2.714 492 HA LEU 65 HA LEU 65 7.721 -5.544 1.063 493 HB2 LEU 65 1HB LEU 65 9.806 -4.513 2.133 494 HB3 LEU 65 2HB LEU 65 9.146 -5.085 3.664 495 HG LEU 65 HG LEU 65 10.891 -6.557 2.640 496 HD11 LEU 65 1HD1 LEU 65 8.145 -7.731 3.049 497 HD12 LEU 65 2HD1 LEU 65 9.353 -7.423 4.295 498 HD13 LEU 65 3HD1 LEU 65 9.656 -8.641 3.057 499 HD21 LEU 65 1HD2 LEU 65 10.716 -7.386 0.575 500 HD22 LEU 65 2HD2 LEU 65 9.469 -6.165 0.318 501 HD23 LEU 65 3HD2 LEU 65 9.016 -7.803 0.793 502 H LEU 66 H LEU 66 6.067 -6.869 1.401 503 HA LEU 66 HA LEU 66 4.796 -6.944 4.039 504 HB2 LEU 66 1HB LEU 66 3.882 -8.219 1.467 505 HB3 LEU 66 2HB LEU 66 2.955 -8.061 2.957 506 HG LEU 66 HG LEU 66 3.886 -5.686 1.359 507 HD11 LEU 66 1HD1 LEU 66 1.369 -7.307 1.100 508 HD12 LEU 66 2HD1 LEU 66 2.522 -6.868 -0.159 509 HD13 LEU 66 3HD1 LEU 66 1.490 -5.633 0.561 510 HD21 LEU 66 1HD2 LEU 66 1.633 -4.947 2.624 511 HD22 LEU 66 2HD2 LEU 66 3.245 -4.758 3.315 512 HD23 LEU 66 3HD2 LEU 66 2.246 -6.140 3.769 513 H THR 67 H THR 67 5.214 -8.538 5.408 514 HA THR 67 HA THR 67 6.338 -11.047 4.343 515 HB THR 67 HB THR 67 7.546 -11.331 6.442 516 HG1 THR 67 1HG THR 67 6.545 -8.753 7.141 517 HG21 THR 67 1HG2 THR 67 8.630 -10.091 4.607 518 HG22 THR 67 2HG2 THR 67 9.180 -9.545 6.191 519 HG23 THR 67 3HG2 THR 67 8.016 -8.582 5.282 520 H LYS 68 H LYS 68 6.073 -12.878 6.047 521 HA LYS 68 HA LYS 68 4.669 -14.332 7.090 522 HB2 LYS 68 1HB LYS 68 3.808 -11.686 8.174 523 HB3 LYS 68 2HB LYS 68 2.813 -13.095 8.517 524 HG2 LYS 68 1HG LYS 68 4.442 -14.104 9.796 525 HG3 LYS 68 2HG LYS 68 5.751 -13.206 9.025 526 HD2 LYS 68 1HD LYS 68 5.650 -12.115 11.035 527 HD3 LYS 68 2HD LYS 68 4.509 -11.142 10.103 528 HE2 LYS 68 1HE LYS 68 2.644 -12.321 11.053 529 HE3 LYS 68 2HE LYS 68 3.719 -13.466 11.854 530 HZ1 LYS 68 1HZ LYS 68 4.266 -10.725 12.521 531 HZ2 LYS 68 2HZ LYS 68 4.065 -12.064 13.534 532 HZ3 LYS 68 3HZ LYS 68 2.712 -11.218 12.972 533 H LEU 69 H LEU 69 4.103 -13.760 4.418 534 HA LEU 69 HA LEU 69 1.178 -13.606 4.290 535 HB2 LEU 69 1HB LEU 69 3.121 -13.635 1.993 536 HB3 LEU 69 2HB LEU 69 1.416 -13.193 1.951 537 HG LEU 69 HG LEU 69 3.534 -11.621 3.413 538 HD11 LEU 69 1HD1 LEU 69 2.943 -10.009 1.424 539 HD12 LEU 69 2HD1 LEU 69 2.570 -11.522 0.600 540 HD13 LEU 69 3HD1 LEU 69 4.185 -11.248 1.253 541 HD21 LEU 69 1HD2 LEU 69 1.666 -10.835 4.395 542 HD22 LEU 69 2HD2 LEU 69 0.611 -11.425 3.110 543 HD23 LEU 69 3HD2 LEU 69 1.506 -9.920 2.896 544 H GLN 70 H GLN 70 0.476 -15.009 2.166 545 HA GLN 70 HA GLN 70 1.416 -17.748 2.712 546 HB2 GLN 70 1HB GLN 70 -1.366 -16.772 2.059 547 HB3 GLN 70 2HB GLN 70 -0.903 -18.469 2.050 548 HG2 GLN 70 1HG GLN 70 -0.178 -18.133 4.455 549 HG3 GLN 70 2HG GLN 70 -1.023 -16.588 4.383 550 HE21 GLN 70 1HE2 GLN 70 -2.332 -17.474 6.098 551 HE22 GLN 70 2HE2 GLN 70 -3.657 -18.512 5.711 552 HA PRO 71 HA PRO 71 2.470 -18.035 -1.550 553 HB2 PRO 71 1HB PRO 71 2.382 -20.733 -1.840 554 HB3 PRO 71 2HB PRO 71 3.678 -19.902 -0.972 555 HG2 PRO 71 1HG PRO 71 1.259 -21.292 0.114 556 HG3 PRO 71 2HG PRO 71 2.933 -21.344 0.694 557 HD2 PRO 71 1HD PRO 71 1.035 -19.803 1.858 558 HD3 PRO 71 2HD PRO 71 2.745 -19.330 1.799 559 H ASP 72 H ASP 72 1.571 -18.416 -3.587 560 HA ASP 72 HA ASP 72 -0.166 -18.352 -5.073 561 HB2 ASP 72 1HB ASP 72 -1.428 -20.409 -5.228 562 HB3 ASP 72 2HB ASP 72 0.233 -20.793 -4.782 563 H THR 73 H THR 73 -0.641 -16.571 -3.077 564 HA THR 73 HA THR 73 -3.549 -16.822 -2.678 565 HB THR 73 HB THR 73 -1.570 -15.612 -0.737 566 HG1 THR 73 1HG THR 73 -3.318 -17.672 -0.030 567 HG21 THR 73 1HG2 THR 73 -3.312 -14.831 0.539 568 HG22 THR 73 2HG2 THR 73 -4.456 -16.009 -0.106 569 HG23 THR 73 3HG2 THR 73 -3.990 -14.611 -1.074 570 H THR 74 H THR 74 -4.751 -15.114 -3.287 571 HA THR 74 HA THR 74 -3.461 -12.969 -4.709 572 HB THR 74 HB THR 74 -6.403 -13.328 -4.114 573 HG1 THR 74 1HG THR 74 -6.296 -14.101 -6.405 574 HG21 THR 74 1HG2 THR 74 -6.804 -11.788 -5.882 575 HG22 THR 74 2HG2 THR 74 -5.105 -11.787 -6.355 576 HG23 THR 74 3HG2 THR 74 -5.598 -11.045 -4.833 577 H TYR 75 H TYR 75 -2.808 -11.127 -3.832 578 HA TYR 75 HA TYR 75 -4.204 -10.133 -1.436 579 HB2 TYR 75 1HB TYR 75 -1.252 -10.234 -2.024 580 HB3 TYR 75 2HB TYR 75 -1.921 -9.115 -0.841 581 HD1 TYR 75 2HD TYR 75 -3.343 -10.141 1.056 582 HD2 TYR 75 1HD TYR 75 -0.705 -12.409 -1.393 583 HE1 TYR 75 2HE TYR 75 -3.281 -11.906 2.767 584 HE2 TYR 75 1HE TYR 75 -0.637 -14.182 0.310 585 HH TYR 75 HH TYR 75 -1.048 -14.168 2.998 586 H ILE 76 H ILE 76 -5.159 -8.250 -1.777 587 HA ILE 76 HA ILE 76 -4.491 -6.660 -4.101 588 HB ILE 76 HB ILE 76 -6.537 -6.035 -1.974 589 HG12 ILE 76 1HG1 ILE 76 -6.925 -8.274 -2.954 590 HG13 ILE 76 2HG1 ILE 76 -8.185 -7.127 -3.398 591 HG21 ILE 76 1HG2 ILE 76 -6.028 -5.033 -4.757 592 HG22 ILE 76 2HG2 ILE 76 -7.598 -4.856 -3.975 593 HG23 ILE 76 3HG2 ILE 76 -6.168 -4.111 -3.261 594 HD11 ILE 76 1HD1 ILE 76 -7.523 -8.543 -5.271 595 HD12 ILE 76 2HD1 ILE 76 -7.177 -6.842 -5.584 596 HD13 ILE 76 3HD1 ILE 76 -5.871 -7.941 -5.141 597 H VAL 77 H VAL 77 -3.406 -4.778 -4.131 598 HA VAL 77 HA VAL 77 -2.739 -3.503 -1.566 599 HB VAL 77 HB VAL 77 -0.782 -3.937 -3.827 600 HG11 VAL 77 1HG1 VAL 77 -0.664 -1.827 -2.332 601 HG12 VAL 77 2HG1 VAL 77 -0.095 -2.943 -1.089 602 HG13 VAL 77 3HG1 VAL 77 0.801 -2.771 -2.598 603 HG21 VAL 77 1HG2 VAL 77 0.154 -5.111 -1.461 604 HG22 VAL 77 2HG2 VAL 77 -1.529 -5.615 -1.616 605 HG23 VAL 77 3HG2 VAL 77 -0.390 -5.932 -2.925 606 H ARG 78 H ARG 78 -2.597 -1.283 -1.586 607 HA ARG 78 HA ARG 78 -2.718 0.176 -4.082 608 HB2 ARG 78 1HB ARG 78 -4.787 1.430 -3.297 609 HB3 ARG 78 2HB ARG 78 -5.042 -0.204 -3.897 610 HG2 ARG 78 1HG ARG 78 -5.387 -1.060 -1.738 611 HG3 ARG 78 2HG ARG 78 -4.728 0.388 -0.973 612 HD2 ARG 78 1HD ARG 78 -7.118 0.424 -0.756 613 HD3 ARG 78 2HD ARG 78 -6.635 1.679 -1.898 614 HE ARG 78 HE ARG 78 -7.314 -0.792 -3.176 615 HH11 ARG 78 2HH1 ARG 78 -8.597 2.150 -1.828 616 HH12 ARG 78 1HH1 ARG 78 -10.037 2.116 -2.791 617 HH21 ARG 78 2HH2 ARG 78 -9.206 -0.847 -4.449 618 HH22 ARG 78 1HH2 ARG 78 -10.383 0.411 -4.281 619 H VAL 79 H VAL 79 -1.458 1.897 -3.866 620 HA VAL 79 HA VAL 79 -1.084 3.034 -1.172 621 HB VAL 79 HB VAL 79 0.936 1.948 -2.192 622 HG11 VAL 79 1HG1 VAL 79 0.143 3.348 -4.462 623 HG12 VAL 79 2HG1 VAL 79 1.603 4.172 -3.910 624 HG13 VAL 79 3HG1 VAL 79 1.639 2.440 -4.244 625 HG21 VAL 79 1HG2 VAL 79 1.818 3.314 -0.661 626 HG22 VAL 79 2HG2 VAL 79 2.187 4.399 -2.002 627 HG23 VAL 79 3HG2 VAL 79 0.707 4.622 -1.068 628 H ARG 80 H ARG 80 -1.101 5.253 -0.914 629 HA ARG 80 HA ARG 80 -1.622 6.914 -3.264 630 HB2 ARG 80 1HB ARG 80 -3.552 7.967 -2.258 631 HB3 ARG 80 2HB ARG 80 -3.821 6.232 -2.346 632 HG2 ARG 80 1HG ARG 80 -4.553 6.626 -0.232 633 HG3 ARG 80 2HG ARG 80 -2.850 6.307 0.105 634 HD2 ARG 80 1HD ARG 80 -3.101 8.249 1.271 635 HD3 ARG 80 2HD ARG 80 -2.660 8.915 -0.301 636 HE ARG 80 HE ARG 80 -4.798 9.738 -0.529 637 HH11 ARG 80 2HH1 ARG 80 -4.648 7.565 2.187 638 HH12 ARG 80 1HH1 ARG 80 -6.217 7.994 2.783 639 HH21 ARG 80 2HH2 ARG 80 -6.866 10.310 0.246 640 HH22 ARG 80 1HH2 ARG 80 -7.478 9.554 1.678 641 H THR 81 H THR 81 -0.639 8.845 -3.175 642 HA THR 81 HA THR 81 1.173 9.411 -1.059 643 HB THR 81 HB THR 81 0.288 11.240 -3.300 644 HG1 THR 81 1HG THR 81 2.323 9.264 -3.126 645 HG21 THR 81 1HG2 THR 81 2.768 11.272 -1.575 646 HG22 THR 81 2HG2 THR 81 1.426 12.411 -1.473 647 HG23 THR 81 3HG2 THR 81 2.432 12.361 -2.920 648 H LEU 82 H LEU 82 0.849 10.491 0.770 649 HA LEU 82 HA LEU 82 -1.725 11.692 1.297 650 HB2 LEU 82 1HB LEU 82 0.662 10.940 2.885 651 HB3 LEU 82 2HB LEU 82 -0.354 12.232 3.521 652 HG LEU 82 HG LEU 82 -1.374 9.484 2.817 653 HD11 LEU 82 1HD1 LEU 82 -1.500 9.395 5.419 654 HD12 LEU 82 2HD1 LEU 82 -0.194 10.576 5.329 655 HD13 LEU 82 3HD1 LEU 82 0.003 8.987 4.590 656 HD21 LEU 82 1HD2 LEU 82 -2.651 11.486 4.643 657 HD22 LEU 82 2HD2 LEU 82 -3.381 10.114 3.808 658 HD23 LEU 82 3HD2 LEU 82 -2.911 11.552 2.900 659 H THR 83 H THR 83 -2.178 13.826 1.565 660 HA THR 83 HA THR 83 0.026 15.749 1.271 661 HB THR 83 HB THR 83 -1.026 16.995 -0.389 662 HG1 THR 83 1HG THR 83 -3.117 17.040 0.557 663 HG21 THR 83 1HG2 THR 83 -0.689 15.520 -2.025 664 HG22 THR 83 2HG2 THR 83 -2.199 14.694 -1.639 665 HG23 THR 83 3HG2 THR 83 -0.707 14.231 -0.821 666 HA PRO 84 HA PRO 84 -1.830 17.894 4.627 667 HB2 PRO 84 1HB PRO 84 -1.079 20.443 4.071 668 HB3 PRO 84 2HB PRO 84 0.050 19.215 4.655 669 HG2 PRO 84 1HG PRO 84 -0.425 20.177 1.860 670 HG3 PRO 84 2HG PRO 84 1.110 19.835 2.680 671 HD2 PRO 84 1HD PRO 84 -0.035 18.097 0.948 672 HD3 PRO 84 2HD PRO 84 0.931 17.562 2.338 673 H LEU 85 H LEU 85 -2.391 19.237 1.396 674 HA LEU 85 HA LEU 85 -5.090 20.021 2.277 675 HB2 LEU 85 1HB LEU 85 -3.178 21.467 0.467 676 HB3 LEU 85 2HB LEU 85 -4.908 21.800 0.464 677 HG LEU 85 HG LEU 85 -3.149 22.083 2.896 678 HD11 LEU 85 1HD1 LEU 85 -4.083 24.207 0.971 679 HD12 LEU 85 2HD1 LEU 85 -2.426 23.631 1.151 680 HD13 LEU 85 3HD1 LEU 85 -3.213 24.482 2.480 681 HD21 LEU 85 1HD2 LEU 85 -5.702 23.535 2.560 682 HD22 LEU 85 2HD2 LEU 85 -4.973 22.838 4.006 683 HD23 LEU 85 3HD2 LEU 85 -5.808 21.799 2.850 684 H GLY 86 H GLY 86 -6.090 18.171 1.519 685 HA2 GLY 86 1HA GLY 86 -7.364 17.131 -0.125 686 HA3 GLY 86 2HA GLY 86 -6.560 18.119 -1.335 687 HA PRO 87 HA PRO 87 -3.824 14.204 -0.384 688 HB2 PRO 87 1HB PRO 87 -5.226 12.087 0.577 689 HB3 PRO 87 2HB PRO 87 -4.430 13.268 1.625 690 HG2 PRO 87 1HG PRO 87 -7.308 13.085 0.821 691 HG3 PRO 87 2HG PRO 87 -6.611 13.430 2.414 692 HD2 PRO 87 1HD PRO 87 -7.571 15.374 0.792 693 HD3 PRO 87 2HD PRO 87 -6.210 15.641 1.899 694 H GLY 88 H GLY 88 -3.468 12.541 -1.865 695 HA2 GLY 88 1HA GLY 88 -5.160 12.543 -4.160 696 HA3 GLY 88 2HA GLY 88 -3.741 11.534 -3.917 697 HA PRO 89 HA PRO 89 -7.866 9.163 -3.492 698 HB2 PRO 89 1HB PRO 89 -7.942 8.001 -5.944 699 HB3 PRO 89 2HB PRO 89 -8.710 9.554 -5.593 700 HG2 PRO 89 1HG PRO 89 -6.074 8.997 -6.898 701 HG3 PRO 89 2HG PRO 89 -7.318 10.178 -7.348 702 HD2 PRO 89 1HD PRO 89 -5.085 10.863 -5.977 703 HD3 PRO 89 2HD PRO 89 -6.639 11.690 -5.746 704 H PHE 90 H PHE 90 -8.085 6.750 -3.762 705 HA PHE 90 HA PHE 90 -5.535 5.509 -3.097 706 HB2 PHE 90 1HB PHE 90 -8.400 4.854 -2.636 707 HB3 PHE 90 2HB PHE 90 -7.272 3.507 -2.738 708 HD1 PHE 90 2HD PHE 90 -5.337 3.415 -1.155 709 HD2 PHE 90 1HD PHE 90 -8.526 6.199 -0.714 710 HE1 PHE 90 2HE PHE 90 -4.693 3.775 1.192 711 HE2 PHE 90 1HE PHE 90 -7.886 6.565 1.634 712 HZ PHE 90 HZ PHE 90 -5.969 5.351 2.590 713 H SER 91 H SER 91 -4.390 4.443 -4.556 714 HA SER 91 HA SER 91 -4.864 4.139 -7.192 715 HB2 SER 91 1HB SER 91 -3.065 2.691 -7.273 716 HB3 SER 91 2HB SER 91 -2.824 3.401 -5.677 717 HG SER 91 HG SER 91 -4.099 0.930 -6.250 718 HA PRO 92 HA PRO 92 -8.072 1.230 -7.902 719 HB2 PRO 92 1HB PRO 92 -7.228 0.055 -10.198 720 HB3 PRO 92 2HB PRO 92 -7.850 1.708 -10.138 721 HG2 PRO 92 1HG PRO 92 -5.014 0.753 -10.195 722 HG3 PRO 92 2HG PRO 92 -5.760 2.096 -11.080 723 HD2 PRO 92 1HD PRO 92 -4.280 2.468 -8.843 724 HD3 PRO 92 2HD PRO 92 -5.648 3.517 -9.268 725 H ASP 93 H ASP 93 -8.588 -0.762 -7.210 726 HA ASP 93 HA ASP 93 -7.033 -2.419 -5.779 727 HB2 ASP 93 1HB ASP 93 -8.566 -4.302 -6.472 728 HB3 ASP 93 2HB ASP 93 -9.379 -2.849 -5.898 729 H HIS 94 H HIS 94 -5.153 -3.364 -6.166 730 HA HIS 94 HA HIS 94 -4.518 -4.211 -8.904 731 HB2 HIS 94 1HB HIS 94 -2.870 -3.364 -6.558 732 HB3 HIS 94 2HB HIS 94 -2.155 -4.449 -7.747 733 HD1 HIS 94 1HD HIS 94 -3.716 -1.008 -7.520 734 HD2 HIS 94 2HD HIS 94 -1.251 -3.229 -10.021 735 HE1 HIS 94 1HE HIS 94 -2.889 0.610 -9.259 736 HE2 HIS 94 2HE HIS 94 -1.467 -0.775 -10.810 737 H GLU 95 H GLU 95 -4.862 -6.281 -9.336 738 HA GLU 95 HA GLU 95 -5.078 -8.248 -7.249 739 HB2 GLU 95 1HB GLU 95 -5.484 -8.198 -10.199 740 HB3 GLU 95 2HB GLU 95 -5.181 -9.756 -9.443 741 HG2 GLU 95 1HG GLU 95 -7.157 -9.751 -8.303 742 HG3 GLU 95 2HG GLU 95 -7.249 -7.991 -8.249 743 H PHE 96 H PHE 96 -3.238 -8.860 -6.287 744 HA PHE 96 HA PHE 96 -0.942 -9.547 -7.998 745 HB2 PHE 96 1HB PHE 96 -1.076 -8.568 -5.150 746 HB3 PHE 96 2HB PHE 96 0.372 -9.316 -5.816 747 HD1 PHE 96 1HD PHE 96 1.172 -8.280 -8.111 748 HD2 PHE 96 2HD PHE 96 -1.265 -6.285 -5.249 749 HE1 PHE 96 1HE PHE 96 1.871 -6.109 -9.035 750 HE2 PHE 96 2HE PHE 96 -0.572 -4.111 -6.168 751 HZ PHE 96 HZ PHE 96 0.998 -4.020 -8.064 752 H ARG 97 H ARG 97 0.135 -11.491 -7.679 753 HA ARG 97 HA ARG 97 -1.172 -13.412 -5.870 754 HB2 ARG 97 1HB ARG 97 -1.655 -13.609 -8.430 755 HB3 ARG 97 2HB ARG 97 -0.032 -14.282 -8.503 756 HG2 ARG 97 1HG ARG 97 -0.623 -16.101 -7.112 757 HG3 ARG 97 2HG ARG 97 -2.160 -15.353 -6.673 758 HD2 ARG 97 1HD ARG 97 -3.060 -15.711 -8.824 759 HD3 ARG 97 2HD ARG 97 -1.479 -16.089 -9.506 760 HE ARG 97 HE ARG 97 -2.332 -17.897 -7.433 761 HH11 ARG 97 2HH1 ARG 97 -2.401 -17.185 -10.840 762 HH12 ARG 97 1HH1 ARG 97 -2.704 -18.825 -11.310 763 HH21 ARG 97 2HH2 ARG 97 -2.731 -20.059 -8.039 764 HH22 ARG 97 1HH2 ARG 97 -2.893 -20.459 -9.715 765 H THR 98 H THR 98 0.177 -14.390 -4.514 766 HA THR 98 HA THR 98 2.969 -13.835 -4.554 767 HB THR 98 HB THR 98 3.122 -15.250 -2.581 768 HG1 THR 98 1HG THR 98 1.233 -16.383 -1.880 769 HG21 THR 98 1HG2 THR 98 0.947 -13.244 -2.825 770 HG22 THR 98 2HG2 THR 98 2.392 -13.230 -1.814 771 HG23 THR 98 3HG2 THR 98 1.000 -14.208 -1.349 772 H SER 99 H SER 99 4.639 -15.566 -4.400 773 HA SER 99 HA SER 99 4.684 -17.118 -6.731 774 HB2 SER 99 1HB SER 99 6.629 -16.290 -5.187 775 HB3 SER 99 2HB SER 99 6.381 -17.827 -4.359 776 HG SER 99 HG SER 99 7.003 -18.905 -6.134 777 HA PRO 100 HA PRO 100 2.412 -20.726 -5.639 778 HB2 PRO 100 1HB PRO 100 3.497 -22.465 -7.419 779 HB3 PRO 100 2HB PRO 100 2.365 -21.191 -7.888 780 HG2 PRO 100 1HG PRO 100 5.353 -21.234 -8.075 781 HG3 PRO 100 2HG PRO 100 4.166 -20.660 -9.261 782 HD2 PRO 100 1HD PRO 100 5.535 -18.979 -7.638 783 HD3 PRO 100 2HD PRO 100 3.879 -18.642 -8.184 784 HA PRO 101 HA PRO 101 4.947 -22.935 -2.770 785 HB2 PRO 101 1HB PRO 101 3.282 -25.027 -2.299 786 HB3 PRO 101 2HB PRO 101 2.997 -23.408 -1.651 787 HG2 PRO 101 1HG PRO 101 1.787 -24.729 -4.050 788 HG3 PRO 101 2HG PRO 101 1.004 -23.741 -2.802 789 HD2 PRO 101 1HD PRO 101 1.676 -22.754 -5.233 790 HD3 PRO 101 2HD PRO 101 1.690 -21.761 -3.762 791 H SER 102 H SER 102 5.596 -25.336 -2.390 792 HA SER 102 HA SER 102 7.250 -26.222 -4.339 793 HB2 SER 102 1HB SER 102 7.226 -28.421 -3.270 794 HB3 SER 102 2HB SER 102 7.178 -27.151 -2.047 795 HG SER 102 HG SER 102 5.031 -28.751 -2.976 796 H GLY 103 H GLY 103 6.884 -26.678 -6.403 797 HA2 GLY 103 1HA GLY 103 5.799 -28.681 -7.645 798 HA3 GLY 103 2HA GLY 103 4.312 -27.881 -7.161 799 HA PRO 104 HA PRO 104 6.632 -25.119 -10.434 800 HB2 PRO 104 1HB PRO 104 8.294 -26.511 -12.067 801 HB3 PRO 104 2HB PRO 104 8.842 -25.730 -10.579 802 HG2 PRO 104 1HG PRO 104 8.151 -28.602 -11.068 803 HG3 PRO 104 2HG PRO 104 9.511 -27.917 -10.160 804 HD2 PRO 104 1HD PRO 104 7.289 -28.882 -8.949 805 HD3 PRO 104 2HD PRO 104 8.227 -27.529 -8.285 806 H SER 105 H SER 105 4.959 -27.979 -10.584 807 HA SER 105 HA SER 105 4.514 -28.786 -13.088 808 HB2 SER 105 1HB SER 105 2.554 -28.192 -10.894 809 HB3 SER 105 2HB SER 105 1.972 -28.756 -12.461 810 HG SER 105 HG SER 105 3.656 -30.481 -12.117 811 H SER 106 H SER 106 3.241 -28.188 -14.882 812 HA SER 106 HA SER 106 2.827 -25.282 -15.109 813 HB2 SER 106 1HB SER 106 4.500 -26.094 -16.666 814 HB3 SER 106 2HB SER 106 3.404 -27.348 -17.245 815 HG SER 106 HG SER 106 3.611 -25.289 -18.500 816 H GLY 107 H GLY 107 0.724 -25.073 -14.448 817 HA2 GLY 107 1HA GLY 107 -1.321 -26.817 -15.572 818 HA3 GLY 107 2HA GLY 107 -1.564 -25.577 -14.350 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -23.472 -6.975 1.220 2 HA2 GLY 1 1HA GLY 1 -21.534 -6.814 -0.019 3 HA3 GLY 1 2HA GLY 1 -22.325 -7.745 -1.282 4 H SER 2 H SER 2 -20.620 -5.638 -1.866 5 HA SER 2 HA SER 2 -22.483 -3.564 -2.824 6 HB2 SER 2 1HB SER 2 -20.641 -1.988 -2.794 7 HB3 SER 2 2HB SER 2 -20.754 -2.760 -1.212 8 HG SER 2 HG SER 2 -19.133 -4.297 -2.290 9 H SER 3 H SER 3 -19.890 -5.755 -3.652 10 HA SER 3 HA SER 3 -18.802 -6.141 -5.656 11 HB2 SER 3 1HB SER 3 -20.464 -6.894 -7.396 12 HB3 SER 3 2HB SER 3 -20.682 -7.627 -5.807 13 HG SER 3 HG SER 3 -22.622 -6.852 -5.850 14 H GLY 4 H GLY 4 -18.791 -3.410 -5.229 15 HA2 GLY 4 1HA GLY 4 -18.768 -2.463 -7.983 16 HA3 GLY 4 2HA GLY 4 -19.826 -1.595 -6.880 17 H SER 5 H SER 5 -16.463 -2.587 -7.377 18 HA SER 5 HA SER 5 -15.633 -0.094 -6.053 19 HB2 SER 5 1HB SER 5 -14.241 -2.768 -5.774 20 HB3 SER 5 2HB SER 5 -13.734 -1.249 -5.037 21 HG SER 5 HG SER 5 -15.180 -2.935 -3.865 22 H SER 6 H SER 6 -14.325 -2.794 -7.985 23 HA SER 6 HA SER 6 -12.135 -1.756 -9.111 24 HB2 SER 6 1HB SER 6 -12.556 -3.075 -11.111 25 HB3 SER 6 2HB SER 6 -13.110 -3.968 -9.695 26 HG SER 6 HG SER 6 -14.937 -2.319 -11.020 27 H GLY 7 H GLY 7 -11.530 -0.191 -10.510 28 HA2 GLY 7 1HA GLY 7 -13.329 1.059 -12.344 29 HA3 GLY 7 2HA GLY 7 -13.053 2.066 -10.930 30 H ALA 8 H ALA 8 -11.865 1.074 -13.952 31 HA ALA 8 HA ALA 8 -9.110 1.611 -13.621 32 HB1 ALA 8 1HB ALA 8 -10.372 2.108 -16.257 33 HB2 ALA 8 2HB ALA 8 -8.915 1.201 -15.849 34 HB3 ALA 8 3HB ALA 8 -10.504 0.483 -15.583 35 H GLU 9 H GLU 9 -8.992 3.560 -12.429 36 HA GLU 9 HA GLU 9 -9.314 5.949 -14.102 37 HB2 GLU 9 1HB GLU 9 -10.424 5.481 -11.363 38 HB3 GLU 9 2HB GLU 9 -9.912 7.100 -11.816 39 HG2 GLU 9 1HG GLU 9 -11.470 7.161 -13.626 40 HG3 GLU 9 2HG GLU 9 -11.884 5.464 -13.388 41 H SER 10 H SER 10 -7.244 6.481 -14.442 42 HA SER 10 HA SER 10 -5.083 5.953 -12.764 43 HB2 SER 10 1HB SER 10 -5.410 8.131 -14.840 44 HB3 SER 10 2HB SER 10 -3.874 7.676 -14.102 45 HG SER 10 HG SER 10 -5.358 5.609 -15.196 46 H LEU 11 H LEU 11 -3.914 7.206 -11.303 47 HA LEU 11 HA LEU 11 -5.414 9.463 -10.149 48 HB2 LEU 11 1HB LEU 11 -4.334 8.931 -8.028 49 HB3 LEU 11 2HB LEU 11 -5.262 7.567 -8.648 50 HG LEU 11 HG LEU 11 -2.316 7.704 -9.142 51 HD11 LEU 11 1HD1 LEU 11 -2.531 6.113 -6.934 52 HD12 LEU 11 2HD1 LEU 11 -3.627 7.438 -6.544 53 HD13 LEU 11 3HD1 LEU 11 -1.942 7.776 -6.939 54 HD21 LEU 11 1HD2 LEU 11 -3.205 5.130 -8.497 55 HD22 LEU 11 2HD2 LEU 11 -2.790 5.755 -10.093 56 HD23 LEU 11 3HD2 LEU 11 -4.459 5.826 -9.524 57 H SER 12 H SER 12 -3.673 10.720 -8.625 58 HA SER 12 HA SER 12 -2.317 12.494 -10.070 59 HB2 SER 12 1HB SER 12 -2.445 12.232 -7.492 60 HB3 SER 12 2HB SER 12 -0.916 11.369 -7.657 61 HG SER 12 HG SER 12 -0.598 13.515 -9.067 62 H GLY 13 H GLY 13 -0.771 9.489 -8.917 63 HA2 GLY 13 1HA GLY 13 0.483 8.744 -11.238 64 HA3 GLY 13 2HA GLY 13 1.574 9.914 -10.510 65 H LEU 14 H LEU 14 -0.138 6.877 -9.885 66 HA LEU 14 HA LEU 14 2.195 5.912 -8.433 67 HB2 LEU 14 1HB LEU 14 -0.560 6.152 -7.266 68 HB3 LEU 14 2HB LEU 14 0.605 4.976 -6.662 69 HG LEU 14 HG LEU 14 1.090 7.952 -6.715 70 HD11 LEU 14 1HD1 LEU 14 0.834 7.139 -4.083 71 HD12 LEU 14 2HD1 LEU 14 -0.496 6.331 -4.912 72 HD13 LEU 14 3HD1 LEU 14 -0.332 8.084 -5.010 73 HD21 LEU 14 1HD2 LEU 14 2.831 7.291 -5.021 74 HD22 LEU 14 2HD2 LEU 14 3.147 6.774 -6.677 75 HD23 LEU 14 3HD2 LEU 14 2.542 5.616 -5.492 76 H SER 15 H SER 15 2.606 3.822 -8.841 77 HA SER 15 HA SER 15 0.454 2.085 -9.790 78 HB2 SER 15 1HB SER 15 1.484 3.069 -11.814 79 HB3 SER 15 2HB SER 15 3.054 2.454 -11.298 80 HG SER 15 HG SER 15 2.235 0.957 -12.688 81 H LEU 16 H LEU 16 0.507 0.360 -8.525 82 HA LEU 16 HA LEU 16 2.828 -0.368 -7.019 83 HB2 LEU 16 1HB LEU 16 0.137 -1.664 -7.385 84 HB3 LEU 16 2HB LEU 16 1.393 -2.331 -6.345 85 HG LEU 16 HG LEU 16 0.328 0.449 -5.946 86 HD11 LEU 16 1HD1 LEU 16 -0.938 -0.908 -4.032 87 HD12 LEU 16 2HD1 LEU 16 -0.930 -2.145 -5.287 88 HD13 LEU 16 3HD1 LEU 16 -1.663 -0.573 -5.604 89 HD21 LEU 16 1HD2 LEU 16 2.494 -0.539 -4.891 90 HD22 LEU 16 2HD2 LEU 16 1.368 -1.401 -3.844 91 HD23 LEU 16 3HD2 LEU 16 1.360 0.362 -3.885 92 H LYS 17 H LYS 17 4.508 -1.152 -8.155 93 HA LYS 17 HA LYS 17 4.024 -3.177 -10.214 94 HB2 LYS 17 1HB LYS 17 5.473 -1.495 -11.010 95 HB3 LYS 17 2HB LYS 17 6.392 -1.458 -9.511 96 HG2 LYS 17 1HG LYS 17 7.793 -2.535 -11.029 97 HG3 LYS 17 2HG LYS 17 7.088 -3.847 -10.082 98 HD2 LYS 17 1HD LYS 17 5.458 -4.259 -11.853 99 HD3 LYS 17 2HD LYS 17 6.133 -2.927 -12.794 100 HE2 LYS 17 1HE LYS 17 8.239 -4.086 -13.001 101 HE3 LYS 17 2HE LYS 17 7.675 -5.374 -11.937 102 HZ1 LYS 17 1HZ LYS 17 7.494 -6.118 -14.175 103 HZ2 LYS 17 2HZ LYS 17 6.663 -4.723 -14.650 104 HZ3 LYS 17 3HZ LYS 17 5.923 -5.836 -13.613 105 H LEU 18 H LEU 18 4.506 -5.270 -9.943 106 HA LEU 18 HA LEU 18 5.374 -6.165 -7.337 107 HB2 LEU 18 1HB LEU 18 3.598 -7.385 -8.332 108 HB3 LEU 18 2HB LEU 18 4.497 -7.597 -9.832 109 HG LEU 18 HG LEU 18 6.132 -8.991 -8.431 110 HD11 LEU 18 1HD1 LEU 18 4.845 -10.123 -6.514 111 HD12 LEU 18 2HD1 LEU 18 3.835 -8.677 -6.535 112 HD13 LEU 18 3HD1 LEU 18 5.565 -8.539 -6.223 113 HD21 LEU 18 1HD2 LEU 18 3.413 -10.228 -8.630 114 HD22 LEU 18 2HD2 LEU 18 4.990 -10.935 -8.981 115 HD23 LEU 18 3HD2 LEU 18 4.291 -9.747 -10.082 116 H VAL 19 H VAL 19 7.478 -6.120 -6.889 117 HA VAL 19 HA VAL 19 9.421 -6.705 -9.001 118 HB VAL 19 HB VAL 19 11.015 -6.072 -6.972 119 HG11 VAL 19 1HG1 VAL 19 11.270 -3.984 -7.942 120 HG12 VAL 19 2HG1 VAL 19 10.519 -4.916 -9.239 121 HG13 VAL 19 3HG1 VAL 19 9.546 -3.811 -8.267 122 HG21 VAL 19 1HG2 VAL 19 10.054 -4.426 -5.502 123 HG22 VAL 19 2HG2 VAL 19 8.494 -4.553 -6.314 124 HG23 VAL 19 3HG2 VAL 19 9.115 -5.914 -5.382 125 H LYS 20 H LYS 20 8.554 -7.718 -5.712 126 HA LYS 20 HA LYS 20 10.188 -10.137 -6.091 127 HB2 LYS 20 1HB LYS 20 10.764 -8.709 -4.141 128 HB3 LYS 20 2HB LYS 20 9.141 -8.958 -3.511 129 HG2 LYS 20 1HG LYS 20 10.273 -10.540 -2.331 130 HG3 LYS 20 2HG LYS 20 9.801 -11.495 -3.739 131 HD2 LYS 20 1HD LYS 20 12.368 -10.027 -3.911 132 HD3 LYS 20 2HD LYS 20 12.310 -11.408 -2.813 133 HE2 LYS 20 1HE LYS 20 12.030 -12.913 -4.504 134 HE3 LYS 20 2HE LYS 20 11.178 -11.763 -5.533 135 HZ1 LYS 20 1HZ LYS 20 13.077 -11.065 -6.466 136 HZ2 LYS 20 2HZ LYS 20 13.705 -12.539 -5.923 137 HZ3 LYS 20 3HZ LYS 20 13.955 -11.129 -5.022 138 H LYS 21 H LYS 21 8.924 -11.677 -6.940 139 HA LYS 21 HA LYS 21 6.190 -12.000 -5.931 140 HB2 LYS 21 1HB LYS 21 6.873 -11.921 -8.453 141 HB3 LYS 21 2HB LYS 21 7.346 -13.595 -8.192 142 HG2 LYS 21 1HG LYS 21 4.640 -12.774 -7.300 143 HG3 LYS 21 2HG LYS 21 4.931 -12.925 -9.035 144 HD2 LYS 21 1HD LYS 21 5.713 -15.099 -7.118 145 HD3 LYS 21 2HD LYS 21 4.075 -14.990 -7.769 146 HE2 LYS 21 1HE LYS 21 4.963 -15.107 -10.038 147 HE3 LYS 21 2HE LYS 21 6.606 -15.179 -9.402 148 HZ1 LYS 21 1HZ LYS 21 5.801 -17.373 -9.984 149 HZ2 LYS 21 2HZ LYS 21 4.478 -17.201 -8.945 150 HZ3 LYS 21 3HZ LYS 21 6.046 -17.269 -8.313 151 H GLU 22 H GLU 22 6.961 -12.870 -3.892 152 HA GLU 22 HA GLU 22 7.934 -15.641 -4.105 153 HB2 GLU 22 1HB GLU 22 8.270 -13.540 -1.987 154 HB3 GLU 22 2HB GLU 22 8.443 -15.244 -1.590 155 HG2 GLU 22 1HG GLU 22 10.010 -13.879 -3.761 156 HG3 GLU 22 2HG GLU 22 10.573 -14.036 -2.098 157 HA PRO 23 HA PRO 23 4.203 -17.238 -2.440 158 HB2 PRO 23 1HB PRO 23 5.109 -19.268 -0.882 159 HB3 PRO 23 2HB PRO 23 5.130 -19.330 -2.649 160 HG2 PRO 23 1HG PRO 23 7.351 -18.678 -0.750 161 HG3 PRO 23 2HG PRO 23 7.384 -19.693 -2.204 162 HD2 PRO 23 1HD PRO 23 8.292 -17.142 -2.186 163 HD3 PRO 23 2HD PRO 23 7.545 -17.880 -3.618 164 H ARG 24 H ARG 24 6.757 -16.455 -0.143 165 HA ARG 24 HA ARG 24 4.680 -15.806 1.843 166 HB2 ARG 24 1HB ARG 24 7.437 -16.932 2.365 167 HB3 ARG 24 2HB ARG 24 6.317 -16.392 3.608 168 HG2 ARG 24 1HG ARG 24 4.857 -18.166 3.237 169 HG3 ARG 24 2HG ARG 24 5.540 -18.516 1.648 170 HD2 ARG 24 1HD ARG 24 7.625 -19.246 2.725 171 HD3 ARG 24 2HD ARG 24 6.909 -18.926 4.304 172 HE ARG 24 HE ARG 24 6.417 -21.193 2.601 173 HH11 ARG 24 2HH1 ARG 24 5.181 -19.224 5.192 174 HH12 ARG 24 1HH1 ARG 24 4.151 -20.467 5.820 175 HH21 ARG 24 2HH2 ARG 24 5.065 -22.838 3.418 176 HH22 ARG 24 1HH2 ARG 24 4.086 -22.523 4.811 177 H GLN 25 H GLN 25 5.988 -14.140 -0.208 178 HA GLN 25 HA GLN 25 6.535 -11.872 1.421 179 HB2 GLN 25 1HB GLN 25 8.709 -13.015 1.619 180 HB3 GLN 25 2HB GLN 25 8.858 -13.024 -0.133 181 HG2 GLN 25 1HG GLN 25 9.024 -10.648 -0.206 182 HG3 GLN 25 2HG GLN 25 8.623 -10.515 1.505 183 HE21 GLN 25 1HE2 GLN 25 10.884 -9.355 0.421 184 HE22 GLN 25 2HE2 GLN 25 12.284 -10.150 1.047 185 H LEU 26 H LEU 26 6.553 -9.939 0.247 186 HA LEU 26 HA LEU 26 6.555 -9.977 -2.636 187 HB2 LEU 26 1HB LEU 26 4.050 -9.564 -1.049 188 HB3 LEU 26 2HB LEU 26 4.262 -8.774 -2.610 189 HG LEU 26 HG LEU 26 4.292 -11.754 -2.134 190 HD11 LEU 26 1HD1 LEU 26 2.180 -9.851 -3.075 191 HD12 LEU 26 2HD1 LEU 26 2.069 -11.130 -1.867 192 HD13 LEU 26 3HD1 LEU 26 2.175 -11.542 -3.578 193 HD21 LEU 26 1HD2 LEU 26 5.551 -11.601 -4.022 194 HD22 LEU 26 2HD2 LEU 26 4.876 -10.037 -4.481 195 HD23 LEU 26 3HD2 LEU 26 3.950 -11.513 -4.757 196 H GLU 27 H GLU 27 7.354 -8.117 -3.387 197 HA GLU 27 HA GLU 27 7.309 -5.772 -1.601 198 HB2 GLU 27 1HB GLU 27 9.559 -6.789 -1.790 199 HB3 GLU 27 2HB GLU 27 9.500 -6.554 -3.531 200 HG2 GLU 27 1HG GLU 27 9.519 -4.188 -3.292 201 HG3 GLU 27 2HG GLU 27 9.298 -4.306 -1.547 202 H LEU 28 H LEU 28 6.745 -3.833 -2.460 203 HA LEU 28 HA LEU 28 6.140 -3.771 -5.343 204 HB2 LEU 28 1HB LEU 28 4.615 -2.279 -3.223 205 HB3 LEU 28 2HB LEU 28 4.193 -2.472 -4.923 206 HG LEU 28 HG LEU 28 4.197 -4.685 -2.872 207 HD11 LEU 28 1HD1 LEU 28 1.838 -3.325 -4.154 208 HD12 LEU 28 2HD1 LEU 28 2.448 -2.925 -2.549 209 HD13 LEU 28 3HD1 LEU 28 1.822 -4.541 -2.876 210 HD21 LEU 28 1HD2 LEU 28 4.618 -5.134 -5.405 211 HD22 LEU 28 2HD2 LEU 28 2.891 -4.808 -5.555 212 HD23 LEU 28 3HD2 LEU 28 3.455 -6.118 -4.516 213 H THR 29 H THR 29 6.151 -1.612 -6.309 214 HA THR 29 HA THR 29 7.593 0.458 -4.861 215 HB THR 29 HB THR 29 9.476 -0.704 -5.728 216 HG1 THR 29 1HG THR 29 9.136 1.693 -6.246 217 HG21 THR 29 1HG2 THR 29 8.663 -2.192 -7.327 218 HG22 THR 29 2HG2 THR 29 9.592 -1.044 -8.292 219 HG23 THR 29 3HG2 THR 29 7.834 -0.923 -8.228 220 H TRP 30 H TRP 30 6.699 2.354 -5.316 221 HA TRP 30 HA TRP 30 5.458 2.729 -7.961 222 HB2 TRP 30 1HB TRP 30 3.768 4.193 -6.773 223 HB3 TRP 30 2HB TRP 30 3.635 2.467 -6.450 224 HD1 TRP 30 HD TRP 30 4.545 5.769 -4.763 225 HE1 TRP 30 1HE TRP 30 4.619 5.403 -2.216 226 HE3 TRP 30 3HE TRP 30 4.066 0.680 -4.659 227 HZ2 TRP 30 2HZ TRP 30 4.492 3.244 -0.403 228 HZ3 TRP 30 3HZ TRP 30 4.052 -0.459 -2.478 229 HH2 TRP 30 HH TRP 30 4.261 0.798 -0.395 230 H ALA 31 H ALA 31 6.862 4.050 -8.958 231 HA ALA 31 HA ALA 31 7.575 6.555 -7.580 232 HB1 ALA 31 1HB ALA 31 9.420 4.718 -8.035 233 HB2 ALA 31 2HB ALA 31 9.420 5.461 -9.635 234 HB3 ALA 31 3HB ALA 31 9.764 6.439 -8.208 235 H GLY 32 H GLY 32 8.200 8.313 -9.142 236 HA2 GLY 32 1HA GLY 32 6.938 8.065 -11.771 237 HA3 GLY 32 2HA GLY 32 6.292 9.277 -10.674 238 H SER 33 H SER 33 8.110 9.034 -13.282 239 HA SER 33 HA SER 33 10.528 10.298 -12.804 240 HB2 SER 33 1HB SER 33 10.460 11.001 -15.153 241 HB3 SER 33 2HB SER 33 9.891 9.340 -14.985 242 HG SER 33 HG SER 33 7.936 11.283 -14.807 243 H ARG 34 H ARG 34 10.804 12.088 -11.644 244 HA ARG 34 HA ARG 34 9.112 14.417 -12.268 245 HB2 ARG 34 1HB ARG 34 9.084 15.070 -9.967 246 HB3 ARG 34 2HB ARG 34 8.581 13.386 -10.044 247 HG2 ARG 34 1HG ARG 34 11.011 12.814 -9.526 248 HG3 ARG 34 2HG ARG 34 11.189 14.515 -9.093 249 HD2 ARG 34 1HD ARG 34 10.668 13.562 -7.058 250 HD3 ARG 34 2HD ARG 34 9.083 14.082 -7.628 251 HE ARG 34 HE ARG 34 8.459 11.877 -7.832 252 HH11 ARG 34 2HH1 ARG 34 11.893 12.085 -7.304 253 HH12 ARG 34 1HH1 ARG 34 12.088 10.383 -7.043 254 HH21 ARG 34 2HH2 ARG 34 8.702 9.635 -7.490 255 HH22 ARG 34 1HH2 ARG 34 10.272 8.991 -7.150 256 HA PRO 35 HA PRO 35 12.986 16.345 -13.183 257 HB2 PRO 35 1HB PRO 35 12.076 18.898 -13.339 258 HB3 PRO 35 2HB PRO 35 11.790 17.697 -14.604 259 HG2 PRO 35 1HG PRO 35 9.966 18.610 -12.413 260 HG3 PRO 35 2HG PRO 35 9.599 18.306 -14.121 261 HD2 PRO 35 1HD PRO 35 9.019 16.524 -12.166 262 HD3 PRO 35 2HD PRO 35 9.454 16.026 -13.814 263 H ARG 36 H ARG 36 10.879 17.868 -10.746 264 HA ARG 36 HA ARG 36 13.287 18.415 -9.140 265 HB2 ARG 36 1HB ARG 36 12.051 20.424 -10.256 266 HB3 ARG 36 2HB ARG 36 10.859 20.167 -8.988 267 HG2 ARG 36 1HG ARG 36 12.279 21.811 -8.142 268 HG3 ARG 36 2HG ARG 36 12.808 20.322 -7.355 269 HD2 ARG 36 1HD ARG 36 14.657 20.112 -8.875 270 HD3 ARG 36 2HD ARG 36 14.077 21.472 -9.835 271 HE ARG 36 HE ARG 36 14.662 22.071 -7.065 272 HH11 ARG 36 2HH1 ARG 36 15.839 21.978 -10.340 273 HH12 ARG 36 1HH1 ARG 36 17.105 23.125 -10.055 274 HH21 ARG 36 2HH2 ARG 36 16.325 23.582 -6.678 275 HH22 ARG 36 1HH2 ARG 36 17.382 24.037 -7.971 276 H ASN 37 H ASN 37 12.969 18.436 -6.836 277 HA ASN 37 HA ASN 37 11.135 16.386 -5.987 278 HB2 ASN 37 1HB ASN 37 13.306 16.338 -4.995 279 HB3 ASN 37 2HB ASN 37 13.202 18.033 -4.528 280 HD21 ASN 37 1HD2 ASN 37 12.678 14.839 -3.593 281 HD22 ASN 37 2HD2 ASN 37 11.859 15.147 -2.103 282 HA PRO 38 HA PRO 38 7.830 19.018 -4.733 283 HB2 PRO 38 1HB PRO 38 6.604 17.329 -2.996 284 HB3 PRO 38 2HB PRO 38 6.525 17.127 -4.750 285 HG2 PRO 38 1HG PRO 38 8.280 15.740 -2.761 286 HG3 PRO 38 2HG PRO 38 7.401 15.060 -4.143 287 HD2 PRO 38 1HD PRO 38 10.051 15.610 -4.229 288 HD3 PRO 38 2HD PRO 38 9.001 15.740 -5.656 289 H GLY 39 H GLY 39 8.122 20.716 -3.433 290 HA2 GLY 39 1HA GLY 39 9.772 20.870 -1.220 291 HA3 GLY 39 2HA GLY 39 8.424 21.955 -1.522 292 H GLY 40 H GLY 40 9.665 20.262 0.845 293 HA2 GLY 40 1HA GLY 40 8.664 19.819 2.912 294 HA3 GLY 40 2HA GLY 40 7.087 19.892 2.138 295 H ASN 41 H ASN 41 8.988 17.884 3.770 296 HA ASN 41 HA ASN 41 9.168 15.532 2.288 297 HB2 ASN 41 1HB ASN 41 10.344 15.534 4.314 298 HB3 ASN 41 2HB ASN 41 8.947 16.089 5.232 299 HD21 ASN 41 1HD2 ASN 41 8.972 14.461 6.717 300 HD22 ASN 41 2HD2 ASN 41 8.614 12.816 6.330 301 H LEU 42 H LEU 42 7.721 14.107 1.574 302 HA LEU 42 HA LEU 42 4.957 14.329 2.561 303 HB2 LEU 42 1HB LEU 42 6.133 13.717 -0.104 304 HB3 LEU 42 2HB LEU 42 4.578 13.001 0.316 305 HG LEU 42 HG LEU 42 4.977 15.955 0.567 306 HD11 LEU 42 1HD1 LEU 42 4.369 16.314 -1.705 307 HD12 LEU 42 2HD1 LEU 42 4.142 14.588 -1.981 308 HD13 LEU 42 3HD1 LEU 42 5.760 15.229 -1.697 309 HD21 LEU 42 1HD2 LEU 42 2.513 15.755 -0.200 310 HD22 LEU 42 2HD2 LEU 42 2.934 15.318 1.456 311 HD23 LEU 42 3HD2 LEU 42 2.685 14.058 0.247 312 H SER 43 H SER 43 3.714 12.174 2.151 313 HA SER 43 HA SER 43 5.381 9.870 2.871 314 HB2 SER 43 1HB SER 43 3.514 9.244 4.527 315 HB3 SER 43 2HB SER 43 4.624 10.526 5.008 316 HG SER 43 HG SER 43 2.495 11.160 5.401 317 H TYR 44 H TYR 44 3.819 7.846 2.989 318 HA TYR 44 HA TYR 44 1.828 7.986 0.844 319 HB2 TYR 44 1HB TYR 44 3.945 5.833 0.946 320 HB3 TYR 44 2HB TYR 44 2.732 6.079 -0.306 321 HD1 TYR 44 2HD TYR 44 2.859 8.278 -1.641 322 HD2 TYR 44 1HD TYR 44 6.061 6.793 0.735 323 HE1 TYR 44 2HE TYR 44 4.438 9.682 -2.902 324 HE2 TYR 44 1HE TYR 44 7.648 8.193 -0.518 325 HH TYR 44 HH TYR 44 7.592 9.248 -3.024 326 H GLU 45 H GLU 45 0.058 6.770 1.199 327 HA GLU 45 HA GLU 45 0.010 5.173 3.656 328 HB2 GLU 45 1HB GLU 45 -1.669 6.902 3.571 329 HB3 GLU 45 2HB GLU 45 -2.211 6.360 1.989 330 HG2 GLU 45 1HG GLU 45 -3.822 5.459 3.330 331 HG3 GLU 45 2HG GLU 45 -2.681 4.118 3.240 332 H LEU 46 H LEU 46 0.092 3.039 3.526 333 HA LEU 46 HA LEU 46 -0.576 1.750 0.972 334 HB2 LEU 46 1HB LEU 46 1.697 1.521 2.299 335 HB3 LEU 46 2HB LEU 46 0.786 0.299 3.184 336 HG LEU 46 HG LEU 46 2.174 -0.645 1.378 337 HD11 LEU 46 1HD1 LEU 46 -0.675 -1.022 0.564 338 HD12 LEU 46 2HD1 LEU 46 -0.139 -1.530 2.165 339 HD13 LEU 46 3HD1 LEU 46 0.615 -2.214 0.725 340 HD21 LEU 46 1HD2 LEU 46 0.551 0.023 -0.860 341 HD22 LEU 46 2HD2 LEU 46 2.274 0.312 -0.619 342 HD23 LEU 46 3HD2 LEU 46 1.096 1.518 -0.099 343 H HIS 47 H HIS 47 -2.162 0.260 0.817 344 HA HIS 47 HA HIS 47 -3.460 -0.660 3.286 345 HB2 HIS 47 1HB HIS 47 -4.714 1.263 2.245 346 HB3 HIS 47 2HB HIS 47 -4.990 0.237 0.840 347 HD1 HIS 47 1HD HIS 47 -7.527 0.998 1.885 348 HD2 HIS 47 2HD HIS 47 -5.398 -2.065 3.714 349 HE1 HIS 47 1HE HIS 47 -9.228 -0.320 3.186 350 HE2 HIS 47 2HE HIS 47 -7.904 -2.117 4.352 351 H VAL 48 H VAL 48 -3.244 -2.794 3.310 352 HA VAL 48 HA VAL 48 -3.412 -4.264 0.764 353 HB VAL 48 HB VAL 48 -2.160 -5.127 3.376 354 HG11 VAL 48 1HG1 VAL 48 -1.221 -6.938 1.763 355 HG12 VAL 48 2HG1 VAL 48 -2.846 -7.120 2.427 356 HG13 VAL 48 3HG1 VAL 48 -2.627 -6.531 0.778 357 HG21 VAL 48 1HG2 VAL 48 -1.163 -3.503 1.282 358 HG22 VAL 48 2HG2 VAL 48 -0.299 -4.129 2.686 359 HG23 VAL 48 3HG2 VAL 48 -0.338 -5.059 1.188 360 H LEU 49 H LEU 49 -5.008 -5.690 0.441 361 HA LEU 49 HA LEU 49 -6.675 -6.455 2.746 362 HB2 LEU 49 1HB LEU 49 -7.636 -5.861 -0.049 363 HB3 LEU 49 2HB LEU 49 -8.638 -6.358 1.313 364 HG LEU 49 HG LEU 49 -7.655 -4.154 2.390 365 HD11 LEU 49 1HD1 LEU 49 -7.119 -2.443 0.899 366 HD12 LEU 49 2HD1 LEU 49 -7.729 -3.337 -0.494 367 HD13 LEU 49 3HD1 LEU 49 -6.228 -3.836 0.287 368 HD21 LEU 49 1HD2 LEU 49 -9.905 -4.404 0.414 369 HD22 LEU 49 2HD2 LEU 49 -9.614 -2.930 1.336 370 HD23 LEU 49 3HD2 LEU 49 -9.982 -4.437 2.175 371 H ASN 50 H ASN 50 -7.774 -8.493 2.557 372 HA ASN 50 HA ASN 50 -6.806 -10.290 0.462 373 HB2 ASN 50 1HB ASN 50 -5.342 -10.378 2.588 374 HB3 ASN 50 2HB ASN 50 -6.723 -11.171 3.339 375 HD21 ASN 50 1HD2 ASN 50 -5.254 -12.960 3.611 376 HD22 ASN 50 2HD2 ASN 50 -5.005 -14.064 2.306 377 H GLN 51 H GLN 51 -7.881 -12.569 0.897 378 HA GLN 51 HA GLN 51 -10.546 -12.421 0.374 379 HB2 GLN 51 1HB GLN 51 -8.884 -14.567 1.643 380 HB3 GLN 51 2HB GLN 51 -10.621 -14.789 1.484 381 HG2 GLN 51 1HG GLN 51 -10.144 -14.102 -1.009 382 HG3 GLN 51 2HG GLN 51 -8.522 -14.666 -0.613 383 HE21 GLN 51 1HE2 GLN 51 -8.217 -16.657 -1.274 384 HE22 GLN 51 2HE2 GLN 51 -9.371 -17.941 -1.225 385 H ASP 52 H ASP 52 -9.217 -13.191 3.596 386 HA ASP 52 HA ASP 52 -11.581 -11.900 4.778 387 HB2 ASP 52 1HB ASP 52 -11.458 -14.545 4.764 388 HB3 ASP 52 2HB ASP 52 -10.388 -14.277 6.138 389 H GLU 53 H GLU 53 -8.855 -10.941 4.326 390 HA GLU 53 HA GLU 53 -8.287 -10.137 7.068 391 HB2 GLU 53 1HB GLU 53 -6.284 -11.493 5.265 392 HB3 GLU 53 2HB GLU 53 -5.811 -10.514 6.646 393 HG2 GLU 53 1HG GLU 53 -6.908 -12.002 8.162 394 HG3 GLU 53 2HG GLU 53 -7.612 -12.915 6.828 395 H GLU 54 H GLU 54 -8.308 -7.997 7.015 396 HA GLU 54 HA GLU 54 -7.024 -6.635 4.742 397 HB2 GLU 54 1HB GLU 54 -9.304 -6.240 4.357 398 HB3 GLU 54 2HB GLU 54 -9.656 -6.056 6.069 399 HG2 GLU 54 1HG GLU 54 -8.004 -3.999 5.794 400 HG3 GLU 54 2HG GLU 54 -8.573 -4.100 4.129 401 H TRP 55 H TRP 55 -5.362 -5.434 5.352 402 HA TRP 55 HA TRP 55 -5.474 -3.986 7.888 403 HB2 TRP 55 1HB TRP 55 -3.383 -4.779 8.680 404 HB3 TRP 55 2HB TRP 55 -4.289 -6.214 8.205 405 HD1 TRP 55 HD TRP 55 -1.350 -4.022 7.032 406 HE1 TRP 55 1HE TRP 55 0.111 -5.416 5.436 407 HE3 TRP 55 3HE TRP 55 -4.291 -8.189 6.669 408 HZ2 TRP 55 2HZ TRP 55 0.029 -7.947 4.189 409 HZ3 TRP 55 3HZ TRP 55 -3.528 -10.051 5.253 410 HH2 TRP 55 HH TRP 55 -1.413 -9.930 4.039 411 H HIS 56 H HIS 56 -4.504 -2.020 7.830 412 HA HIS 56 HA HIS 56 -3.107 -1.308 5.335 413 HB2 HIS 56 1HB HIS 56 -3.902 1.070 5.961 414 HB3 HIS 56 2HB HIS 56 -5.084 -0.054 5.297 415 HD1 HIS 56 1HD HIS 56 -6.929 1.415 6.477 416 HD2 HIS 56 2HD HIS 56 -4.312 -0.538 9.045 417 HE1 HIS 56 1HE HIS 56 -8.014 1.512 8.743 418 HE2 HIS 56 2HE HIS 56 -6.372 0.399 10.296 419 H GLN 57 H GLN 57 -1.406 0.260 5.485 420 HA GLN 57 HA GLN 57 -0.384 1.004 8.073 421 HB2 GLN 57 1HB GLN 57 1.803 -0.115 7.764 422 HB3 GLN 57 2HB GLN 57 0.479 -1.254 7.967 423 HG2 GLN 57 1HG GLN 57 0.415 -1.544 5.509 424 HG3 GLN 57 2HG GLN 57 1.835 -0.505 5.389 425 HE21 GLN 57 1HE2 GLN 57 3.807 -1.344 5.751 426 HE22 GLN 57 2HE2 GLN 57 4.107 -2.989 6.185 427 H MET 58 H MET 58 0.465 2.965 7.880 428 HA MET 58 HA MET 58 0.932 4.101 5.281 429 HB2 MET 58 1HB MET 58 -0.081 5.486 6.975 430 HB3 MET 58 2HB MET 58 1.270 5.216 8.068 431 HG2 MET 58 1HG MET 58 1.835 6.430 5.420 432 HG3 MET 58 2HG MET 58 1.042 7.420 6.644 433 HE1 MET 58 1HE MET 58 3.273 9.081 8.149 434 HE2 MET 58 2HE MET 58 1.757 8.242 8.480 435 HE3 MET 58 3HE MET 58 3.199 7.864 9.425 436 H VAL 59 H VAL 59 2.806 4.271 4.229 437 HA VAL 59 HA VAL 59 5.285 3.665 5.707 438 HB VAL 59 HB VAL 59 6.217 2.813 3.593 439 HG11 VAL 59 1HG1 VAL 59 3.699 1.276 3.879 440 HG12 VAL 59 2HG1 VAL 59 5.374 0.722 3.886 441 HG13 VAL 59 3HG1 VAL 59 4.690 1.485 5.322 442 HG21 VAL 59 1HG2 VAL 59 3.773 2.401 2.156 443 HG22 VAL 59 2HG2 VAL 59 4.000 4.124 2.460 444 HG23 VAL 59 3HG2 VAL 59 5.253 3.203 1.629 445 H LEU 60 H LEU 60 7.112 4.892 5.294 446 HA LEU 60 HA LEU 60 6.594 7.544 4.253 447 HB2 LEU 60 1HB LEU 60 9.066 6.342 5.490 448 HB3 LEU 60 2HB LEU 60 8.874 8.039 5.052 449 HG LEU 60 HG LEU 60 7.146 6.639 7.086 450 HD11 LEU 60 1HD1 LEU 60 8.586 7.145 8.756 451 HD12 LEU 60 2HD1 LEU 60 9.219 8.569 7.931 452 HD13 LEU 60 3HD1 LEU 60 9.772 6.961 7.463 453 HD21 LEU 60 1HD2 LEU 60 7.649 9.579 6.886 454 HD22 LEU 60 2HD2 LEU 60 6.281 8.720 7.595 455 HD23 LEU 60 3HD2 LEU 60 6.453 8.812 5.841 456 H GLU 61 H GLU 61 8.298 4.652 3.313 457 HA GLU 61 HA GLU 61 9.529 6.023 1.041 458 HB2 GLU 61 1HB GLU 61 10.769 3.944 0.692 459 HB3 GLU 61 2HB GLU 61 10.954 4.517 2.344 460 HG2 GLU 61 1HG GLU 61 8.799 2.557 1.781 461 HG3 GLU 61 2HG GLU 61 10.466 1.987 1.787 462 HA PRO 62 HA PRO 62 6.540 4.648 -1.868 463 HB2 PRO 62 1HB PRO 62 8.081 4.434 -4.092 464 HB3 PRO 62 2HB PRO 62 7.607 5.989 -3.398 465 HG2 PRO 62 1HG PRO 62 10.183 4.491 -3.109 466 HG3 PRO 62 2HG PRO 62 9.920 6.224 -3.379 467 HD2 PRO 62 1HD PRO 62 10.493 5.200 -0.939 468 HD3 PRO 62 2HD PRO 62 9.462 6.629 -1.156 469 H ARG 63 H ARG 63 8.853 2.662 -0.622 470 HA ARG 63 HA ARG 63 7.879 0.361 -2.183 471 HB2 ARG 63 1HB ARG 63 10.052 -0.719 -1.859 472 HB3 ARG 63 2HB ARG 63 10.225 0.806 -2.718 473 HG2 ARG 63 1HG ARG 63 10.711 1.791 -0.373 474 HG3 ARG 63 2HG ARG 63 11.018 0.112 0.076 475 HD2 ARG 63 1HD ARG 63 12.696 -0.070 -1.674 476 HD3 ARG 63 2HD ARG 63 12.357 1.581 -2.193 477 HE ARG 63 HE ARG 63 13.177 1.293 0.567 478 HH11 ARG 63 2HH1 ARG 63 14.157 1.879 -2.722 479 HH12 ARG 63 1HH1 ARG 63 15.639 2.659 -2.278 480 HH21 ARG 63 2HH2 ARG 63 15.125 2.318 1.163 481 HH22 ARG 63 1HH2 ARG 63 16.190 2.908 -0.068 482 H VAL 64 H VAL 64 7.093 -1.329 -1.056 483 HA VAL 64 HA VAL 64 7.458 -1.326 1.867 484 HB VAL 64 HB VAL 64 5.222 -0.504 1.404 485 HG11 VAL 64 1HG1 VAL 64 4.484 -1.180 -0.635 486 HG12 VAL 64 2HG1 VAL 64 5.182 -2.793 -0.478 487 HG13 VAL 64 3HG1 VAL 64 3.674 -2.398 0.349 488 HG21 VAL 64 1HG2 VAL 64 5.851 -2.720 2.991 489 HG22 VAL 64 2HG2 VAL 64 4.471 -1.635 3.166 490 HG23 VAL 64 3HG2 VAL 64 4.316 -3.113 2.215 491 H LEU 65 H LEU 65 7.775 -3.284 2.831 492 HA LEU 65 HA LEU 65 7.972 -5.602 1.026 493 HB2 LEU 65 1HB LEU 65 10.017 -4.572 2.302 494 HB3 LEU 65 2HB LEU 65 9.363 -5.481 3.663 495 HG LEU 65 HG LEU 65 11.149 -6.709 2.549 496 HD11 LEU 65 1HD1 LEU 65 8.380 -7.850 2.258 497 HD12 LEU 65 2HD1 LEU 65 9.505 -8.059 3.599 498 HD13 LEU 65 3HD1 LEU 65 9.851 -8.797 2.035 499 HD21 LEU 65 1HD2 LEU 65 9.639 -7.339 0.135 500 HD22 LEU 65 2HD2 LEU 65 11.344 -6.937 0.335 501 HD23 LEU 65 3HD2 LEU 65 10.141 -5.651 0.227 502 H LEU 66 H LEU 66 6.317 -6.946 1.267 503 HA LEU 66 HA LEU 66 5.082 -7.237 3.914 504 HB2 LEU 66 1HB LEU 66 4.068 -8.094 1.207 505 HB3 LEU 66 2HB LEU 66 3.193 -8.235 2.730 506 HG LEU 66 HG LEU 66 4.019 -5.619 1.475 507 HD11 LEU 66 1HD1 LEU 66 2.401 -6.760 0.063 508 HD12 LEU 66 2HD1 LEU 66 1.662 -5.378 0.870 509 HD13 LEU 66 3HD1 LEU 66 1.345 -7.012 1.453 510 HD21 LEU 66 1HD2 LEU 66 3.774 -5.352 3.818 511 HD22 LEU 66 2HD2 LEU 66 2.313 -6.340 3.849 512 HD23 LEU 66 3HD2 LEU 66 2.287 -4.751 3.084 513 H THR 67 H THR 67 5.675 -8.925 5.086 514 HA THR 67 HA THR 67 6.509 -11.387 3.694 515 HB THR 67 HB THR 67 7.894 -11.903 5.682 516 HG1 THR 67 1HG THR 67 7.594 -9.224 6.516 517 HG21 THR 67 1HG2 THR 67 9.023 -9.302 5.089 518 HG22 THR 67 2HG2 THR 67 8.440 -10.104 3.630 519 HG23 THR 67 3HG2 THR 67 9.617 -10.908 4.668 520 H LYS 68 H LYS 68 6.391 -13.318 5.347 521 HA LYS 68 HA LYS 68 5.069 -14.771 6.493 522 HB2 LYS 68 1HB LYS 68 4.375 -12.145 7.718 523 HB3 LYS 68 2HB LYS 68 3.344 -13.521 8.086 524 HG2 LYS 68 1HG LYS 68 5.046 -14.670 9.167 525 HG3 LYS 68 2HG LYS 68 6.313 -13.712 8.397 526 HD2 LYS 68 1HD LYS 68 4.323 -12.485 10.284 527 HD3 LYS 68 2HD LYS 68 5.808 -13.245 10.862 528 HE2 LYS 68 1HE LYS 68 7.061 -11.730 9.288 529 HE3 LYS 68 2HE LYS 68 5.541 -10.879 9.016 530 HZ1 LYS 68 1HZ LYS 68 6.944 -9.836 10.726 531 HZ2 LYS 68 2HZ LYS 68 6.819 -11.232 11.673 532 HZ3 LYS 68 3HZ LYS 68 5.439 -10.315 11.332 533 H LEU 69 H LEU 69 4.293 -14.131 3.893 534 HA LEU 69 HA LEU 69 1.369 -13.936 4.015 535 HB2 LEU 69 1HB LEU 69 3.143 -13.893 1.581 536 HB3 LEU 69 2HB LEU 69 1.429 -13.489 1.656 537 HG LEU 69 HG LEU 69 3.605 -11.905 3.016 538 HD11 LEU 69 1HD1 LEU 69 2.314 -11.606 0.324 539 HD12 LEU 69 2HD1 LEU 69 4.030 -11.626 0.729 540 HD13 LEU 69 3HD1 LEU 69 3.035 -10.239 1.175 541 HD21 LEU 69 1HD2 LEU 69 1.557 -10.217 2.743 542 HD22 LEU 69 2HD2 LEU 69 1.757 -11.253 4.156 543 HD23 LEU 69 3HD2 LEU 69 0.655 -11.728 2.862 544 H GLN 70 H GLN 70 0.124 -15.379 2.570 545 HA GLN 70 HA GLN 70 1.123 -18.107 2.820 546 HB2 GLN 70 1HB GLN 70 -1.603 -16.968 2.216 547 HB3 GLN 70 2HB GLN 70 -1.252 -18.689 2.139 548 HG2 GLN 70 1HG GLN 70 -2.107 -18.495 4.252 549 HG3 GLN 70 2HG GLN 70 -0.379 -18.340 4.564 550 HE21 GLN 70 1HE2 GLN 70 -3.379 -17.009 5.091 551 HE22 GLN 70 2HE2 GLN 70 -2.890 -15.446 5.640 552 HA PRO 71 HA PRO 71 2.145 -18.489 -1.446 553 HB2 PRO 71 1HB PRO 71 2.006 -21.191 -1.669 554 HB3 PRO 71 2HB PRO 71 3.327 -20.363 -0.837 555 HG2 PRO 71 1HG PRO 71 0.897 -21.682 0.310 556 HG3 PRO 71 2HG PRO 71 2.577 -21.751 0.872 557 HD2 PRO 71 1HD PRO 71 0.721 -20.148 2.021 558 HD3 PRO 71 2HD PRO 71 2.438 -19.708 1.931 559 H ASP 72 H ASP 72 1.146 -18.659 -3.410 560 HA ASP 72 HA ASP 72 -0.580 -18.686 -4.895 561 HB2 ASP 72 1HB ASP 72 -0.312 -21.093 -4.706 562 HB3 ASP 72 2HB ASP 72 -1.327 -21.122 -3.266 563 H THR 73 H THR 73 -1.002 -16.781 -3.093 564 HA THR 73 HA THR 73 -3.904 -16.898 -2.671 565 HB THR 73 HB THR 73 -1.979 -15.778 -0.626 566 HG1 THR 73 1HG THR 73 -2.269 -18.217 -0.944 567 HG21 THR 73 1HG2 THR 73 -4.947 -16.264 -0.392 568 HG22 THR 73 2HG2 THR 73 -4.242 -14.702 -0.809 569 HG23 THR 73 3HG2 THR 73 -3.898 -15.435 0.757 570 H THR 74 H THR 74 -4.937 -15.150 -3.403 571 HA THR 74 HA THR 74 -3.480 -13.054 -4.686 572 HB THR 74 HB THR 74 -6.444 -13.314 -4.144 573 HG1 THR 74 1HG THR 74 -5.449 -13.558 -6.713 574 HG21 THR 74 1HG2 THR 74 -5.600 -10.969 -4.547 575 HG22 THR 74 2HG2 THR 74 -6.796 -11.551 -5.705 576 HG23 THR 74 3HG2 THR 74 -5.088 -11.512 -6.145 577 H TYR 75 H TYR 75 -2.993 -11.057 -3.985 578 HA TYR 75 HA TYR 75 -4.168 -10.139 -1.450 579 HB2 TYR 75 1HB TYR 75 -1.259 -10.276 -2.207 580 HB3 TYR 75 2HB TYR 75 -1.834 -9.125 -1.006 581 HD1 TYR 75 2HD TYR 75 -2.928 -9.982 1.082 582 HD2 TYR 75 1HD TYR 75 -0.951 -12.561 -1.664 583 HE1 TYR 75 2HE TYR 75 -2.798 -11.720 2.817 584 HE2 TYR 75 1HE TYR 75 -0.816 -14.307 0.063 585 HH TYR 75 HH TYR 75 -1.671 -14.956 2.095 586 H ILE 76 H ILE 76 -5.099 -8.226 -1.674 587 HA ILE 76 HA ILE 76 -4.489 -6.589 -4.005 588 HB ILE 76 HB ILE 76 -6.593 -6.074 -1.906 589 HG12 ILE 76 1HG1 ILE 76 -6.900 -8.306 -2.924 590 HG13 ILE 76 2HG1 ILE 76 -8.182 -7.190 -3.382 591 HG21 ILE 76 1HG2 ILE 76 -6.201 -5.080 -4.724 592 HG22 ILE 76 2HG2 ILE 76 -7.658 -4.810 -3.769 593 HG23 ILE 76 3HG2 ILE 76 -6.118 -4.138 -3.235 594 HD11 ILE 76 1HD1 ILE 76 -7.490 -8.519 -5.275 595 HD12 ILE 76 2HD1 ILE 76 -7.070 -6.825 -5.534 596 HD13 ILE 76 3HD1 ILE 76 -5.822 -7.982 -5.072 597 H VAL 77 H VAL 77 -3.592 -4.586 -3.951 598 HA VAL 77 HA VAL 77 -3.043 -3.340 -1.361 599 HB VAL 77 HB VAL 77 -0.896 -3.859 -3.423 600 HG11 VAL 77 1HG1 VAL 77 -0.068 -1.951 -2.563 601 HG12 VAL 77 2HG1 VAL 77 -1.092 -2.031 -1.127 602 HG13 VAL 77 3HG1 VAL 77 0.391 -2.983 -1.209 603 HG21 VAL 77 1HG2 VAL 77 -1.304 -4.987 -0.656 604 HG22 VAL 77 2HG2 VAL 77 -1.402 -5.869 -2.180 605 HG23 VAL 77 3HG2 VAL 77 0.144 -5.217 -1.637 606 H ARG 78 H ARG 78 -2.870 -1.118 -1.418 607 HA ARG 78 HA ARG 78 -2.860 0.255 -3.981 608 HB2 ARG 78 1HB ARG 78 -4.883 1.611 -3.271 609 HB3 ARG 78 2HB ARG 78 -5.200 -0.043 -3.778 610 HG2 ARG 78 1HG ARG 78 -5.034 -0.578 -1.244 611 HG3 ARG 78 2HG ARG 78 -5.315 1.153 -1.047 612 HD2 ARG 78 1HD ARG 78 -7.082 -0.702 -2.637 613 HD3 ARG 78 2HD ARG 78 -7.388 -0.216 -0.970 614 HE ARG 78 HE ARG 78 -7.194 2.152 -2.190 615 HH11 ARG 78 2HH1 ARG 78 -8.948 -0.734 -3.037 616 HH12 ARG 78 1HH1 ARG 78 -10.221 0.120 -3.845 617 HH21 ARG 78 2HH2 ARG 78 -8.864 3.287 -3.251 618 HH22 ARG 78 1HH2 ARG 78 -10.171 2.407 -3.967 619 H VAL 79 H VAL 79 -1.417 1.824 -3.785 620 HA VAL 79 HA VAL 79 -1.013 3.058 -1.143 621 HB VAL 79 HB VAL 79 0.948 1.904 -2.205 622 HG11 VAL 79 1HG1 VAL 79 1.526 2.315 -4.309 623 HG12 VAL 79 2HG1 VAL 79 0.133 3.389 -4.453 624 HG13 VAL 79 3HG1 VAL 79 1.699 4.035 -3.961 625 HG21 VAL 79 1HG2 VAL 79 2.271 4.317 -2.082 626 HG22 VAL 79 2HG2 VAL 79 0.823 4.602 -1.116 627 HG23 VAL 79 3HG2 VAL 79 1.902 3.267 -0.713 628 H ARG 80 H ARG 80 -0.935 5.285 -0.924 629 HA ARG 80 HA ARG 80 -1.514 6.917 -3.283 630 HB2 ARG 80 1HB ARG 80 -3.415 7.955 -2.357 631 HB3 ARG 80 2HB ARG 80 -3.654 6.236 -2.070 632 HG2 ARG 80 1HG ARG 80 -3.231 6.430 0.208 633 HG3 ARG 80 2HG ARG 80 -2.418 7.985 0.019 634 HD2 ARG 80 1HD ARG 80 -4.533 9.043 -0.546 635 HD3 ARG 80 2HD ARG 80 -5.358 7.489 -0.435 636 HE ARG 80 HE ARG 80 -3.996 8.165 1.981 637 HH11 ARG 80 2HH1 ARG 80 -6.891 8.734 0.133 638 HH12 ARG 80 1HH1 ARG 80 -7.849 9.145 1.516 639 HH21 ARG 80 2HH2 ARG 80 -5.248 8.704 3.810 640 HH22 ARG 80 1HH2 ARG 80 -6.913 9.129 3.607 641 H THR 81 H THR 81 -0.744 9.000 -3.184 642 HA THR 81 HA THR 81 1.321 9.494 -1.255 643 HB THR 81 HB THR 81 0.264 11.433 -3.315 644 HG1 THR 81 1HG THR 81 0.871 9.573 -4.413 645 HG21 THR 81 1HG2 THR 81 1.753 12.755 -2.270 646 HG22 THR 81 2HG2 THR 81 2.971 11.783 -3.097 647 HG23 THR 81 3HG2 THR 81 2.512 11.398 -1.438 648 H LEU 82 H LEU 82 0.503 9.845 0.763 649 HA LEU 82 HA LEU 82 -1.793 11.344 1.368 650 HB2 LEU 82 1HB LEU 82 0.533 10.303 2.878 651 HB3 LEU 82 2HB LEU 82 -0.404 11.589 3.637 652 HG LEU 82 HG LEU 82 -1.554 8.966 2.691 653 HD11 LEU 82 1HD1 LEU 82 -0.060 8.507 4.501 654 HD12 LEU 82 2HD1 LEU 82 -1.709 8.462 5.125 655 HD13 LEU 82 3HD1 LEU 82 -0.688 9.867 5.432 656 HD21 LEU 82 1HD2 LEU 82 -3.487 9.650 4.047 657 HD22 LEU 82 2HD2 LEU 82 -3.178 10.767 2.717 658 HD23 LEU 82 3HD2 LEU 82 -2.704 11.199 4.361 659 H THR 83 H THR 83 -2.133 13.462 1.845 660 HA THR 83 HA THR 83 0.172 15.284 1.758 661 HB THR 83 HB THR 83 -0.794 16.747 0.220 662 HG1 THR 83 1HG THR 83 -2.924 16.938 -0.087 663 HG21 THR 83 1HG2 THR 83 -2.027 14.619 -1.269 664 HG22 THR 83 2HG2 THR 83 -0.557 14.037 -0.487 665 HG23 THR 83 3HG2 THR 83 -0.492 15.437 -1.557 666 HA PRO 84 HA PRO 84 -1.626 17.195 5.281 667 HB2 PRO 84 1HB PRO 84 -0.735 19.742 4.982 668 HB3 PRO 84 2HB PRO 84 0.319 18.405 5.458 669 HG2 PRO 84 1HG PRO 84 -0.058 19.653 2.763 670 HG3 PRO 84 2HG PRO 84 1.443 19.153 3.565 671 HD2 PRO 84 1HD PRO 84 0.239 17.652 1.660 672 HD3 PRO 84 2HD PRO 84 1.152 16.937 3.004 673 H LEU 85 H LEU 85 -2.064 18.863 2.186 674 HA LEU 85 HA LEU 85 -4.733 19.703 3.106 675 HB2 LEU 85 1HB LEU 85 -2.718 21.212 1.466 676 HB3 LEU 85 2HB LEU 85 -4.429 21.635 1.475 677 HG LEU 85 HG LEU 85 -2.746 21.564 3.971 678 HD11 LEU 85 1HD1 LEU 85 -1.826 23.174 2.332 679 HD12 LEU 85 2HD1 LEU 85 -2.477 23.946 3.777 680 HD13 LEU 85 3HD1 LEU 85 -3.400 23.968 2.275 681 HD21 LEU 85 1HD2 LEU 85 -5.097 21.430 4.409 682 HD22 LEU 85 2HD2 LEU 85 -5.432 22.748 3.286 683 HD23 LEU 85 3HD2 LEU 85 -4.558 23.067 4.785 684 H GLY 86 H GLY 86 -5.807 17.983 2.162 685 HA2 GLY 86 1HA GLY 86 -7.109 17.179 0.409 686 HA3 GLY 86 2HA GLY 86 -6.228 18.230 -0.691 687 HA PRO 87 HA PRO 87 -3.724 14.099 -0.073 688 HB2 PRO 87 1HB PRO 87 -5.251 11.984 0.678 689 HB3 PRO 87 2HB PRO 87 -4.409 13.020 1.836 690 HG2 PRO 87 1HG PRO 87 -7.280 13.067 0.991 691 HG3 PRO 87 2HG PRO 87 -6.590 13.230 2.616 692 HD2 PRO 87 1HD PRO 87 -7.421 15.360 1.167 693 HD3 PRO 87 2HD PRO 87 -6.064 15.452 2.307 694 H GLY 88 H GLY 88 -3.406 12.646 -1.741 695 HA2 GLY 88 1HA GLY 88 -5.121 12.902 -4.005 696 HA3 GLY 88 2HA GLY 88 -3.707 11.865 -3.887 697 HA PRO 89 HA PRO 89 -7.838 9.482 -3.677 698 HB2 PRO 89 1HB PRO 89 -7.929 8.572 -6.233 699 HB3 PRO 89 2HB PRO 89 -8.687 10.086 -5.725 700 HG2 PRO 89 1HG PRO 89 -6.059 9.649 -7.090 701 HG3 PRO 89 2HG PRO 89 -7.298 10.876 -7.414 702 HD2 PRO 89 1HD PRO 89 -5.057 11.409 -5.990 703 HD3 PRO 89 2HD PRO 89 -6.606 12.216 -5.671 704 H PHE 90 H PHE 90 -7.836 7.317 -3.268 705 HA PHE 90 HA PHE 90 -5.381 5.964 -3.032 706 HB2 PHE 90 1HB PHE 90 -8.244 5.268 -2.648 707 HB3 PHE 90 2HB PHE 90 -7.117 3.929 -2.843 708 HD1 PHE 90 2HD PHE 90 -5.279 3.617 -1.228 709 HD2 PHE 90 1HD PHE 90 -8.294 6.567 -0.664 710 HE1 PHE 90 2HE PHE 90 -4.650 3.802 1.144 711 HE2 PHE 90 1HE PHE 90 -7.670 6.758 1.708 712 HZ PHE 90 HZ PHE 90 -5.846 5.373 2.615 713 H SER 91 H SER 91 -4.453 4.312 -4.206 714 HA SER 91 HA SER 91 -4.804 4.368 -7.001 715 HB2 SER 91 1HB SER 91 -2.979 2.964 -7.107 716 HB3 SER 91 2HB SER 91 -2.768 3.607 -5.478 717 HG SER 91 HG SER 91 -3.873 1.113 -6.240 718 HA PRO 92 HA PRO 92 -7.967 1.433 -7.798 719 HB2 PRO 92 1HB PRO 92 -7.084 0.301 -10.103 720 HB3 PRO 92 2HB PRO 92 -7.724 1.947 -10.024 721 HG2 PRO 92 1HG PRO 92 -4.877 1.021 -10.063 722 HG3 PRO 92 2HG PRO 92 -5.626 2.370 -10.936 723 HD2 PRO 92 1HD PRO 92 -4.177 2.722 -8.676 724 HD3 PRO 92 2HD PRO 92 -5.550 3.764 -9.102 725 H ASP 93 H ASP 93 -8.456 -0.550 -7.081 726 HA ASP 93 HA ASP 93 -6.872 -2.217 -5.693 727 HB2 ASP 93 1HB ASP 93 -8.426 -4.115 -6.556 728 HB3 ASP 93 2HB ASP 93 -9.133 -2.778 -5.653 729 H HIS 94 H HIS 94 -5.051 -3.265 -6.099 730 HA HIS 94 HA HIS 94 -4.462 -4.062 -8.867 731 HB2 HIS 94 1HB HIS 94 -2.751 -3.254 -6.549 732 HB3 HIS 94 2HB HIS 94 -2.076 -4.318 -7.780 733 HD1 HIS 94 1HD HIS 94 -3.352 -0.826 -7.279 734 HD2 HIS 94 2HD HIS 94 -1.494 -3.105 -10.213 735 HE1 HIS 94 1HE HIS 94 -2.634 0.811 -9.048 736 HE2 HIS 94 2HE HIS 94 -1.589 -0.601 -10.852 737 H GLU 95 H GLU 95 -5.222 -6.087 -9.128 738 HA GLU 95 HA GLU 95 -5.228 -8.060 -7.082 739 HB2 GLU 95 1HB GLU 95 -5.860 -7.988 -9.989 740 HB3 GLU 95 2HB GLU 95 -5.534 -9.559 -9.270 741 HG2 GLU 95 1HG GLU 95 -7.378 -9.451 -7.875 742 HG3 GLU 95 2HG GLU 95 -7.497 -7.697 -8.005 743 H PHE 96 H PHE 96 -3.436 -8.925 -6.279 744 HA PHE 96 HA PHE 96 -1.244 -9.583 -8.134 745 HB2 PHE 96 1HB PHE 96 -1.156 -8.807 -5.216 746 HB3 PHE 96 2HB PHE 96 0.225 -9.471 -6.081 747 HD1 PHE 96 1HD PHE 96 0.724 -8.212 -8.384 748 HD2 PHE 96 2HD PHE 96 -1.285 -6.530 -5.030 749 HE1 PHE 96 1HE PHE 96 1.325 -5.956 -9.160 750 HE2 PHE 96 2HE PHE 96 -0.689 -4.271 -5.801 751 HZ PHE 96 HZ PHE 96 0.617 -3.981 -7.869 752 H ARG 97 H ARG 97 -0.079 -11.538 -7.758 753 HA ARG 97 HA ARG 97 -1.469 -13.507 -6.075 754 HB2 ARG 97 1HB ARG 97 -2.090 -13.712 -8.515 755 HB3 ARG 97 2HB ARG 97 -0.409 -14.116 -8.835 756 HG2 ARG 97 1HG ARG 97 -0.562 -16.105 -7.528 757 HG3 ARG 97 2HG ARG 97 -2.167 -15.659 -6.945 758 HD2 ARG 97 1HD ARG 97 -2.339 -17.339 -8.686 759 HD3 ARG 97 2HD ARG 97 -3.028 -15.813 -9.238 760 HE ARG 97 HE ARG 97 -0.604 -17.093 -10.214 761 HH11 ARG 97 2HH1 ARG 97 -2.679 -14.298 -10.206 762 HH12 ARG 97 1HH1 ARG 97 -2.038 -13.656 -11.683 763 HH21 ARG 97 2HH2 ARG 97 0.248 -16.259 -12.158 764 HH22 ARG 97 1HH2 ARG 97 -0.374 -14.773 -12.792 765 H THR 98 H THR 98 -0.155 -14.621 -4.784 766 HA THR 98 HA THR 98 2.689 -14.162 -4.913 767 HB THR 98 HB THR 98 2.706 -15.707 -2.882 768 HG1 THR 98 1HG THR 98 0.877 -16.605 -2.315 769 HG21 THR 98 1HG2 THR 98 1.820 -13.984 -1.400 770 HG22 THR 98 2HG2 THR 98 0.975 -13.234 -2.754 771 HG23 THR 98 3HG2 THR 98 2.737 -13.253 -2.716 772 H SER 99 H SER 99 4.297 -15.776 -5.074 773 HA SER 99 HA SER 99 4.043 -17.593 -7.122 774 HB2 SER 99 1HB SER 99 6.231 -16.963 -6.386 775 HB3 SER 99 2HB SER 99 5.935 -17.591 -4.765 776 HG SER 99 HG SER 99 7.166 -18.904 -6.463 777 HA PRO 100 HA PRO 100 1.739 -20.988 -5.533 778 HB2 PRO 100 1HB PRO 100 2.624 -22.934 -7.207 779 HB3 PRO 100 2HB PRO 100 1.510 -21.660 -7.718 780 HG2 PRO 100 1HG PRO 100 4.471 -21.855 -8.106 781 HG3 PRO 100 2HG PRO 100 3.223 -21.342 -9.257 782 HD2 PRO 100 1HD PRO 100 4.771 -19.579 -7.904 783 HD3 PRO 100 2HD PRO 100 3.093 -19.221 -8.364 784 HA PRO 101 HA PRO 101 4.430 -22.984 -2.640 785 HB2 PRO 101 1HB PRO 101 2.689 -24.866 -1.747 786 HB3 PRO 101 2HB PRO 101 2.582 -23.162 -1.287 787 HG2 PRO 101 1HG PRO 101 1.041 -24.663 -3.369 788 HG3 PRO 101 2HG PRO 101 0.461 -23.474 -2.189 789 HD2 PRO 101 1HD PRO 101 0.937 -22.844 -4.779 790 HD3 PRO 101 2HD PRO 101 1.172 -21.684 -3.456 791 H SER 102 H SER 102 2.401 -25.182 -4.592 792 HA SER 102 HA SER 102 4.796 -26.835 -5.050 793 HB2 SER 102 1HB SER 102 3.091 -27.828 -3.427 794 HB3 SER 102 2HB SER 102 2.008 -27.970 -4.812 795 HG SER 102 HG SER 102 4.556 -28.960 -5.200 796 H GLY 103 H GLY 103 5.315 -26.439 -7.113 797 HA2 GLY 103 1HA GLY 103 3.734 -27.391 -9.231 798 HA3 GLY 103 2HA GLY 103 3.534 -25.648 -9.135 799 HA PRO 104 HA PRO 104 8.185 -26.604 -10.184 800 HB2 PRO 104 1HB PRO 104 8.630 -29.071 -11.226 801 HB3 PRO 104 2HB PRO 104 8.755 -28.721 -9.498 802 HG2 PRO 104 1HG PRO 104 6.497 -29.963 -11.022 803 HG3 PRO 104 2HG PRO 104 7.180 -30.431 -9.454 804 HD2 PRO 104 1HD PRO 104 4.895 -28.995 -9.678 805 HD3 PRO 104 2HD PRO 104 6.020 -28.795 -8.318 806 H SER 105 H SER 105 5.341 -27.155 -11.878 807 HA SER 105 HA SER 105 6.533 -27.281 -14.516 808 HB2 SER 105 1HB SER 105 4.415 -28.478 -13.991 809 HB3 SER 105 2HB SER 105 3.627 -26.920 -13.743 810 HG SER 105 HG SER 105 4.157 -26.424 -15.934 811 H SER 106 H SER 106 4.269 -25.031 -12.917 812 HA SER 106 HA SER 106 4.626 -22.981 -14.840 813 HB2 SER 106 1HB SER 106 3.360 -21.572 -13.302 814 HB3 SER 106 2HB SER 106 2.619 -23.169 -13.396 815 HG SER 106 HG SER 106 3.132 -22.042 -11.226 816 H GLY 107 H GLY 107 5.941 -23.467 -11.573 817 HA2 GLY 107 1HA GLY 107 7.626 -21.111 -11.832 818 HA3 GLY 107 2HA GLY 107 7.507 -22.161 -10.428 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.998 -18.759 -9.947 2 HA2 GLY 1 1HA GLY 1 -10.665 -18.399 -8.891 3 HA3 GLY 1 2HA GLY 1 -9.636 -16.982 -8.736 4 H SER 2 H SER 2 -11.255 -15.959 -10.110 5 HA SER 2 HA SER 2 -11.748 -16.791 -12.758 6 HB2 SER 2 1HB SER 2 -12.971 -15.018 -11.258 7 HB3 SER 2 2HB SER 2 -11.825 -13.894 -11.987 8 HG SER 2 HG SER 2 -12.596 -14.560 -14.035 9 H SER 3 H SER 3 -11.061 -15.709 -14.734 10 HA SER 3 HA SER 3 -8.193 -15.276 -14.716 11 HB2 SER 3 1HB SER 3 -8.940 -16.697 -16.466 12 HB3 SER 3 2HB SER 3 -10.234 -15.588 -16.918 13 HG SER 3 HG SER 3 -7.609 -15.610 -17.672 14 H GLY 4 H GLY 4 -7.441 -13.306 -14.302 15 HA2 GLY 4 1HA GLY 4 -7.983 -11.082 -15.916 16 HA3 GLY 4 2HA GLY 4 -8.954 -10.936 -14.459 17 H SER 5 H SER 5 -6.636 -9.363 -15.506 18 HA SER 5 HA SER 5 -5.202 -9.218 -12.988 19 HB2 SER 5 1HB SER 5 -3.851 -10.827 -14.242 20 HB3 SER 5 2HB SER 5 -3.755 -9.709 -15.603 21 HG SER 5 HG SER 5 -2.802 -8.226 -13.936 22 H SER 6 H SER 6 -4.920 -7.158 -12.449 23 HA SER 6 HA SER 6 -5.777 -5.045 -14.098 24 HB2 SER 6 1HB SER 6 -4.364 -5.220 -11.464 25 HB3 SER 6 2HB SER 6 -4.474 -3.659 -12.277 26 HG SER 6 HG SER 6 -6.619 -3.663 -12.041 27 H GLY 7 H GLY 7 -4.422 -3.120 -14.660 28 HA2 GLY 7 1HA GLY 7 -1.785 -2.806 -14.880 29 HA3 GLY 7 2HA GLY 7 -2.064 -4.043 -16.096 30 H ALA 8 H ALA 8 -4.477 -3.218 -17.159 31 HA ALA 8 HA ALA 8 -3.717 -1.373 -19.078 32 HB1 ALA 8 1HB ALA 8 -6.594 -1.480 -18.376 33 HB2 ALA 8 2HB ALA 8 -5.802 -1.622 -19.946 34 HB3 ALA 8 3HB ALA 8 -5.814 -2.993 -18.837 35 H GLU 9 H GLU 9 -5.481 -0.838 -16.052 36 HA GLU 9 HA GLU 9 -5.413 2.052 -16.531 37 HB2 GLU 9 1HB GLU 9 -6.980 2.215 -14.652 38 HB3 GLU 9 2HB GLU 9 -7.576 1.118 -15.890 39 HG2 GLU 9 1HG GLU 9 -6.418 -0.695 -14.388 40 HG3 GLU 9 2HG GLU 9 -6.613 0.533 -13.139 41 H SER 10 H SER 10 -3.161 2.299 -16.147 42 HA SER 10 HA SER 10 -2.213 1.728 -13.441 43 HB2 SER 10 1HB SER 10 0.014 2.436 -14.370 44 HB3 SER 10 2HB SER 10 -0.700 1.044 -15.185 45 HG SER 10 HG SER 10 -1.263 3.584 -16.198 46 H LEU 11 H LEU 11 -3.008 3.263 -12.097 47 HA LEU 11 HA LEU 11 -3.617 5.875 -12.545 48 HB2 LEU 11 1HB LEU 11 -4.125 4.958 -10.439 49 HB3 LEU 11 2HB LEU 11 -2.441 4.546 -10.124 50 HG LEU 11 HG LEU 11 -1.958 6.997 -9.963 51 HD11 LEU 11 1HD1 LEU 11 -3.539 8.287 -10.902 52 HD12 LEU 11 2HD1 LEU 11 -4.313 8.159 -9.322 53 HD13 LEU 11 3HD1 LEU 11 -4.816 7.099 -10.639 54 HD21 LEU 11 1HD2 LEU 11 -3.775 6.963 -7.830 55 HD22 LEU 11 2HD2 LEU 11 -2.074 6.496 -7.804 56 HD23 LEU 11 3HD2 LEU 11 -3.319 5.282 -8.105 57 H SER 12 H SER 12 -2.567 7.854 -12.480 58 HA SER 12 HA SER 12 0.224 7.770 -13.254 59 HB2 SER 12 1HB SER 12 -1.854 9.953 -13.176 60 HB3 SER 12 2HB SER 12 -0.158 10.297 -13.512 61 HG SER 12 HG SER 12 -1.356 8.246 -14.965 62 H GLY 13 H GLY 13 1.912 8.844 -12.204 63 HA2 GLY 13 1HA GLY 13 3.012 9.909 -10.459 64 HA3 GLY 13 2HA GLY 13 1.456 10.193 -9.692 65 H LEU 14 H LEU 14 0.571 7.492 -9.632 66 HA LEU 14 HA LEU 14 2.573 6.153 -7.962 67 HB2 LEU 14 1HB LEU 14 -0.201 6.954 -7.168 68 HB3 LEU 14 2HB LEU 14 0.582 5.559 -6.428 69 HG LEU 14 HG LEU 14 1.637 8.386 -6.355 70 HD11 LEU 14 1HD1 LEU 14 1.053 7.617 -3.786 71 HD12 LEU 14 2HD1 LEU 14 -0.303 6.968 -4.709 72 HD13 LEU 14 3HD1 LEU 14 0.076 8.688 -4.791 73 HD21 LEU 14 1HD2 LEU 14 2.559 5.839 -5.030 74 HD22 LEU 14 2HD2 LEU 14 3.150 7.450 -4.623 75 HD23 LEU 14 3HD2 LEU 14 3.430 6.789 -6.235 76 H SER 15 H SER 15 2.825 4.132 -8.621 77 HA SER 15 HA SER 15 0.510 2.565 -9.445 78 HB2 SER 15 1HB SER 15 2.836 3.235 -11.231 79 HB3 SER 15 2HB SER 15 1.933 1.736 -11.450 80 HG SER 15 HG SER 15 0.771 4.326 -11.406 81 H LEU 16 H LEU 16 0.600 0.721 -8.364 82 HA LEU 16 HA LEU 16 3.007 -0.156 -7.078 83 HB2 LEU 16 1HB LEU 16 0.339 -1.536 -7.335 84 HB3 LEU 16 2HB LEU 16 1.640 -1.995 -6.237 85 HG LEU 16 HG LEU 16 0.458 0.741 -6.040 86 HD11 LEU 16 1HD1 LEU 16 -0.890 -1.817 -5.393 87 HD12 LEU 16 2HD1 LEU 16 -1.572 -0.260 -5.865 88 HD13 LEU 16 3HD1 LEU 16 -1.009 -0.512 -4.212 89 HD21 LEU 16 1HD2 LEU 16 1.853 -1.197 -4.227 90 HD22 LEU 16 2HD2 LEU 16 0.917 0.151 -3.580 91 HD23 LEU 16 3HD2 LEU 16 2.296 0.461 -4.636 92 H LYS 17 H LYS 17 4.399 -1.715 -7.673 93 HA LYS 17 HA LYS 17 3.727 -3.360 -10.019 94 HB2 LYS 17 1HB LYS 17 5.651 -2.837 -11.136 95 HB3 LYS 17 2HB LYS 17 5.407 -1.318 -10.284 96 HG2 LYS 17 1HG LYS 17 7.012 -1.930 -8.612 97 HG3 LYS 17 2HG LYS 17 7.167 -3.551 -9.295 98 HD2 LYS 17 1HD LYS 17 7.834 -2.266 -11.465 99 HD3 LYS 17 2HD LYS 17 8.172 -0.939 -10.350 100 HE2 LYS 17 1HE LYS 17 10.196 -2.180 -10.710 101 HE3 LYS 17 2HE LYS 17 9.642 -2.468 -9.062 102 HZ1 LYS 17 1HZ LYS 17 10.352 -4.518 -10.089 103 HZ2 LYS 17 2HZ LYS 17 9.271 -4.298 -11.371 104 HZ3 LYS 17 3HZ LYS 17 8.685 -4.572 -9.808 105 H LEU 18 H LEU 18 4.605 -5.436 -10.064 106 HA LEU 18 HA LEU 18 5.177 -6.554 -7.477 107 HB2 LEU 18 1HB LEU 18 3.767 -7.721 -9.106 108 HB3 LEU 18 2HB LEU 18 5.142 -7.843 -10.203 109 HG LEU 18 HG LEU 18 6.267 -9.355 -8.701 110 HD11 LEU 18 1HD1 LEU 18 4.457 -10.077 -6.761 111 HD12 LEU 18 2HD1 LEU 18 4.329 -8.318 -6.796 112 HD13 LEU 18 3HD1 LEU 18 5.894 -9.083 -6.521 113 HD21 LEU 18 1HD2 LEU 18 4.970 -11.230 -9.083 114 HD22 LEU 18 2HD2 LEU 18 4.335 -10.090 -10.269 115 HD23 LEU 18 3HD2 LEU 18 3.459 -10.379 -8.765 116 H VAL 19 H VAL 19 7.154 -6.091 -6.693 117 HA VAL 19 HA VAL 19 9.493 -6.041 -8.377 118 HB VAL 19 HB VAL 19 8.915 -5.453 -5.528 119 HG11 VAL 19 1HG1 VAL 19 11.334 -5.430 -4.983 120 HG12 VAL 19 2HG1 VAL 19 10.693 -7.053 -5.248 121 HG13 VAL 19 3HG1 VAL 19 11.650 -6.265 -6.503 122 HG21 VAL 19 1HG2 VAL 19 9.788 -4.087 -7.900 123 HG22 VAL 19 2HG2 VAL 19 9.214 -3.418 -6.373 124 HG23 VAL 19 3HG2 VAL 19 10.922 -3.805 -6.579 125 H LYS 20 H LYS 20 8.524 -7.990 -5.549 126 HA LYS 20 HA LYS 20 10.091 -10.218 -6.667 127 HB2 LYS 20 1HB LYS 20 11.154 -9.029 -4.666 128 HB3 LYS 20 2HB LYS 20 9.837 -9.694 -3.710 129 HG2 LYS 20 1HG LYS 20 11.464 -11.267 -3.376 130 HG3 LYS 20 2HG LYS 20 10.609 -11.959 -4.757 131 HD2 LYS 20 1HD LYS 20 12.271 -11.144 -6.277 132 HD3 LYS 20 2HD LYS 20 13.058 -10.216 -4.998 133 HE2 LYS 20 1HE LYS 20 13.777 -12.203 -3.895 134 HE3 LYS 20 2HE LYS 20 12.783 -13.215 -4.943 135 HZ1 LYS 20 1HZ LYS 20 14.337 -11.905 -6.709 136 HZ2 LYS 20 2HZ LYS 20 14.659 -13.452 -6.106 137 HZ3 LYS 20 3HZ LYS 20 15.401 -12.102 -5.408 138 H LYS 21 H LYS 21 8.828 -11.887 -7.110 139 HA LYS 21 HA LYS 21 6.253 -12.144 -5.742 140 HB2 LYS 21 1HB LYS 21 6.546 -12.188 -8.304 141 HB3 LYS 21 2HB LYS 21 7.177 -13.813 -8.069 142 HG2 LYS 21 1HG LYS 21 4.562 -13.146 -6.835 143 HG3 LYS 21 2HG LYS 21 4.629 -13.363 -8.585 144 HD2 LYS 21 1HD LYS 21 5.902 -15.390 -6.798 145 HD3 LYS 21 2HD LYS 21 4.151 -15.402 -7.019 146 HE2 LYS 21 1HE LYS 21 4.298 -15.989 -9.227 147 HE3 LYS 21 2HE LYS 21 5.875 -15.229 -9.436 148 HZ1 LYS 21 1HZ LYS 21 6.911 -17.031 -8.281 149 HZ2 LYS 21 2HZ LYS 21 5.941 -17.680 -9.506 150 HZ3 LYS 21 3HZ LYS 21 5.416 -17.727 -7.898 151 H GLU 22 H GLU 22 6.487 -13.221 -3.868 152 HA GLU 22 HA GLU 22 7.841 -15.835 -3.976 153 HB2 GLU 22 1HB GLU 22 7.973 -13.674 -1.912 154 HB3 GLU 22 2HB GLU 22 8.132 -15.351 -1.408 155 HG2 GLU 22 1HG GLU 22 10.114 -15.648 -2.568 156 HG3 GLU 22 2HG GLU 22 9.817 -14.270 -3.626 157 HA PRO 23 HA PRO 23 4.171 -17.704 -2.467 158 HB2 PRO 23 1HB PRO 23 5.144 -19.618 -0.805 159 HB3 PRO 23 2HB PRO 23 5.276 -19.717 -2.565 160 HG2 PRO 23 1HG PRO 23 7.319 -18.842 -0.559 161 HG3 PRO 23 2HG PRO 23 7.521 -19.883 -1.981 162 HD2 PRO 23 1HD PRO 23 8.217 -17.266 -1.980 163 HD3 PRO 23 2HD PRO 23 7.619 -18.094 -3.432 164 H ARG 24 H ARG 24 6.500 -16.607 -0.073 165 HA ARG 24 HA ARG 24 4.264 -16.063 1.762 166 HB2 ARG 24 1HB ARG 24 7.023 -17.018 2.551 167 HB3 ARG 24 2HB ARG 24 5.733 -16.577 3.662 168 HG2 ARG 24 1HG ARG 24 4.438 -18.447 3.069 169 HG3 ARG 24 2HG ARG 24 5.416 -18.766 1.635 170 HD2 ARG 24 1HD ARG 24 6.150 -20.369 3.151 171 HD3 ARG 24 2HD ARG 24 7.356 -19.092 3.295 172 HE ARG 24 HE ARG 24 6.650 -18.704 5.445 173 HH11 ARG 24 2HH1 ARG 24 4.343 -20.735 3.810 174 HH12 ARG 24 1HH1 ARG 24 3.444 -21.094 5.247 175 HH21 ARG 24 2HH2 ARG 24 5.475 -19.170 7.344 176 HH22 ARG 24 1HH2 ARG 24 4.089 -20.203 7.257 177 H GLN 25 H GLN 25 5.578 -14.356 -0.207 178 HA GLN 25 HA GLN 25 5.960 -12.058 1.424 179 HB2 GLN 25 1HB GLN 25 8.187 -13.268 1.606 180 HB3 GLN 25 2HB GLN 25 8.407 -12.933 -0.106 181 HG2 GLN 25 1HG GLN 25 8.249 -10.532 0.352 182 HG3 GLN 25 2HG GLN 25 8.061 -10.882 2.070 183 HE21 GLN 25 1HE2 GLN 25 10.222 -10.132 -0.334 184 HE22 GLN 25 2HE2 GLN 25 11.687 -10.575 0.467 185 H LEU 26 H LEU 26 5.944 -10.134 0.237 186 HA LEU 26 HA LEU 26 5.945 -10.285 -2.669 187 HB2 LEU 26 1HB LEU 26 3.550 -9.715 -0.994 188 HB3 LEU 26 2HB LEU 26 3.752 -8.832 -2.506 189 HG LEU 26 HG LEU 26 3.685 -11.840 -2.297 190 HD11 LEU 26 1HD1 LEU 26 1.410 -11.494 -3.394 191 HD12 LEU 26 2HD1 LEU 26 1.512 -9.834 -2.810 192 HD13 LEU 26 3HD1 LEU 26 1.531 -11.174 -1.664 193 HD21 LEU 26 1HD2 LEU 26 4.641 -11.571 -4.320 194 HD22 LEU 26 2HD2 LEU 26 4.104 -9.898 -4.473 195 HD23 LEU 26 3HD2 LEU 26 2.988 -11.219 -4.825 196 H GLU 27 H GLU 27 7.272 -8.716 -3.273 197 HA GLU 27 HA GLU 27 7.359 -6.242 -1.688 198 HB2 GLU 27 1HB GLU 27 9.464 -7.639 -2.043 199 HB3 GLU 27 2HB GLU 27 9.400 -7.125 -3.722 200 HG2 GLU 27 1HG GLU 27 9.771 -4.876 -3.161 201 HG3 GLU 27 2HG GLU 27 9.430 -5.162 -1.455 202 H LEU 28 H LEU 28 6.932 -4.294 -2.591 203 HA LEU 28 HA LEU 28 6.533 -4.138 -5.489 204 HB2 LEU 28 1HB LEU 28 4.547 -2.820 -3.699 205 HB3 LEU 28 2HB LEU 28 4.382 -3.321 -5.380 206 HG LEU 28 HG LEU 28 4.512 -5.267 -3.085 207 HD11 LEU 28 1HD1 LEU 28 2.486 -3.463 -3.453 208 HD12 LEU 28 2HD1 LEU 28 2.332 -5.031 -2.661 209 HD13 LEU 28 3HD1 LEU 28 1.923 -4.863 -4.368 210 HD21 LEU 28 1HD2 LEU 28 3.194 -5.807 -5.691 211 HD22 LEU 28 2HD2 LEU 28 4.047 -6.903 -4.603 212 HD23 LEU 28 3HD2 LEU 28 4.957 -5.802 -5.639 213 H THR 29 H THR 29 6.669 -2.018 -6.356 214 HA THR 29 HA THR 29 7.459 0.138 -4.563 215 HB THR 29 HB THR 29 9.590 -0.949 -5.053 216 HG1 THR 29 1HG THR 29 9.005 1.585 -6.118 217 HG21 THR 29 1HG2 THR 29 10.311 -1.573 -7.121 218 HG22 THR 29 2HG2 THR 29 9.457 -0.263 -7.935 219 HG23 THR 29 3HG2 THR 29 8.576 -1.697 -7.409 220 H TRP 30 H TRP 30 6.938 2.131 -5.322 221 HA TRP 30 HA TRP 30 5.959 2.305 -8.095 222 HB2 TRP 30 1HB TRP 30 4.275 3.979 -7.201 223 HB3 TRP 30 2HB TRP 30 4.000 2.299 -6.746 224 HD1 TRP 30 HD TRP 30 4.844 5.699 -5.275 225 HE1 TRP 30 1HE TRP 30 4.727 5.555 -2.708 226 HE3 TRP 30 3HE TRP 30 4.342 0.636 -4.768 227 HZ2 TRP 30 2HZ TRP 30 4.458 3.559 -0.730 228 HZ3 TRP 30 3HZ TRP 30 4.162 -0.310 -2.504 229 HH2 TRP 30 HH TRP 30 4.219 1.123 -0.528 230 H ALA 31 H ALA 31 7.253 3.606 -9.202 231 HA ALA 31 HA ALA 31 8.105 6.130 -7.962 232 HB1 ALA 31 1HB ALA 31 10.326 5.898 -8.558 233 HB2 ALA 31 2HB ALA 31 9.904 4.263 -8.050 234 HB3 ALA 31 3HB ALA 31 9.981 4.660 -9.766 235 H GLY 32 H GLY 32 8.932 7.701 -9.640 236 HA2 GLY 32 1HA GLY 32 8.940 8.138 -12.101 237 HA3 GLY 32 2HA GLY 32 7.343 7.404 -12.115 238 H SER 33 H SER 33 9.189 10.247 -11.422 239 HA SER 33 HA SER 33 6.677 11.739 -11.088 240 HB2 SER 33 1HB SER 33 7.756 13.194 -9.428 241 HB3 SER 33 2HB SER 33 7.746 11.517 -8.882 242 HG SER 33 HG SER 33 9.968 12.357 -10.327 243 H ARG 34 H ARG 34 6.487 12.967 -12.837 244 HA ARG 34 HA ARG 34 8.464 13.639 -14.645 245 HB2 ARG 34 1HB ARG 34 5.751 14.659 -14.030 246 HB3 ARG 34 2HB ARG 34 6.782 15.715 -14.986 247 HG2 ARG 34 1HG ARG 34 6.841 14.272 -16.770 248 HG3 ARG 34 2HG ARG 34 6.505 12.856 -15.773 249 HD2 ARG 34 1HD ARG 34 4.583 15.004 -16.639 250 HD3 ARG 34 2HD ARG 34 4.557 13.295 -17.070 251 HE ARG 34 HE ARG 34 4.301 13.172 -14.418 252 HH11 ARG 34 2HH1 ARG 34 2.695 15.161 -16.781 253 HH12 ARG 34 1HH1 ARG 34 1.225 15.281 -15.872 254 HH21 ARG 34 2HH2 ARG 34 2.371 13.323 -13.212 255 HH22 ARG 34 1HH2 ARG 34 1.042 14.236 -13.842 256 HA PRO 35 HA PRO 35 8.981 17.931 -12.490 257 HB2 PRO 35 1HB PRO 35 7.801 18.262 -10.067 258 HB3 PRO 35 2HB PRO 35 6.987 18.635 -11.591 259 HG2 PRO 35 1HG PRO 35 6.754 16.200 -9.866 260 HG3 PRO 35 2HG PRO 35 5.476 17.116 -10.686 261 HD2 PRO 35 1HD PRO 35 6.468 14.798 -11.673 262 HD3 PRO 35 2HD PRO 35 5.883 16.108 -12.718 263 H ARG 36 H ARG 36 10.310 18.712 -10.650 264 HA ARG 36 HA ARG 36 11.267 16.771 -8.748 265 HB2 ARG 36 1HB ARG 36 12.831 17.496 -11.182 266 HB3 ARG 36 2HB ARG 36 13.700 17.300 -9.665 267 HG2 ARG 36 1HG ARG 36 12.504 15.040 -9.496 268 HG3 ARG 36 2HG ARG 36 12.134 15.267 -11.207 269 HD2 ARG 36 1HD ARG 36 14.886 15.255 -9.970 270 HD3 ARG 36 2HD ARG 36 14.165 13.944 -10.902 271 HE ARG 36 HE ARG 36 14.046 16.024 -12.612 272 HH11 ARG 36 2HH1 ARG 36 16.621 14.680 -10.693 273 HH12 ARG 36 1HH1 ARG 36 17.866 15.132 -11.811 274 HH21 ARG 36 2HH2 ARG 36 15.675 16.625 -14.091 275 HH22 ARG 36 1HH2 ARG 36 17.327 16.239 -13.743 276 H ASN 37 H ASN 37 11.387 17.926 -6.948 277 HA ASN 37 HA ASN 37 12.527 20.638 -7.093 278 HB2 ASN 37 1HB ASN 37 10.221 20.975 -6.658 279 HB3 ASN 37 2HB ASN 37 10.164 19.644 -5.506 280 HD21 ASN 37 1HD2 ASN 37 9.809 22.757 -5.567 281 HD22 ASN 37 2HD2 ASN 37 10.566 23.236 -4.090 282 HA PRO 38 HA PRO 38 15.484 19.068 -4.206 283 HB2 PRO 38 1HB PRO 38 16.544 21.451 -3.451 284 HB3 PRO 38 2HB PRO 38 16.891 20.696 -5.012 285 HG2 PRO 38 1HG PRO 38 14.953 22.881 -4.354 286 HG3 PRO 38 2HG PRO 38 16.065 22.748 -5.728 287 HD2 PRO 38 1HD PRO 38 13.428 22.168 -5.927 288 HD3 PRO 38 2HD PRO 38 14.664 21.330 -6.886 289 H GLY 39 H GLY 39 14.190 18.245 -2.550 290 HA2 GLY 39 1HA GLY 39 13.955 18.330 -0.174 291 HA3 GLY 39 2HA GLY 39 13.837 20.081 -0.282 292 H GLY 40 H GLY 40 12.110 17.401 0.395 293 HA2 GLY 40 1HA GLY 40 9.601 18.811 0.079 294 HA3 GLY 40 2HA GLY 40 9.744 17.356 -0.897 295 H ASN 41 H ASN 41 7.860 17.877 1.230 296 HA ASN 41 HA ASN 41 8.601 15.662 3.019 297 HB2 ASN 41 1HB ASN 41 7.247 18.259 3.769 298 HB3 ASN 41 2HB ASN 41 7.296 16.848 4.821 299 HD21 ASN 41 1HD2 ASN 41 8.417 19.549 5.138 300 HD22 ASN 41 2HD2 ASN 41 10.104 19.318 5.434 301 H LEU 42 H LEU 42 7.386 14.113 2.021 302 HA LEU 42 HA LEU 42 4.488 14.415 2.262 303 HB2 LEU 42 1HB LEU 42 5.981 13.715 -0.245 304 HB3 LEU 42 2HB LEU 42 4.314 13.203 0.009 305 HG LEU 42 HG LEU 42 5.098 16.096 0.171 306 HD11 LEU 42 1HD1 LEU 42 3.886 15.525 -2.325 307 HD12 LEU 42 2HD1 LEU 42 5.279 14.459 -2.141 308 HD13 LEU 42 3HD1 LEU 42 5.482 16.205 -2.006 309 HD21 LEU 42 1HD2 LEU 42 2.652 16.170 -0.725 310 HD22 LEU 42 2HD2 LEU 42 2.955 15.869 0.986 311 HD23 LEU 42 3HD2 LEU 42 2.572 14.526 -0.091 312 H SER 43 H SER 43 3.340 12.404 2.330 313 HA SER 43 HA SER 43 5.053 10.078 2.913 314 HB2 SER 43 1HB SER 43 3.163 9.457 4.567 315 HB3 SER 43 2HB SER 43 4.299 10.719 5.045 316 HG SER 43 HG SER 43 1.678 10.897 4.875 317 H TYR 44 H TYR 44 3.571 8.021 3.025 318 HA TYR 44 HA TYR 44 1.510 8.096 0.950 319 HB2 TYR 44 1HB TYR 44 3.717 6.038 0.892 320 HB3 TYR 44 2HB TYR 44 2.470 6.315 -0.319 321 HD1 TYR 44 2HD TYR 44 2.483 8.736 -1.378 322 HD2 TYR 44 1HD TYR 44 5.823 6.919 0.530 323 HE1 TYR 44 2HE TYR 44 3.993 10.249 -2.594 324 HE2 TYR 44 1HE TYR 44 7.343 8.428 -0.679 325 HH TYR 44 HH TYR 44 6.902 9.853 -3.197 326 H GLU 45 H GLU 45 -0.183 6.812 1.383 327 HA GLU 45 HA GLU 45 -0.013 5.119 3.769 328 HB2 GLU 45 1HB GLU 45 -1.764 6.840 3.747 329 HB3 GLU 45 2HB GLU 45 -2.430 6.150 2.274 330 HG2 GLU 45 1HG GLU 45 -3.326 4.343 3.355 331 HG3 GLU 45 2HG GLU 45 -2.154 4.412 4.671 332 H LEU 46 H LEU 46 0.153 2.997 3.548 333 HA LEU 46 HA LEU 46 -0.628 1.775 0.992 334 HB2 LEU 46 1HB LEU 46 1.749 1.620 2.131 335 HB3 LEU 46 2HB LEU 46 0.975 0.318 3.031 336 HG LEU 46 HG LEU 46 2.253 -0.504 1.104 337 HD11 LEU 46 1HD1 LEU 46 0.783 -2.159 0.745 338 HD12 LEU 46 2HD1 LEU 46 -0.483 -1.058 0.203 339 HD13 LEU 46 3HD1 LEU 46 -0.207 -1.303 1.928 340 HD21 LEU 46 1HD2 LEU 46 0.502 0.197 -1.015 341 HD22 LEU 46 2HD2 LEU 46 2.217 0.568 -0.837 342 HD23 LEU 46 3HD2 LEU 46 1.003 1.683 -0.209 343 H HIS 47 H HIS 47 -2.274 0.384 0.900 344 HA HIS 47 HA HIS 47 -3.269 -0.786 3.410 345 HB2 HIS 47 1HB HIS 47 -4.711 1.103 2.726 346 HB3 HIS 47 2HB HIS 47 -4.983 0.317 1.174 347 HD1 HIS 47 1HD HIS 47 -7.530 0.191 1.657 348 HD2 HIS 47 2HD HIS 47 -5.167 -1.897 4.362 349 HE1 HIS 47 1HE HIS 47 -9.117 -1.277 2.942 350 HE2 HIS 47 2HE HIS 47 -7.676 -2.467 4.631 351 H VAL 48 H VAL 48 -2.914 -2.900 3.257 352 HA VAL 48 HA VAL 48 -3.232 -4.218 0.650 353 HB VAL 48 HB VAL 48 -1.864 -5.192 3.162 354 HG11 VAL 48 1HG1 VAL 48 -1.293 -7.167 2.040 355 HG12 VAL 48 2HG1 VAL 48 -3.001 -6.928 1.665 356 HG13 VAL 48 3HG1 VAL 48 -1.769 -6.519 0.471 357 HG21 VAL 48 1HG2 VAL 48 -0.253 -4.972 0.766 358 HG22 VAL 48 2HG2 VAL 48 -0.961 -3.423 1.224 359 HG23 VAL 48 3HG2 VAL 48 0.030 -4.315 2.378 360 H LEU 49 H LEU 49 -4.954 -5.442 0.278 361 HA LEU 49 HA LEU 49 -6.550 -6.351 2.580 362 HB2 LEU 49 1HB LEU 49 -7.457 -5.831 -0.247 363 HB3 LEU 49 2HB LEU 49 -8.481 -6.335 1.096 364 HG LEU 49 HG LEU 49 -8.171 -4.211 2.192 365 HD11 LEU 49 1HD1 LEU 49 -6.094 -3.839 0.092 366 HD12 LEU 49 2HD1 LEU 49 -6.043 -3.457 1.813 367 HD13 LEU 49 3HD1 LEU 49 -6.950 -2.425 0.708 368 HD21 LEU 49 1HD2 LEU 49 -9.065 -2.693 0.339 369 HD22 LEU 49 2HD2 LEU 49 -9.988 -4.148 0.720 370 HD23 LEU 49 3HD2 LEU 49 -8.948 -4.110 -0.705 371 H ASN 50 H ASN 50 -7.695 -8.399 2.315 372 HA ASN 50 HA ASN 50 -6.708 -10.217 0.282 373 HB2 ASN 50 1HB ASN 50 -5.143 -10.151 2.400 374 HB3 ASN 50 2HB ASN 50 -6.407 -11.150 3.109 375 HD21 ASN 50 1HD2 ASN 50 -5.412 -13.070 3.212 376 HD22 ASN 50 2HD2 ASN 50 -4.794 -13.931 1.848 377 H GLN 51 H GLN 51 -7.691 -12.482 0.694 378 HA GLN 51 HA GLN 51 -10.361 -12.486 0.406 379 HB2 GLN 51 1HB GLN 51 -8.475 -14.492 1.529 380 HB3 GLN 51 2HB GLN 51 -10.195 -14.802 1.730 381 HG2 GLN 51 1HG GLN 51 -9.344 -15.895 -0.255 382 HG3 GLN 51 2HG GLN 51 -10.514 -14.646 -0.680 383 HE21 GLN 51 1HE2 GLN 51 -9.575 -14.720 -2.796 384 HE22 GLN 51 2HE2 GLN 51 -8.114 -13.859 -3.126 385 H ASP 52 H ASP 52 -8.952 -13.341 3.570 386 HA ASP 52 HA ASP 52 -11.234 -11.980 4.844 387 HB2 ASP 52 1HB ASP 52 -10.069 -14.688 5.371 388 HB3 ASP 52 2HB ASP 52 -10.801 -13.789 6.698 389 H GLU 53 H GLU 53 -8.477 -11.074 4.247 390 HA GLU 53 HA GLU 53 -7.785 -10.262 6.974 391 HB2 GLU 53 1HB GLU 53 -5.976 -11.613 5.003 392 HB3 GLU 53 2HB GLU 53 -5.312 -10.461 6.153 393 HG2 GLU 53 1HG GLU 53 -5.929 -11.782 7.995 394 HG3 GLU 53 2HG GLU 53 -6.992 -12.791 7.016 395 H GLU 54 H GLU 54 -7.918 -8.125 7.004 396 HA GLU 54 HA GLU 54 -6.883 -6.621 4.694 397 HB2 GLU 54 1HB GLU 54 -9.253 -6.414 4.566 398 HB3 GLU 54 2HB GLU 54 -9.388 -6.124 6.295 399 HG2 GLU 54 1HG GLU 54 -7.841 -4.055 5.663 400 HG3 GLU 54 2HG GLU 54 -8.645 -4.276 4.110 401 H TRP 55 H TRP 55 -5.185 -5.447 5.249 402 HA TRP 55 HA TRP 55 -5.187 -4.043 7.815 403 HB2 TRP 55 1HB TRP 55 -3.017 -4.786 8.446 404 HB3 TRP 55 2HB TRP 55 -3.928 -6.233 8.024 405 HD1 TRP 55 HD TRP 55 -1.073 -4.017 6.735 406 HE1 TRP 55 1HE TRP 55 0.275 -5.353 4.996 407 HE3 TRP 55 3HE TRP 55 -4.077 -8.138 6.372 408 HZ2 TRP 55 2HZ TRP 55 0.089 -7.826 3.648 409 HZ3 TRP 55 3HZ TRP 55 -3.421 -9.944 4.834 410 HH2 TRP 55 HH TRP 55 -1.381 -9.789 3.501 411 H HIS 56 H HIS 56 -3.881 -2.176 7.870 412 HA HIS 56 HA HIS 56 -2.724 -1.350 5.297 413 HB2 HIS 56 1HB HIS 56 -3.618 1.010 6.001 414 HB3 HIS 56 2HB HIS 56 -4.691 -0.130 5.195 415 HD1 HIS 56 1HD HIS 56 -6.770 0.976 6.266 416 HD2 HIS 56 2HD HIS 56 -4.069 -0.587 9.009 417 HE1 HIS 56 1HE HIS 56 -7.989 0.941 8.465 418 HE2 HIS 56 2HE HIS 56 -6.307 0.072 10.126 419 H GLN 57 H GLN 57 -0.867 -0.160 5.411 420 HA GLN 57 HA GLN 57 0.064 0.735 8.037 421 HB2 GLN 57 1HB GLN 57 2.269 -0.285 7.681 422 HB3 GLN 57 2HB GLN 57 1.000 -1.500 7.762 423 HG2 GLN 57 1HG GLN 57 0.991 -1.593 5.291 424 HG3 GLN 57 2HG GLN 57 2.351 -0.472 5.279 425 HE21 GLN 57 1HE2 GLN 57 3.974 -1.687 4.547 426 HE22 GLN 57 2HE2 GLN 57 4.511 -3.165 5.263 427 H MET 58 H MET 58 0.793 2.747 7.913 428 HA MET 58 HA MET 58 1.118 4.053 5.391 429 HB2 MET 58 1HB MET 58 0.353 4.978 7.747 430 HB3 MET 58 2HB MET 58 2.073 5.291 7.934 431 HG2 MET 58 1HG MET 58 2.033 6.602 5.850 432 HG3 MET 58 2HG MET 58 0.294 6.337 5.746 433 HE1 MET 58 1HE MET 58 2.568 9.288 6.616 434 HE2 MET 58 2HE MET 58 2.619 9.189 8.376 435 HE3 MET 58 3HE MET 58 3.228 7.852 7.399 436 H VAL 59 H VAL 59 2.898 4.235 4.203 437 HA VAL 59 HA VAL 59 5.489 3.619 5.467 438 HB VAL 59 HB VAL 59 6.263 2.966 3.190 439 HG11 VAL 59 1HG1 VAL 59 5.801 0.891 3.830 440 HG12 VAL 59 2HG1 VAL 59 4.642 1.537 4.993 441 HG13 VAL 59 3HG1 VAL 59 4.110 1.089 3.372 442 HG21 VAL 59 1HG2 VAL 59 3.533 2.591 2.187 443 HG22 VAL 59 2HG2 VAL 59 4.050 4.274 2.293 444 HG23 VAL 59 3HG2 VAL 59 4.990 3.121 1.346 445 H LEU 60 H LEU 60 7.162 5.013 5.225 446 HA LEU 60 HA LEU 60 6.544 7.608 4.045 447 HB2 LEU 60 1HB LEU 60 8.983 6.804 5.617 448 HB3 LEU 60 2HB LEU 60 8.441 8.440 5.247 449 HG LEU 60 HG LEU 60 6.680 6.658 6.869 450 HD11 LEU 60 1HD1 LEU 60 7.799 7.099 8.876 451 HD12 LEU 60 2HD1 LEU 60 8.844 8.309 8.133 452 HD13 LEU 60 3HD1 LEU 60 9.071 6.600 7.761 453 HD21 LEU 60 1HD2 LEU 60 6.313 8.956 7.962 454 HD22 LEU 60 2HD2 LEU 60 5.659 8.685 6.346 455 HD23 LEU 60 3HD2 LEU 60 7.153 9.601 6.551 456 H GLU 61 H GLU 61 7.357 5.030 2.586 457 HA GLU 61 HA GLU 61 9.237 6.352 0.787 458 HB2 GLU 61 1HB GLU 61 10.571 4.230 0.606 459 HB3 GLU 61 2HB GLU 61 10.744 5.084 2.133 460 HG2 GLU 61 1HG GLU 61 8.707 2.928 1.921 461 HG3 GLU 61 2HG GLU 61 10.408 2.488 2.057 462 HA PRO 62 HA PRO 62 6.716 4.620 -2.360 463 HB2 PRO 62 1HB PRO 62 8.515 4.347 -4.376 464 HB3 PRO 62 2HB PRO 62 7.895 5.916 -3.847 465 HG2 PRO 62 1HG PRO 62 10.483 4.575 -3.166 466 HG3 PRO 62 2HG PRO 62 10.177 6.271 -3.581 467 HD2 PRO 62 1HD PRO 62 10.505 5.432 -1.027 468 HD3 PRO 62 2HD PRO 62 9.445 6.790 -1.458 469 H ARG 63 H ARG 63 8.994 2.843 -0.752 470 HA ARG 63 HA ARG 63 8.356 0.408 -2.285 471 HB2 ARG 63 1HB ARG 63 10.474 -0.529 -1.628 472 HB3 ARG 63 2HB ARG 63 10.762 1.048 -2.351 473 HG2 ARG 63 1HG ARG 63 10.869 1.991 -0.033 474 HG3 ARG 63 2HG ARG 63 10.823 0.333 0.568 475 HD2 ARG 63 1HD ARG 63 12.923 1.599 -1.180 476 HD3 ARG 63 2HD ARG 63 13.109 1.020 0.475 477 HE ARG 63 HE ARG 63 12.289 -1.035 -1.345 478 HH11 ARG 63 2HH1 ARG 63 15.020 0.727 -0.097 479 HH12 ARG 63 1HH1 ARG 63 16.157 -0.533 -0.445 480 HH21 ARG 63 2HH2 ARG 63 13.776 -2.701 -1.807 481 HH22 ARG 63 1HH2 ARG 63 15.449 -2.483 -1.418 482 H VAL 64 H VAL 64 7.554 -1.325 -1.202 483 HA VAL 64 HA VAL 64 7.417 -1.198 1.728 484 HB VAL 64 HB VAL 64 5.281 -0.334 0.847 485 HG11 VAL 64 1HG1 VAL 64 5.076 -3.050 -0.448 486 HG12 VAL 64 2HG1 VAL 64 3.756 -1.884 -0.328 487 HG13 VAL 64 3HG1 VAL 64 5.197 -1.495 -1.270 488 HG21 VAL 64 1HG2 VAL 64 5.611 -1.958 2.907 489 HG22 VAL 64 2HG2 VAL 64 4.009 -1.416 2.407 490 HG23 VAL 64 3HG2 VAL 64 4.588 -3.013 1.933 491 H LEU 65 H LEU 65 7.692 -3.114 2.737 492 HA LEU 65 HA LEU 65 7.911 -5.506 1.030 493 HB2 LEU 65 1HB LEU 65 10.005 -4.586 2.132 494 HB3 LEU 65 2HB LEU 65 9.298 -5.090 3.666 495 HG LEU 65 HG LEU 65 10.910 -6.725 2.921 496 HD11 LEU 65 1HD1 LEU 65 8.257 -7.996 2.377 497 HD12 LEU 65 2HD1 LEU 65 8.638 -7.359 3.976 498 HD13 LEU 65 3HD1 LEU 65 9.639 -8.629 3.272 499 HD21 LEU 65 1HD2 LEU 65 11.228 -7.037 0.746 500 HD22 LEU 65 2HD2 LEU 65 9.724 -6.204 0.353 501 HD23 LEU 65 3HD2 LEU 65 9.710 -7.934 0.702 502 H LEU 66 H LEU 66 6.258 -6.841 1.309 503 HA LEU 66 HA LEU 66 4.946 -6.965 3.933 504 HB2 LEU 66 1HB LEU 66 3.981 -8.030 1.284 505 HB3 LEU 66 2HB LEU 66 3.062 -7.956 2.787 506 HG LEU 66 HG LEU 66 4.038 -5.537 1.272 507 HD11 LEU 66 1HD1 LEU 66 2.307 -7.041 0.120 508 HD12 LEU 66 2HD1 LEU 66 1.938 -5.325 0.288 509 HD13 LEU 66 3HD1 LEU 66 1.200 -6.496 1.381 510 HD21 LEU 66 1HD2 LEU 66 1.789 -5.079 2.954 511 HD22 LEU 66 2HD2 LEU 66 3.404 -4.379 3.053 512 HD23 LEU 66 3HD2 LEU 66 3.042 -5.884 3.899 513 H THR 67 H THR 67 4.994 -8.758 5.149 514 HA THR 67 HA THR 67 6.095 -11.216 3.955 515 HB THR 67 HB THR 67 7.267 -11.697 6.055 516 HG1 THR 67 1HG THR 67 6.589 -9.053 6.862 517 HG21 THR 67 1HG2 THR 67 8.233 -10.234 4.130 518 HG22 THR 67 2HG2 THR 67 9.104 -10.336 5.660 519 HG23 THR 67 3HG2 THR 67 8.110 -8.924 5.303 520 H LYS 68 H LYS 68 5.771 -13.088 5.675 521 HA LYS 68 HA LYS 68 4.294 -14.508 6.662 522 HB2 LYS 68 1HB LYS 68 3.143 -11.899 7.662 523 HB3 LYS 68 2HB LYS 68 2.607 -13.481 8.213 524 HG2 LYS 68 1HG LYS 68 5.035 -13.896 8.859 525 HG3 LYS 68 2HG LYS 68 5.268 -12.162 8.629 526 HD2 LYS 68 1HD LYS 68 3.631 -11.661 10.314 527 HD3 LYS 68 2HD LYS 68 3.188 -13.364 10.453 528 HE2 LYS 68 1HE LYS 68 5.720 -13.669 11.027 529 HE3 LYS 68 2HE LYS 68 5.639 -11.951 11.412 530 HZ1 LYS 68 1HZ LYS 68 3.465 -13.406 12.553 531 HZ2 LYS 68 2HZ LYS 68 4.582 -12.381 13.302 532 HZ3 LYS 68 3HZ LYS 68 4.957 -14.014 13.068 533 H LEU 69 H LEU 69 3.824 -14.089 4.015 534 HA LEU 69 HA LEU 69 0.919 -13.742 3.769 535 HB2 LEU 69 1HB LEU 69 2.998 -13.900 1.593 536 HB3 LEU 69 2HB LEU 69 1.292 -13.507 1.389 537 HG LEU 69 HG LEU 69 3.293 -11.813 2.883 538 HD11 LEU 69 1HD1 LEU 69 3.973 -11.187 0.857 539 HD12 LEU 69 2HD1 LEU 69 2.401 -10.407 0.688 540 HD13 LEU 69 3HD1 LEU 69 2.648 -12.035 0.059 541 HD21 LEU 69 1HD2 LEU 69 1.523 -10.123 2.828 542 HD22 LEU 69 2HD2 LEU 69 1.018 -11.562 3.713 543 HD23 LEU 69 3HD2 LEU 69 0.436 -11.287 2.070 544 H GLN 70 H GLN 70 -0.175 -15.222 2.196 545 HA GLN 70 HA GLN 70 0.717 -17.968 2.698 546 HB2 GLN 70 1HB GLN 70 -1.960 -16.772 2.017 547 HB3 GLN 70 2HB GLN 70 -1.664 -18.502 1.906 548 HG2 GLN 70 1HG GLN 70 -1.233 -16.893 4.409 549 HG3 GLN 70 2HG GLN 70 -2.732 -17.740 4.028 550 HE21 GLN 70 1HE2 GLN 70 -2.867 -19.891 4.358 551 HE22 GLN 70 2HE2 GLN 70 -1.589 -20.859 5.003 552 HA PRO 71 HA PRO 71 1.878 -18.529 -1.513 553 HB2 PRO 71 1HB PRO 71 1.734 -21.238 -1.623 554 HB3 PRO 71 2HB PRO 71 3.033 -20.378 -0.787 555 HG2 PRO 71 1HG PRO 71 0.563 -21.639 0.342 556 HG3 PRO 71 2HG PRO 71 2.226 -21.687 0.957 557 HD2 PRO 71 1HD PRO 71 0.342 -20.031 1.977 558 HD3 PRO 71 2HD PRO 71 2.063 -19.600 1.920 559 H ASP 72 H ASP 72 0.888 -18.640 -3.461 560 HA ASP 72 HA ASP 72 -0.758 -18.815 -5.021 561 HB2 ASP 72 1HB ASP 72 -0.525 -21.254 -4.355 562 HB3 ASP 72 2HB ASP 72 -1.927 -21.015 -3.315 563 H THR 73 H THR 73 -1.130 -16.811 -3.229 564 HA THR 73 HA THR 73 -4.058 -16.767 -2.955 565 HB THR 73 HB THR 73 -2.199 -15.528 -0.923 566 HG1 THR 73 1HG THR 73 -3.337 -17.408 0.313 567 HG21 THR 73 1HG2 THR 73 -5.059 -16.199 -0.425 568 HG22 THR 73 2HG2 THR 73 -4.687 -14.776 -1.398 569 HG23 THR 73 3HG2 THR 73 -4.071 -14.904 0.249 570 H THR 74 H THR 74 -5.044 -14.761 -3.266 571 HA THR 74 HA THR 74 -3.432 -12.869 -4.792 572 HB THR 74 HB THR 74 -6.428 -12.950 -4.381 573 HG1 THR 74 1HG THR 74 -5.112 -14.640 -5.704 574 HG21 THR 74 1HG2 THR 74 -4.831 -11.414 -6.430 575 HG22 THR 74 2HG2 THR 74 -5.458 -10.711 -4.939 576 HG23 THR 74 3HG2 THR 74 -6.571 -11.341 -6.153 577 H TYR 75 H TYR 75 -2.643 -11.090 -3.898 578 HA TYR 75 HA TYR 75 -3.972 -10.013 -1.498 579 HB2 TYR 75 1HB TYR 75 -1.055 -10.155 -2.237 580 HB3 TYR 75 2HB TYR 75 -1.646 -9.029 -1.021 581 HD1 TYR 75 2HD TYR 75 -2.588 -9.868 1.094 582 HD2 TYR 75 1HD TYR 75 -0.904 -12.509 -1.786 583 HE1 TYR 75 2HE TYR 75 -2.463 -11.637 2.798 584 HE2 TYR 75 1HE TYR 75 -0.775 -14.286 -0.090 585 HH TYR 75 HH TYR 75 -1.313 -13.674 3.257 586 H ILE 76 H ILE 76 -4.952 -8.142 -1.830 587 HA ILE 76 HA ILE 76 -4.314 -6.535 -4.158 588 HB ILE 76 HB ILE 76 -6.354 -5.897 -2.034 589 HG12 ILE 76 1HG1 ILE 76 -6.610 -8.217 -3.031 590 HG13 ILE 76 2HG1 ILE 76 -7.989 -7.142 -3.233 591 HG21 ILE 76 1HG2 ILE 76 -7.458 -4.787 -4.022 592 HG22 ILE 76 2HG2 ILE 76 -5.976 -4.034 -3.433 593 HG23 ILE 76 3HG2 ILE 76 -5.940 -5.036 -4.884 594 HD11 ILE 76 1HD1 ILE 76 -7.437 -8.470 -5.245 595 HD12 ILE 76 2HD1 ILE 76 -7.402 -6.727 -5.515 596 HD13 ILE 76 3HD1 ILE 76 -5.893 -7.623 -5.335 597 H VAL 77 H VAL 77 -3.203 -4.676 -4.172 598 HA VAL 77 HA VAL 77 -2.518 -3.443 -1.585 599 HB VAL 77 HB VAL 77 -0.640 -3.642 -3.940 600 HG11 VAL 77 1HG1 VAL 77 0.242 -3.036 -1.170 601 HG12 VAL 77 2HG1 VAL 77 0.896 -2.486 -2.714 602 HG13 VAL 77 3HG1 VAL 77 -0.580 -1.764 -2.073 603 HG21 VAL 77 1HG2 VAL 77 -1.291 -5.593 -1.941 604 HG22 VAL 77 2HG2 VAL 77 -0.167 -5.716 -3.294 605 HG23 VAL 77 3HG2 VAL 77 0.382 -5.069 -1.748 606 H ARG 78 H ARG 78 -2.483 -1.228 -1.507 607 HA ARG 78 HA ARG 78 -2.816 0.306 -3.956 608 HB2 ARG 78 1HB ARG 78 -4.815 1.474 -3.093 609 HB3 ARG 78 2HB ARG 78 -5.110 -0.235 -3.385 610 HG2 ARG 78 1HG ARG 78 -5.085 -0.733 -1.076 611 HG3 ARG 78 2HG ARG 78 -4.426 0.854 -0.671 612 HD2 ARG 78 1HD ARG 78 -6.808 0.726 -0.153 613 HD3 ARG 78 2HD ARG 78 -6.492 1.912 -1.418 614 HE ARG 78 HE ARG 78 -7.087 -0.299 -2.831 615 HH11 ARG 78 2HH1 ARG 78 -8.676 1.293 -0.174 616 HH12 ARG 78 1HH1 ARG 78 -10.265 0.801 -0.659 617 HH21 ARG 78 2HH2 ARG 78 -9.173 -0.952 -3.481 618 HH22 ARG 78 1HH2 ARG 78 -10.546 -0.477 -2.540 619 H VAL 79 H VAL 79 -1.735 2.170 -3.847 620 HA VAL 79 HA VAL 79 -1.061 3.242 -1.186 621 HB VAL 79 HB VAL 79 0.861 2.090 -2.395 622 HG11 VAL 79 1HG1 VAL 79 0.079 3.280 -4.601 623 HG12 VAL 79 2HG1 VAL 79 1.129 4.573 -4.018 624 HG13 VAL 79 3HG1 VAL 79 1.788 2.962 -4.303 625 HG21 VAL 79 1HG2 VAL 79 0.747 4.494 -0.893 626 HG22 VAL 79 2HG2 VAL 79 2.050 3.309 -0.969 627 HG23 VAL 79 3HG2 VAL 79 2.024 4.665 -2.097 628 H ARG 80 H ARG 80 -1.132 5.439 -0.933 629 HA ARG 80 HA ARG 80 -1.693 7.099 -3.278 630 HB2 ARG 80 1HB ARG 80 -3.623 8.118 -2.297 631 HB3 ARG 80 2HB ARG 80 -3.862 6.377 -2.248 632 HG2 ARG 80 1HG ARG 80 -3.534 6.274 0.056 633 HG3 ARG 80 2HG ARG 80 -2.751 7.855 0.107 634 HD2 ARG 80 1HD ARG 80 -4.948 8.848 -0.604 635 HD3 ARG 80 2HD ARG 80 -5.666 7.256 -0.357 636 HE ARG 80 HE ARG 80 -4.285 7.996 1.968 637 HH11 ARG 80 2HH1 ARG 80 -7.108 8.891 0.138 638 HH12 ARG 80 1HH1 ARG 80 -7.977 9.476 1.518 639 HH21 ARG 80 2HH2 ARG 80 -5.419 8.763 3.792 640 HH22 ARG 80 1HH2 ARG 80 -7.016 9.403 3.596 641 H THR 81 H THR 81 -1.345 9.366 -2.928 642 HA THR 81 HA THR 81 0.779 9.849 -1.010 643 HB THR 81 HB THR 81 -0.376 11.695 -3.110 644 HG1 THR 81 1HG THR 81 1.601 9.717 -3.149 645 HG21 THR 81 1HG2 THR 81 2.021 12.700 -2.746 646 HG22 THR 81 2HG2 THR 81 1.875 11.938 -1.162 647 HG23 THR 81 3HG2 THR 81 0.695 13.145 -1.672 648 H LEU 82 H LEU 82 0.531 10.844 0.881 649 HA LEU 82 HA LEU 82 -2.074 11.791 1.675 650 HB2 LEU 82 1HB LEU 82 0.517 11.250 3.008 651 HB3 LEU 82 2HB LEU 82 -0.556 12.417 3.777 652 HG LEU 82 HG LEU 82 -0.997 10.362 4.826 653 HD11 LEU 82 1HD1 LEU 82 -2.956 11.704 3.466 654 HD12 LEU 82 2HD1 LEU 82 -3.223 10.443 4.670 655 HD13 LEU 82 3HD1 LEU 82 -3.212 10.035 2.954 656 HD21 LEU 82 1HD2 LEU 82 -1.832 8.599 2.801 657 HD22 LEU 82 2HD2 LEU 82 -0.415 8.460 3.842 658 HD23 LEU 82 3HD2 LEU 82 -0.285 9.265 2.278 659 H THR 83 H THR 83 -2.686 13.867 2.120 660 HA THR 83 HA THR 83 -0.727 16.007 1.672 661 HB THR 83 HB THR 83 -1.969 17.137 0.095 662 HG1 THR 83 1HG THR 83 -4.130 17.161 0.055 663 HG21 THR 83 1HG2 THR 83 -1.458 14.508 -0.450 664 HG22 THR 83 2HG2 THR 83 -2.004 15.697 -1.633 665 HG23 THR 83 3HG2 THR 83 -3.171 14.634 -0.846 666 HA PRO 84 HA PRO 84 -2.498 17.886 5.225 667 HB2 PRO 84 1HB PRO 84 -2.086 20.512 4.674 668 HB3 PRO 84 2HB PRO 84 -0.780 19.408 5.122 669 HG2 PRO 84 1HG PRO 84 -1.609 20.358 2.407 670 HG3 PRO 84 2HG PRO 84 0.022 20.176 3.079 671 HD2 PRO 84 1HD PRO 84 -1.078 18.350 1.409 672 HD3 PRO 84 2HD PRO 84 0.063 17.904 2.693 673 H LEU 85 H LEU 85 -3.498 19.201 2.091 674 HA LEU 85 HA LEU 85 -6.171 19.676 3.232 675 HB2 LEU 85 1HB LEU 85 -6.199 21.405 1.214 676 HB3 LEU 85 2HB LEU 85 -5.642 21.835 2.829 677 HG LEU 85 HG LEU 85 -3.307 21.434 2.063 678 HD11 LEU 85 1HD1 LEU 85 -2.889 21.337 -0.354 679 HD12 LEU 85 2HD1 LEU 85 -4.622 21.186 -0.638 680 HD13 LEU 85 3HD1 LEU 85 -3.757 19.916 0.228 681 HD21 LEU 85 1HD2 LEU 85 -4.430 23.679 2.087 682 HD22 LEU 85 2HD2 LEU 85 -4.751 23.462 0.366 683 HD23 LEU 85 3HD2 LEU 85 -3.088 23.527 0.953 684 H GLY 86 H GLY 86 -7.049 17.746 2.538 685 HA2 GLY 86 1HA GLY 86 -8.346 16.580 1.002 686 HA3 GLY 86 2HA GLY 86 -7.774 17.661 -0.259 687 HA PRO 87 HA PRO 87 -4.623 13.992 0.366 688 HB2 PRO 87 1HB PRO 87 -5.814 11.705 1.217 689 HB3 PRO 87 2HB PRO 87 -5.085 12.876 2.321 690 HG2 PRO 87 1HG PRO 87 -7.962 12.504 1.583 691 HG3 PRO 87 2HG PRO 87 -7.246 12.801 3.178 692 HD2 PRO 87 1HD PRO 87 -8.415 14.759 1.719 693 HD3 PRO 87 2HD PRO 87 -7.046 15.067 2.805 694 H GLY 88 H GLY 88 -4.148 12.845 -1.432 695 HA2 GLY 88 1HA GLY 88 -5.899 12.742 -3.604 696 HA3 GLY 88 2HA GLY 88 -4.412 11.815 -3.465 697 HA PRO 89 HA PRO 89 -8.342 9.128 -3.214 698 HB2 PRO 89 1HB PRO 89 -8.293 8.103 -5.728 699 HB3 PRO 89 2HB PRO 89 -9.177 9.575 -5.307 700 HG2 PRO 89 1HG PRO 89 -6.487 9.282 -6.587 701 HG3 PRO 89 2HG PRO 89 -7.806 10.395 -6.997 702 HD2 PRO 89 1HD PRO 89 -5.652 11.160 -5.545 703 HD3 PRO 89 2HD PRO 89 -7.265 11.859 -5.301 704 H PHE 90 H PHE 90 -8.350 6.802 -3.237 705 HA PHE 90 HA PHE 90 -5.719 5.699 -2.767 706 HB2 PHE 90 1HB PHE 90 -8.522 4.851 -2.245 707 HB3 PHE 90 2HB PHE 90 -7.312 3.582 -2.398 708 HD1 PHE 90 2HD PHE 90 -5.286 3.664 -0.892 709 HD2 PHE 90 1HD PHE 90 -8.732 6.085 -0.274 710 HE1 PHE 90 2HE PHE 90 -4.605 4.031 1.443 711 HE2 PHE 90 1HE PHE 90 -8.055 6.457 2.063 712 HZ PHE 90 HZ PHE 90 -5.990 5.428 2.924 713 H SER 91 H SER 91 -4.542 4.731 -4.269 714 HA SER 91 HA SER 91 -5.082 4.426 -6.900 715 HB2 SER 91 1HB SER 91 -3.166 3.152 -7.058 716 HB3 SER 91 2HB SER 91 -2.939 3.843 -5.452 717 HG SER 91 HG SER 91 -2.636 1.513 -5.621 718 HA PRO 92 HA PRO 92 -8.056 1.261 -7.529 719 HB2 PRO 92 1HB PRO 92 -7.196 0.177 -9.866 720 HB3 PRO 92 2HB PRO 92 -7.953 1.772 -9.767 721 HG2 PRO 92 1HG PRO 92 -5.050 1.060 -9.930 722 HG3 PRO 92 2HG PRO 92 -5.937 2.342 -10.776 723 HD2 PRO 92 1HD PRO 92 -4.417 2.822 -8.587 724 HD3 PRO 92 2HD PRO 92 -5.883 3.754 -8.955 725 H ASP 93 H ASP 93 -8.378 -0.774 -6.843 726 HA ASP 93 HA ASP 93 -6.525 -2.294 -5.544 727 HB2 ASP 93 1HB ASP 93 -8.056 -4.230 -5.883 728 HB3 ASP 93 2HB ASP 93 -8.888 -2.769 -5.356 729 H HIS 94 H HIS 94 -4.731 -3.285 -6.156 730 HA HIS 94 HA HIS 94 -4.372 -3.984 -8.975 731 HB2 HIS 94 1HB HIS 94 -2.525 -3.420 -6.698 732 HB3 HIS 94 2HB HIS 94 -1.953 -4.457 -8.002 733 HD1 HIS 94 1HD HIS 94 -3.611 -1.039 -7.694 734 HD2 HIS 94 2HD HIS 94 -0.792 -3.051 -9.989 735 HE1 HIS 94 1HE HIS 94 -2.714 0.669 -9.308 736 HE2 HIS 94 2HE HIS 94 -1.072 -0.592 -10.742 737 H GLU 95 H GLU 95 -4.918 -5.981 -9.538 738 HA GLU 95 HA GLU 95 -5.180 -8.112 -7.666 739 HB2 GLU 95 1HB GLU 95 -5.510 -7.789 -10.605 740 HB3 GLU 95 2HB GLU 95 -5.275 -9.420 -9.993 741 HG2 GLU 95 1HG GLU 95 -7.274 -9.448 -8.890 742 HG3 GLU 95 2HG GLU 95 -7.311 -7.698 -8.683 743 H PHE 96 H PHE 96 -3.398 -8.886 -6.712 744 HA PHE 96 HA PHE 96 -1.138 -9.647 -8.443 745 HB2 PHE 96 1HB PHE 96 -1.161 -8.568 -5.631 746 HB3 PHE 96 2HB PHE 96 0.224 -9.442 -6.275 747 HD1 PHE 96 1HD PHE 96 0.803 -8.544 -8.808 748 HD2 PHE 96 2HD PHE 96 -0.924 -6.298 -5.632 749 HE1 PHE 96 1HE PHE 96 1.640 -6.467 -9.827 750 HE2 PHE 96 2HE PHE 96 -0.090 -4.217 -6.645 751 HZ PHE 96 HZ PHE 96 1.193 -4.299 -8.746 752 H ARG 97 H ARG 97 0.004 -11.575 -7.879 753 HA ARG 97 HA ARG 97 -1.408 -13.394 -6.061 754 HB2 ARG 97 1HB ARG 97 -2.172 -13.819 -8.388 755 HB3 ARG 97 2HB ARG 97 -0.505 -14.145 -8.846 756 HG2 ARG 97 1HG ARG 97 -0.473 -16.008 -7.210 757 HG3 ARG 97 2HG ARG 97 -2.188 -15.719 -6.910 758 HD2 ARG 97 1HD ARG 97 -2.257 -17.400 -8.490 759 HD3 ARG 97 2HD ARG 97 -2.405 -15.955 -9.489 760 HE ARG 97 HE ARG 97 0.303 -16.857 -9.140 761 HH11 ARG 97 2HH1 ARG 97 -2.608 -17.174 -11.024 762 HH12 ARG 97 1HH1 ARG 97 -1.788 -17.760 -12.433 763 HH21 ARG 97 2HH2 ARG 97 1.394 -17.628 -10.989 764 HH22 ARG 97 1HH2 ARG 97 0.489 -18.019 -12.412 765 H THR 98 H THR 98 -0.115 -14.721 -4.893 766 HA THR 98 HA THR 98 2.727 -14.203 -4.977 767 HB THR 98 HB THR 98 2.818 -15.711 -2.991 768 HG1 THR 98 1HG THR 98 1.017 -16.694 -2.276 769 HG21 THR 98 1HG2 THR 98 2.348 -13.217 -2.892 770 HG22 THR 98 2HG2 THR 98 1.857 -14.159 -1.484 771 HG23 THR 98 3HG2 THR 98 0.653 -13.645 -2.665 772 H SER 99 H SER 99 4.022 -16.399 -4.341 773 HA SER 99 HA SER 99 3.911 -17.968 -6.764 774 HB2 SER 99 1HB SER 99 6.107 -17.415 -6.085 775 HB3 SER 99 2HB SER 99 5.797 -17.885 -4.413 776 HG SER 99 HG SER 99 5.713 -20.040 -5.084 777 HA PRO 100 HA PRO 100 1.555 -21.326 -5.169 778 HB2 PRO 100 1HB PRO 100 2.395 -23.276 -6.861 779 HB3 PRO 100 2HB PRO 100 1.296 -21.983 -7.356 780 HG2 PRO 100 1HG PRO 100 4.251 -22.220 -7.772 781 HG3 PRO 100 2HG PRO 100 3.001 -21.682 -8.908 782 HD2 PRO 100 1HD PRO 100 4.586 -19.950 -7.560 783 HD3 PRO 100 2HD PRO 100 2.911 -19.565 -8.003 784 HA PRO 101 HA PRO 101 4.160 -23.474 -2.327 785 HB2 PRO 101 1HB PRO 101 2.478 -25.497 -1.657 786 HB3 PRO 101 2HB PRO 101 2.258 -23.837 -1.091 787 HG2 PRO 101 1HG PRO 101 0.906 -25.265 -3.349 788 HG3 PRO 101 2HG PRO 101 0.205 -24.190 -2.125 789 HD2 PRO 101 1HD PRO 101 0.777 -23.359 -4.638 790 HD3 PRO 101 2HD PRO 101 0.883 -22.284 -3.229 791 H SER 102 H SER 102 5.088 -25.645 -1.926 792 HA SER 102 HA SER 102 6.138 -26.763 -4.283 793 HB2 SER 102 1HB SER 102 6.089 -27.947 -1.496 794 HB3 SER 102 2HB SER 102 7.145 -28.454 -2.814 795 HG SER 102 HG SER 102 8.163 -26.473 -2.736 796 H GLY 103 H GLY 103 5.841 -28.827 -5.216 797 HA2 GLY 103 1HA GLY 103 3.178 -29.989 -4.672 798 HA3 GLY 103 2HA GLY 103 3.897 -29.906 -6.274 799 HA PRO 104 HA PRO 104 5.113 -33.822 -3.732 800 HB2 PRO 104 1HB PRO 104 3.044 -35.494 -4.275 801 HB3 PRO 104 2HB PRO 104 3.090 -34.456 -2.846 802 HG2 PRO 104 1HG PRO 104 1.670 -34.035 -5.447 803 HG3 PRO 104 2HG PRO 104 1.089 -33.748 -3.797 804 HD2 PRO 104 1HD PRO 104 1.989 -31.754 -5.393 805 HD3 PRO 104 2HD PRO 104 2.185 -31.727 -3.628 806 H SER 105 H SER 105 5.292 -36.105 -4.734 807 HA SER 105 HA SER 105 6.655 -35.978 -7.124 808 HB2 SER 105 1HB SER 105 6.657 -37.885 -5.461 809 HB3 SER 105 2HB SER 105 5.143 -38.423 -6.186 810 HG SER 105 HG SER 105 7.723 -38.580 -7.150 811 H SER 106 H SER 106 6.130 -35.923 -9.219 812 HA SER 106 HA SER 106 3.344 -35.695 -9.946 813 HB2 SER 106 1HB SER 106 4.841 -34.136 -10.985 814 HB3 SER 106 2HB SER 106 5.905 -35.432 -11.531 815 HG SER 106 HG SER 106 4.526 -35.933 -13.101 816 H GLY 107 H GLY 107 6.060 -37.833 -10.786 817 HA2 GLY 107 1HA GLY 107 4.112 -39.708 -11.966 818 HA3 GLY 107 2HA GLY 107 5.819 -39.644 -12.379 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -14.533 -7.190 -9.569 2 HA2 GLY 1 1HA GLY 1 -14.338 -7.884 -11.910 3 HA3 GLY 1 2HA GLY 1 -15.550 -6.618 -11.778 4 H SER 2 H SER 2 -14.667 -6.750 -14.182 5 HA SER 2 HA SER 2 -12.457 -4.819 -14.434 6 HB2 SER 2 1HB SER 2 -13.460 -6.960 -16.312 7 HB3 SER 2 2HB SER 2 -12.364 -5.681 -16.833 8 HG SER 2 HG SER 2 -11.555 -7.861 -15.926 9 H SER 3 H SER 3 -15.662 -5.672 -15.678 10 HA SER 3 HA SER 3 -17.098 -4.481 -17.042 11 HB2 SER 3 1HB SER 3 -17.945 -2.502 -15.898 12 HB3 SER 3 2HB SER 3 -17.598 -3.766 -14.719 13 HG SER 3 HG SER 3 -15.514 -2.031 -15.261 14 H GLY 4 H GLY 4 -14.679 -4.403 -18.278 15 HA2 GLY 4 1HA GLY 4 -13.239 -3.112 -19.569 16 HA3 GLY 4 2HA GLY 4 -14.778 -2.502 -20.158 17 H SER 5 H SER 5 -12.791 -2.050 -17.228 18 HA SER 5 HA SER 5 -12.328 0.709 -17.788 19 HB2 SER 5 1HB SER 5 -13.626 1.681 -15.970 20 HB3 SER 5 2HB SER 5 -14.702 0.810 -17.064 21 HG SER 5 HG SER 5 -14.543 0.490 -14.501 22 H SER 6 H SER 6 -10.770 1.601 -16.455 23 HA SER 6 HA SER 6 -9.760 -0.110 -14.285 24 HB2 SER 6 1HB SER 6 -7.437 0.544 -15.003 25 HB3 SER 6 2HB SER 6 -8.283 -0.504 -16.141 26 HG SER 6 HG SER 6 -7.227 1.876 -16.601 27 H GLY 7 H GLY 7 -9.724 3.125 -15.746 28 HA2 GLY 7 1HA GLY 7 -10.488 4.723 -13.794 29 HA3 GLY 7 2HA GLY 7 -8.895 4.286 -13.193 30 H ALA 8 H ALA 8 -9.755 6.920 -13.840 31 HA ALA 8 HA ALA 8 -9.084 7.887 -16.330 32 HB1 ALA 8 1HB ALA 8 -9.718 8.996 -13.880 33 HB2 ALA 8 2HB ALA 8 -8.110 9.632 -14.228 34 HB3 ALA 8 3HB ALA 8 -9.422 9.873 -15.381 35 H GLU 9 H GLU 9 -7.168 8.937 -17.133 36 HA GLU 9 HA GLU 9 -4.858 7.367 -16.935 37 HB2 GLU 9 1HB GLU 9 -5.461 10.054 -18.111 38 HB3 GLU 9 2HB GLU 9 -3.793 9.505 -18.022 39 HG2 GLU 9 1HG GLU 9 -5.820 7.677 -19.192 40 HG3 GLU 9 2HG GLU 9 -5.282 9.061 -20.142 41 H SER 10 H SER 10 -5.442 10.659 -15.694 42 HA SER 10 HA SER 10 -2.988 10.705 -14.222 43 HB2 SER 10 1HB SER 10 -4.066 12.761 -15.098 44 HB3 SER 10 2HB SER 10 -5.398 12.521 -13.968 45 HG SER 10 HG SER 10 -2.763 12.606 -13.003 46 H LEU 11 H LEU 11 -2.769 9.272 -12.609 47 HA LEU 11 HA LEU 11 -4.888 9.193 -10.563 48 HB2 LEU 11 1HB LEU 11 -4.825 7.093 -11.763 49 HB3 LEU 11 2HB LEU 11 -3.089 6.959 -11.490 50 HG LEU 11 HG LEU 11 -3.562 6.778 -9.044 51 HD11 LEU 11 1HD1 LEU 11 -6.065 5.935 -8.747 52 HD12 LEU 11 2HD1 LEU 11 -6.329 7.083 -10.059 53 HD13 LEU 11 3HD1 LEU 11 -5.607 7.627 -8.545 54 HD21 LEU 11 1HD2 LEU 11 -4.034 4.483 -9.125 55 HD22 LEU 11 2HD2 LEU 11 -3.263 4.837 -10.671 56 HD23 LEU 11 3HD2 LEU 11 -5.015 4.646 -10.581 57 H SER 12 H SER 12 -3.588 11.023 -9.704 58 HA SER 12 HA SER 12 -1.918 11.936 -8.414 59 HB2 SER 12 1HB SER 12 -3.455 10.537 -6.888 60 HB3 SER 12 2HB SER 12 -2.127 9.378 -6.834 61 HG SER 12 HG SER 12 -2.294 11.198 -5.186 62 H GLY 13 H GLY 13 -0.877 10.481 -10.646 63 HA2 GLY 13 1HA GLY 13 1.032 9.413 -11.397 64 HA3 GLY 13 2HA GLY 13 1.802 10.505 -10.256 65 H LEU 14 H LEU 14 -0.012 7.433 -10.195 66 HA LEU 14 HA LEU 14 2.145 6.266 -8.600 67 HB2 LEU 14 1HB LEU 14 -0.746 6.432 -7.817 68 HB3 LEU 14 2HB LEU 14 0.302 5.156 -7.201 69 HG LEU 14 HG LEU 14 0.862 8.093 -6.830 70 HD11 LEU 14 1HD1 LEU 14 -0.225 8.086 -4.801 71 HD12 LEU 14 2HD1 LEU 14 -0.188 6.329 -4.664 72 HD13 LEU 14 3HD1 LEU 14 -1.308 7.101 -5.785 73 HD21 LEU 14 1HD2 LEU 14 1.930 5.671 -5.387 74 HD22 LEU 14 2HD2 LEU 14 2.422 7.348 -5.155 75 HD23 LEU 14 3HD2 LEU 14 2.777 6.527 -6.676 76 H SER 15 H SER 15 2.571 4.180 -9.081 77 HA SER 15 HA SER 15 0.603 2.592 -10.532 78 HB2 SER 15 1HB SER 15 2.174 2.025 -12.326 79 HB3 SER 15 2HB SER 15 1.881 3.764 -12.290 80 HG SER 15 HG SER 15 4.006 3.769 -12.312 81 H LEU 16 H LEU 16 0.465 0.934 -9.149 82 HA LEU 16 HA LEU 16 2.652 -0.032 -7.606 83 HB2 LEU 16 1HB LEU 16 -0.133 -0.991 -8.137 84 HB3 LEU 16 2HB LEU 16 1.010 -2.002 -7.254 85 HG LEU 16 HG LEU 16 0.256 0.787 -6.398 86 HD11 LEU 16 1HD1 LEU 16 -1.646 0.039 -5.543 87 HD12 LEU 16 2HD1 LEU 16 -0.806 -1.275 -4.720 88 HD13 LEU 16 3HD1 LEU 16 -1.381 -1.495 -6.373 89 HD21 LEU 16 1HD2 LEU 16 2.410 -0.583 -5.659 90 HD22 LEU 16 2HD2 LEU 16 1.245 -1.314 -4.554 91 HD23 LEU 16 3HD2 LEU 16 1.506 0.431 -4.533 92 H LYS 17 H LYS 17 4.336 -0.993 -8.542 93 HA LYS 17 HA LYS 17 3.829 -2.933 -10.699 94 HB2 LYS 17 1HB LYS 17 5.279 -1.396 -11.637 95 HB3 LYS 17 2HB LYS 17 6.097 -1.078 -10.113 96 HG2 LYS 17 1HG LYS 17 7.415 -2.991 -10.280 97 HG3 LYS 17 2HG LYS 17 6.355 -3.728 -11.484 98 HD2 LYS 17 1HD LYS 17 7.105 -2.276 -13.183 99 HD3 LYS 17 2HD LYS 17 7.865 -1.184 -12.023 100 HE2 LYS 17 1HE LYS 17 8.775 -4.024 -12.219 101 HE3 LYS 17 2HE LYS 17 9.325 -2.843 -13.407 102 HZ1 LYS 17 1HZ LYS 17 10.941 -2.731 -11.790 103 HZ2 LYS 17 2HZ LYS 17 9.853 -2.939 -10.512 104 HZ3 LYS 17 3HZ LYS 17 9.922 -1.461 -11.332 105 H LEU 18 H LEU 18 4.311 -5.020 -10.396 106 HA LEU 18 HA LEU 18 5.030 -5.960 -7.810 107 HB2 LEU 18 1HB LEU 18 3.554 -7.243 -9.220 108 HB3 LEU 18 2HB LEU 18 4.800 -7.380 -10.459 109 HG LEU 18 HG LEU 18 6.148 -8.737 -8.862 110 HD11 LEU 18 1HD1 LEU 18 3.732 -8.277 -7.165 111 HD12 LEU 18 2HD1 LEU 18 5.440 -8.204 -6.731 112 HD13 LEU 18 3HD1 LEU 18 4.664 -9.765 -6.998 113 HD21 LEU 18 1HD2 LEU 18 4.413 -9.595 -10.597 114 HD22 LEU 18 2HD2 LEU 18 3.471 -10.032 -9.171 115 HD23 LEU 18 3HD2 LEU 18 5.082 -10.712 -9.407 116 H VAL 19 H VAL 19 7.038 -5.509 -7.105 117 HA VAL 19 HA VAL 19 9.340 -5.545 -8.805 118 HB VAL 19 HB VAL 19 8.830 -5.041 -5.928 119 HG11 VAL 19 1HG1 VAL 19 11.396 -5.012 -5.633 120 HG12 VAL 19 2HG1 VAL 19 10.546 -6.553 -5.514 121 HG13 VAL 19 3HG1 VAL 19 11.407 -6.132 -6.994 122 HG21 VAL 19 1HG2 VAL 19 9.201 -2.983 -6.677 123 HG22 VAL 19 2HG2 VAL 19 10.878 -3.428 -6.994 124 HG23 VAL 19 3HG2 VAL 19 9.664 -3.607 -8.261 125 H LYS 20 H LYS 20 8.579 -7.487 -5.908 126 HA LYS 20 HA LYS 20 9.853 -9.790 -7.222 127 HB2 LYS 20 1HB LYS 20 11.470 -8.974 -5.647 128 HB3 LYS 20 2HB LYS 20 10.251 -8.832 -4.387 129 HG2 LYS 20 1HG LYS 20 11.224 -10.775 -3.739 130 HG3 LYS 20 2HG LYS 20 10.005 -11.427 -4.837 131 HD2 LYS 20 1HD LYS 20 12.649 -10.673 -5.970 132 HD3 LYS 20 2HD LYS 20 12.553 -12.140 -4.993 133 HE2 LYS 20 1HE LYS 20 10.749 -12.968 -6.435 134 HE3 LYS 20 2HE LYS 20 10.869 -11.507 -7.416 135 HZ1 LYS 20 1HZ LYS 20 12.105 -13.118 -8.546 136 HZ2 LYS 20 2HZ LYS 20 12.847 -13.689 -7.137 137 HZ3 LYS 20 3HZ LYS 20 13.272 -12.176 -7.762 138 H LYS 21 H LYS 21 8.785 -11.683 -7.058 139 HA LYS 21 HA LYS 21 6.324 -11.692 -5.443 140 HB2 LYS 21 1HB LYS 21 5.959 -11.887 -7.864 141 HB3 LYS 21 2HB LYS 21 7.005 -13.300 -7.912 142 HG2 LYS 21 1HG LYS 21 5.351 -14.298 -6.202 143 HG3 LYS 21 2HG LYS 21 4.264 -13.021 -6.752 144 HD2 LYS 21 1HD LYS 21 5.629 -14.956 -8.615 145 HD3 LYS 21 2HD LYS 21 4.024 -15.231 -7.935 146 HE2 LYS 21 1HE LYS 21 3.066 -13.551 -9.169 147 HE3 LYS 21 2HE LYS 21 4.570 -12.641 -9.298 148 HZ1 LYS 21 1HZ LYS 21 3.462 -14.476 -11.124 149 HZ2 LYS 21 2HZ LYS 21 4.963 -15.060 -10.607 150 HZ3 LYS 21 3HZ LYS 21 4.847 -13.519 -11.296 151 H GLU 22 H GLU 22 6.599 -12.756 -3.595 152 HA GLU 22 HA GLU 22 8.099 -15.292 -3.663 153 HB2 GLU 22 1HB GLU 22 8.144 -13.053 -1.688 154 HB3 GLU 22 2HB GLU 22 8.376 -14.694 -1.102 155 HG2 GLU 22 1HG GLU 22 10.002 -13.613 -3.371 156 HG3 GLU 22 2HG GLU 22 10.442 -13.301 -1.693 157 HA PRO 23 HA PRO 23 4.564 -17.340 -2.063 158 HB2 PRO 23 1HB PRO 23 5.693 -19.206 -0.446 159 HB3 PRO 23 2HB PRO 23 5.766 -19.293 -2.210 160 HG2 PRO 23 1HG PRO 23 7.833 -18.320 -0.275 161 HG3 PRO 23 2HG PRO 23 8.036 -19.345 -1.708 162 HD2 PRO 23 1HD PRO 23 8.597 -16.696 -1.720 163 HD3 PRO 23 2HD PRO 23 7.991 -17.550 -3.153 164 H ARG 24 H ARG 24 6.958 -16.297 0.322 165 HA ARG 24 HA ARG 24 4.753 -15.828 2.220 166 HB2 ARG 24 1HB ARG 24 7.587 -16.680 2.840 167 HB3 ARG 24 2HB ARG 24 6.389 -16.228 4.045 168 HG2 ARG 24 1HG ARG 24 5.013 -18.106 3.466 169 HG3 ARG 24 2HG ARG 24 6.069 -18.512 2.111 170 HD2 ARG 24 1HD ARG 24 6.687 -19.998 3.814 171 HD3 ARG 24 2HD ARG 24 7.923 -18.741 3.846 172 HE ARG 24 HE ARG 24 5.954 -19.305 5.885 173 HH11 ARG 24 2HH1 ARG 24 8.233 -17.010 4.598 174 HH12 ARG 24 1HH1 ARG 24 8.400 -16.142 6.088 175 HH21 ARG 24 2HH2 ARG 24 6.165 -18.171 7.853 176 HH22 ARG 24 1HH2 ARG 24 7.224 -16.804 7.939 177 H GLN 25 H GLN 25 5.912 -14.037 0.211 178 HA GLN 25 HA GLN 25 6.258 -11.745 1.885 179 HB2 GLN 25 1HB GLN 25 8.575 -12.998 1.608 180 HB3 GLN 25 2HB GLN 25 8.582 -12.162 0.061 181 HG2 GLN 25 1HG GLN 25 8.396 -10.025 1.174 182 HG3 GLN 25 2HG GLN 25 8.278 -10.826 2.740 183 HE21 GLN 25 1HE2 GLN 25 10.378 -10.037 0.073 184 HE22 GLN 25 2HE2 GLN 25 11.866 -10.332 0.898 185 H LEU 26 H LEU 26 6.475 -9.739 0.606 186 HA LEU 26 HA LEU 26 5.957 -9.916 -2.234 187 HB2 LEU 26 1HB LEU 26 3.862 -9.263 -0.239 188 HB3 LEU 26 2HB LEU 26 3.905 -8.301 -1.715 189 HG LEU 26 HG LEU 26 3.621 -11.303 -1.596 190 HD11 LEU 26 1HD1 LEU 26 1.574 -9.178 -2.213 191 HD12 LEU 26 2HD1 LEU 26 1.650 -10.134 -0.734 192 HD13 LEU 26 3HD1 LEU 26 1.321 -10.923 -2.277 193 HD21 LEU 26 1HD2 LEU 26 3.868 -9.328 -3.819 194 HD22 LEU 26 2HD2 LEU 26 2.869 -10.765 -4.041 195 HD23 LEU 26 3HD2 LEU 26 4.583 -10.932 -3.653 196 H GLU 27 H GLU 27 7.115 -8.359 -3.139 197 HA GLU 27 HA GLU 27 7.527 -5.858 -1.635 198 HB2 GLU 27 1HB GLU 27 9.553 -7.357 -1.972 199 HB3 GLU 27 2HB GLU 27 9.426 -6.989 -3.687 200 HG2 GLU 27 1HG GLU 27 9.718 -4.615 -3.203 201 HG3 GLU 27 2HG GLU 27 9.840 -4.980 -1.483 202 H LEU 28 H LEU 28 6.891 -4.026 -2.578 203 HA LEU 28 HA LEU 28 6.435 -4.019 -5.484 204 HB2 LEU 28 1HB LEU 28 4.620 -2.551 -3.611 205 HB3 LEU 28 2HB LEU 28 4.343 -3.015 -5.289 206 HG LEU 28 HG LEU 28 4.457 -4.970 -2.996 207 HD11 LEU 28 1HD1 LEU 28 2.442 -3.102 -3.568 208 HD12 LEU 28 2HD1 LEU 28 2.358 -4.485 -2.477 209 HD13 LEU 28 3HD1 LEU 28 1.860 -4.658 -4.160 210 HD21 LEU 28 1HD2 LEU 28 3.045 -5.574 -5.509 211 HD22 LEU 28 2HD2 LEU 28 4.052 -6.606 -4.492 212 HD23 LEU 28 3HD2 LEU 28 4.802 -5.476 -5.621 213 H THR 29 H THR 29 6.271 -1.798 -6.386 214 HA THR 29 HA THR 29 7.497 0.312 -4.806 215 HB THR 29 HB THR 29 9.435 -0.903 -5.733 216 HG1 THR 29 1HG THR 29 10.295 1.017 -5.873 217 HG21 THR 29 1HG2 THR 29 9.791 -1.253 -8.002 218 HG22 THR 29 2HG2 THR 29 8.616 -0.027 -8.478 219 HG23 THR 29 3HG2 THR 29 8.065 -1.574 -7.837 220 H TRP 30 H TRP 30 6.587 2.201 -5.288 221 HA TRP 30 HA TRP 30 5.326 2.511 -7.934 222 HB2 TRP 30 1HB TRP 30 3.635 3.974 -6.762 223 HB3 TRP 30 2HB TRP 30 3.544 2.260 -6.363 224 HD1 TRP 30 HD TRP 30 4.546 5.636 -4.845 225 HE1 TRP 30 1HE TRP 30 4.639 5.386 -2.285 226 HE3 TRP 30 3HE TRP 30 3.883 0.578 -4.499 227 HZ2 TRP 30 2HZ TRP 30 4.456 3.318 -0.372 228 HZ3 TRP 30 3HZ TRP 30 3.855 -0.457 -2.267 229 HH2 TRP 30 HH TRP 30 4.136 0.886 -0.248 230 H ALA 31 H ALA 31 6.475 3.937 -9.055 231 HA ALA 31 HA ALA 31 7.334 6.407 -7.699 232 HB1 ALA 31 1HB ALA 31 8.963 5.342 -9.950 233 HB2 ALA 31 2HB ALA 31 9.447 6.334 -8.574 234 HB3 ALA 31 3HB ALA 31 9.143 4.610 -8.356 235 H GLY 32 H GLY 32 6.371 8.123 -8.554 236 HA2 GLY 32 1HA GLY 32 4.822 8.045 -10.906 237 HA3 GLY 32 2HA GLY 32 5.298 9.500 -10.044 238 H SER 33 H SER 33 5.834 10.774 -11.753 239 HA SER 33 HA SER 33 8.029 9.810 -13.469 240 HB2 SER 33 1HB SER 33 5.958 10.138 -14.745 241 HB3 SER 33 2HB SER 33 5.852 11.799 -14.161 242 HG SER 33 HG SER 33 8.192 11.729 -15.155 243 H ARG 34 H ARG 34 9.577 10.597 -11.966 244 HA ARG 34 HA ARG 34 10.186 13.402 -12.354 245 HB2 ARG 34 1HB ARG 34 9.404 12.249 -9.707 246 HB3 ARG 34 2HB ARG 34 10.631 13.507 -9.763 247 HG2 ARG 34 1HG ARG 34 8.995 14.918 -11.032 248 HG3 ARG 34 2HG ARG 34 7.778 13.687 -10.689 249 HD2 ARG 34 1HD ARG 34 7.422 15.119 -8.937 250 HD3 ARG 34 2HD ARG 34 8.602 14.024 -8.218 251 HE ARG 34 HE ARG 34 10.033 15.787 -8.049 252 HH11 ARG 34 2HH1 ARG 34 7.674 16.514 -10.504 253 HH12 ARG 34 1HH1 ARG 34 8.252 18.126 -10.765 254 HH21 ARG 34 2HH2 ARG 34 10.803 17.908 -8.384 255 HH22 ARG 34 1HH2 ARG 34 10.032 18.918 -9.560 256 HA PRO 35 HA PRO 35 14.321 11.931 -12.332 257 HB2 PRO 35 1HB PRO 35 15.658 14.114 -11.428 258 HB3 PRO 35 2HB PRO 35 14.945 14.025 -13.043 259 HG2 PRO 35 1HG PRO 35 13.874 15.327 -10.569 260 HG3 PRO 35 2HG PRO 35 13.885 15.931 -12.236 261 HD2 PRO 35 1HD PRO 35 11.690 14.823 -11.102 262 HD3 PRO 35 2HD PRO 35 12.045 14.678 -12.835 263 H ARG 36 H ARG 36 15.859 11.012 -11.013 264 HA ARG 36 HA ARG 36 15.134 10.622 -8.270 265 HB2 ARG 36 1HB ARG 36 16.349 9.023 -9.994 266 HB3 ARG 36 2HB ARG 36 17.793 9.777 -9.331 267 HG2 ARG 36 1HG ARG 36 16.907 9.136 -7.045 268 HG3 ARG 36 2HG ARG 36 15.733 8.132 -7.899 269 HD2 ARG 36 1HD ARG 36 18.680 7.915 -8.428 270 HD3 ARG 36 2HD ARG 36 17.910 7.031 -7.110 271 HE ARG 36 HE ARG 36 16.569 6.631 -9.595 272 HH11 ARG 36 2HH1 ARG 36 19.326 5.651 -7.708 273 HH12 ARG 36 1HH1 ARG 36 19.451 4.095 -8.459 274 HH21 ARG 36 2HH2 ARG 36 16.723 4.585 -10.591 275 HH22 ARG 36 1HH2 ARG 36 17.971 3.490 -10.099 276 H ASN 37 H ASN 37 15.338 12.497 -7.113 277 HA ASN 37 HA ASN 37 18.009 13.249 -6.351 278 HB2 ASN 37 1HB ASN 37 16.222 15.288 -7.698 279 HB3 ASN 37 2HB ASN 37 17.749 15.644 -6.895 280 HD21 ASN 37 1HD2 ASN 37 19.673 14.565 -7.761 281 HD22 ASN 37 2HD2 ASN 37 19.765 14.290 -9.464 282 HA PRO 38 HA PRO 38 15.650 13.697 -2.619 283 HB2 PRO 38 1HB PRO 38 17.709 14.511 -1.048 284 HB3 PRO 38 2HB PRO 38 17.487 12.830 -1.547 285 HG2 PRO 38 1HG PRO 38 19.303 14.920 -2.685 286 HG3 PRO 38 2HG PRO 38 19.636 13.211 -2.350 287 HD2 PRO 38 1HD PRO 38 19.071 14.124 -4.836 288 HD3 PRO 38 2HD PRO 38 18.609 12.500 -4.287 289 H GLY 39 H GLY 39 14.279 15.412 -2.802 290 HA2 GLY 39 1HA GLY 39 15.435 18.068 -2.240 291 HA3 GLY 39 2HA GLY 39 14.219 17.859 -3.492 292 H GLY 40 H GLY 40 12.176 16.673 -2.651 293 HA2 GLY 40 1HA GLY 40 11.344 18.125 -0.242 294 HA3 GLY 40 2HA GLY 40 10.273 17.436 -1.453 295 H ASN 41 H ASN 41 9.351 16.816 0.810 296 HA ASN 41 HA ASN 41 10.113 14.030 1.241 297 HB2 ASN 41 1HB ASN 41 11.356 15.209 2.960 298 HB3 ASN 41 2HB ASN 41 9.908 16.080 3.457 299 HD21 ASN 41 1HD2 ASN 41 9.593 15.374 5.467 300 HD22 ASN 41 2HD2 ASN 41 9.394 13.718 5.918 301 H LEU 42 H LEU 42 8.367 12.779 1.248 302 HA LEU 42 HA LEU 42 5.852 13.781 2.332 303 HB2 LEU 42 1HB LEU 42 6.365 13.113 -0.512 304 HB3 LEU 42 2HB LEU 42 4.831 12.592 0.181 305 HG LEU 42 HG LEU 42 5.739 15.451 0.339 306 HD11 LEU 42 1HD1 LEU 42 4.160 14.159 -1.881 307 HD12 LEU 42 2HD1 LEU 42 5.781 14.841 -2.013 308 HD13 LEU 42 3HD1 LEU 42 4.408 15.892 -1.667 309 HD21 LEU 42 1HD2 LEU 42 3.942 15.271 1.731 310 HD22 LEU 42 2HD2 LEU 42 3.241 13.921 0.839 311 HD23 LEU 42 3HD2 LEU 42 3.100 15.563 0.209 312 H SER 43 H SER 43 4.188 12.005 2.428 313 HA SER 43 HA SER 43 5.526 9.439 2.986 314 HB2 SER 43 1HB SER 43 2.972 10.433 4.262 315 HB3 SER 43 2HB SER 43 3.953 9.052 4.753 316 HG SER 43 HG SER 43 4.536 11.806 4.992 317 H TYR 44 H TYR 44 3.548 7.704 3.200 318 HA TYR 44 HA TYR 44 1.662 7.969 1.019 319 HB2 TYR 44 1HB TYR 44 3.629 5.683 0.941 320 HB3 TYR 44 2HB TYR 44 2.436 6.122 -0.276 321 HD1 TYR 44 2HD TYR 44 2.762 8.266 -1.571 322 HD2 TYR 44 1HD TYR 44 5.799 6.605 0.904 323 HE1 TYR 44 2HE TYR 44 4.448 9.621 -2.741 324 HE2 TYR 44 1HE TYR 44 7.493 7.957 -0.259 325 HH TYR 44 HH TYR 44 6.590 10.373 -2.653 326 H GLU 45 H GLU 45 -0.108 6.669 1.250 327 HA GLU 45 HA GLU 45 -0.218 5.099 3.722 328 HB2 GLU 45 1HB GLU 45 -1.898 7.006 2.970 329 HB3 GLU 45 2HB GLU 45 -2.646 5.681 2.089 330 HG2 GLU 45 1HG GLU 45 -3.807 5.530 4.026 331 HG3 GLU 45 2HG GLU 45 -2.449 4.483 4.434 332 H LEU 46 H LEU 46 -0.111 2.964 3.621 333 HA LEU 46 HA LEU 46 -0.735 1.639 1.071 334 HB2 LEU 46 1HB LEU 46 1.566 1.496 2.364 335 HB3 LEU 46 2HB LEU 46 0.711 0.247 3.266 336 HG LEU 46 HG LEU 46 2.128 -0.610 1.407 337 HD11 LEU 46 1HD1 LEU 46 -0.551 -1.368 0.515 338 HD12 LEU 46 2HD1 LEU 46 -0.320 -1.455 2.261 339 HD13 LEU 46 3HD1 LEU 46 0.748 -2.355 1.185 340 HD21 LEU 46 1HD2 LEU 46 1.947 0.103 -0.702 341 HD22 LEU 46 2HD2 LEU 46 1.056 1.470 -0.031 342 HD23 LEU 46 3HD2 LEU 46 0.184 0.070 -0.657 343 H HIS 47 H HIS 47 -2.375 0.238 0.944 344 HA HIS 47 HA HIS 47 -3.536 -0.804 3.436 345 HB2 HIS 47 1HB HIS 47 -4.810 1.178 2.402 346 HB3 HIS 47 2HB HIS 47 -5.255 0.058 1.119 347 HD1 HIS 47 1HD HIS 47 -7.469 1.238 2.803 348 HD2 HIS 47 2HD HIS 47 -5.541 -2.316 3.760 349 HE1 HIS 47 1HE HIS 47 -9.073 -0.022 4.274 350 HE2 HIS 47 2HE HIS 47 -7.851 -2.131 4.910 351 H VAL 48 H VAL 48 -3.240 -2.931 3.355 352 HA VAL 48 HA VAL 48 -3.425 -4.311 0.772 353 HB VAL 48 HB VAL 48 -2.365 -5.323 3.415 354 HG11 VAL 48 1HG1 VAL 48 -2.387 -7.362 2.538 355 HG12 VAL 48 2HG1 VAL 48 -3.217 -6.727 1.116 356 HG13 VAL 48 3HG1 VAL 48 -1.455 -6.799 1.151 357 HG21 VAL 48 1HG2 VAL 48 -1.007 -3.528 2.370 358 HG22 VAL 48 2HG2 VAL 48 -0.166 -5.076 2.464 359 HG23 VAL 48 3HG2 VAL 48 -0.848 -4.535 0.930 360 H LEU 49 H LEU 49 -4.894 -5.903 0.375 361 HA LEU 49 HA LEU 49 -6.783 -6.582 2.525 362 HB2 LEU 49 1HB LEU 49 -7.432 -5.803 -0.310 363 HB3 LEU 49 2HB LEU 49 -8.583 -6.575 0.778 364 HG LEU 49 HG LEU 49 -8.067 -4.535 2.322 365 HD11 LEU 49 1HD1 LEU 49 -7.119 -2.683 1.431 366 HD12 LEU 49 2HD1 LEU 49 -7.687 -3.038 -0.200 367 HD13 LEU 49 3HD1 LEU 49 -6.282 -3.884 0.447 368 HD21 LEU 49 1HD2 LEU 49 -9.782 -4.552 -0.142 369 HD22 LEU 49 2HD2 LEU 49 -9.807 -3.210 1.002 370 HD23 LEU 49 3HD2 LEU 49 -10.253 -4.832 1.534 371 H ASN 50 H ASN 50 -6.963 -8.698 2.817 372 HA ASN 50 HA ASN 50 -6.166 -10.487 0.617 373 HB2 ASN 50 1HB ASN 50 -4.912 -10.422 2.921 374 HB3 ASN 50 2HB ASN 50 -6.281 -11.382 3.475 375 HD21 ASN 50 1HD2 ASN 50 -4.914 -13.141 3.859 376 HD22 ASN 50 2HD2 ASN 50 -4.305 -14.113 2.567 377 H GLN 51 H GLN 51 -7.169 -12.831 1.221 378 HA GLN 51 HA GLN 51 -9.690 -12.985 0.352 379 HB2 GLN 51 1HB GLN 51 -8.181 -14.670 2.290 380 HB3 GLN 51 2HB GLN 51 -9.894 -15.000 2.073 381 HG2 GLN 51 1HG GLN 51 -8.495 -16.402 0.644 382 HG3 GLN 51 2HG GLN 51 -9.562 -15.357 -0.293 383 HE21 GLN 51 1HE2 GLN 51 -8.531 -14.881 -2.100 384 HE22 GLN 51 2HE2 GLN 51 -6.905 -14.309 -2.218 385 H ASP 52 H ASP 52 -9.075 -13.130 3.863 386 HA ASP 52 HA ASP 52 -11.538 -11.572 4.272 387 HB2 ASP 52 1HB ASP 52 -11.613 -13.095 6.466 388 HB3 ASP 52 2HB ASP 52 -12.390 -13.579 4.960 389 H GLU 53 H GLU 53 -8.351 -11.473 4.544 390 HA GLU 53 HA GLU 53 -8.405 -10.045 7.122 391 HB2 GLU 53 1HB GLU 53 -6.042 -11.415 5.826 392 HB3 GLU 53 2HB GLU 53 -6.033 -10.581 7.374 393 HG2 GLU 53 1HG GLU 53 -7.969 -12.796 7.009 394 HG3 GLU 53 2HG GLU 53 -6.263 -13.205 7.187 395 H GLU 54 H GLU 54 -8.292 -7.922 6.884 396 HA GLU 54 HA GLU 54 -6.703 -6.838 4.651 397 HB2 GLU 54 1HB GLU 54 -8.774 -6.148 3.979 398 HB3 GLU 54 2HB GLU 54 -9.427 -6.161 5.611 399 HG2 GLU 54 1HG GLU 54 -7.388 -4.112 4.966 400 HG3 GLU 54 2HG GLU 54 -8.996 -3.921 4.272 401 H TRP 55 H TRP 55 -5.003 -5.700 5.278 402 HA TRP 55 HA TRP 55 -5.158 -4.134 7.753 403 HB2 TRP 55 1HB TRP 55 -3.016 -4.909 8.526 404 HB3 TRP 55 2HB TRP 55 -4.025 -6.319 8.218 405 HD1 TRP 55 HD TRP 55 -1.006 -4.436 6.761 406 HE1 TRP 55 1HE TRP 55 0.290 -6.045 5.226 407 HE3 TRP 55 3HE TRP 55 -4.237 -8.397 6.825 408 HZ2 TRP 55 2HZ TRP 55 -0.018 -8.649 4.180 409 HZ3 TRP 55 3HZ TRP 55 -3.663 -10.409 5.530 410 HH2 TRP 55 HH TRP 55 -1.597 -10.530 4.235 411 H HIS 56 H HIS 56 -4.168 -2.181 7.662 412 HA HIS 56 HA HIS 56 -2.716 -1.544 5.178 413 HB2 HIS 56 1HB HIS 56 -3.502 0.862 5.764 414 HB3 HIS 56 2HB HIS 56 -4.655 -0.258 5.043 415 HD1 HIS 56 1HD HIS 56 -6.620 1.079 6.099 416 HD2 HIS 56 2HD HIS 56 -4.001 -0.597 8.855 417 HE1 HIS 56 1HE HIS 56 -7.797 1.220 8.316 418 HE2 HIS 56 2HE HIS 56 -6.159 0.278 9.982 419 H GLN 57 H GLN 57 -0.929 -0.142 5.304 420 HA GLN 57 HA GLN 57 0.046 0.596 7.950 421 HB2 GLN 57 1HB GLN 57 2.298 -0.382 7.418 422 HB3 GLN 57 2HB GLN 57 1.033 -1.564 7.727 423 HG2 GLN 57 1HG GLN 57 0.861 -2.139 5.462 424 HG3 GLN 57 2HG GLN 57 1.755 -0.710 4.947 425 HE21 GLN 57 1HE2 GLN 57 4.033 -0.598 5.725 426 HE22 GLN 57 2HE2 GLN 57 4.940 -2.068 5.747 427 H MET 58 H MET 58 0.701 2.633 7.862 428 HA MET 58 HA MET 58 1.102 3.964 5.357 429 HB2 MET 58 1HB MET 58 0.132 4.904 7.580 430 HB3 MET 58 2HB MET 58 1.817 5.152 8.019 431 HG2 MET 58 1HG MET 58 2.127 6.542 6.032 432 HG3 MET 58 2HG MET 58 0.435 6.301 5.606 433 HE1 MET 58 1HE MET 58 2.194 9.500 8.103 434 HE2 MET 58 2HE MET 58 3.008 8.208 7.220 435 HE3 MET 58 3HE MET 58 2.037 9.396 6.349 436 H VAL 59 H VAL 59 2.922 3.917 4.230 437 HA VAL 59 HA VAL 59 5.467 3.546 5.667 438 HB VAL 59 HB VAL 59 6.383 2.710 3.530 439 HG11 VAL 59 1HG1 VAL 59 3.984 1.024 3.946 440 HG12 VAL 59 2HG1 VAL 59 5.692 0.581 3.917 441 HG13 VAL 59 3HG1 VAL 59 5.000 1.339 5.352 442 HG21 VAL 59 1HG2 VAL 59 3.875 2.141 2.233 443 HG22 VAL 59 2HG2 VAL 59 4.091 3.879 2.440 444 HG23 VAL 59 3HG2 VAL 59 5.314 2.933 1.591 445 H LEU 60 H LEU 60 7.297 4.749 5.003 446 HA LEU 60 HA LEU 60 6.612 7.391 3.993 447 HB2 LEU 60 1HB LEU 60 9.249 6.388 5.047 448 HB3 LEU 60 2HB LEU 60 8.792 8.067 4.770 449 HG LEU 60 HG LEU 60 7.331 6.354 6.756 450 HD11 LEU 60 1HD1 LEU 60 9.569 8.169 7.550 451 HD12 LEU 60 2HD1 LEU 60 9.893 6.494 7.105 452 HD13 LEU 60 3HD1 LEU 60 8.817 6.856 8.454 453 HD21 LEU 60 1HD2 LEU 60 7.740 9.211 7.229 454 HD22 LEU 60 2HD2 LEU 60 6.269 8.242 7.325 455 HD23 LEU 60 3HD2 LEU 60 6.826 8.849 5.764 456 H GLU 61 H GLU 61 8.520 4.585 3.108 457 HA GLU 61 HA GLU 61 9.559 5.936 0.740 458 HB2 GLU 61 1HB GLU 61 10.823 3.827 0.388 459 HB3 GLU 61 2HB GLU 61 11.142 4.573 1.948 460 HG2 GLU 61 1HG GLU 61 9.551 2.994 2.985 461 HG3 GLU 61 2HG GLU 61 9.359 2.208 1.419 462 HA PRO 62 HA PRO 62 6.569 4.336 -2.048 463 HB2 PRO 62 1HB PRO 62 8.065 4.068 -4.297 464 HB3 PRO 62 2HB PRO 62 7.562 5.638 -3.659 465 HG2 PRO 62 1HG PRO 62 10.187 4.228 -3.367 466 HG3 PRO 62 2HG PRO 62 9.867 5.939 -3.705 467 HD2 PRO 62 1HD PRO 62 10.524 5.040 -1.237 468 HD3 PRO 62 2HD PRO 62 9.447 6.428 -1.492 469 H ARG 63 H ARG 63 8.953 2.471 -0.761 470 HA ARG 63 HA ARG 63 8.107 0.090 -2.279 471 HB2 ARG 63 1HB ARG 63 10.277 -0.922 -1.631 472 HB3 ARG 63 2HB ARG 63 10.458 0.502 -2.646 473 HG2 ARG 63 1HG ARG 63 10.918 1.838 -0.614 474 HG3 ARG 63 2HG ARG 63 10.854 0.351 0.333 475 HD2 ARG 63 1HD ARG 63 13.143 0.768 -0.103 476 HD3 ARG 63 2HD ARG 63 12.663 -0.548 -1.174 477 HE ARG 63 HE ARG 63 12.399 1.973 -2.457 478 HH11 ARG 63 2HH1 ARG 63 14.741 -0.411 -1.482 479 HH12 ARG 63 1HH1 ARG 63 15.878 0.010 -2.721 480 HH21 ARG 63 2HH2 ARG 63 13.886 2.536 -4.092 481 HH22 ARG 63 1HH2 ARG 63 15.391 1.686 -4.204 482 H VAL 64 H VAL 64 6.848 -1.232 -1.162 483 HA VAL 64 HA VAL 64 7.078 -1.256 1.776 484 HB VAL 64 HB VAL 64 4.902 -0.453 1.026 485 HG11 VAL 64 1HG1 VAL 64 4.433 -3.136 -0.248 486 HG12 VAL 64 2HG1 VAL 64 3.437 -1.683 -0.354 487 HG13 VAL 64 3HG1 VAL 64 5.005 -1.739 -1.159 488 HG21 VAL 64 1HG2 VAL 64 3.483 -2.040 2.244 489 HG22 VAL 64 2HG2 VAL 64 4.775 -3.239 2.180 490 HG23 VAL 64 3HG2 VAL 64 5.004 -1.745 3.088 491 H LEU 65 H LEU 65 7.601 -3.105 2.764 492 HA LEU 65 HA LEU 65 7.704 -5.552 1.130 493 HB2 LEU 65 1HB LEU 65 9.855 -4.543 2.036 494 HB3 LEU 65 2HB LEU 65 9.287 -5.030 3.631 495 HG LEU 65 HG LEU 65 10.755 -6.727 3.010 496 HD11 LEU 65 1HD1 LEU 65 9.377 -8.698 2.666 497 HD12 LEU 65 2HD1 LEU 65 8.033 -7.687 2.136 498 HD13 LEU 65 3HD1 LEU 65 8.603 -7.592 3.802 499 HD21 LEU 65 1HD2 LEU 65 9.572 -6.425 0.271 500 HD22 LEU 65 2HD2 LEU 65 10.472 -7.871 0.728 501 HD23 LEU 65 3HD2 LEU 65 11.257 -6.292 0.774 502 H LEU 66 H LEU 66 6.017 -6.814 1.564 503 HA LEU 66 HA LEU 66 4.915 -6.886 4.271 504 HB2 LEU 66 1HB LEU 66 3.877 -8.171 1.750 505 HB3 LEU 66 2HB LEU 66 3.031 -8.048 3.291 506 HG LEU 66 HG LEU 66 3.863 -5.543 1.903 507 HD11 LEU 66 1HD1 LEU 66 1.236 -6.075 1.101 508 HD12 LEU 66 2HD1 LEU 66 2.157 -7.532 0.730 509 HD13 LEU 66 3HD1 LEU 66 2.673 -5.975 0.083 510 HD21 LEU 66 1HD2 LEU 66 1.894 -4.664 2.979 511 HD22 LEU 66 2HD2 LEU 66 2.871 -5.526 4.169 512 HD23 LEU 66 3HD2 LEU 66 1.418 -6.279 3.507 513 H THR 67 H THR 67 4.819 -8.719 5.516 514 HA THR 67 HA THR 67 6.152 -11.126 4.473 515 HB THR 67 HB THR 67 7.374 -11.450 6.514 516 HG1 THR 67 1HG THR 67 5.837 -10.522 7.956 517 HG21 THR 67 1HG2 THR 67 7.649 -8.617 5.508 518 HG22 THR 67 2HG2 THR 67 8.501 -10.042 4.912 519 HG23 THR 67 3HG2 THR 67 8.828 -9.432 6.534 520 H LYS 68 H LYS 68 5.930 -12.860 6.447 521 HA LYS 68 HA LYS 68 4.470 -14.373 7.330 522 HB2 LYS 68 1HB LYS 68 3.418 -11.749 8.363 523 HB3 LYS 68 2HB LYS 68 2.670 -13.276 8.814 524 HG2 LYS 68 1HG LYS 68 4.922 -14.025 9.629 525 HG3 LYS 68 2HG LYS 68 5.480 -12.369 9.377 526 HD2 LYS 68 1HD LYS 68 3.893 -11.529 10.969 527 HD3 LYS 68 2HD LYS 68 3.129 -13.114 11.113 528 HE2 LYS 68 1HE LYS 68 4.456 -13.159 12.969 529 HE3 LYS 68 2HE LYS 68 5.578 -13.837 11.791 530 HZ1 LYS 68 1HZ LYS 68 6.602 -11.695 11.534 531 HZ2 LYS 68 2HZ LYS 68 6.578 -12.092 13.177 532 HZ3 LYS 68 3HZ LYS 68 5.470 -10.971 12.562 533 H LEU 69 H LEU 69 3.956 -13.895 4.669 534 HA LEU 69 HA LEU 69 1.032 -13.704 4.481 535 HB2 LEU 69 1HB LEU 69 3.040 -13.712 2.237 536 HB3 LEU 69 2HB LEU 69 1.325 -13.322 2.130 537 HG LEU 69 HG LEU 69 3.322 -11.676 3.674 538 HD11 LEU 69 1HD1 LEU 69 2.633 -11.724 0.806 539 HD12 LEU 69 2HD1 LEU 69 4.106 -11.188 1.614 540 HD13 LEU 69 3HD1 LEU 69 2.691 -10.136 1.573 541 HD21 LEU 69 1HD2 LEU 69 1.586 -10.458 4.338 542 HD22 LEU 69 2HD2 LEU 69 0.536 -11.727 3.708 543 HD23 LEU 69 3HD2 LEU 69 0.958 -10.347 2.694 544 H GLN 70 H GLN 70 0.141 -15.150 2.626 545 HA GLN 70 HA GLN 70 1.128 -17.875 3.124 546 HB2 GLN 70 1HB GLN 70 -1.606 -16.824 2.411 547 HB3 GLN 70 2HB GLN 70 -1.197 -18.531 2.311 548 HG2 GLN 70 1HG GLN 70 -0.752 -17.010 4.844 549 HG3 GLN 70 2HG GLN 70 -2.350 -17.630 4.432 550 HE21 GLN 70 1HE2 GLN 70 -2.663 -19.870 4.294 551 HE22 GLN 70 2HE2 GLN 70 -1.575 -20.982 5.046 552 HA PRO 71 HA PRO 71 2.356 -18.246 -1.086 553 HB2 PRO 71 1HB PRO 71 2.275 -20.949 -1.319 554 HB3 PRO 71 2HB PRO 71 3.538 -20.100 -0.420 555 HG2 PRO 71 1HG PRO 71 1.077 -21.464 0.602 556 HG3 PRO 71 2HG PRO 71 2.728 -21.504 1.248 557 HD2 PRO 71 1HD PRO 71 0.788 -19.936 2.303 558 HD3 PRO 71 2HD PRO 71 2.500 -19.466 2.300 559 H ASP 72 H ASP 72 1.542 -18.693 -3.150 560 HA ASP 72 HA ASP 72 -0.129 -18.674 -4.710 561 HB2 ASP 72 1HB ASP 72 0.132 -21.048 -4.562 562 HB3 ASP 72 2HB ASP 72 -0.814 -21.121 -3.078 563 H THR 73 H THR 73 -0.708 -16.726 -3.051 564 HA THR 73 HA THR 73 -3.619 -16.893 -2.778 565 HB THR 73 HB THR 73 -1.804 -15.826 -0.606 566 HG1 THR 73 1HG THR 73 -3.674 -17.883 -0.217 567 HG21 THR 73 1HG2 THR 73 -4.749 -16.157 -0.285 568 HG22 THR 73 2HG2 THR 73 -4.148 -14.743 -1.151 569 HG23 THR 73 3HG2 THR 73 -3.646 -15.037 0.514 570 H THR 74 H THR 74 -4.655 -15.113 -3.468 571 HA THR 74 HA THR 74 -3.139 -13.023 -4.714 572 HB THR 74 HB THR 74 -6.130 -13.196 -4.298 573 HG1 THR 74 1HG THR 74 -4.402 -14.472 -6.028 574 HG21 THR 74 1HG2 THR 74 -4.894 -10.968 -4.953 575 HG22 THR 74 2HG2 THR 74 -6.377 -11.449 -5.777 576 HG23 THR 74 3HG2 THR 74 -4.813 -11.732 -6.540 577 H TYR 75 H TYR 75 -2.579 -11.104 -3.907 578 HA TYR 75 HA TYR 75 -3.914 -10.174 -1.452 579 HB2 TYR 75 1HB TYR 75 -0.974 -10.227 -2.108 580 HB3 TYR 75 2HB TYR 75 -1.633 -9.156 -0.876 581 HD1 TYR 75 2HD TYR 75 -2.764 -10.147 1.127 582 HD2 TYR 75 1HD TYR 75 -0.617 -12.529 -1.669 583 HE1 TYR 75 2HE TYR 75 -2.639 -11.964 2.780 584 HE2 TYR 75 1HE TYR 75 -0.486 -14.353 -0.024 585 HH TYR 75 HH TYR 75 -2.191 -14.186 3.043 586 H ILE 76 H ILE 76 -5.014 -8.394 -1.910 587 HA ILE 76 HA ILE 76 -4.324 -6.717 -4.149 588 HB ILE 76 HB ILE 76 -6.413 -6.130 -2.059 589 HG12 ILE 76 1HG1 ILE 76 -6.591 -8.460 -3.071 590 HG13 ILE 76 2HG1 ILE 76 -7.999 -7.421 -3.264 591 HG21 ILE 76 1HG2 ILE 76 -6.189 -4.250 -3.393 592 HG22 ILE 76 2HG2 ILE 76 -5.854 -5.194 -4.843 593 HG23 ILE 76 3HG2 ILE 76 -7.491 -5.130 -4.192 594 HD11 ILE 76 1HD1 ILE 76 -6.741 -8.830 -5.250 595 HD12 ILE 76 2HD1 ILE 76 -7.860 -7.486 -5.480 596 HD13 ILE 76 3HD1 ILE 76 -6.121 -7.194 -5.468 597 H VAL 77 H VAL 77 -3.276 -4.818 -4.127 598 HA VAL 77 HA VAL 77 -2.700 -3.565 -1.528 599 HB VAL 77 HB VAL 77 -0.702 -3.906 -3.769 600 HG11 VAL 77 1HG1 VAL 77 -0.840 -1.939 -1.805 601 HG12 VAL 77 2HG1 VAL 77 0.352 -3.094 -1.204 602 HG13 VAL 77 3HG1 VAL 77 0.561 -2.355 -2.792 603 HG21 VAL 77 1HG2 VAL 77 0.434 -5.137 -1.684 604 HG22 VAL 77 2HG2 VAL 77 -1.261 -5.448 -1.305 605 HG23 VAL 77 3HG2 VAL 77 -0.592 -5.977 -2.848 606 H ARG 78 H ARG 78 -2.733 -1.360 -1.483 607 HA ARG 78 HA ARG 78 -2.894 0.131 -3.980 608 HB2 ARG 78 1HB ARG 78 -4.948 1.325 -3.192 609 HB3 ARG 78 2HB ARG 78 -5.210 -0.361 -3.619 610 HG2 ARG 78 1HG ARG 78 -5.192 -0.980 -1.270 611 HG3 ARG 78 2HG ARG 78 -4.874 0.697 -0.820 612 HD2 ARG 78 1HD ARG 78 -7.001 1.395 -1.671 613 HD3 ARG 78 2HD ARG 78 -7.300 -0.197 -2.367 614 HE ARG 78 HE ARG 78 -7.036 -0.786 0.226 615 HH11 ARG 78 2HH1 ARG 78 -8.869 1.688 -1.398 616 HH12 ARG 78 1HH1 ARG 78 -10.117 1.736 -0.196 617 HH21 ARG 78 2HH2 ARG 78 -8.672 -0.733 1.815 618 HH22 ARG 78 1HH2 ARG 78 -10.003 0.359 1.631 619 H VAL 79 H VAL 79 -1.603 1.830 -3.800 620 HA VAL 79 HA VAL 79 -1.152 2.979 -1.122 621 HB VAL 79 HB VAL 79 0.812 1.867 -2.349 622 HG11 VAL 79 1HG1 VAL 79 1.637 2.723 -4.255 623 HG12 VAL 79 2HG1 VAL 79 0.024 3.416 -4.437 624 HG13 VAL 79 3HG1 VAL 79 1.331 4.387 -3.759 625 HG21 VAL 79 1HG2 VAL 79 2.033 3.020 -0.893 626 HG22 VAL 79 2HG2 VAL 79 1.847 4.502 -1.830 627 HG23 VAL 79 3HG2 VAL 79 0.637 4.063 -0.625 628 H ARG 80 H ARG 80 -0.806 5.273 -0.997 629 HA ARG 80 HA ARG 80 -1.548 6.886 -3.295 630 HB2 ARG 80 1HB ARG 80 -3.422 7.957 -2.273 631 HB3 ARG 80 2HB ARG 80 -3.693 6.222 -2.171 632 HG2 ARG 80 1HG ARG 80 -4.273 6.811 -0.059 633 HG3 ARG 80 2HG ARG 80 -2.545 6.548 0.189 634 HD2 ARG 80 1HD ARG 80 -2.748 8.595 1.167 635 HD3 ARG 80 2HD ARG 80 -2.433 9.103 -0.492 636 HE ARG 80 HE ARG 80 -4.533 9.989 -0.564 637 HH11 ARG 80 2HH1 ARG 80 -4.386 7.676 2.034 638 HH12 ARG 80 1HH1 ARG 80 -5.973 8.043 2.624 639 HH21 ARG 80 2HH2 ARG 80 -6.624 10.480 0.203 640 HH22 ARG 80 1HH2 ARG 80 -7.246 9.637 1.582 641 H THR 81 H THR 81 -0.867 9.015 -3.154 642 HA THR 81 HA THR 81 1.227 9.510 -1.245 643 HB THR 81 HB THR 81 0.113 11.403 -3.323 644 HG1 THR 81 1HG THR 81 1.101 10.178 -4.726 645 HG21 THR 81 1HG2 THR 81 2.301 12.485 -3.156 646 HG22 THR 81 2HG2 THR 81 2.783 11.332 -1.911 647 HG23 THR 81 3HG2 THR 81 1.481 12.479 -1.595 648 H LEU 82 H LEU 82 1.308 11.115 0.320 649 HA LEU 82 HA LEU 82 -1.306 11.996 1.291 650 HB2 LEU 82 1HB LEU 82 1.350 11.509 2.512 651 HB3 LEU 82 2HB LEU 82 0.349 12.764 3.239 652 HG LEU 82 HG LEU 82 -0.100 10.847 4.495 653 HD11 LEU 82 1HD1 LEU 82 -2.357 10.376 2.679 654 HD12 LEU 82 2HD1 LEU 82 -2.096 12.062 3.124 655 HD13 LEU 82 3HD1 LEU 82 -2.341 10.848 4.379 656 HD21 LEU 82 1HD2 LEU 82 0.172 9.455 1.893 657 HD22 LEU 82 2HD2 LEU 82 -0.932 8.752 3.075 658 HD23 LEU 82 3HD2 LEU 82 0.764 9.002 3.492 659 H THR 83 H THR 83 -1.874 14.107 1.541 660 HA THR 83 HA THR 83 0.097 16.161 0.808 661 HB THR 83 HB THR 83 -1.294 17.231 -0.725 662 HG1 THR 83 1HG THR 83 -3.324 15.940 0.682 663 HG21 THR 83 1HG2 THR 83 -0.769 14.505 -1.094 664 HG22 THR 83 2HG2 THR 83 -1.120 15.703 -2.340 665 HG23 THR 83 3HG2 THR 83 -2.427 14.745 -1.644 666 HA PRO 84 HA PRO 84 -1.400 18.362 4.303 667 HB2 PRO 84 1HB PRO 84 -0.941 20.920 3.519 668 HB3 PRO 84 2HB PRO 84 0.354 19.810 3.981 669 HG2 PRO 84 1HG PRO 84 -0.604 20.571 1.249 670 HG3 PRO 84 2HG PRO 84 1.057 20.385 1.841 671 HD2 PRO 84 1HD PRO 84 -0.194 18.473 0.388 672 HD3 PRO 84 2HD PRO 84 1.007 18.090 1.638 673 H LEU 85 H LEU 85 -2.534 19.483 1.137 674 HA LEU 85 HA LEU 85 -5.129 20.115 2.379 675 HB2 LEU 85 1HB LEU 85 -5.228 21.723 0.278 676 HB3 LEU 85 2HB LEU 85 -4.539 22.227 1.819 677 HG LEU 85 HG LEU 85 -2.287 21.769 0.943 678 HD11 LEU 85 1HD1 LEU 85 -3.727 21.194 -1.642 679 HD12 LEU 85 2HD1 LEU 85 -2.849 20.025 -0.656 680 HD13 LEU 85 3HD1 LEU 85 -1.981 21.341 -1.446 681 HD21 LEU 85 1HD2 LEU 85 -3.881 23.925 0.441 682 HD22 LEU 85 2HD2 LEU 85 -3.322 23.501 -1.177 683 HD23 LEU 85 3HD2 LEU 85 -2.153 23.840 0.100 684 H GLY 86 H GLY 86 -6.085 18.166 1.853 685 HA2 GLY 86 1HA GLY 86 -7.476 16.925 0.471 686 HA3 GLY 86 2HA GLY 86 -6.989 17.940 -0.878 687 HA PRO 87 HA PRO 87 -3.825 14.274 -0.300 688 HB2 PRO 87 1HB PRO 87 -4.973 12.038 0.728 689 HB3 PRO 87 2HB PRO 87 -4.163 13.250 1.729 690 HG2 PRO 87 1HG PRO 87 -7.086 12.875 1.200 691 HG3 PRO 87 2HG PRO 87 -6.263 13.234 2.729 692 HD2 PRO 87 1HD PRO 87 -7.513 15.138 1.266 693 HD3 PRO 87 2HD PRO 87 -6.071 15.479 2.244 694 H GLY 88 H GLY 88 -3.503 12.657 -1.846 695 HA2 GLY 88 1HA GLY 88 -5.346 12.615 -4.001 696 HA3 GLY 88 2HA GLY 88 -3.903 11.623 -3.859 697 HA PRO 89 HA PRO 89 -7.967 9.201 -3.183 698 HB2 PRO 89 1HB PRO 89 -8.213 8.079 -5.643 699 HB3 PRO 89 2HB PRO 89 -8.968 9.617 -5.209 700 HG2 PRO 89 1HG PRO 89 -6.431 9.111 -6.716 701 HG3 PRO 89 2HG PRO 89 -7.717 10.286 -7.051 702 HD2 PRO 89 1HD PRO 89 -5.396 10.973 -5.838 703 HD3 PRO 89 2HD PRO 89 -6.936 11.779 -5.478 704 H PHE 90 H PHE 90 -8.157 6.827 -3.304 705 HA PHE 90 HA PHE 90 -5.564 5.595 -2.902 706 HB2 PHE 90 1HB PHE 90 -8.382 4.910 -2.252 707 HB3 PHE 90 2HB PHE 90 -7.264 3.567 -2.469 708 HD1 PHE 90 2HD PHE 90 -5.061 3.675 -1.122 709 HD2 PHE 90 1HD PHE 90 -8.521 5.980 -0.211 710 HE1 PHE 90 2HE PHE 90 -4.244 3.984 1.178 711 HE2 PHE 90 1HE PHE 90 -7.709 6.294 2.091 712 HZ PHE 90 HZ PHE 90 -5.569 5.294 2.788 713 H SER 91 H SER 91 -4.523 4.410 -4.357 714 HA SER 91 HA SER 91 -5.206 4.165 -6.999 715 HB2 SER 91 1HB SER 91 -3.490 2.463 -7.186 716 HB3 SER 91 2HB SER 91 -2.955 3.687 -6.035 717 HG SER 91 HG SER 91 -4.159 1.207 -5.355 718 HA PRO 92 HA PRO 92 -8.324 1.099 -7.381 719 HB2 PRO 92 1HB PRO 92 -7.685 0.012 -9.786 720 HB3 PRO 92 2HB PRO 92 -8.391 1.624 -9.617 721 HG2 PRO 92 1HG PRO 92 -5.530 0.842 -10.021 722 HG3 PRO 92 2HG PRO 92 -6.450 2.152 -10.784 723 HD2 PRO 92 1HD PRO 92 -4.745 2.578 -8.724 724 HD3 PRO 92 2HD PRO 92 -6.212 3.548 -8.965 725 H ASP 93 H ASP 93 -8.643 -0.937 -6.692 726 HA ASP 93 HA ASP 93 -6.806 -2.515 -5.501 727 HB2 ASP 93 1HB ASP 93 -9.209 -3.487 -7.063 728 HB3 ASP 93 2HB ASP 93 -8.329 -4.435 -5.868 729 H HIS 94 H HIS 94 -5.024 -3.521 -6.127 730 HA HIS 94 HA HIS 94 -4.710 -4.207 -8.966 731 HB2 HIS 94 1HB HIS 94 -2.773 -3.522 -6.783 732 HB3 HIS 94 2HB HIS 94 -2.230 -4.464 -8.168 733 HD1 HIS 94 1HD HIS 94 -3.820 -1.110 -7.397 734 HD2 HIS 94 2HD HIS 94 -1.603 -2.984 -10.370 735 HE1 HIS 94 1HE HIS 94 -3.242 0.699 -9.046 736 HE2 HIS 94 2HE HIS 94 -1.974 -0.475 -10.879 737 H GLU 95 H GLU 95 -5.319 -6.242 -9.348 738 HA GLU 95 HA GLU 95 -5.253 -8.310 -7.402 739 HB2 GLU 95 1HB GLU 95 -6.709 -8.053 -9.560 740 HB3 GLU 95 2HB GLU 95 -5.361 -8.863 -10.345 741 HG2 GLU 95 1HG GLU 95 -5.623 -10.794 -8.976 742 HG3 GLU 95 2HG GLU 95 -6.800 -9.975 -7.952 743 H PHE 96 H PHE 96 -3.374 -9.025 -6.620 744 HA PHE 96 HA PHE 96 -1.229 -9.660 -8.538 745 HB2 PHE 96 1HB PHE 96 -1.065 -8.702 -5.681 746 HB3 PHE 96 2HB PHE 96 0.306 -9.414 -6.524 747 HD1 PHE 96 1HD PHE 96 0.552 -8.325 -9.027 748 HD2 PHE 96 2HD PHE 96 -1.033 -6.423 -5.564 749 HE1 PHE 96 1HE PHE 96 1.105 -6.127 -9.985 750 HE2 PHE 96 2HE PHE 96 -0.483 -4.223 -6.517 751 HZ PHE 96 HZ PHE 96 0.587 -4.072 -8.730 752 H ARG 97 H ARG 97 0.203 -11.459 -7.850 753 HA ARG 97 HA ARG 97 -1.153 -13.445 -6.168 754 HB2 ARG 97 1HB ARG 97 -1.666 -13.850 -8.593 755 HB3 ARG 97 2HB ARG 97 0.054 -14.100 -8.858 756 HG2 ARG 97 1HG ARG 97 0.015 -15.984 -7.295 757 HG3 ARG 97 2HG ARG 97 -1.716 -15.738 -7.054 758 HD2 ARG 97 1HD ARG 97 -2.197 -16.307 -9.308 759 HD3 ARG 97 2HD ARG 97 -0.492 -16.249 -9.755 760 HE ARG 97 HE ARG 97 -0.841 -18.185 -7.755 761 HH11 ARG 97 2HH1 ARG 97 -1.637 -17.618 -11.096 762 HH12 ARG 97 1HH1 ARG 97 -1.666 -19.300 -11.511 763 HH21 ARG 97 2HH2 ARG 97 -0.875 -20.403 -8.288 764 HH22 ARG 97 1HH2 ARG 97 -1.233 -20.883 -9.912 765 H THR 98 H THR 98 0.175 -14.535 -4.842 766 HA THR 98 HA THR 98 2.973 -13.814 -4.809 767 HB THR 98 HB THR 98 3.015 -15.321 -2.759 768 HG1 THR 98 1HG THR 98 1.229 -16.336 -2.208 769 HG21 THR 98 1HG2 THR 98 1.680 -13.694 -1.385 770 HG22 THR 98 2HG2 THR 98 1.162 -12.946 -2.897 771 HG23 THR 98 3HG2 THR 98 2.869 -12.956 -2.457 772 H SER 99 H SER 99 4.707 -15.345 -4.754 773 HA SER 99 HA SER 99 4.769 -17.151 -6.831 774 HB2 SER 99 1HB SER 99 6.669 -16.177 -5.267 775 HB3 SER 99 2HB SER 99 6.457 -17.714 -4.428 776 HG SER 99 HG SER 99 7.349 -17.215 -7.042 777 HA PRO 100 HA PRO 100 2.529 -20.689 -5.476 778 HB2 PRO 100 1HB PRO 100 3.663 -22.556 -7.088 779 HB3 PRO 100 2HB PRO 100 2.524 -21.341 -7.679 780 HG2 PRO 100 1HG PRO 100 5.514 -21.359 -7.817 781 HG3 PRO 100 2HG PRO 100 4.340 -20.902 -9.064 782 HD2 PRO 100 1HD PRO 100 5.661 -19.073 -7.567 783 HD3 PRO 100 2HD PRO 100 4.011 -18.805 -8.164 784 HA PRO 101 HA PRO 101 5.019 -22.654 -2.404 785 HB2 PRO 101 1HB PRO 101 3.413 -24.775 -1.863 786 HB3 PRO 101 2HB PRO 101 3.045 -23.131 -1.329 787 HG2 PRO 101 1HG PRO 101 1.976 -24.641 -3.682 788 HG3 PRO 101 2HG PRO 101 1.111 -23.610 -2.528 789 HD2 PRO 101 1HD PRO 101 1.840 -22.749 -4.989 790 HD3 PRO 101 2HD PRO 101 1.762 -21.667 -3.584 791 H SER 102 H SER 102 4.166 -24.139 -5.387 792 HA SER 102 HA SER 102 6.261 -26.172 -4.976 793 HB2 SER 102 1HB SER 102 4.175 -27.342 -5.118 794 HB3 SER 102 2HB SER 102 3.666 -26.390 -6.512 795 HG SER 102 HG SER 102 6.023 -27.908 -6.654 796 H GLY 103 H GLY 103 4.457 -24.621 -7.643 797 HA2 GLY 103 1HA GLY 103 6.079 -24.945 -9.749 798 HA3 GLY 103 2HA GLY 103 5.296 -23.403 -9.436 799 HA PRO 104 HA PRO 104 10.075 -23.275 -9.069 800 HB2 PRO 104 1HB PRO 104 10.711 -22.418 -11.565 801 HB3 PRO 104 2HB PRO 104 10.649 -24.128 -11.123 802 HG2 PRO 104 1HG PRO 104 8.602 -22.460 -12.534 803 HG3 PRO 104 2HG PRO 104 9.140 -24.111 -12.893 804 HD2 PRO 104 1HD PRO 104 6.840 -23.585 -11.565 805 HD3 PRO 104 2HD PRO 104 7.814 -25.035 -11.250 806 H SER 105 H SER 105 11.382 -21.292 -9.248 807 HA SER 105 HA SER 105 9.737 -18.960 -8.755 808 HB2 SER 105 1HB SER 105 11.714 -17.935 -7.892 809 HB3 SER 105 2HB SER 105 11.745 -19.611 -7.346 810 HG SER 105 HG SER 105 13.695 -19.484 -8.180 811 H SER 106 H SER 106 9.784 -17.042 -9.902 812 HA SER 106 HA SER 106 10.176 -17.255 -12.697 813 HB2 SER 106 1HB SER 106 9.742 -14.802 -10.975 814 HB3 SER 106 2HB SER 106 9.638 -14.834 -12.735 815 HG SER 106 HG SER 106 7.596 -15.059 -11.599 816 H GLY 107 H GLY 107 12.088 -17.324 -13.669 817 HA2 GLY 107 1HA GLY 107 13.924 -15.347 -13.872 818 HA3 GLY 107 2HA GLY 107 14.446 -16.204 -12.429 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -24.212 -15.004 -12.788 2 HA2 GLY 1 1HA GLY 1 -24.038 -13.104 -11.503 3 HA3 GLY 1 2HA GLY 1 -23.795 -14.235 -10.180 4 H SER 2 H SER 2 -22.278 -12.053 -12.408 5 HA SER 2 HA SER 2 -19.959 -11.880 -10.698 6 HB2 SER 2 1HB SER 2 -19.586 -12.681 -13.594 7 HB3 SER 2 2HB SER 2 -18.311 -12.392 -12.409 8 HG SER 2 HG SER 2 -18.547 -14.531 -12.316 9 H SER 3 H SER 3 -18.651 -10.035 -11.139 10 HA SER 3 HA SER 3 -19.193 -8.246 -13.276 11 HB2 SER 3 1HB SER 3 -20.341 -6.483 -12.134 12 HB3 SER 3 2HB SER 3 -21.254 -7.962 -11.834 13 HG SER 3 HG SER 3 -20.362 -8.070 -9.789 14 H GLY 4 H GLY 4 -18.065 -6.114 -12.943 15 HA2 GLY 4 1HA GLY 4 -16.328 -5.505 -10.896 16 HA3 GLY 4 2HA GLY 4 -15.440 -6.615 -11.929 17 H SER 5 H SER 5 -14.936 -3.786 -11.342 18 HA SER 5 HA SER 5 -15.389 -2.554 -13.966 19 HB2 SER 5 1HB SER 5 -14.464 -1.345 -11.349 20 HB3 SER 5 2HB SER 5 -14.665 -0.448 -12.854 21 HG SER 5 HG SER 5 -16.495 -0.928 -11.051 22 H SER 6 H SER 6 -13.698 -1.727 -15.199 23 HA SER 6 HA SER 6 -11.021 -2.711 -14.452 24 HB2 SER 6 1HB SER 6 -10.555 -2.994 -16.838 25 HB3 SER 6 2HB SER 6 -11.989 -3.914 -16.382 26 HG SER 6 HG SER 6 -11.756 -1.644 -17.982 27 H GLY 7 H GLY 7 -9.227 -1.488 -15.589 28 HA2 GLY 7 1HA GLY 7 -8.654 0.650 -16.685 29 HA3 GLY 7 2HA GLY 7 -9.901 1.388 -15.691 30 H ALA 8 H ALA 8 -6.836 -0.394 -15.459 31 HA ALA 8 HA ALA 8 -6.352 0.675 -12.803 32 HB1 ALA 8 1HB ALA 8 -4.833 -0.973 -12.547 33 HB2 ALA 8 2HB ALA 8 -5.696 -1.688 -13.910 34 HB3 ALA 8 3HB ALA 8 -4.201 -0.793 -14.185 35 H GLU 9 H GLU 9 -6.556 2.698 -14.686 36 HA GLU 9 HA GLU 9 -4.015 3.497 -15.697 37 HB2 GLU 9 1HB GLU 9 -5.994 4.327 -16.772 38 HB3 GLU 9 2HB GLU 9 -6.590 5.010 -15.266 39 HG2 GLU 9 1HG GLU 9 -4.318 6.354 -15.400 40 HG3 GLU 9 2HG GLU 9 -4.512 6.022 -17.120 41 H SER 10 H SER 10 -2.416 4.597 -14.750 42 HA SER 10 HA SER 10 -2.393 4.992 -11.949 43 HB2 SER 10 1HB SER 10 -0.532 5.725 -14.188 44 HB3 SER 10 2HB SER 10 -0.244 6.344 -12.562 45 HG SER 10 HG SER 10 0.293 4.401 -11.903 46 H LEU 11 H LEU 11 -2.848 6.720 -10.719 47 HA LEU 11 HA LEU 11 -4.262 8.918 -11.876 48 HB2 LEU 11 1HB LEU 11 -3.917 9.729 -9.359 49 HB3 LEU 11 2HB LEU 11 -5.138 8.549 -9.832 50 HG LEU 11 HG LEU 11 -2.464 7.546 -8.995 51 HD11 LEU 11 1HD1 LEU 11 -3.270 9.353 -7.365 52 HD12 LEU 11 2HD1 LEU 11 -2.854 7.770 -6.709 53 HD13 LEU 11 3HD1 LEU 11 -4.545 8.210 -6.943 54 HD21 LEU 11 1HD2 LEU 11 -4.901 6.417 -9.678 55 HD22 LEU 11 2HD2 LEU 11 -4.845 6.295 -7.920 56 HD23 LEU 11 3HD2 LEU 11 -3.547 5.604 -8.893 57 H SER 12 H SER 12 -1.419 8.943 -9.721 58 HA SER 12 HA SER 12 -0.403 11.244 -11.259 59 HB2 SER 12 1HB SER 12 -1.181 11.900 -9.006 60 HB3 SER 12 2HB SER 12 -0.069 10.732 -8.292 61 HG SER 12 HG SER 12 0.823 12.833 -8.328 62 H GLY 13 H GLY 13 0.194 8.540 -11.863 63 HA2 GLY 13 1HA GLY 13 2.091 7.410 -12.546 64 HA3 GLY 13 2HA GLY 13 3.061 8.680 -11.815 65 H LEU 14 H LEU 14 0.703 6.361 -10.488 66 HA LEU 14 HA LEU 14 2.823 5.396 -8.685 67 HB2 LEU 14 1HB LEU 14 -0.031 6.098 -8.091 68 HB3 LEU 14 2HB LEU 14 0.869 4.978 -7.070 69 HG LEU 14 HG LEU 14 1.682 7.833 -7.611 70 HD11 LEU 14 1HD1 LEU 14 -0.105 8.243 -6.286 71 HD12 LEU 14 2HD1 LEU 14 1.042 7.813 -5.018 72 HD13 LEU 14 3HD1 LEU 14 -0.115 6.617 -5.602 73 HD21 LEU 14 1HD2 LEU 14 3.548 6.370 -7.067 74 HD22 LEU 14 2HD2 LEU 14 2.693 5.785 -5.639 75 HD23 LEU 14 3HD2 LEU 14 3.209 7.470 -5.730 76 H SER 15 H SER 15 2.728 3.988 -10.837 77 HA SER 15 HA SER 15 0.698 1.959 -10.867 78 HB2 SER 15 1HB SER 15 2.078 2.839 -12.864 79 HB3 SER 15 2HB SER 15 3.349 1.761 -12.285 80 HG SER 15 HG SER 15 0.796 0.685 -12.549 81 H LEU 16 H LEU 16 0.609 0.404 -9.396 82 HA LEU 16 HA LEU 16 2.740 -0.305 -7.689 83 HB2 LEU 16 1HB LEU 16 0.106 -1.602 -8.324 84 HB3 LEU 16 2HB LEU 16 1.240 -2.300 -7.169 85 HG LEU 16 HG LEU 16 0.178 0.496 -6.868 86 HD11 LEU 16 1HD1 LEU 16 -1.377 -1.828 -6.785 87 HD12 LEU 16 2HD1 LEU 16 -1.805 -0.225 -6.188 88 HD13 LEU 16 3HD1 LEU 16 -1.062 -1.400 -5.104 89 HD21 LEU 16 1HD2 LEU 16 0.846 0.237 -4.584 90 HD22 LEU 16 2HD2 LEU 16 2.208 -0.215 -5.609 91 HD23 LEU 16 3HD2 LEU 16 1.232 -1.465 -4.836 92 H LYS 17 H LYS 17 4.561 -1.044 -8.654 93 HA LYS 17 HA LYS 17 4.395 -3.128 -10.681 94 HB2 LYS 17 1HB LYS 17 5.984 -1.413 -11.155 95 HB3 LYS 17 2HB LYS 17 6.688 -1.529 -9.547 96 HG2 LYS 17 1HG LYS 17 8.248 -2.635 -10.809 97 HG3 LYS 17 2HG LYS 17 7.233 -3.974 -10.269 98 HD2 LYS 17 1HD LYS 17 6.316 -4.295 -12.346 99 HD3 LYS 17 2HD LYS 17 6.545 -2.612 -12.826 100 HE2 LYS 17 1HE LYS 17 9.007 -3.060 -12.897 101 HE3 LYS 17 2HE LYS 17 8.645 -4.766 -12.635 102 HZ1 LYS 17 1HZ LYS 17 7.133 -3.611 -14.783 103 HZ2 LYS 17 2HZ LYS 17 8.059 -5.026 -14.753 104 HZ3 LYS 17 3HZ LYS 17 8.803 -3.536 -15.047 105 H LEU 18 H LEU 18 4.950 -5.225 -10.393 106 HA LEU 18 HA LEU 18 5.372 -6.105 -7.643 107 HB2 LEU 18 1HB LEU 18 3.609 -7.218 -8.802 108 HB3 LEU 18 2HB LEU 18 4.658 -7.568 -10.175 109 HG LEU 18 HG LEU 18 5.997 -9.037 -8.601 110 HD11 LEU 18 1HD1 LEU 18 3.525 -8.958 -6.898 111 HD12 LEU 18 2HD1 LEU 18 4.943 -7.969 -6.551 112 HD13 LEU 18 3HD1 LEU 18 5.075 -9.728 -6.555 113 HD21 LEU 18 1HD2 LEU 18 4.881 -10.730 -9.516 114 HD22 LEU 18 2HD2 LEU 18 3.742 -9.535 -10.137 115 HD23 LEU 18 3HD2 LEU 18 3.417 -10.351 -8.607 116 H VAL 19 H VAL 19 7.560 -5.533 -7.389 117 HA VAL 19 HA VAL 19 9.664 -6.130 -9.092 118 HB VAL 19 HB VAL 19 10.955 -6.366 -6.788 119 HG11 VAL 19 1HG1 VAL 19 10.172 -4.208 -8.485 120 HG12 VAL 19 2HG1 VAL 19 10.214 -3.643 -6.813 121 HG13 VAL 19 3HG1 VAL 19 11.643 -4.391 -7.529 122 HG21 VAL 19 1HG2 VAL 19 8.347 -6.240 -5.875 123 HG22 VAL 19 2HG2 VAL 19 9.804 -5.986 -4.914 124 HG23 VAL 19 3HG2 VAL 19 8.963 -4.607 -5.622 125 H LYS 20 H LYS 20 8.922 -7.985 -6.136 126 HA LYS 20 HA LYS 20 9.697 -10.430 -7.584 127 HB2 LYS 20 1HB LYS 20 11.453 -9.634 -5.975 128 HB3 LYS 20 2HB LYS 20 10.291 -9.865 -4.675 129 HG2 LYS 20 1HG LYS 20 10.301 -12.184 -4.915 130 HG3 LYS 20 2HG LYS 20 11.017 -12.105 -6.527 131 HD2 LYS 20 1HD LYS 20 12.761 -12.804 -5.109 132 HD3 LYS 20 2HD LYS 20 13.059 -11.088 -5.398 133 HE2 LYS 20 1HE LYS 20 12.060 -10.531 -3.256 134 HE3 LYS 20 2HE LYS 20 11.667 -12.227 -2.976 135 HZ1 LYS 20 1HZ LYS 20 14.335 -10.953 -3.032 136 HZ2 LYS 20 2HZ LYS 20 14.146 -12.627 -3.182 137 HZ3 LYS 20 3HZ LYS 20 13.621 -11.838 -1.780 138 H LYS 21 H LYS 21 8.451 -12.215 -7.263 139 HA LYS 21 HA LYS 21 6.097 -11.869 -5.526 140 HB2 LYS 21 1HB LYS 21 5.281 -12.020 -7.718 141 HB3 LYS 21 2HB LYS 21 6.459 -13.245 -8.172 142 HG2 LYS 21 1HG LYS 21 5.309 -14.877 -6.765 143 HG3 LYS 21 2HG LYS 21 4.127 -13.648 -6.308 144 HD2 LYS 21 1HD LYS 21 3.110 -14.908 -8.026 145 HD3 LYS 21 2HD LYS 21 3.636 -13.404 -8.785 146 HE2 LYS 21 1HE LYS 21 4.425 -14.882 -10.327 147 HE3 LYS 21 2HE LYS 21 5.817 -14.839 -9.245 148 HZ1 LYS 21 1HZ LYS 21 3.720 -16.808 -8.708 149 HZ2 LYS 21 2HZ LYS 21 5.389 -16.914 -8.458 150 HZ3 LYS 21 3HZ LYS 21 4.755 -17.094 -10.016 151 H GLU 22 H GLU 22 6.724 -12.831 -3.654 152 HA GLU 22 HA GLU 22 7.778 -15.572 -3.813 153 HB2 GLU 22 1HB GLU 22 8.112 -13.354 -1.852 154 HB3 GLU 22 2HB GLU 22 8.162 -15.003 -1.245 155 HG2 GLU 22 1HG GLU 22 9.846 -15.261 -3.298 156 HG3 GLU 22 2HG GLU 22 10.080 -13.548 -2.954 157 HA PRO 23 HA PRO 23 4.099 -17.289 -2.149 158 HB2 PRO 23 1HB PRO 23 5.093 -19.330 -0.659 159 HB3 PRO 23 2HB PRO 23 5.076 -19.350 -2.427 160 HG2 PRO 23 1HG PRO 23 7.320 -18.683 -0.561 161 HG3 PRO 23 2HG PRO 23 7.348 -19.662 -2.039 162 HD2 PRO 23 1HD PRO 23 8.189 -17.089 -1.980 163 HD3 PRO 23 2HD PRO 23 7.430 -17.813 -3.413 164 H ARG 24 H ARG 24 6.601 -16.176 -0.012 165 HA ARG 24 HA ARG 24 4.591 -15.845 2.114 166 HB2 ARG 24 1HB ARG 24 7.506 -16.559 2.478 167 HB3 ARG 24 2HB ARG 24 6.379 -16.200 3.780 168 HG2 ARG 24 1HG ARG 24 5.159 -18.167 3.416 169 HG3 ARG 24 2HG ARG 24 5.887 -18.424 1.829 170 HD2 ARG 24 1HD ARG 24 6.880 -19.972 3.354 171 HD3 ARG 24 2HD ARG 24 8.082 -18.741 2.970 172 HE ARG 24 HE ARG 24 6.659 -18.037 5.311 173 HH11 ARG 24 2HH1 ARG 24 9.105 -20.221 4.143 174 HH12 ARG 24 1HH1 ARG 24 9.888 -20.373 5.681 175 HH21 ARG 24 2HH2 ARG 24 7.682 -18.229 7.341 176 HH22 ARG 24 1HH2 ARG 24 9.078 -19.240 7.499 177 H GLN 25 H GLN 25 6.767 -14.396 0.028 178 HA GLN 25 HA GLN 25 6.753 -11.931 1.639 179 HB2 GLN 25 1HB GLN 25 9.013 -12.806 1.630 180 HB3 GLN 25 2HB GLN 25 8.978 -12.973 -0.120 181 HG2 GLN 25 1HG GLN 25 8.517 -10.284 1.057 182 HG3 GLN 25 2HG GLN 25 10.155 -10.936 1.044 183 HE21 GLN 25 1HE2 GLN 25 9.952 -8.750 -0.318 184 HE22 GLN 25 2HE2 GLN 25 9.873 -9.019 -2.023 185 H LEU 26 H LEU 26 6.704 -9.951 0.439 186 HA LEU 26 HA LEU 26 6.287 -9.997 -2.403 187 HB2 LEU 26 1HB LEU 26 4.015 -9.863 -0.508 188 HB3 LEU 26 2HB LEU 26 3.976 -8.761 -1.883 189 HG LEU 26 HG LEU 26 4.152 -11.770 -2.041 190 HD11 LEU 26 1HD1 LEU 26 1.839 -10.842 -3.286 191 HD12 LEU 26 2HD1 LEU 26 1.925 -9.962 -1.760 192 HD13 LEU 26 3HD1 LEU 26 1.951 -11.725 -1.764 193 HD21 LEU 26 1HD2 LEU 26 4.968 -9.863 -3.896 194 HD22 LEU 26 2HD2 LEU 26 3.369 -10.368 -4.443 195 HD23 LEU 26 3HD2 LEU 26 4.639 -11.569 -4.202 196 H GLU 27 H GLU 27 7.274 -8.229 -3.096 197 HA GLU 27 HA GLU 27 7.185 -5.815 -1.408 198 HB2 GLU 27 1HB GLU 27 9.438 -6.557 -1.464 199 HB3 GLU 27 2HB GLU 27 9.365 -6.888 -3.189 200 HG2 GLU 27 1HG GLU 27 8.953 -4.355 -3.428 201 HG3 GLU 27 2HG GLU 27 9.580 -4.260 -1.784 202 H LEU 28 H LEU 28 6.969 -3.795 -2.433 203 HA LEU 28 HA LEU 28 6.279 -3.819 -5.279 204 HB2 LEU 28 1HB LEU 28 4.561 -2.319 -3.342 205 HB3 LEU 28 2HB LEU 28 4.210 -2.787 -5.004 206 HG LEU 28 HG LEU 28 4.420 -4.768 -2.744 207 HD11 LEU 28 1HD1 LEU 28 2.165 -4.613 -2.324 208 HD12 LEU 28 2HD1 LEU 28 1.815 -3.861 -3.880 209 HD13 LEU 28 3HD1 LEU 28 2.582 -2.922 -2.599 210 HD21 LEU 28 1HD2 LEU 28 2.792 -5.240 -5.162 211 HD22 LEU 28 2HD2 LEU 28 3.799 -6.351 -4.233 212 HD23 LEU 28 3HD2 LEU 28 4.542 -5.237 -5.383 213 H THR 29 H THR 29 6.400 -1.758 -6.302 214 HA THR 29 HA THR 29 7.616 0.402 -4.744 215 HB THR 29 HB THR 29 9.562 -0.677 -5.598 216 HG1 THR 29 1HG THR 29 10.167 0.961 -7.302 217 HG21 THR 29 1HG2 THR 29 9.823 -1.059 -8.073 218 HG22 THR 29 2HG2 THR 29 8.094 -0.748 -8.231 219 HG23 THR 29 3HG2 THR 29 8.662 -2.116 -7.273 220 H TRP 30 H TRP 30 6.743 2.307 -5.227 221 HA TRP 30 HA TRP 30 5.438 2.625 -7.849 222 HB2 TRP 30 1HB TRP 30 3.789 4.121 -6.655 223 HB3 TRP 30 2HB TRP 30 3.671 2.409 -6.260 224 HD1 TRP 30 HD TRP 30 4.831 5.747 -4.750 225 HE1 TRP 30 1HE TRP 30 4.919 5.493 -2.190 226 HE3 TRP 30 3HE TRP 30 3.892 0.734 -4.399 227 HZ2 TRP 30 2HZ TRP 30 4.630 3.439 -0.275 228 HZ3 TRP 30 3HZ TRP 30 3.815 -0.298 -2.167 229 HH2 TRP 30 HH TRP 30 4.177 1.028 -0.149 230 H ALA 31 H ALA 31 6.613 4.021 -8.985 231 HA ALA 31 HA ALA 31 7.376 6.555 -7.718 232 HB1 ALA 31 1HB ALA 31 9.320 4.939 -7.787 233 HB2 ALA 31 2HB ALA 31 9.261 5.086 -9.544 234 HB3 ALA 31 3HB ALA 31 9.585 6.507 -8.551 235 H GLY 32 H GLY 32 6.893 8.289 -8.923 236 HA2 GLY 32 1HA GLY 32 6.005 7.804 -11.690 237 HA3 GLY 32 2HA GLY 32 5.464 9.129 -10.671 238 H SER 33 H SER 33 6.750 10.964 -10.441 239 HA SER 33 HA SER 33 9.204 11.085 -12.037 240 HB2 SER 33 1HB SER 33 7.444 11.888 -13.525 241 HB3 SER 33 2HB SER 33 6.892 13.024 -12.295 242 HG SER 33 HG SER 33 8.621 14.266 -12.634 243 H ARG 34 H ARG 34 10.760 11.819 -10.768 244 HA ARG 34 HA ARG 34 10.678 12.699 -8.239 245 HB2 ARG 34 1HB ARG 34 12.784 13.930 -8.645 246 HB3 ARG 34 2HB ARG 34 12.780 12.338 -9.391 247 HG2 ARG 34 1HG ARG 34 11.916 14.648 -11.040 248 HG3 ARG 34 2HG ARG 34 13.633 14.478 -10.672 249 HD2 ARG 34 1HD ARG 34 13.373 12.059 -11.464 250 HD3 ARG 34 2HD ARG 34 11.832 12.580 -12.145 251 HE ARG 34 HE ARG 34 14.470 13.208 -13.124 252 HH11 ARG 34 2HH1 ARG 34 11.108 14.113 -13.097 253 HH12 ARG 34 1HH1 ARG 34 11.196 14.984 -14.592 254 HH21 ARG 34 2HH2 ARG 34 14.598 14.352 -15.094 255 HH22 ARG 34 1HH2 ARG 34 13.181 15.118 -15.728 256 HA PRO 35 HA PRO 35 8.542 16.545 -8.070 257 HB2 PRO 35 1HB PRO 35 9.548 17.490 -5.733 258 HB3 PRO 35 2HB PRO 35 8.369 16.176 -5.809 259 HG2 PRO 35 1HG PRO 35 11.340 16.037 -5.471 260 HG3 PRO 35 2HG PRO 35 10.075 15.122 -4.632 261 HD2 PRO 35 1HD PRO 35 11.509 14.083 -6.680 262 HD3 PRO 35 2HD PRO 35 9.818 13.635 -6.374 263 H ARG 36 H ARG 36 8.838 18.660 -8.630 264 HA ARG 36 HA ARG 36 11.338 19.415 -9.749 265 HB2 ARG 36 1HB ARG 36 8.965 20.149 -10.444 266 HB3 ARG 36 2HB ARG 36 9.099 21.331 -9.149 267 HG2 ARG 36 1HG ARG 36 9.763 22.513 -11.024 268 HG3 ARG 36 2HG ARG 36 11.294 22.025 -10.295 269 HD2 ARG 36 1HD ARG 36 11.269 20.040 -11.843 270 HD3 ARG 36 2HD ARG 36 9.898 20.789 -12.659 271 HE ARG 36 HE ARG 36 12.146 22.544 -12.445 272 HH11 ARG 36 2HH1 ARG 36 10.762 19.935 -14.287 273 HH12 ARG 36 1HH1 ARG 36 11.605 20.344 -15.745 274 HH21 ARG 36 2HH2 ARG 36 13.261 23.093 -14.358 275 HH22 ARG 36 1HH2 ARG 36 13.026 22.140 -15.784 276 H ASN 37 H ASN 37 9.523 20.560 -6.911 277 HA ASN 37 HA ASN 37 11.942 21.955 -5.997 278 HB2 ASN 37 1HB ASN 37 10.408 23.154 -4.447 279 HB3 ASN 37 2HB ASN 37 10.002 23.398 -6.143 280 HD21 ASN 37 1HD2 ASN 37 8.027 24.049 -4.704 281 HD22 ASN 37 2HD2 ASN 37 6.812 22.828 -4.570 282 HA PRO 38 HA PRO 38 12.612 19.056 -2.764 283 HB2 PRO 38 1HB PRO 38 13.757 20.661 -0.898 284 HB3 PRO 38 2HB PRO 38 14.591 20.154 -2.371 285 HG2 PRO 38 1HG PRO 38 13.194 22.734 -1.778 286 HG3 PRO 38 2HG PRO 38 14.746 22.464 -2.591 287 HD2 PRO 38 1HD PRO 38 12.460 22.977 -3.948 288 HD3 PRO 38 2HD PRO 38 13.745 21.940 -4.600 289 H GLY 39 H GLY 39 11.253 22.167 -1.666 290 HA2 GLY 39 1HA GLY 39 9.807 22.640 0.072 291 HA3 GLY 39 2HA GLY 39 8.893 21.312 -0.629 292 H GLY 40 H GLY 40 8.097 20.535 1.307 293 HA2 GLY 40 1HA GLY 40 9.997 19.803 3.402 294 HA3 GLY 40 2HA GLY 40 8.245 19.754 3.525 295 H ASN 41 H ASN 41 8.433 17.647 4.445 296 HA ASN 41 HA ASN 41 9.288 15.543 2.586 297 HB2 ASN 41 1HB ASN 41 8.673 15.351 5.543 298 HB3 ASN 41 2HB ASN 41 9.320 14.061 4.533 299 HD21 ASN 41 1HD2 ASN 41 9.994 17.031 6.175 300 HD22 ASN 41 2HD2 ASN 41 11.713 16.975 6.008 301 H LEU 42 H LEU 42 7.945 13.758 2.145 302 HA LEU 42 HA LEU 42 5.093 14.179 2.753 303 HB2 LEU 42 1HB LEU 42 6.469 13.582 0.186 304 HB3 LEU 42 2HB LEU 42 4.886 12.860 0.466 305 HG LEU 42 HG LEU 42 5.353 15.821 0.693 306 HD11 LEU 42 1HD1 LEU 42 5.104 16.158 -1.531 307 HD12 LEU 42 2HD1 LEU 42 4.127 14.707 -1.757 308 HD13 LEU 42 3HD1 LEU 42 5.879 14.575 -1.607 309 HD21 LEU 42 1HD2 LEU 42 2.851 15.647 -0.026 310 HD22 LEU 42 2HD2 LEU 42 3.311 15.362 1.653 311 HD23 LEU 42 3HD2 LEU 42 2.993 13.997 0.581 312 H SER 43 H SER 43 3.782 12.154 2.505 313 HA SER 43 HA SER 43 5.334 9.757 3.212 314 HB2 SER 43 1HB SER 43 2.877 10.834 4.604 315 HB3 SER 43 2HB SER 43 3.466 9.187 4.822 316 HG SER 43 HG SER 43 4.208 11.178 6.218 317 H TYR 44 H TYR 44 3.633 7.815 3.297 318 HA TYR 44 HA TYR 44 1.719 8.019 1.103 319 HB2 TYR 44 1HB TYR 44 3.790 5.824 1.125 320 HB3 TYR 44 2HB TYR 44 2.626 6.196 -0.142 321 HD1 TYR 44 2HD TYR 44 2.943 8.208 -1.556 322 HD2 TYR 44 1HD TYR 44 5.875 6.978 1.270 323 HE1 TYR 44 2HE TYR 44 4.610 9.629 -2.676 324 HE2 TYR 44 1HE TYR 44 7.550 8.396 0.159 325 HH TYR 44 HH TYR 44 7.345 10.627 -1.375 326 H GLU 45 H GLU 45 -0.055 6.797 1.409 327 HA GLU 45 HA GLU 45 -0.124 5.126 3.814 328 HB2 GLU 45 1HB GLU 45 -1.791 7.034 3.355 329 HB3 GLU 45 2HB GLU 45 -2.511 5.947 2.176 330 HG2 GLU 45 1HG GLU 45 -3.149 4.404 3.821 331 HG3 GLU 45 2HG GLU 45 -2.100 5.139 5.033 332 H LEU 46 H LEU 46 -0.025 2.997 3.630 333 HA LEU 46 HA LEU 46 -0.708 1.769 1.046 334 HB2 LEU 46 1HB LEU 46 1.622 1.573 2.266 335 HB3 LEU 46 2HB LEU 46 0.788 0.305 3.163 336 HG LEU 46 HG LEU 46 2.120 -0.562 1.280 337 HD11 LEU 46 1HD1 LEU 46 0.659 -2.227 1.024 338 HD12 LEU 46 2HD1 LEU 46 -0.549 -1.172 0.291 339 HD13 LEU 46 3HD1 LEU 46 -0.420 -1.277 2.047 340 HD21 LEU 46 1HD2 LEU 46 0.918 1.602 -0.102 341 HD22 LEU 46 2HD2 LEU 46 0.396 0.107 -0.878 342 HD23 LEU 46 3HD2 LEU 46 2.117 0.451 -0.692 343 H HIS 47 H HIS 47 -2.334 0.347 0.903 344 HA HIS 47 HA HIS 47 -3.487 -0.711 3.395 345 HB2 HIS 47 1HB HIS 47 -4.779 1.226 2.276 346 HB3 HIS 47 2HB HIS 47 -5.198 0.045 1.038 347 HD1 HIS 47 1HD HIS 47 -7.292 1.393 2.942 348 HD2 HIS 47 2HD HIS 47 -5.603 -2.363 3.494 349 HE1 HIS 47 1HE HIS 47 -8.918 0.130 4.386 350 HE2 HIS 47 2HE HIS 47 -7.834 -2.110 4.777 351 H VAL 48 H VAL 48 -3.254 -2.841 3.383 352 HA VAL 48 HA VAL 48 -3.447 -4.272 0.815 353 HB VAL 48 HB VAL 48 -2.078 -5.146 3.363 354 HG11 VAL 48 1HG1 VAL 48 -1.958 -6.485 0.672 355 HG12 VAL 48 2HG1 VAL 48 -1.385 -7.097 2.225 356 HG13 VAL 48 3HG1 VAL 48 -3.116 -6.949 1.918 357 HG21 VAL 48 1HG2 VAL 48 -0.290 -4.047 2.640 358 HG22 VAL 48 2HG2 VAL 48 -0.317 -4.979 1.143 359 HG23 VAL 48 3HG2 VAL 48 -1.203 -3.459 1.250 360 H LEU 49 H LEU 49 -5.276 -5.343 0.511 361 HA LEU 49 HA LEU 49 -6.791 -6.259 2.860 362 HB2 LEU 49 1HB LEU 49 -7.718 -5.759 0.035 363 HB3 LEU 49 2HB LEU 49 -8.737 -6.321 1.359 364 HG LEU 49 HG LEU 49 -7.984 -4.098 2.505 365 HD11 LEU 49 1HD1 LEU 49 -7.465 -2.305 1.035 366 HD12 LEU 49 2HD1 LEU 49 -7.696 -3.319 -0.388 367 HD13 LEU 49 3HD1 LEU 49 -6.328 -3.607 0.687 368 HD21 LEU 49 1HD2 LEU 49 -9.961 -4.224 0.231 369 HD22 LEU 49 2HD2 LEU 49 -9.892 -2.940 1.438 370 HD23 LEU 49 3HD2 LEU 49 -10.273 -4.591 1.927 371 H ASN 50 H ASN 50 -7.214 -8.371 3.157 372 HA ASN 50 HA ASN 50 -6.176 -10.242 1.139 373 HB2 ASN 50 1HB ASN 50 -5.009 -10.834 3.018 374 HB3 ASN 50 2HB ASN 50 -6.270 -10.268 4.110 375 HD21 ASN 50 1HD2 ASN 50 -5.040 -12.917 2.286 376 HD22 ASN 50 2HD2 ASN 50 -6.121 -14.118 2.896 377 H GLN 51 H GLN 51 -7.326 -12.455 1.259 378 HA GLN 51 HA GLN 51 -9.793 -12.360 0.175 379 HB2 GLN 51 1HB GLN 51 -8.476 -14.446 1.873 380 HB3 GLN 51 2HB GLN 51 -10.132 -14.686 1.332 381 HG2 GLN 51 1HG GLN 51 -9.242 -14.221 -1.016 382 HG3 GLN 51 2HG GLN 51 -7.642 -14.454 -0.315 383 HE21 GLN 51 1HE2 GLN 51 -10.505 -15.953 -1.434 384 HE22 GLN 51 2HE2 GLN 51 -10.021 -17.591 -1.172 385 H ASP 52 H ASP 52 -9.557 -13.509 3.528 386 HA ASP 52 HA ASP 52 -12.089 -12.116 4.085 387 HB2 ASP 52 1HB ASP 52 -10.867 -14.608 5.269 388 HB3 ASP 52 2HB ASP 52 -12.223 -13.771 6.021 389 H GLU 53 H GLU 53 -9.564 -10.774 4.176 390 HA GLU 53 HA GLU 53 -9.700 -9.790 6.898 391 HB2 GLU 53 1HB GLU 53 -7.140 -10.920 5.754 392 HB3 GLU 53 2HB GLU 53 -7.237 -9.957 7.221 393 HG2 GLU 53 1HG GLU 53 -8.724 -12.541 6.854 394 HG3 GLU 53 2HG GLU 53 -7.104 -12.443 7.542 395 H GLU 54 H GLU 54 -8.374 -7.809 7.184 396 HA GLU 54 HA GLU 54 -7.492 -6.476 4.768 397 HB2 GLU 54 1HB GLU 54 -9.760 -5.871 4.564 398 HB3 GLU 54 2HB GLU 54 -9.940 -5.630 6.296 399 HG2 GLU 54 1HG GLU 54 -8.075 -3.778 5.785 400 HG3 GLU 54 2HG GLU 54 -8.894 -3.812 4.225 401 H TRP 55 H TRP 55 -5.758 -5.292 5.220 402 HA TRP 55 HA TRP 55 -5.525 -3.934 7.783 403 HB2 TRP 55 1HB TRP 55 -3.539 -4.958 8.484 404 HB3 TRP 55 2HB TRP 55 -4.515 -6.309 7.912 405 HD1 TRP 55 HD TRP 55 -1.569 -4.095 6.743 406 HE1 TRP 55 1HE TRP 55 -0.153 -5.462 5.083 407 HE3 TRP 55 3HE TRP 55 -4.504 -8.268 6.416 408 HZ2 TRP 55 2HZ TRP 55 -0.266 -7.976 3.804 409 HZ3 TRP 55 3HZ TRP 55 -3.779 -10.108 4.952 410 HH2 TRP 55 HH TRP 55 -1.704 -9.963 3.673 411 H HIS 56 H HIS 56 -4.297 -2.099 7.700 412 HA HIS 56 HA HIS 56 -2.872 -1.540 5.188 413 HB2 HIS 56 1HB HIS 56 -3.783 0.660 5.058 414 HB3 HIS 56 2HB HIS 56 -5.143 -0.435 5.292 415 HD1 HIS 56 1HD HIS 56 -5.293 2.582 6.016 416 HD2 HIS 56 2HD HIS 56 -4.408 -0.461 8.703 417 HE1 HIS 56 1HE HIS 56 -5.891 3.491 8.283 418 HE2 HIS 56 2HE HIS 56 -5.267 1.664 9.901 419 H GLN 57 H GLN 57 -1.075 -0.176 5.344 420 HA GLN 57 HA GLN 57 -0.275 0.725 8.005 421 HB2 GLN 57 1HB GLN 57 2.006 -0.254 7.660 422 HB3 GLN 57 2HB GLN 57 0.736 -1.441 7.922 423 HG2 GLN 57 1HG GLN 57 0.664 -1.964 5.582 424 HG3 GLN 57 2HG GLN 57 1.797 -0.665 5.217 425 HE21 GLN 57 1HE2 GLN 57 3.906 -0.846 6.486 426 HE22 GLN 57 2HE2 GLN 57 4.618 -2.419 6.547 427 H MET 58 H MET 58 0.591 2.696 7.937 428 HA MET 58 HA MET 58 0.989 3.993 5.404 429 HB2 MET 58 1HB MET 58 0.004 5.097 7.439 430 HB3 MET 58 2HB MET 58 1.609 5.071 8.156 431 HG2 MET 58 1HG MET 58 2.399 6.378 6.155 432 HG3 MET 58 2HG MET 58 0.702 6.572 5.720 433 HE1 MET 58 1HE MET 58 3.291 8.250 8.840 434 HE2 MET 58 2HE MET 58 2.127 7.356 9.817 435 HE3 MET 58 3HE MET 58 3.037 6.528 8.553 436 H VAL 59 H VAL 59 2.830 4.196 4.311 437 HA VAL 59 HA VAL 59 5.358 3.619 5.716 438 HB VAL 59 HB VAL 59 6.252 2.802 3.569 439 HG11 VAL 59 1HG1 VAL 59 4.398 1.520 5.263 440 HG12 VAL 59 2HG1 VAL 59 4.028 1.009 3.615 441 HG13 VAL 59 3HG1 VAL 59 5.652 0.783 4.266 442 HG21 VAL 59 1HG2 VAL 59 4.083 2.201 2.014 443 HG22 VAL 59 2HG2 VAL 59 3.684 3.814 2.604 444 HG23 VAL 59 3HG2 VAL 59 5.195 3.543 1.737 445 H LEU 60 H LEU 60 7.024 5.019 5.485 446 HA LEU 60 HA LEU 60 6.447 7.602 4.348 447 HB2 LEU 60 1HB LEU 60 9.019 6.600 5.555 448 HB3 LEU 60 2HB LEU 60 8.571 8.280 5.269 449 HG LEU 60 HG LEU 60 7.047 6.503 7.160 450 HD11 LEU 60 1HD1 LEU 60 9.544 6.770 7.690 451 HD12 LEU 60 2HD1 LEU 60 8.378 7.170 8.950 452 HD13 LEU 60 3HD1 LEU 60 9.150 8.456 8.023 453 HD21 LEU 60 1HD2 LEU 60 7.102 9.407 6.485 454 HD22 LEU 60 2HD2 LEU 60 6.689 8.912 8.127 455 HD23 LEU 60 3HD2 LEU 60 5.726 8.339 6.764 456 H GLU 61 H GLU 61 8.329 4.788 3.495 457 HA GLU 61 HA GLU 61 9.648 6.166 1.300 458 HB2 GLU 61 1HB GLU 61 10.791 4.042 0.912 459 HB3 GLU 61 2HB GLU 61 10.914 4.518 2.600 460 HG2 GLU 61 1HG GLU 61 8.691 2.717 1.817 461 HG3 GLU 61 2HG GLU 61 10.322 2.052 1.882 462 HA PRO 62 HA PRO 62 6.736 5.103 -1.811 463 HB2 PRO 62 1HB PRO 62 8.372 4.903 -3.968 464 HB3 PRO 62 2HB PRO 62 7.951 6.449 -3.221 465 HG2 PRO 62 1HG PRO 62 10.422 4.793 -2.885 466 HG3 PRO 62 2HG PRO 62 10.270 6.549 -3.081 467 HD2 PRO 62 1HD PRO 62 10.662 5.381 -0.670 468 HD3 PRO 62 2HD PRO 62 9.725 6.876 -0.866 469 H ARG 63 H ARG 63 8.849 2.928 -0.542 470 HA ARG 63 HA ARG 63 7.728 0.748 -2.162 471 HB2 ARG 63 1HB ARG 63 9.846 -0.430 -2.150 472 HB3 ARG 63 2HB ARG 63 10.062 1.161 -2.866 473 HG2 ARG 63 1HG ARG 63 10.715 1.786 -0.377 474 HG3 ARG 63 2HG ARG 63 11.105 0.066 -0.318 475 HD2 ARG 63 1HD ARG 63 12.653 0.271 -2.110 476 HD3 ARG 63 2HD ARG 63 12.108 1.908 -2.477 477 HE ARG 63 HE ARG 63 13.195 1.568 0.174 478 HH11 ARG 63 2HH1 ARG 63 13.868 2.332 -3.155 479 HH12 ARG 63 1HH1 ARG 63 15.323 3.202 -2.797 480 HH21 ARG 63 2HH2 ARG 63 15.109 2.710 0.658 481 HH22 ARG 63 1HH2 ARG 63 16.029 3.416 -0.628 482 H VAL 64 H VAL 64 6.755 -0.752 -0.969 483 HA VAL 64 HA VAL 64 7.307 -0.807 1.921 484 HB VAL 64 HB VAL 64 4.986 -0.246 1.296 485 HG11 VAL 64 1HG1 VAL 64 3.542 -1.949 0.301 486 HG12 VAL 64 2HG1 VAL 64 4.858 -1.510 -0.789 487 HG13 VAL 64 3HG1 VAL 64 4.929 -3.022 0.117 488 HG21 VAL 64 1HG2 VAL 64 5.725 -1.672 3.348 489 HG22 VAL 64 2HG2 VAL 64 4.011 -1.508 2.967 490 HG23 VAL 64 3HG2 VAL 64 4.879 -2.974 2.511 491 H LEU 65 H LEU 65 7.376 -2.840 3.007 492 HA LEU 65 HA LEU 65 8.049 -5.106 1.248 493 HB2 LEU 65 1HB LEU 65 9.881 -3.860 2.684 494 HB3 LEU 65 2HB LEU 65 9.234 -4.879 3.968 495 HG LEU 65 HG LEU 65 11.276 -5.762 2.806 496 HD11 LEU 65 1HD1 LEU 65 10.192 -7.392 4.003 497 HD12 LEU 65 2HD1 LEU 65 10.111 -8.065 2.375 498 HD13 LEU 65 3HD1 LEU 65 8.706 -7.250 3.063 499 HD21 LEU 65 1HD2 LEU 65 9.461 -6.522 0.552 500 HD22 LEU 65 2HD2 LEU 65 11.223 -6.513 0.614 501 HD23 LEU 65 3HD2 LEU 65 10.336 -4.991 0.522 502 H LEU 66 H LEU 66 6.533 -6.614 1.406 503 HA LEU 66 HA LEU 66 5.159 -6.989 3.977 504 HB2 LEU 66 1HB LEU 66 4.338 -7.990 1.257 505 HB3 LEU 66 2HB LEU 66 3.385 -8.047 2.738 506 HG LEU 66 HG LEU 66 4.217 -5.488 1.379 507 HD11 LEU 66 1HD1 LEU 66 2.809 -6.492 -0.190 508 HD12 LEU 66 2HD1 LEU 66 1.739 -5.453 0.751 509 HD13 LEU 66 3HD1 LEU 66 1.770 -7.190 1.051 510 HD21 LEU 66 1HD2 LEU 66 2.982 -6.127 3.896 511 HD22 LEU 66 2HD2 LEU 66 1.884 -5.181 2.892 512 HD23 LEU 66 3HD2 LEU 66 3.494 -4.562 3.264 513 H THR 67 H THR 67 5.333 -8.848 5.082 514 HA THR 67 HA THR 67 6.535 -11.177 3.756 515 HB THR 67 HB THR 67 7.875 -11.614 5.830 516 HG1 THR 67 1HG THR 67 8.257 -9.498 7.012 517 HG21 THR 67 1HG2 THR 67 9.696 -10.316 5.143 518 HG22 THR 67 2HG2 THR 67 8.669 -8.969 4.652 519 HG23 THR 67 3HG2 THR 67 8.706 -10.446 3.690 520 H LYS 68 H LYS 68 6.488 -13.097 5.433 521 HA LYS 68 HA LYS 68 5.190 -14.618 6.517 522 HB2 LYS 68 1HB LYS 68 4.363 -12.045 7.820 523 HB3 LYS 68 2HB LYS 68 3.553 -13.548 8.244 524 HG2 LYS 68 1HG LYS 68 5.923 -14.457 8.665 525 HG3 LYS 68 2HG LYS 68 6.407 -12.760 8.680 526 HD2 LYS 68 1HD LYS 68 4.963 -12.285 10.517 527 HD3 LYS 68 2HD LYS 68 4.193 -13.869 10.398 528 HE2 LYS 68 1HE LYS 68 5.640 -14.231 12.140 529 HE3 LYS 68 2HE LYS 68 6.640 -14.736 10.779 530 HZ1 LYS 68 1HZ LYS 68 7.022 -12.006 11.094 531 HZ2 LYS 68 2HZ LYS 68 8.127 -13.246 11.415 532 HZ3 LYS 68 3HZ LYS 68 7.113 -12.677 12.644 533 H LEU 69 H LEU 69 4.345 -14.154 3.997 534 HA LEU 69 HA LEU 69 1.427 -13.859 4.161 535 HB2 LEU 69 1HB LEU 69 3.201 -13.878 1.724 536 HB3 LEU 69 2HB LEU 69 1.470 -13.546 1.755 537 HG LEU 69 HG LEU 69 3.554 -11.820 3.089 538 HD11 LEU 69 1HD1 LEU 69 4.066 -11.398 0.911 539 HD12 LEU 69 2HD1 LEU 69 2.710 -10.287 1.106 540 HD13 LEU 69 3HD1 LEU 69 2.464 -11.850 0.327 541 HD21 LEU 69 1HD2 LEU 69 1.431 -11.553 4.136 542 HD22 LEU 69 2HD2 LEU 69 0.602 -11.494 2.580 543 HD23 LEU 69 3HD2 LEU 69 1.666 -10.172 3.064 544 H GLN 70 H GLN 70 0.211 -15.291 2.564 545 HA GLN 70 HA GLN 70 1.154 -18.041 2.939 546 HB2 GLN 70 1HB GLN 70 -1.598 -17.001 2.242 547 HB3 GLN 70 2HB GLN 70 -1.185 -18.690 2.508 548 HG2 GLN 70 1HG GLN 70 -1.013 -16.483 4.547 549 HG3 GLN 70 2HG GLN 70 -2.260 -17.725 4.458 550 HE21 GLN 70 1HE2 GLN 70 -1.330 -20.013 4.423 551 HE22 GLN 70 2HE2 GLN 70 -0.083 -20.337 5.573 552 HA PRO 71 HA PRO 71 2.067 -18.457 -1.353 553 HB2 PRO 71 1HB PRO 71 2.025 -21.167 -1.506 554 HB3 PRO 71 2HB PRO 71 3.342 -20.268 -0.744 555 HG2 PRO 71 1HG PRO 71 1.010 -21.650 0.526 556 HG3 PRO 71 2HG PRO 71 2.712 -21.639 1.025 557 HD2 PRO 71 1HD PRO 71 0.838 -20.080 2.204 558 HD3 PRO 71 2HD PRO 71 2.532 -19.577 2.038 559 H ASP 72 H ASP 72 1.051 -18.862 -3.306 560 HA ASP 72 HA ASP 72 -0.713 -19.016 -4.737 561 HB2 ASP 72 1HB ASP 72 -0.414 -21.407 -4.275 562 HB3 ASP 72 2HB ASP 72 -1.487 -21.279 -2.884 563 H THR 73 H THR 73 -1.042 -17.006 -2.932 564 HA THR 73 HA THR 73 -3.950 -17.041 -2.514 565 HB THR 73 HB THR 73 -2.033 -15.768 -0.558 566 HG1 THR 73 1HG THR 73 -2.803 -18.370 -0.822 567 HG21 THR 73 1HG2 THR 73 -4.411 -14.903 -0.794 568 HG22 THR 73 2HG2 THR 73 -3.926 -15.422 0.820 569 HG23 THR 73 3HG2 THR 73 -4.937 -16.469 -0.176 570 H THR 74 H THR 74 -5.009 -15.139 -2.938 571 HA THR 74 HA THR 74 -3.508 -13.173 -4.459 572 HB THR 74 HB THR 74 -6.482 -13.306 -3.926 573 HG1 THR 74 1HG THR 74 -5.379 -13.936 -6.416 574 HG21 THR 74 1HG2 THR 74 -6.743 -11.708 -5.656 575 HG22 THR 74 2HG2 THR 74 -5.051 -11.842 -6.135 576 HG23 THR 74 3HG2 THR 74 -5.476 -11.078 -4.604 577 H TYR 75 H TYR 75 -2.921 -11.222 -3.750 578 HA TYR 75 HA TYR 75 -4.145 -10.207 -1.271 579 HB2 TYR 75 1HB TYR 75 -1.236 -10.339 -2.035 580 HB3 TYR 75 2HB TYR 75 -1.821 -9.178 -0.848 581 HD1 TYR 75 2HD TYR 75 -2.903 -10.020 1.253 582 HD2 TYR 75 1HD TYR 75 -0.900 -12.612 -1.462 583 HE1 TYR 75 2HE TYR 75 -2.750 -11.733 3.011 584 HE2 TYR 75 1HE TYR 75 -0.743 -14.333 0.288 585 HH TYR 75 HH TYR 75 -1.646 -14.969 2.332 586 H ILE 76 H ILE 76 -5.048 -8.280 -1.506 587 HA ILE 76 HA ILE 76 -4.484 -6.716 -3.899 588 HB ILE 76 HB ILE 76 -6.534 -6.120 -1.770 589 HG12 ILE 76 1HG1 ILE 76 -6.766 -8.417 -2.815 590 HG13 ILE 76 2HG1 ILE 76 -8.151 -7.349 -3.016 591 HG21 ILE 76 1HG2 ILE 76 -6.164 -4.221 -3.126 592 HG22 ILE 76 2HG2 ILE 76 -6.118 -5.189 -4.598 593 HG23 ILE 76 3HG2 ILE 76 -7.639 -4.971 -3.733 594 HD11 ILE 76 1HD1 ILE 76 -6.062 -7.495 -5.139 595 HD12 ILE 76 2HD1 ILE 76 -7.304 -8.742 -5.019 596 HD13 ILE 76 3HD1 ILE 76 -7.765 -7.058 -5.267 597 H VAL 77 H VAL 77 -3.458 -4.799 -3.928 598 HA VAL 77 HA VAL 77 -2.853 -3.479 -1.375 599 HB VAL 77 HB VAL 77 -0.799 -3.947 -3.540 600 HG11 VAL 77 1HG1 VAL 77 -0.903 -1.906 -1.736 601 HG12 VAL 77 2HG1 VAL 77 0.063 -3.104 -0.872 602 HG13 VAL 77 3HG1 VAL 77 0.574 -2.539 -2.463 603 HG21 VAL 77 1HG2 VAL 77 -1.413 -5.996 -2.265 604 HG22 VAL 77 2HG2 VAL 77 0.266 -5.501 -2.053 605 HG23 VAL 77 3HG2 VAL 77 -0.917 -5.171 -0.787 606 H ARG 78 H ARG 78 -2.776 -1.269 -1.445 607 HA ARG 78 HA ARG 78 -2.849 0.093 -4.018 608 HB2 ARG 78 1HB ARG 78 -4.862 1.433 -3.222 609 HB3 ARG 78 2HB ARG 78 -5.173 -0.216 -3.748 610 HG2 ARG 78 1HG ARG 78 -5.501 -0.976 -1.562 611 HG3 ARG 78 2HG ARG 78 -4.741 0.454 -0.860 612 HD2 ARG 78 1HD ARG 78 -6.587 1.823 -1.413 613 HD3 ARG 78 2HD ARG 78 -7.271 0.595 -2.477 614 HE ARG 78 HE ARG 78 -7.119 -0.470 0.102 615 HH11 ARG 78 2HH1 ARG 78 -8.819 2.023 -1.635 616 HH12 ARG 78 1HH1 ARG 78 -10.227 1.946 -0.629 617 HH21 ARG 78 2HH2 ARG 78 -8.967 -0.581 1.434 618 HH22 ARG 78 1HH2 ARG 78 -10.310 0.465 1.117 619 H VAL 79 H VAL 79 -1.513 1.764 -3.909 620 HA VAL 79 HA VAL 79 -1.101 3.070 -1.297 621 HB VAL 79 HB VAL 79 0.853 1.737 -2.312 622 HG11 VAL 79 1HG1 VAL 79 1.899 2.436 -4.188 623 HG12 VAL 79 2HG1 VAL 79 0.309 3.102 -4.565 624 HG13 VAL 79 3HG1 VAL 79 1.559 4.137 -3.874 625 HG21 VAL 79 1HG2 VAL 79 0.727 3.970 -0.698 626 HG22 VAL 79 2HG2 VAL 79 2.140 2.941 -0.938 627 HG23 VAL 79 3HG2 VAL 79 1.940 4.404 -1.903 628 H ARG 80 H ARG 80 -0.819 5.322 -1.269 629 HA ARG 80 HA ARG 80 -1.120 6.823 -3.730 630 HB2 ARG 80 1HB ARG 80 -3.095 8.064 -2.923 631 HB3 ARG 80 2HB ARG 80 -3.439 6.360 -3.182 632 HG2 ARG 80 1HG ARG 80 -4.455 6.624 -1.176 633 HG3 ARG 80 2HG ARG 80 -2.831 6.232 -0.605 634 HD2 ARG 80 1HD ARG 80 -2.325 8.559 -0.284 635 HD3 ARG 80 2HD ARG 80 -3.849 9.037 -1.030 636 HE ARG 80 HE ARG 80 -3.449 8.102 1.670 637 HH11 ARG 80 2HH1 ARG 80 -5.730 8.596 -0.914 638 HH12 ARG 80 1HH1 ARG 80 -7.106 8.649 0.137 639 HH21 ARG 80 2HH2 ARG 80 -5.254 8.170 3.063 640 HH22 ARG 80 1HH2 ARG 80 -6.834 8.407 2.399 641 H THR 81 H THR 81 -0.444 8.953 -3.564 642 HA THR 81 HA THR 81 1.462 9.543 -1.598 643 HB THR 81 HB THR 81 0.026 11.500 -3.403 644 HG1 THR 81 1HG THR 81 1.157 10.584 -4.928 645 HG21 THR 81 1HG2 THR 81 1.744 12.031 -1.306 646 HG22 THR 81 2HG2 THR 81 1.404 13.104 -2.665 647 HG23 THR 81 3HG2 THR 81 2.805 12.034 -2.714 648 H LEU 82 H LEU 82 0.970 9.765 0.494 649 HA LEU 82 HA LEU 82 -1.525 10.949 1.343 650 HB2 LEU 82 1HB LEU 82 -0.513 9.015 2.503 651 HB3 LEU 82 2HB LEU 82 0.837 10.041 2.983 652 HG LEU 82 HG LEU 82 -0.651 11.392 4.353 653 HD11 LEU 82 1HD1 LEU 82 -2.789 9.542 3.319 654 HD12 LEU 82 2HD1 LEU 82 -2.692 11.292 3.127 655 HD13 LEU 82 3HD1 LEU 82 -2.991 10.595 4.719 656 HD21 LEU 82 1HD2 LEU 82 -1.248 9.677 6.031 657 HD22 LEU 82 2HD2 LEU 82 0.392 9.492 5.411 658 HD23 LEU 82 3HD2 LEU 82 -0.892 8.426 4.841 659 H THR 83 H THR 83 -1.836 13.031 1.742 660 HA THR 83 HA THR 83 0.496 14.709 2.398 661 HB THR 83 HB THR 83 -0.261 16.480 1.039 662 HG1 THR 83 1HG THR 83 -2.361 16.117 -0.142 663 HG21 THR 83 1HG2 THR 83 -1.085 14.650 -1.015 664 HG22 THR 83 2HG2 THR 83 0.234 13.946 -0.079 665 HG23 THR 83 3HG2 THR 83 0.439 15.520 -0.846 666 HA PRO 84 HA PRO 84 -1.766 16.113 5.894 667 HB2 PRO 84 1HB PRO 84 -0.765 18.622 6.161 668 HB3 PRO 84 2HB PRO 84 0.164 17.171 6.555 669 HG2 PRO 84 1HG PRO 84 0.241 18.858 4.083 670 HG3 PRO 84 2HG PRO 84 1.586 18.154 4.999 671 HD2 PRO 84 1HD PRO 84 0.645 17.048 2.714 672 HD3 PRO 84 2HD PRO 84 1.320 16.076 4.037 673 H LEU 85 H LEU 85 -1.652 18.329 3.124 674 HA LEU 85 HA LEU 85 -4.423 19.111 3.742 675 HB2 LEU 85 1HB LEU 85 -2.181 20.821 2.686 676 HB3 LEU 85 2HB LEU 85 -3.873 21.312 2.679 677 HG LEU 85 HG LEU 85 -2.275 20.686 5.161 678 HD11 LEU 85 1HD1 LEU 85 -3.091 23.411 4.950 679 HD12 LEU 85 2HD1 LEU 85 -2.182 22.967 3.506 680 HD13 LEU 85 3HD1 LEU 85 -1.465 22.746 5.102 681 HD21 LEU 85 1HD2 LEU 85 -4.558 20.300 5.613 682 HD22 LEU 85 2HD2 LEU 85 -5.062 21.714 4.687 683 HD23 LEU 85 3HD2 LEU 85 -4.217 21.919 6.222 684 H GLY 86 H GLY 86 -5.347 17.653 2.318 685 HA2 GLY 86 1HA GLY 86 -6.396 17.492 0.197 686 HA3 GLY 86 2HA GLY 86 -5.049 18.373 -0.507 687 HA PRO 87 HA PRO 87 -3.472 13.848 0.166 688 HB2 PRO 87 1HB PRO 87 -5.328 12.014 0.917 689 HB3 PRO 87 2HB PRO 87 -4.369 12.941 2.077 690 HG2 PRO 87 1HG PRO 87 -7.173 13.405 1.138 691 HG3 PRO 87 2HG PRO 87 -6.512 13.505 2.780 692 HD2 PRO 87 1HD PRO 87 -6.964 15.697 1.256 693 HD3 PRO 87 2HD PRO 87 -5.641 15.611 2.437 694 H GLY 88 H GLY 88 -3.275 12.449 -1.531 695 HA2 GLY 88 1HA GLY 88 -5.032 12.824 -3.768 696 HA3 GLY 88 2HA GLY 88 -3.629 11.767 -3.709 697 HA PRO 89 HA PRO 89 -7.772 9.422 -3.450 698 HB2 PRO 89 1HB PRO 89 -7.885 8.511 -6.004 699 HB3 PRO 89 2HB PRO 89 -8.624 10.033 -5.494 700 HG2 PRO 89 1HG PRO 89 -6.008 9.567 -6.871 701 HG3 PRO 89 2HG PRO 89 -7.235 10.806 -7.190 702 HD2 PRO 89 1HD PRO 89 -4.982 11.317 -5.778 703 HD3 PRO 89 2HD PRO 89 -6.520 12.141 -5.452 704 H PHE 90 H PHE 90 -7.894 7.183 -3.265 705 HA PHE 90 HA PHE 90 -5.392 5.822 -3.021 706 HB2 PHE 90 1HB PHE 90 -8.241 5.201 -2.451 707 HB3 PHE 90 2HB PHE 90 -7.163 3.831 -2.700 708 HD1 PHE 90 2HD PHE 90 -5.178 3.551 -1.225 709 HD2 PHE 90 1HD PHE 90 -8.191 6.458 -0.459 710 HE1 PHE 90 2HE PHE 90 -4.395 3.744 1.099 711 HE2 PHE 90 1HE PHE 90 -7.413 6.656 1.867 712 HZ PHE 90 HZ PHE 90 -5.514 5.298 2.649 713 H SER 91 H SER 91 -4.470 4.323 -4.320 714 HA SER 91 HA SER 91 -5.086 4.283 -7.055 715 HB2 SER 91 1HB SER 91 -3.204 3.001 -7.294 716 HB3 SER 91 2HB SER 91 -2.914 3.578 -5.653 717 HG SER 91 HG SER 91 -2.690 1.424 -5.494 718 HA PRO 92 HA PRO 92 -8.173 1.208 -7.561 719 HB2 PRO 92 1HB PRO 92 -7.391 -0.001 -9.863 720 HB3 PRO 92 2HB PRO 92 -8.073 1.629 -9.818 721 HG2 PRO 92 1HG PRO 92 -5.208 0.778 -9.983 722 HG3 PRO 92 2HG PRO 92 -6.045 2.067 -10.868 723 HD2 PRO 92 1HD PRO 92 -4.479 2.559 -8.714 724 HD3 PRO 92 2HD PRO 92 -5.905 3.543 -9.103 725 H ASP 93 H ASP 93 -8.563 -0.755 -6.736 726 HA ASP 93 HA ASP 93 -6.769 -2.315 -5.420 727 HB2 ASP 93 1HB ASP 93 -9.285 -3.195 -6.847 728 HB3 ASP 93 2HB ASP 93 -8.398 -4.206 -5.710 729 H HIS 94 H HIS 94 -4.999 -3.339 -6.046 730 HA HIS 94 HA HIS 94 -4.780 -4.263 -8.818 731 HB2 HIS 94 1HB HIS 94 -2.801 -3.520 -6.702 732 HB3 HIS 94 2HB HIS 94 -2.308 -4.622 -7.983 733 HD1 HIS 94 1HD HIS 94 -3.480 -1.084 -7.445 734 HD2 HIS 94 2HD HIS 94 -1.811 -3.444 -10.428 735 HE1 HIS 94 1HE HIS 94 -2.848 0.508 -9.286 736 HE2 HIS 94 2HE HIS 94 -1.918 -0.953 -11.115 737 H GLU 95 H GLU 95 -5.320 -6.307 -9.173 738 HA GLU 95 HA GLU 95 -5.411 -8.259 -7.081 739 HB2 GLU 95 1HB GLU 95 -6.830 -8.029 -9.297 740 HB3 GLU 95 2HB GLU 95 -5.544 -9.022 -9.966 741 HG2 GLU 95 1HG GLU 95 -6.013 -10.799 -8.481 742 HG3 GLU 95 2HG GLU 95 -7.072 -9.789 -7.499 743 H PHE 96 H PHE 96 -3.590 -9.072 -6.273 744 HA PHE 96 HA PHE 96 -1.464 -9.862 -8.155 745 HB2 PHE 96 1HB PHE 96 -1.287 -8.801 -5.339 746 HB3 PHE 96 2HB PHE 96 0.052 -9.649 -6.105 747 HD1 PHE 96 1HD PHE 96 0.572 -8.720 -8.576 748 HD2 PHE 96 2HD PHE 96 -1.235 -6.517 -5.413 749 HE1 PHE 96 1HE PHE 96 1.302 -6.619 -9.627 750 HE2 PHE 96 2HE PHE 96 -0.509 -4.412 -6.460 751 HZ PHE 96 HZ PHE 96 0.760 -4.461 -8.570 752 H ARG 97 H ARG 97 -0.186 -11.743 -7.509 753 HA ARG 97 HA ARG 97 -1.548 -13.578 -5.677 754 HB2 ARG 97 1HB ARG 97 -2.139 -13.860 -8.223 755 HB3 ARG 97 2HB ARG 97 -0.563 -14.636 -8.296 756 HG2 ARG 97 1HG ARG 97 -1.218 -16.362 -6.858 757 HG3 ARG 97 2HG ARG 97 -2.638 -15.473 -6.302 758 HD2 ARG 97 1HD ARG 97 -2.274 -16.385 -9.147 759 HD3 ARG 97 2HD ARG 97 -3.075 -17.364 -7.919 760 HE ARG 97 HE ARG 97 -4.427 -15.050 -7.769 761 HH11 ARG 97 2HH1 ARG 97 -3.525 -17.058 -10.466 762 HH12 ARG 97 1HH1 ARG 97 -4.905 -16.622 -11.420 763 HH21 ARG 97 2HH2 ARG 97 -6.247 -14.469 -9.014 764 HH22 ARG 97 1HH2 ARG 97 -6.452 -15.149 -10.593 765 H THR 98 H THR 98 -0.208 -14.897 -4.544 766 HA THR 98 HA THR 98 2.625 -14.330 -4.699 767 HB THR 98 HB THR 98 2.723 -15.941 -2.721 768 HG1 THR 98 1HG THR 98 0.863 -16.710 -1.930 769 HG21 THR 98 1HG2 THR 98 1.339 -14.223 -1.274 770 HG22 THR 98 2HG2 THR 98 1.307 -13.318 -2.787 771 HG23 THR 98 3HG2 THR 98 2.850 -13.749 -2.048 772 H SER 99 H SER 99 4.264 -15.902 -4.944 773 HA SER 99 HA SER 99 3.969 -17.678 -7.039 774 HB2 SER 99 1HB SER 99 6.150 -16.850 -6.214 775 HB3 SER 99 2HB SER 99 5.984 -17.871 -4.786 776 HG SER 99 HG SER 99 7.250 -18.875 -6.397 777 HA PRO 100 HA PRO 100 1.878 -21.176 -5.375 778 HB2 PRO 100 1HB PRO 100 2.696 -23.048 -7.163 779 HB3 PRO 100 2HB PRO 100 1.508 -21.799 -7.555 780 HG2 PRO 100 1HG PRO 100 4.437 -21.885 -8.166 781 HG3 PRO 100 2HG PRO 100 3.092 -21.385 -9.207 782 HD2 PRO 100 1HD PRO 100 4.679 -19.606 -7.923 783 HD3 PRO 100 2HD PRO 100 2.962 -19.293 -8.248 784 HA PRO 101 HA PRO 101 4.794 -23.209 -2.751 785 HB2 PRO 101 1HB PRO 101 3.221 -25.259 -1.916 786 HB3 PRO 101 2HB PRO 101 3.021 -23.599 -1.343 787 HG2 PRO 101 1HG PRO 101 1.496 -25.070 -3.458 788 HG3 PRO 101 2HG PRO 101 0.889 -23.999 -2.182 789 HD2 PRO 101 1HD PRO 101 1.212 -23.177 -4.742 790 HD3 PRO 101 2HD PRO 101 1.425 -22.089 -3.356 791 H SER 102 H SER 102 2.836 -25.413 -4.767 792 HA SER 102 HA SER 102 5.203 -27.119 -5.097 793 HB2 SER 102 1HB SER 102 2.277 -27.693 -5.622 794 HB3 SER 102 2HB SER 102 3.593 -28.835 -5.896 795 HG SER 102 HG SER 102 4.075 -28.384 -3.561 796 H GLY 103 H GLY 103 5.556 -28.090 -7.244 797 HA2 GLY 103 1HA GLY 103 4.409 -27.302 -9.622 798 HA3 GLY 103 2HA GLY 103 5.600 -26.062 -9.256 799 HA PRO 104 HA PRO 104 8.824 -28.496 -10.945 800 HB2 PRO 104 1HB PRO 104 10.877 -28.107 -9.211 801 HB3 PRO 104 2HB PRO 104 10.298 -26.851 -10.312 802 HG2 PRO 104 1HG PRO 104 9.697 -27.248 -7.406 803 HG3 PRO 104 2HG PRO 104 10.064 -25.748 -8.278 804 HD2 PRO 104 1HD PRO 104 7.538 -26.471 -7.621 805 HD3 PRO 104 2HD PRO 104 7.915 -25.546 -9.089 806 H SER 105 H SER 105 7.395 -29.359 -8.044 807 HA SER 105 HA SER 105 9.112 -31.536 -7.316 808 HB2 SER 105 1HB SER 105 7.791 -30.543 -5.577 809 HB3 SER 105 2HB SER 105 6.302 -30.789 -6.488 810 HG SER 105 HG SER 105 7.376 -32.415 -4.737 811 H SER 106 H SER 106 9.220 -33.455 -8.257 812 HA SER 106 HA SER 106 8.029 -34.298 -10.515 813 HB2 SER 106 1HB SER 106 8.911 -35.906 -8.124 814 HB3 SER 106 2HB SER 106 8.307 -36.685 -9.586 815 HG SER 106 HG SER 106 10.544 -36.491 -9.708 816 H GLY 107 H GLY 107 6.058 -34.845 -11.194 817 HA2 GLY 107 1HA GLY 107 4.155 -36.380 -9.993 818 HA3 GLY 107 2HA GLY 107 3.847 -34.773 -9.353 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.214 4.162 -30.900 2 HA2 GLY 1 1HA GLY 1 1.554 6.930 -30.542 3 HA3 GLY 1 2HA GLY 1 0.874 6.269 -32.021 4 H SER 2 H SER 2 -0.403 4.222 -31.749 5 HA SER 2 HA SER 2 -2.605 4.575 -30.187 6 HB2 SER 2 1HB SER 2 -1.342 2.056 -31.248 7 HB3 SER 2 2HB SER 2 -2.849 2.007 -30.333 8 HG SER 2 HG SER 2 -3.624 2.311 -32.293 9 H SER 3 H SER 3 -3.279 4.057 -28.151 10 HA SER 3 HA SER 3 -1.630 4.173 -26.009 11 HB2 SER 3 1HB SER 3 -4.286 2.795 -26.336 12 HB3 SER 3 2HB SER 3 -3.456 2.812 -24.780 13 HG SER 3 HG SER 3 -5.022 4.644 -25.621 14 H GLY 4 H GLY 4 -2.883 1.110 -27.351 15 HA2 GLY 4 1HA GLY 4 -1.950 -0.990 -27.411 16 HA3 GLY 4 2HA GLY 4 -0.401 -0.235 -27.069 17 H SER 5 H SER 5 0.503 -1.184 -25.375 18 HA SER 5 HA SER 5 -1.215 -1.872 -23.081 19 HB2 SER 5 1HB SER 5 -0.303 -3.884 -24.064 20 HB3 SER 5 2HB SER 5 1.323 -3.202 -24.055 21 HG SER 5 HG SER 5 -0.193 -3.568 -21.694 22 H SER 6 H SER 6 -0.974 0.136 -22.072 23 HA SER 6 HA SER 6 1.683 0.569 -20.886 24 HB2 SER 6 1HB SER 6 1.360 2.999 -21.058 25 HB3 SER 6 2HB SER 6 1.332 2.246 -22.653 26 HG SER 6 HG SER 6 -0.394 3.606 -22.599 27 H GLY 7 H GLY 7 1.647 1.726 -18.837 28 HA2 GLY 7 1HA GLY 7 -0.368 0.733 -17.102 29 HA3 GLY 7 2HA GLY 7 0.902 1.867 -16.667 30 H ALA 8 H ALA 8 -2.323 1.577 -18.049 31 HA ALA 8 HA ALA 8 -2.803 4.397 -18.129 32 HB1 ALA 8 1HB ALA 8 -5.012 3.855 -18.797 33 HB2 ALA 8 2HB ALA 8 -3.949 2.672 -19.561 34 HB3 ALA 8 3HB ALA 8 -4.886 2.225 -18.136 35 H GLU 9 H GLU 9 -3.688 1.771 -15.916 36 HA GLU 9 HA GLU 9 -5.281 3.329 -14.187 37 HB2 GLU 9 1HB GLU 9 -3.867 0.700 -13.940 38 HB3 GLU 9 2HB GLU 9 -4.582 1.438 -12.514 39 HG2 GLU 9 1HG GLU 9 -6.735 1.223 -13.315 40 HG3 GLU 9 2HG GLU 9 -6.209 1.103 -14.993 41 H SER 10 H SER 10 -4.365 5.215 -13.520 42 HA SER 10 HA SER 10 -2.584 5.153 -11.333 43 HB2 SER 10 1HB SER 10 -1.109 4.801 -13.501 44 HB3 SER 10 2HB SER 10 -1.284 6.551 -13.636 45 HG SER 10 HG SER 10 0.565 5.674 -12.369 46 H LEU 11 H LEU 11 -2.666 7.038 -10.200 47 HA LEU 11 HA LEU 11 -4.392 9.127 -11.302 48 HB2 LEU 11 1HB LEU 11 -4.147 9.910 -8.796 49 HB3 LEU 11 2HB LEU 11 -5.273 8.639 -9.267 50 HG LEU 11 HG LEU 11 -2.517 7.964 -8.300 51 HD11 LEU 11 1HD1 LEU 11 -4.941 8.554 -6.612 52 HD12 LEU 11 2HD1 LEU 11 -3.383 9.378 -6.570 53 HD13 LEU 11 3HD1 LEU 11 -3.508 7.702 -6.038 54 HD21 LEU 11 1HD2 LEU 11 -3.250 5.889 -8.566 55 HD22 LEU 11 2HD2 LEU 11 -4.775 6.513 -9.196 56 HD23 LEU 11 3HD2 LEU 11 -4.594 6.204 -7.468 57 H SER 12 H SER 12 -1.322 8.812 -9.527 58 HA SER 12 HA SER 12 -0.399 11.263 -10.855 59 HB2 SER 12 1HB SER 12 0.495 12.174 -8.844 60 HB3 SER 12 2HB SER 12 -1.157 11.688 -8.461 61 HG SER 12 HG SER 12 0.979 10.983 -7.181 62 H GLY 13 H GLY 13 0.192 8.720 -11.732 63 HA2 GLY 13 1HA GLY 13 2.056 7.593 -12.491 64 HA3 GLY 13 2HA GLY 13 3.051 8.762 -11.635 65 H LEU 14 H LEU 14 0.572 6.606 -10.315 66 HA LEU 14 HA LEU 14 2.687 5.290 -8.740 67 HB2 LEU 14 1HB LEU 14 -0.047 6.226 -7.966 68 HB3 LEU 14 2HB LEU 14 0.723 4.902 -7.094 69 HG LEU 14 HG LEU 14 1.800 7.710 -7.349 70 HD11 LEU 14 1HD1 LEU 14 0.923 8.198 -5.322 71 HD12 LEU 14 2HD1 LEU 14 1.037 6.535 -4.746 72 HD13 LEU 14 3HD1 LEU 14 -0.277 7.006 -5.823 73 HD21 LEU 14 1HD2 LEU 14 2.827 5.282 -5.887 74 HD22 LEU 14 2HD2 LEU 14 3.410 6.924 -5.617 75 HD23 LEU 14 3HD2 LEU 14 3.621 6.162 -7.194 76 H SER 15 H SER 15 2.597 3.904 -10.773 77 HA SER 15 HA SER 15 0.339 2.073 -10.877 78 HB2 SER 15 1HB SER 15 1.484 1.123 -12.844 79 HB3 SER 15 2HB SER 15 1.299 2.871 -12.989 80 HG SER 15 HG SER 15 3.526 1.471 -13.133 81 H LEU 16 H LEU 16 0.572 1.021 -8.869 82 HA LEU 16 HA LEU 16 2.660 -0.074 -7.611 83 HB2 LEU 16 1HB LEU 16 -0.050 -1.236 -8.139 84 HB3 LEU 16 2HB LEU 16 1.133 -2.108 -7.168 85 HG LEU 16 HG LEU 16 0.087 0.648 -6.529 86 HD11 LEU 16 1HD1 LEU 16 -1.052 -0.615 -4.647 87 HD12 LEU 16 2HD1 LEU 16 -0.740 -2.079 -5.579 88 HD13 LEU 16 3HD1 LEU 16 -1.746 -0.800 -6.258 89 HD21 LEU 16 1HD2 LEU 16 2.248 -0.990 -5.490 90 HD22 LEU 16 2HD2 LEU 16 1.084 -0.538 -4.243 91 HD23 LEU 16 3HD2 LEU 16 1.878 0.711 -5.204 92 H LYS 17 H LYS 17 4.419 -0.866 -8.610 93 HA LYS 17 HA LYS 17 4.096 -2.869 -10.717 94 HB2 LYS 17 1HB LYS 17 5.619 -1.123 -11.298 95 HB3 LYS 17 2HB LYS 17 6.468 -1.266 -9.764 96 HG2 LYS 17 1HG LYS 17 7.921 -2.351 -11.145 97 HG3 LYS 17 2HG LYS 17 6.928 -3.707 -10.608 98 HD2 LYS 17 1HD LYS 17 5.623 -3.611 -12.636 99 HD3 LYS 17 2HD LYS 17 6.475 -2.155 -13.156 100 HE2 LYS 17 1HE LYS 17 7.641 -3.714 -14.343 101 HE3 LYS 17 2HE LYS 17 8.585 -3.722 -12.854 102 HZ1 LYS 17 1HZ LYS 17 6.352 -5.544 -12.844 103 HZ2 LYS 17 2HZ LYS 17 7.959 -5.799 -12.383 104 HZ3 LYS 17 3HZ LYS 17 7.520 -5.905 -14.013 105 H LEU 18 H LEU 18 4.686 -4.964 -10.500 106 HA LEU 18 HA LEU 18 5.249 -5.908 -7.815 107 HB2 LEU 18 1HB LEU 18 3.559 -7.061 -9.090 108 HB3 LEU 18 2HB LEU 18 4.701 -7.359 -10.399 109 HG LEU 18 HG LEU 18 6.001 -8.814 -8.852 110 HD11 LEU 18 1HD1 LEU 18 4.468 -9.624 -6.879 111 HD12 LEU 18 2HD1 LEU 18 3.813 -7.992 -7.009 112 HD13 LEU 18 3HD1 LEU 18 5.532 -8.229 -6.690 113 HD21 LEU 18 1HD2 LEU 18 4.045 -9.509 -10.437 114 HD22 LEU 18 2HD2 LEU 18 3.199 -9.843 -8.925 115 HD23 LEU 18 3HD2 LEU 18 4.713 -10.671 -9.290 116 H VAL 19 H VAL 19 7.349 -5.560 -7.295 117 HA VAL 19 HA VAL 19 9.498 -5.989 -9.142 118 HB VAL 19 HB VAL 19 9.267 -5.142 -6.310 119 HG11 VAL 19 1HG1 VAL 19 11.836 -5.350 -6.189 120 HG12 VAL 19 2HG1 VAL 19 10.855 -6.778 -5.853 121 HG13 VAL 19 3HG1 VAL 19 11.639 -6.595 -7.423 122 HG21 VAL 19 1HG2 VAL 19 11.381 -3.922 -7.780 123 HG22 VAL 19 2HG2 VAL 19 9.953 -4.009 -8.811 124 HG23 VAL 19 3HG2 VAL 19 9.859 -3.213 -7.239 125 H LYS 20 H LYS 20 8.731 -7.550 -6.024 126 HA LYS 20 HA LYS 20 9.808 -10.060 -7.128 127 HB2 LYS 20 1HB LYS 20 11.378 -9.112 -5.506 128 HB3 LYS 20 2HB LYS 20 10.098 -9.021 -4.303 129 HG2 LYS 20 1HG LYS 20 11.137 -10.946 -3.659 130 HG3 LYS 20 2HG LYS 20 9.922 -11.600 -4.759 131 HD2 LYS 20 1HD LYS 20 12.592 -10.826 -5.842 132 HD3 LYS 20 2HD LYS 20 12.438 -12.335 -4.939 133 HE2 LYS 20 1HE LYS 20 10.368 -12.677 -6.535 134 HE3 LYS 20 2HE LYS 20 11.256 -11.549 -7.559 135 HZ1 LYS 20 1HZ LYS 20 12.131 -13.507 -8.269 136 HZ2 LYS 20 2HZ LYS 20 11.936 -14.286 -6.780 137 HZ3 LYS 20 3HZ LYS 20 13.209 -13.194 -7.003 138 H LYS 21 H LYS 21 8.521 -11.791 -6.981 139 HA LYS 21 HA LYS 21 6.112 -11.570 -5.297 140 HB2 LYS 21 1HB LYS 21 5.506 -11.553 -7.633 141 HB3 LYS 21 2HB LYS 21 6.502 -12.968 -7.946 142 HG2 LYS 21 1HG LYS 21 5.001 -14.229 -6.360 143 HG3 LYS 21 2HG LYS 21 3.933 -12.823 -6.395 144 HD2 LYS 21 1HD LYS 21 3.190 -14.489 -7.999 145 HD3 LYS 21 2HD LYS 21 3.753 -13.042 -8.838 146 HE2 LYS 21 1HE LYS 21 5.774 -14.084 -9.478 147 HE3 LYS 21 2HE LYS 21 5.523 -15.425 -8.362 148 HZ1 LYS 21 1HZ LYS 21 5.039 -15.755 -10.857 149 HZ2 LYS 21 2HZ LYS 21 3.596 -14.934 -10.534 150 HZ3 LYS 21 3HZ LYS 21 3.946 -16.377 -9.725 151 H GLU 22 H GLU 22 6.796 -12.620 -3.478 152 HA GLU 22 HA GLU 22 7.863 -15.340 -3.799 153 HB2 GLU 22 1HB GLU 22 8.045 -13.320 -1.581 154 HB3 GLU 22 2HB GLU 22 8.346 -15.025 -1.275 155 HG2 GLU 22 1HG GLU 22 9.966 -14.743 -3.341 156 HG3 GLU 22 2HG GLU 22 9.944 -13.060 -2.816 157 HA PRO 23 HA PRO 23 4.206 -17.213 -2.260 158 HB2 PRO 23 1HB PRO 23 5.220 -19.300 -0.851 159 HB3 PRO 23 2HB PRO 23 5.230 -19.238 -2.618 160 HG2 PRO 23 1HG PRO 23 7.431 -18.614 -0.688 161 HG3 PRO 23 2HG PRO 23 7.501 -19.523 -2.209 162 HD2 PRO 23 1HD PRO 23 8.288 -16.939 -2.018 163 HD3 PRO 23 2HD PRO 23 7.566 -17.610 -3.494 164 H ARG 24 H ARG 24 6.681 -16.237 -0.003 165 HA ARG 24 HA ARG 24 4.613 -15.947 2.070 166 HB2 ARG 24 1HB ARG 24 7.461 -16.884 2.454 167 HB3 ARG 24 2HB ARG 24 6.376 -16.447 3.767 168 HG2 ARG 24 1HG ARG 24 4.885 -18.252 3.196 169 HG3 ARG 24 2HG ARG 24 5.858 -18.645 1.777 170 HD2 ARG 24 1HD ARG 24 6.455 -20.202 3.460 171 HD3 ARG 24 2HD ARG 24 7.783 -19.048 3.347 172 HE ARG 24 HE ARG 24 6.169 -18.056 5.316 173 HH11 ARG 24 2HH1 ARG 24 7.811 -21.073 4.749 174 HH12 ARG 24 1HH1 ARG 24 8.033 -21.419 6.432 175 HH21 ARG 24 2HH2 ARG 24 6.455 -18.501 7.535 176 HH22 ARG 24 1HH2 ARG 24 7.260 -19.956 8.016 177 H GLN 25 H GLN 25 6.124 -14.194 0.019 178 HA GLN 25 HA GLN 25 6.336 -11.907 1.756 179 HB2 GLN 25 1HB GLN 25 8.583 -12.931 1.955 180 HB3 GLN 25 2HB GLN 25 8.774 -12.806 0.211 181 HG2 GLN 25 1HG GLN 25 8.562 -10.356 0.398 182 HG3 GLN 25 2HG GLN 25 8.478 -10.525 2.151 183 HE21 GLN 25 1HE2 GLN 25 10.488 -10.116 -0.495 184 HE22 GLN 25 2HE2 GLN 25 12.003 -10.411 0.281 185 H LEU 26 H LEU 26 6.612 -9.895 0.556 186 HA LEU 26 HA LEU 26 6.329 -10.021 -2.329 187 HB2 LEU 26 1HB LEU 26 4.131 -9.266 -0.471 188 HB3 LEU 26 2HB LEU 26 4.296 -8.373 -1.981 189 HG LEU 26 HG LEU 26 3.839 -11.343 -1.699 190 HD11 LEU 26 1HD1 LEU 26 1.972 -9.526 -1.313 191 HD12 LEU 26 2HD1 LEU 26 1.647 -10.994 -2.234 192 HD13 LEU 26 3HD1 LEU 26 1.976 -9.479 -3.076 193 HD21 LEU 26 1HD2 LEU 26 4.761 -9.684 -3.929 194 HD22 LEU 26 2HD2 LEU 26 3.369 -10.700 -4.307 195 HD23 LEU 26 3HD2 LEU 26 4.855 -11.429 -3.695 196 H GLU 27 H GLU 27 7.266 -8.317 -3.286 197 HA GLU 27 HA GLU 27 7.732 -5.894 -1.687 198 HB2 GLU 27 1HB GLU 27 9.767 -7.382 -1.797 199 HB3 GLU 27 2HB GLU 27 9.788 -7.108 -3.534 200 HG2 GLU 27 1HG GLU 27 10.193 -4.780 -3.238 201 HG3 GLU 27 2HG GLU 27 9.927 -4.899 -1.500 202 H LEU 28 H LEU 28 6.965 -4.154 -2.670 203 HA LEU 28 HA LEU 28 6.776 -4.167 -5.611 204 HB2 LEU 28 1HB LEU 28 4.995 -2.535 -3.839 205 HB3 LEU 28 2HB LEU 28 4.752 -3.002 -5.520 206 HG LEU 28 HG LEU 28 4.654 -4.935 -3.208 207 HD11 LEU 28 1HD1 LEU 28 2.890 -3.083 -3.228 208 HD12 LEU 28 2HD1 LEU 28 2.326 -4.752 -3.164 209 HD13 LEU 28 3HD1 LEU 28 2.274 -3.862 -4.685 210 HD21 LEU 28 1HD2 LEU 28 5.015 -5.450 -5.852 211 HD22 LEU 28 2HD2 LEU 28 3.256 -5.498 -5.726 212 HD23 LEU 28 3HD2 LEU 28 4.243 -6.551 -4.711 213 H THR 29 H THR 29 6.581 -1.849 -6.488 214 HA THR 29 HA THR 29 8.016 0.155 -4.964 215 HB THR 29 HB THR 29 9.815 -1.239 -6.005 216 HG1 THR 29 1HG THR 29 10.915 0.568 -6.146 217 HG21 THR 29 1HG2 THR 29 10.135 -1.319 -8.339 218 HG22 THR 29 2HG2 THR 29 8.923 -0.072 -8.631 219 HG23 THR 29 3HG2 THR 29 8.425 -1.679 -8.102 220 H TRP 30 H TRP 30 6.886 1.946 -5.286 221 HA TRP 30 HA TRP 30 5.760 2.435 -7.966 222 HB2 TRP 30 1HB TRP 30 4.006 3.786 -6.790 223 HB3 TRP 30 2HB TRP 30 3.953 2.064 -6.424 224 HD1 TRP 30 HD TRP 30 4.969 5.417 -4.828 225 HE1 TRP 30 1HE TRP 30 4.956 5.130 -2.270 226 HE3 TRP 30 3HE TRP 30 4.100 0.385 -4.579 227 HZ2 TRP 30 2HZ TRP 30 4.622 3.047 -0.395 228 HZ3 TRP 30 3HZ TRP 30 3.949 -0.678 -2.365 229 HH2 TRP 30 HH TRP 30 4.205 0.627 -0.317 230 H ALA 31 H ALA 31 7.016 3.886 -8.946 231 HA ALA 31 HA ALA 31 7.778 6.297 -7.434 232 HB1 ALA 31 1HB ALA 31 9.828 5.243 -7.671 233 HB2 ALA 31 2HB ALA 31 9.433 4.612 -9.271 234 HB3 ALA 31 3HB ALA 31 9.788 6.327 -9.062 235 H GLY 32 H GLY 32 7.457 5.010 -10.750 236 HA2 GLY 32 1HA GLY 32 6.819 6.052 -12.704 237 HA3 GLY 32 2HA GLY 32 5.540 6.712 -11.696 238 H SER 33 H SER 33 5.506 8.847 -11.296 239 HA SER 33 HA SER 33 7.813 10.419 -12.242 240 HB2 SER 33 1HB SER 33 6.275 12.190 -12.837 241 HB3 SER 33 2HB SER 33 5.710 10.688 -13.568 242 HG SER 33 HG SER 33 3.918 11.007 -12.542 243 H ARG 34 H ARG 34 8.628 12.031 -10.971 244 HA ARG 34 HA ARG 34 7.416 12.352 -8.305 245 HB2 ARG 34 1HB ARG 34 9.407 11.061 -8.012 246 HB3 ARG 34 2HB ARG 34 10.328 12.131 -9.060 247 HG2 ARG 34 1HG ARG 34 9.629 13.918 -7.238 248 HG3 ARG 34 2HG ARG 34 9.523 12.474 -6.229 249 HD2 ARG 34 1HD ARG 34 11.932 13.062 -7.924 250 HD3 ARG 34 2HD ARG 34 11.758 13.711 -6.294 251 HE ARG 34 HE ARG 34 11.316 11.008 -6.064 252 HH11 ARG 34 2HH1 ARG 34 13.905 13.052 -7.175 253 HH12 ARG 34 1HH1 ARG 34 15.153 11.933 -6.734 254 HH21 ARG 34 2HH2 ARG 34 12.949 9.527 -5.479 255 HH22 ARG 34 1HH2 ARG 34 14.607 9.928 -5.769 256 HA PRO 35 HA PRO 35 7.295 16.659 -9.226 257 HB2 PRO 35 1HB PRO 35 7.073 17.609 -6.692 258 HB3 PRO 35 2HB PRO 35 5.741 16.816 -7.541 259 HG2 PRO 35 1HG PRO 35 7.633 15.689 -5.513 260 HG3 PRO 35 2HG PRO 35 5.879 15.467 -5.652 261 HD2 PRO 35 1HD PRO 35 7.656 13.612 -6.509 262 HD3 PRO 35 2HD PRO 35 6.086 13.867 -7.299 263 H ARG 36 H ARG 36 8.864 18.070 -9.675 264 HA ARG 36 HA ARG 36 11.384 17.888 -8.191 265 HB2 ARG 36 1HB ARG 36 11.191 17.717 -10.772 266 HB3 ARG 36 2HB ARG 36 10.989 19.463 -10.717 267 HG2 ARG 36 1HG ARG 36 13.302 18.244 -9.298 268 HG3 ARG 36 2HG ARG 36 13.349 18.382 -11.057 269 HD2 ARG 36 1HD ARG 36 12.823 20.660 -9.151 270 HD3 ARG 36 2HD ARG 36 14.378 20.312 -9.904 271 HE ARG 36 HE ARG 36 12.279 20.612 -11.820 272 HH11 ARG 36 2HH1 ARG 36 14.528 22.346 -9.807 273 HH12 ARG 36 1HH1 ARG 36 14.559 23.748 -10.824 274 HH21 ARG 36 2HH2 ARG 36 12.311 22.452 -13.168 275 HH22 ARG 36 1HH2 ARG 36 13.297 23.808 -12.735 276 H ASN 37 H ASN 37 10.420 19.068 -6.382 277 HA ASN 37 HA ASN 37 11.079 21.832 -6.485 278 HB2 ASN 37 1HB ASN 37 8.946 22.839 -6.168 279 HB3 ASN 37 2HB ASN 37 8.781 21.773 -7.560 280 HD21 ASN 37 1HD2 ASN 37 7.112 20.456 -7.569 281 HD22 ASN 37 2HD2 ASN 37 6.186 19.980 -6.190 282 HA PRO 38 HA PRO 38 11.701 20.952 -2.217 283 HB2 PRO 38 1HB PRO 38 11.882 23.491 -1.275 284 HB3 PRO 38 2HB PRO 38 13.164 22.724 -2.220 285 HG2 PRO 38 1HG PRO 38 11.044 24.641 -3.109 286 HG3 PRO 38 2HG PRO 38 12.767 24.605 -3.528 287 HD2 PRO 38 1HD PRO 38 10.845 23.651 -5.181 288 HD3 PRO 38 2HD PRO 38 12.476 22.953 -5.110 289 H GLY 39 H GLY 39 10.289 20.359 -0.699 290 HA2 GLY 39 1HA GLY 39 8.066 22.149 -0.028 291 HA3 GLY 39 2HA GLY 39 7.681 20.510 -0.532 292 H GLY 40 H GLY 40 6.727 21.060 1.825 293 HA2 GLY 40 1HA GLY 40 8.423 20.855 4.053 294 HA3 GLY 40 2HA GLY 40 6.715 20.443 4.034 295 H ASN 41 H ASN 41 6.095 18.326 3.944 296 HA ASN 41 HA ASN 41 7.987 16.242 3.319 297 HB2 ASN 41 1HB ASN 41 7.879 15.134 5.496 298 HB3 ASN 41 2HB ASN 41 8.568 16.746 5.660 299 HD21 ASN 41 1HD2 ASN 41 7.252 18.418 6.529 300 HD22 ASN 41 2HD2 ASN 41 5.931 18.037 7.577 301 H LEU 42 H LEU 42 6.918 14.669 2.323 302 HA LEU 42 HA LEU 42 4.019 14.450 2.773 303 HB2 LEU 42 1HB LEU 42 5.756 13.946 0.389 304 HB3 LEU 42 2HB LEU 42 4.179 13.171 0.525 305 HG LEU 42 HG LEU 42 4.375 16.137 0.800 306 HD11 LEU 42 1HD1 LEU 42 3.769 15.795 -1.836 307 HD12 LEU 42 2HD1 LEU 42 5.035 14.592 -1.593 308 HD13 LEU 42 3HD1 LEU 42 5.343 16.286 -1.210 309 HD21 LEU 42 1HD2 LEU 42 2.237 15.248 1.249 310 HD22 LEU 42 2HD2 LEU 42 2.312 14.160 -0.137 311 HD23 LEU 42 3HD2 LEU 42 2.150 15.899 -0.388 312 H SER 43 H SER 43 3.229 12.129 2.127 313 HA SER 43 HA SER 43 5.047 10.036 3.007 314 HB2 SER 43 1HB SER 43 3.264 9.215 4.651 315 HB3 SER 43 2HB SER 43 4.203 10.625 5.141 316 HG SER 43 HG SER 43 2.171 11.256 5.508 317 H TYR 44 H TYR 44 3.664 7.875 3.105 318 HA TYR 44 HA TYR 44 1.763 7.857 0.865 319 HB2 TYR 44 1HB TYR 44 3.940 5.792 1.212 320 HB3 TYR 44 2HB TYR 44 2.813 5.940 -0.131 321 HD1 TYR 44 2HD TYR 44 2.916 8.287 -1.376 322 HD2 TYR 44 1HD TYR 44 6.077 6.616 0.931 323 HE1 TYR 44 2HE TYR 44 4.533 9.693 -2.583 324 HE2 TYR 44 1HE TYR 44 7.702 8.019 -0.269 325 HH TYR 44 HH TYR 44 7.286 9.354 -3.041 326 H GLU 45 H GLU 45 -0.024 6.705 1.242 327 HA GLU 45 HA GLU 45 -0.135 5.120 3.705 328 HB2 GLU 45 1HB GLU 45 -1.773 7.004 3.285 329 HB3 GLU 45 2HB GLU 45 -2.456 6.018 1.999 330 HG2 GLU 45 1HG GLU 45 -3.603 5.961 4.267 331 HG3 GLU 45 2HG GLU 45 -3.263 4.418 3.485 332 H LEU 46 H LEU 46 -0.072 2.983 3.589 333 HA LEU 46 HA LEU 46 -0.756 1.689 1.036 334 HB2 LEU 46 1HB LEU 46 1.570 1.505 2.278 335 HB3 LEU 46 2HB LEU 46 0.717 0.262 3.191 336 HG LEU 46 HG LEU 46 2.047 -0.665 1.344 337 HD11 LEU 46 1HD1 LEU 46 -0.777 -1.084 0.517 338 HD12 LEU 46 2HD1 LEU 46 -0.310 -1.507 2.164 339 HD13 LEU 46 3HD1 LEU 46 0.508 -2.259 0.795 340 HD21 LEU 46 1HD2 LEU 46 0.381 0.006 -0.856 341 HD22 LEU 46 2HD2 LEU 46 2.104 0.320 -0.641 342 HD23 LEU 46 3HD2 LEU 46 0.916 1.503 -0.092 343 H HIS 47 H HIS 47 -2.387 0.268 0.933 344 HA HIS 47 HA HIS 47 -3.538 -0.734 3.446 345 HB2 HIS 47 1HB HIS 47 -4.857 1.196 2.511 346 HB3 HIS 47 2HB HIS 47 -5.187 0.203 1.094 347 HD1 HIS 47 1HD HIS 47 -7.741 0.478 1.793 348 HD2 HIS 47 2HD HIS 47 -5.387 -1.739 4.401 349 HE1 HIS 47 1HE HIS 47 -9.357 -0.778 3.254 350 HE2 HIS 47 2HE HIS 47 -7.910 -2.046 4.880 351 H VAL 48 H VAL 48 -3.154 -2.854 3.381 352 HA VAL 48 HA VAL 48 -3.474 -4.282 0.832 353 HB VAL 48 HB VAL 48 -2.116 -5.181 3.377 354 HG11 VAL 48 1HG1 VAL 48 -2.783 -7.172 2.436 355 HG12 VAL 48 2HG1 VAL 48 -2.702 -6.545 0.788 356 HG13 VAL 48 3HG1 VAL 48 -1.218 -6.936 1.659 357 HG21 VAL 48 1HG2 VAL 48 -1.060 -3.341 1.908 358 HG22 VAL 48 2HG2 VAL 48 -0.067 -4.720 2.379 359 HG23 VAL 48 3HG2 VAL 48 -0.761 -4.646 0.759 360 H LEU 49 H LEU 49 -4.912 -5.931 0.594 361 HA LEU 49 HA LEU 49 -6.613 -6.574 2.912 362 HB2 LEU 49 1HB LEU 49 -7.521 -6.326 0.049 363 HB3 LEU 49 2HB LEU 49 -8.533 -6.695 1.444 364 HG LEU 49 HG LEU 49 -7.593 -4.325 2.236 365 HD11 LEU 49 1HD1 LEU 49 -6.989 -2.877 0.600 366 HD12 LEU 49 2HD1 LEU 49 -7.948 -3.693 -0.634 367 HD13 LEU 49 3HD1 LEU 49 -6.394 -4.363 -0.139 368 HD21 LEU 49 1HD2 LEU 49 -9.848 -4.582 0.255 369 HD22 LEU 49 2HD2 LEU 49 -9.671 -3.379 1.533 370 HD23 LEU 49 3HD2 LEU 49 -9.959 -5.070 1.947 371 H ASN 50 H ASN 50 -6.851 -8.675 3.346 372 HA ASN 50 HA ASN 50 -5.715 -10.603 1.451 373 HB2 ASN 50 1HB ASN 50 -4.658 -11.084 3.421 374 HB3 ASN 50 2HB ASN 50 -5.994 -10.497 4.406 375 HD21 ASN 50 1HD2 ASN 50 -4.488 -13.203 3.010 376 HD22 ASN 50 2HD2 ASN 50 -5.622 -14.398 3.529 377 H GLN 51 H GLN 51 -6.802 -12.828 1.545 378 HA GLN 51 HA GLN 51 -9.182 -12.877 0.311 379 HB2 GLN 51 1HB GLN 51 -7.918 -14.819 2.199 380 HB3 GLN 51 2HB GLN 51 -9.547 -15.137 1.619 381 HG2 GLN 51 1HG GLN 51 -7.277 -14.560 -0.252 382 HG3 GLN 51 2HG GLN 51 -7.621 -16.185 0.340 383 HE21 GLN 51 1HE2 GLN 51 -8.622 -13.621 -1.738 384 HE22 GLN 51 2HE2 GLN 51 -9.883 -14.481 -2.547 385 H ASP 52 H ASP 52 -9.052 -13.608 3.799 386 HA ASP 52 HA ASP 52 -11.684 -12.307 4.062 387 HB2 ASP 52 1HB ASP 52 -10.595 -14.839 5.195 388 HB3 ASP 52 2HB ASP 52 -11.697 -13.899 6.198 389 H GLU 53 H GLU 53 -9.225 -10.905 4.259 390 HA GLU 53 HA GLU 53 -9.538 -9.816 6.924 391 HB2 GLU 53 1HB GLU 53 -7.005 -11.143 5.996 392 HB3 GLU 53 2HB GLU 53 -6.971 -9.860 7.197 393 HG2 GLU 53 1HG GLU 53 -8.436 -12.478 7.431 394 HG3 GLU 53 2HG GLU 53 -6.945 -12.034 8.258 395 H GLU 54 H GLU 54 -8.229 -7.805 7.202 396 HA GLU 54 HA GLU 54 -7.204 -6.550 4.819 397 HB2 GLU 54 1HB GLU 54 -9.471 -6.074 4.351 398 HB3 GLU 54 2HB GLU 54 -9.825 -5.709 6.034 399 HG2 GLU 54 1HG GLU 54 -8.049 -3.804 5.636 400 HG3 GLU 54 2HG GLU 54 -8.534 -4.028 3.957 401 H TRP 55 H TRP 55 -5.605 -5.217 5.366 402 HA TRP 55 HA TRP 55 -5.692 -3.786 7.904 403 HB2 TRP 55 1HB TRP 55 -3.611 -4.592 8.711 404 HB3 TRP 55 2HB TRP 55 -4.526 -6.022 8.242 405 HD1 TRP 55 HD TRP 55 -1.556 -3.871 7.083 406 HE1 TRP 55 1HE TRP 55 -0.102 -5.284 5.497 407 HE3 TRP 55 3HE TRP 55 -4.552 -7.995 6.696 408 HZ2 TRP 55 2HZ TRP 55 -0.212 -7.813 4.247 409 HZ3 TRP 55 3HZ TRP 55 -3.805 -9.867 5.284 410 HH2 TRP 55 HH TRP 55 -1.680 -9.776 4.086 411 H HIS 56 H HIS 56 -4.284 -1.983 8.002 412 HA HIS 56 HA HIS 56 -3.050 -1.239 5.434 413 HB2 HIS 56 1HB HIS 56 -3.713 1.175 6.214 414 HB3 HIS 56 2HB HIS 56 -4.898 0.155 5.403 415 HD1 HIS 56 1HD HIS 56 -6.943 1.184 6.500 416 HD2 HIS 56 2HD HIS 56 -4.153 -0.228 9.235 417 HE1 HIS 56 1HE HIS 56 -8.095 1.257 8.734 418 HE2 HIS 56 2HE HIS 56 -6.360 0.479 10.385 419 H GLN 57 H GLN 57 -1.155 -0.038 5.529 420 HA GLN 57 HA GLN 57 -0.068 0.654 8.142 421 HB2 GLN 57 1HB GLN 57 2.008 -0.556 7.783 422 HB3 GLN 57 2HB GLN 57 0.649 -1.672 7.745 423 HG2 GLN 57 1HG GLN 57 0.730 -1.443 5.217 424 HG3 GLN 57 2HG GLN 57 2.294 -0.663 5.450 425 HE21 GLN 57 1HE2 GLN 57 3.900 -2.001 5.100 426 HE22 GLN 57 2HE2 GLN 57 3.945 -3.679 5.509 427 H MET 58 H MET 58 0.499 2.709 7.923 428 HA MET 58 HA MET 58 1.060 3.910 5.403 429 HB2 MET 58 1HB MET 58 0.034 5.214 7.165 430 HB3 MET 58 2HB MET 58 1.410 4.935 8.224 431 HG2 MET 58 1HG MET 58 1.902 6.241 5.605 432 HG3 MET 58 2HG MET 58 1.116 7.178 6.873 433 HE1 MET 58 1HE MET 58 3.681 7.282 5.158 434 HE2 MET 58 2HE MET 58 4.382 8.462 6.265 435 HE3 MET 58 3HE MET 58 5.215 6.938 5.957 436 H VAL 59 H VAL 59 2.941 4.199 4.377 437 HA VAL 59 HA VAL 59 5.423 3.564 5.837 438 HB VAL 59 HB VAL 59 6.363 2.758 3.697 439 HG11 VAL 59 1HG1 VAL 59 4.156 1.486 5.151 440 HG12 VAL 59 2HG1 VAL 59 4.485 0.797 3.561 441 HG13 VAL 59 3HG1 VAL 59 5.767 0.877 4.770 442 HG21 VAL 59 1HG2 VAL 59 3.929 2.256 2.291 443 HG22 VAL 59 2HG2 VAL 59 4.059 3.984 2.618 444 HG23 VAL 59 3HG2 VAL 59 5.353 3.149 1.757 445 H LEU 60 H LEU 60 7.304 4.726 5.255 446 HA LEU 60 HA LEU 60 6.723 7.402 4.250 447 HB2 LEU 60 1HB LEU 60 9.193 6.282 5.565 448 HB3 LEU 60 2HB LEU 60 8.954 7.969 5.114 449 HG LEU 60 HG LEU 60 7.151 6.570 7.071 450 HD11 LEU 60 1HD1 LEU 60 9.615 8.174 7.732 451 HD12 LEU 60 2HD1 LEU 60 9.497 6.418 7.843 452 HD13 LEU 60 3HD1 LEU 60 8.489 7.435 8.872 453 HD21 LEU 60 1HD2 LEU 60 6.362 8.665 6.056 454 HD22 LEU 60 2HD2 LEU 60 7.817 9.479 6.630 455 HD23 LEU 60 3HD2 LEU 60 6.653 8.832 7.788 456 H GLU 61 H GLU 61 8.378 4.499 3.347 457 HA GLU 61 HA GLU 61 9.873 5.802 1.222 458 HB2 GLU 61 1HB GLU 61 10.645 3.466 0.723 459 HB3 GLU 61 2HB GLU 61 11.034 4.039 2.338 460 HG2 GLU 61 1HG GLU 61 8.517 2.513 1.968 461 HG3 GLU 61 2HG GLU 61 10.045 1.635 1.910 462 HA PRO 62 HA PRO 62 6.964 5.156 -2.000 463 HB2 PRO 62 1HB PRO 62 8.612 4.705 -4.110 464 HB3 PRO 62 2HB PRO 62 8.411 6.298 -3.371 465 HG2 PRO 62 1HG PRO 62 10.589 4.284 -2.968 466 HG3 PRO 62 2HG PRO 62 10.713 6.042 -3.163 467 HD2 PRO 62 1HD PRO 62 10.852 4.832 -0.745 468 HD3 PRO 62 2HD PRO 62 10.160 6.452 -0.964 469 H ARG 63 H ARG 63 8.693 2.685 -0.684 470 HA ARG 63 HA ARG 63 7.366 0.699 -2.406 471 HB2 ARG 63 1HB ARG 63 9.276 -0.827 -1.994 472 HB3 ARG 63 2HB ARG 63 9.733 0.612 -2.895 473 HG2 ARG 63 1HG ARG 63 11.455 0.458 -1.395 474 HG3 ARG 63 2HG ARG 63 10.356 1.540 -0.537 475 HD2 ARG 63 1HD ARG 63 9.596 -0.193 0.875 476 HD3 ARG 63 2HD ARG 63 10.318 -1.439 -0.142 477 HE ARG 63 HE ARG 63 12.460 -0.010 0.646 478 HH11 ARG 63 2HH1 ARG 63 9.795 -1.422 2.386 479 HH12 ARG 63 1HH1 ARG 63 10.714 -1.697 3.829 480 HH21 ARG 63 2HH2 ARG 63 13.680 -0.367 2.540 481 HH22 ARG 63 1HH2 ARG 63 12.923 -1.096 3.916 482 H VAL 64 H VAL 64 7.643 -1.566 -1.104 483 HA VAL 64 HA VAL 64 7.314 -1.357 1.731 484 HB VAL 64 HB VAL 64 5.111 -0.537 1.050 485 HG11 VAL 64 1HG1 VAL 64 3.600 -1.778 -0.277 486 HG12 VAL 64 2HG1 VAL 64 5.134 -1.792 -1.148 487 HG13 VAL 64 3HG1 VAL 64 4.624 -3.213 -0.235 488 HG21 VAL 64 1HG2 VAL 64 4.862 -1.586 3.061 489 HG22 VAL 64 2HG2 VAL 64 3.787 -2.585 2.083 490 HG23 VAL 64 3HG2 VAL 64 5.421 -3.142 2.446 491 H LEU 65 H LEU 65 7.690 -3.278 2.699 492 HA LEU 65 HA LEU 65 7.870 -5.642 0.950 493 HB2 LEU 65 1HB LEU 65 9.974 -4.622 2.041 494 HB3 LEU 65 2HB LEU 65 9.361 -5.334 3.531 495 HG LEU 65 HG LEU 65 11.090 -6.705 2.406 496 HD11 LEU 65 1HD1 LEU 65 10.025 -8.769 2.784 497 HD12 LEU 65 2HD1 LEU 65 8.439 -8.118 2.372 498 HD13 LEU 65 3HD1 LEU 65 9.232 -7.623 3.866 499 HD21 LEU 65 1HD2 LEU 65 9.013 -7.241 0.297 500 HD22 LEU 65 2HD2 LEU 65 10.693 -7.777 0.337 501 HD23 LEU 65 3HD2 LEU 65 10.316 -6.072 0.084 502 H LEU 66 H LEU 66 6.114 -6.856 1.269 503 HA LEU 66 HA LEU 66 4.945 -7.064 3.934 504 HB2 LEU 66 1HB LEU 66 3.980 -8.294 1.360 505 HB3 LEU 66 2HB LEU 66 3.078 -8.129 2.865 506 HG LEU 66 HG LEU 66 4.010 -5.769 1.242 507 HD11 LEU 66 1HD1 LEU 66 1.700 -5.646 0.402 508 HD12 LEU 66 2HD1 LEU 66 1.364 -7.210 1.143 509 HD13 LEU 66 3HD1 LEU 66 2.547 -7.088 -0.159 510 HD21 LEU 66 1HD2 LEU 66 1.765 -5.942 3.233 511 HD22 LEU 66 2HD2 LEU 66 2.539 -4.501 2.573 512 HD23 LEU 66 3HD2 LEU 66 3.417 -5.537 3.699 513 H THR 67 H THR 67 4.967 -8.871 5.166 514 HA THR 67 HA THR 67 6.201 -11.294 4.041 515 HB THR 67 HB THR 67 7.331 -11.658 6.245 516 HG1 THR 67 1HG THR 67 6.870 -10.316 7.803 517 HG21 THR 67 1HG2 THR 67 8.046 -9.820 4.151 518 HG22 THR 67 2HG2 THR 67 9.078 -10.907 5.081 519 HG23 THR 67 3HG2 THR 67 8.730 -9.288 5.687 520 H LYS 68 H LYS 68 6.035 -13.039 6.016 521 HA LYS 68 HA LYS 68 4.582 -14.538 6.937 522 HB2 LYS 68 1HB LYS 68 3.818 -11.895 8.097 523 HB3 LYS 68 2HB LYS 68 2.802 -13.288 8.445 524 HG2 LYS 68 1HG LYS 68 4.539 -14.416 9.549 525 HG3 LYS 68 2HG LYS 68 5.768 -13.329 8.898 526 HD2 LYS 68 1HD LYS 68 3.573 -12.419 10.751 527 HD3 LYS 68 2HD LYS 68 5.152 -12.966 11.319 528 HE2 LYS 68 1HE LYS 68 6.218 -11.218 9.944 529 HE3 LYS 68 2HE LYS 68 4.621 -10.652 9.457 530 HZ1 LYS 68 1HZ LYS 68 5.937 -10.457 12.081 531 HZ2 LYS 68 2HZ LYS 68 4.248 -10.471 11.997 532 HZ3 LYS 68 3HZ LYS 68 5.124 -9.263 11.200 533 H LEU 69 H LEU 69 3.945 -14.186 4.350 534 HA LEU 69 HA LEU 69 1.023 -13.857 4.292 535 HB2 LEU 69 1HB LEU 69 2.934 -13.896 1.964 536 HB3 LEU 69 2HB LEU 69 1.217 -13.501 1.918 537 HG LEU 69 HG LEU 69 3.324 -11.861 3.323 538 HD11 LEU 69 1HD1 LEU 69 2.296 -10.373 1.248 539 HD12 LEU 69 2HD1 LEU 69 2.488 -11.977 0.542 540 HD13 LEU 69 3HD1 LEU 69 3.871 -11.167 1.278 541 HD21 LEU 69 1HD2 LEU 69 1.566 -10.177 3.471 542 HD22 LEU 69 2HD2 LEU 69 1.093 -11.660 4.300 543 HD23 LEU 69 3HD2 LEU 69 0.427 -11.287 2.709 544 H GLN 70 H GLN 70 0.240 -15.243 2.174 545 HA GLN 70 HA GLN 70 1.116 -18.004 2.714 546 HB2 GLN 70 1HB GLN 70 -1.638 -16.909 2.167 547 HB3 GLN 70 2HB GLN 70 -1.258 -18.618 2.008 548 HG2 GLN 70 1HG GLN 70 -1.225 -16.927 4.484 549 HG3 GLN 70 2HG GLN 70 -2.200 -18.356 4.142 550 HE21 GLN 70 1HE2 GLN 70 0.548 -17.198 5.636 551 HE22 GLN 70 2HE2 GLN 70 1.347 -18.702 5.927 552 HA PRO 71 HA PRO 71 2.116 -18.325 -1.559 553 HB2 PRO 71 1HB PRO 71 1.975 -21.022 -1.833 554 HB3 PRO 71 2HB PRO 71 3.297 -20.211 -0.986 555 HG2 PRO 71 1HG PRO 71 0.867 -21.550 0.137 556 HG3 PRO 71 2HG PRO 71 2.548 -21.630 0.697 557 HD2 PRO 71 1HD PRO 71 0.693 -20.049 1.876 558 HD3 PRO 71 2HD PRO 71 2.411 -19.607 1.793 559 H ASP 72 H ASP 72 1.173 -18.652 -3.574 560 HA ASP 72 HA ASP 72 -0.565 -18.608 -5.052 561 HB2 ASP 72 1HB ASP 72 -0.282 -21.036 -4.769 562 HB3 ASP 72 2HB ASP 72 -1.423 -21.012 -3.428 563 H THR 73 H THR 73 -0.985 -16.693 -3.262 564 HA THR 73 HA THR 73 -3.889 -16.791 -2.851 565 HB THR 73 HB THR 73 -1.872 -15.870 -0.798 566 HG1 THR 73 1HG THR 73 -3.697 -18.014 -1.005 567 HG21 THR 73 1HG2 THR 73 -3.482 -14.271 -0.473 568 HG22 THR 73 2HG2 THR 73 -4.161 -15.575 0.502 569 HG23 THR 73 3HG2 THR 73 -4.771 -15.281 -1.125 570 H THR 74 H THR 74 -4.951 -14.941 -3.350 571 HA THR 74 HA THR 74 -3.440 -12.865 -4.681 572 HB THR 74 HB THR 74 -6.427 -13.009 -4.238 573 HG1 THR 74 1HG THR 74 -4.869 -13.906 -6.454 574 HG21 THR 74 1HG2 THR 74 -6.412 -11.589 -6.331 575 HG22 THR 74 2HG2 THR 74 -4.677 -11.394 -6.085 576 HG23 THR 74 3HG2 THR 74 -5.812 -10.803 -4.872 577 H TYR 75 H TYR 75 -2.693 -11.121 -3.688 578 HA TYR 75 HA TYR 75 -4.095 -10.162 -1.279 579 HB2 TYR 75 1HB TYR 75 -1.156 -10.292 -1.914 580 HB3 TYR 75 2HB TYR 75 -1.781 -9.186 -0.695 581 HD1 TYR 75 2HD TYR 75 -2.920 -10.101 1.326 582 HD2 TYR 75 1HD TYR 75 -0.923 -12.616 -1.466 583 HE1 TYR 75 2HE TYR 75 -2.870 -11.906 2.996 584 HE2 TYR 75 1HE TYR 75 -0.869 -14.428 0.196 585 HH TYR 75 HH TYR 75 -1.221 -14.060 3.329 586 H ILE 76 H ILE 76 -5.149 -8.344 -1.689 587 HA ILE 76 HA ILE 76 -4.505 -6.658 -3.913 588 HB ILE 76 HB ILE 76 -6.404 -6.025 -1.658 589 HG12 ILE 76 1HG1 ILE 76 -6.933 -8.232 -2.605 590 HG13 ILE 76 2HG1 ILE 76 -8.163 -7.047 -3.026 591 HG21 ILE 76 1HG2 ILE 76 -5.981 -4.972 -4.427 592 HG22 ILE 76 2HG2 ILE 76 -7.555 -4.840 -3.644 593 HG23 ILE 76 3HG2 ILE 76 -6.139 -4.089 -2.909 594 HD11 ILE 76 1HD1 ILE 76 -5.968 -8.071 -4.808 595 HD12 ILE 76 2HD1 ILE 76 -7.691 -8.430 -4.927 596 HD13 ILE 76 3HD1 ILE 76 -7.107 -6.796 -5.240 597 H VAL 77 H VAL 77 -3.555 -4.667 -3.936 598 HA VAL 77 HA VAL 77 -2.684 -3.491 -1.400 599 HB VAL 77 HB VAL 77 -0.773 -3.868 -3.705 600 HG11 VAL 77 1HG1 VAL 77 -0.627 -1.965 -1.885 601 HG12 VAL 77 2HG1 VAL 77 0.054 -3.268 -0.910 602 HG13 VAL 77 3HG1 VAL 77 0.815 -2.818 -2.436 603 HG21 VAL 77 1HG2 VAL 77 -1.136 -5.486 -1.194 604 HG22 VAL 77 2HG2 VAL 77 -1.154 -6.050 -2.865 605 HG23 VAL 77 3HG2 VAL 77 0.355 -5.499 -2.137 606 H ARG 78 H ARG 78 -2.719 -1.308 -1.379 607 HA ARG 78 HA ARG 78 -2.831 0.158 -3.902 608 HB2 ARG 78 1HB ARG 78 -4.803 1.463 -3.079 609 HB3 ARG 78 2HB ARG 78 -5.158 -0.214 -3.472 610 HG2 ARG 78 1HG ARG 78 -4.997 -0.765 -1.064 611 HG3 ARG 78 2HG ARG 78 -4.780 0.954 -0.724 612 HD2 ARG 78 1HD ARG 78 -7.045 0.727 -0.412 613 HD3 ARG 78 2HD ARG 78 -6.984 1.199 -2.110 614 HE ARG 78 HE ARG 78 -6.911 -1.626 -1.827 615 HH11 ARG 78 2HH1 ARG 78 -9.052 1.117 -1.696 616 HH12 ARG 78 1HH1 ARG 78 -10.459 0.204 -2.130 617 HH21 ARG 78 2HH2 ARG 78 -8.756 -2.838 -2.400 618 HH22 ARG 78 1HH2 ARG 78 -10.290 -2.046 -2.530 619 H VAL 79 H VAL 79 -1.622 1.935 -3.810 620 HA VAL 79 HA VAL 79 -1.060 3.117 -1.170 621 HB VAL 79 HB VAL 79 0.846 1.764 -2.307 622 HG11 VAL 79 1HG1 VAL 79 2.021 2.705 -4.047 623 HG12 VAL 79 2HG1 VAL 79 0.367 3.142 -4.480 624 HG13 VAL 79 3HG1 VAL 79 1.423 4.330 -3.715 625 HG21 VAL 79 1HG2 VAL 79 2.200 2.839 -0.885 626 HG22 VAL 79 2HG2 VAL 79 1.956 4.393 -1.683 627 HG23 VAL 79 3HG2 VAL 79 0.787 3.819 -0.494 628 H ARG 80 H ARG 80 -0.152 5.384 -1.384 629 HA ARG 80 HA ARG 80 -0.747 6.884 -3.738 630 HB2 ARG 80 1HB ARG 80 -2.627 8.128 -3.021 631 HB3 ARG 80 2HB ARG 80 -3.029 6.444 -2.714 632 HG2 ARG 80 1HG ARG 80 -2.892 6.684 -0.431 633 HG3 ARG 80 2HG ARG 80 -1.820 8.082 -0.537 634 HD2 ARG 80 1HD ARG 80 -4.631 8.225 -1.560 635 HD3 ARG 80 2HD ARG 80 -4.287 8.437 0.157 636 HE ARG 80 HE ARG 80 -3.183 10.440 -0.330 637 HH11 ARG 80 2HH1 ARG 80 -4.360 8.873 -3.207 638 HH12 ARG 80 1HH1 ARG 80 -4.182 10.279 -4.203 639 HH21 ARG 80 2HH2 ARG 80 -2.945 12.299 -1.630 640 HH22 ARG 80 1HH2 ARG 80 -3.377 12.227 -3.305 641 H THR 81 H THR 81 -0.894 9.387 -2.932 642 HA THR 81 HA THR 81 1.451 9.726 -1.182 643 HB THR 81 HB THR 81 0.447 11.519 -3.401 644 HG1 THR 81 1HG THR 81 1.572 9.681 -4.147 645 HG21 THR 81 1HG2 THR 81 2.042 12.135 -1.119 646 HG22 THR 81 2HG2 THR 81 1.601 13.180 -2.470 647 HG23 THR 81 3HG2 THR 81 3.065 12.200 -2.553 648 H LEU 82 H LEU 82 0.186 9.771 0.732 649 HA LEU 82 HA LEU 82 -2.047 11.183 1.339 650 HB2 LEU 82 1HB LEU 82 0.388 10.472 2.871 651 HB3 LEU 82 2HB LEU 82 -0.702 11.653 3.595 652 HG LEU 82 HG LEU 82 -1.554 8.901 2.703 653 HD11 LEU 82 1HD1 LEU 82 -1.607 9.170 5.515 654 HD12 LEU 82 2HD1 LEU 82 -0.003 9.657 4.968 655 HD13 LEU 82 3HD1 LEU 82 -0.636 8.068 4.538 656 HD21 LEU 82 1HD2 LEU 82 -3.362 10.513 2.782 657 HD22 LEU 82 2HD2 LEU 82 -2.887 11.003 4.408 658 HD23 LEU 82 3HD2 LEU 82 -3.506 9.376 4.123 659 H THR 83 H THR 83 -2.563 13.263 2.034 660 HA THR 83 HA THR 83 -0.523 15.327 1.521 661 HB THR 83 HB THR 83 -1.987 16.676 0.326 662 HG1 THR 83 1HG THR 83 -3.951 15.297 1.756 663 HG21 THR 83 1HG2 THR 83 -1.731 14.008 -0.489 664 HG22 THR 83 2HG2 THR 83 -2.118 15.401 -1.499 665 HG23 THR 83 3HG2 THR 83 -3.414 14.437 -0.792 666 HA PRO 84 HA PRO 84 -1.511 16.980 5.470 667 HB2 PRO 84 1HB PRO 84 -0.984 19.611 5.058 668 HB3 PRO 84 2HB PRO 84 0.283 18.386 5.188 669 HG2 PRO 84 1HG PRO 84 -0.908 19.627 2.738 670 HG3 PRO 84 2HG PRO 84 0.792 19.277 3.101 671 HD2 PRO 84 1HD PRO 84 -0.716 17.685 1.512 672 HD3 PRO 84 2HD PRO 84 0.583 17.050 2.541 673 H LEU 85 H LEU 85 -2.844 18.783 2.710 674 HA LEU 85 HA LEU 85 -5.298 19.206 4.283 675 HB2 LEU 85 1HB LEU 85 -3.807 21.089 2.496 676 HB3 LEU 85 2HB LEU 85 -5.540 21.279 2.754 677 HG LEU 85 HG LEU 85 -3.579 21.218 5.033 678 HD11 LEU 85 1HD1 LEU 85 -4.248 23.423 3.161 679 HD12 LEU 85 2HD1 LEU 85 -2.744 23.076 4.013 680 HD13 LEU 85 3HD1 LEU 85 -4.099 23.804 4.877 681 HD21 LEU 85 1HD2 LEU 85 -5.335 21.681 6.346 682 HD22 LEU 85 2HD2 LEU 85 -6.298 21.059 5.005 683 HD23 LEU 85 3HD2 LEU 85 -6.042 22.796 5.177 684 H GLY 86 H GLY 86 -6.498 17.557 3.436 685 HA2 GLY 86 1HA GLY 86 -8.099 16.815 1.912 686 HA3 GLY 86 2HA GLY 86 -7.461 17.946 0.729 687 HA PRO 87 HA PRO 87 -4.812 13.857 0.658 688 HB2 PRO 87 1HB PRO 87 -6.169 11.663 1.504 689 HB3 PRO 87 2HB PRO 87 -5.162 12.643 2.577 690 HG2 PRO 87 1HG PRO 87 -8.133 12.676 2.213 691 HG3 PRO 87 2HG PRO 87 -7.189 12.750 3.712 692 HD2 PRO 87 1HD PRO 87 -8.273 14.950 2.563 693 HD3 PRO 87 2HD PRO 87 -6.749 15.000 3.472 694 H GLY 88 H GLY 88 -4.872 12.152 -0.933 695 HA2 GLY 88 1HA GLY 88 -7.072 12.533 -2.831 696 HA3 GLY 88 2HA GLY 88 -5.500 11.837 -3.197 697 HA PRO 89 HA PRO 89 -8.792 8.507 -2.614 698 HB2 PRO 89 1HB PRO 89 -8.756 7.568 -5.161 699 HB3 PRO 89 2HB PRO 89 -9.833 8.865 -4.631 700 HG2 PRO 89 1HG PRO 89 -7.227 9.047 -6.093 701 HG3 PRO 89 2HG PRO 89 -8.733 9.940 -6.374 702 HD2 PRO 89 1HD PRO 89 -6.633 11.008 -5.039 703 HD3 PRO 89 2HD PRO 89 -8.317 11.429 -4.665 704 H PHE 90 H PHE 90 -8.461 6.164 -2.943 705 HA PHE 90 HA PHE 90 -5.621 5.513 -2.713 706 HB2 PHE 90 1HB PHE 90 -8.153 4.270 -1.764 707 HB3 PHE 90 2HB PHE 90 -6.798 3.196 -2.091 708 HD1 PHE 90 2HD PHE 90 -4.593 3.670 -0.925 709 HD2 PHE 90 1HD PHE 90 -8.272 5.475 0.226 710 HE1 PHE 90 2HE PHE 90 -3.637 4.205 1.278 711 HE2 PHE 90 1HE PHE 90 -7.322 6.013 2.431 712 HZ PHE 90 HZ PHE 90 -5.002 5.377 2.960 713 H SER 91 H SER 91 -4.535 4.407 -4.214 714 HA SER 91 HA SER 91 -5.205 4.109 -6.794 715 HB2 SER 91 1HB SER 91 -3.355 2.759 -7.047 716 HB3 SER 91 2HB SER 91 -3.032 3.405 -5.439 717 HG SER 91 HG SER 91 -3.061 0.943 -5.975 718 HA PRO 92 HA PRO 92 -8.340 1.086 -7.328 719 HB2 PRO 92 1HB PRO 92 -7.618 -0.029 -9.695 720 HB3 PRO 92 2HB PRO 92 -8.293 1.599 -9.568 721 HG2 PRO 92 1HG PRO 92 -5.435 0.749 -9.836 722 HG3 PRO 92 2HG PRO 92 -6.289 2.075 -10.647 723 HD2 PRO 92 1HD PRO 92 -4.670 2.474 -8.513 724 HD3 PRO 92 2HD PRO 92 -6.102 3.477 -8.827 725 H ASP 93 H ASP 93 -8.732 -0.928 -6.623 726 HA ASP 93 HA ASP 93 -6.982 -2.543 -5.353 727 HB2 ASP 93 1HB ASP 93 -8.548 -4.376 -5.622 728 HB3 ASP 93 2HB ASP 93 -9.442 -2.874 -5.398 729 H HIS 94 H HIS 94 -5.045 -3.164 -6.074 730 HA HIS 94 HA HIS 94 -4.707 -4.027 -8.834 731 HB2 HIS 94 1HB HIS 94 -2.847 -3.332 -6.591 732 HB3 HIS 94 2HB HIS 94 -2.254 -4.305 -7.934 733 HD1 HIS 94 1HD HIS 94 -3.923 -0.945 -7.347 734 HD2 HIS 94 2HD HIS 94 -1.453 -2.855 -10.087 735 HE1 HIS 94 1HE HIS 94 -3.246 0.831 -8.993 736 HE2 HIS 94 2HE HIS 94 -1.821 -0.367 -10.690 737 H GLU 95 H GLU 95 -5.238 -6.064 -9.277 738 HA GLU 95 HA GLU 95 -5.315 -8.138 -7.341 739 HB2 GLU 95 1HB GLU 95 -6.652 -7.941 -9.525 740 HB3 GLU 95 2HB GLU 95 -5.216 -8.573 -10.318 741 HG2 GLU 95 1HG GLU 95 -5.389 -10.487 -8.597 742 HG3 GLU 95 2HG GLU 95 -7.044 -9.921 -8.378 743 H PHE 96 H PHE 96 -3.479 -8.789 -6.399 744 HA PHE 96 HA PHE 96 -1.219 -9.502 -8.151 745 HB2 PHE 96 1HB PHE 96 -1.223 -8.311 -5.382 746 HB3 PHE 96 2HB PHE 96 0.192 -9.117 -6.050 747 HD1 PHE 96 1HD PHE 96 0.520 -8.271 -8.685 748 HD2 PHE 96 2HD PHE 96 -1.036 -6.035 -5.414 749 HE1 PHE 96 1HE PHE 96 1.183 -6.181 -9.802 750 HE2 PHE 96 2HE PHE 96 -0.376 -3.942 -6.526 751 HZ PHE 96 HZ PHE 96 0.734 -4.013 -8.723 752 H ARG 97 H ARG 97 -0.120 -11.417 -7.729 753 HA ARG 97 HA ARG 97 -1.285 -13.178 -5.685 754 HB2 ARG 97 1HB ARG 97 -2.159 -13.617 -8.045 755 HB3 ARG 97 2HB ARG 97 -0.532 -14.159 -8.432 756 HG2 ARG 97 1HG ARG 97 -0.676 -15.918 -6.796 757 HG3 ARG 97 2HG ARG 97 -2.249 -15.329 -6.255 758 HD2 ARG 97 1HD ARG 97 -1.589 -16.428 -8.985 759 HD3 ARG 97 2HD ARG 97 -2.510 -17.248 -7.725 760 HE ARG 97 HE ARG 97 -4.342 -15.940 -8.236 761 HH11 ARG 97 2HH1 ARG 97 -1.527 -14.784 -9.928 762 HH12 ARG 97 1HH1 ARG 97 -2.424 -13.723 -10.963 763 HH21 ARG 97 2HH2 ARG 97 -5.534 -14.547 -9.594 764 HH22 ARG 97 1HH2 ARG 97 -4.703 -13.589 -10.772 765 H THR 98 H THR 98 0.146 -14.398 -4.572 766 HA THR 98 HA THR 98 2.953 -13.835 -4.943 767 HB THR 98 HB THR 98 3.161 -15.448 -2.940 768 HG1 THR 98 1HG THR 98 1.093 -16.402 -3.131 769 HG21 THR 98 1HG2 THR 98 3.224 -12.938 -2.861 770 HG22 THR 98 2HG2 THR 98 2.631 -13.706 -1.389 771 HG23 THR 98 3HG2 THR 98 1.495 -12.969 -2.518 772 H SER 99 H SER 99 4.590 -15.521 -5.027 773 HA SER 99 HA SER 99 4.306 -17.260 -7.150 774 HB2 SER 99 1HB SER 99 6.429 -16.469 -5.810 775 HB3 SER 99 2HB SER 99 6.182 -17.975 -4.925 776 HG SER 99 HG SER 99 7.569 -18.242 -6.732 777 HA PRO 100 HA PRO 100 1.956 -20.662 -5.642 778 HB2 PRO 100 1HB PRO 100 2.777 -22.560 -7.401 779 HB3 PRO 100 2HB PRO 100 1.678 -21.249 -7.846 780 HG2 PRO 100 1HG PRO 100 4.629 -21.481 -8.293 781 HG3 PRO 100 2HG PRO 100 3.371 -20.905 -9.402 782 HD2 PRO 100 1HD PRO 100 4.972 -19.220 -8.013 783 HD3 PRO 100 2HD PRO 100 3.294 -18.816 -8.430 784 HA PRO 101 HA PRO 101 4.579 -22.904 -2.889 785 HB2 PRO 101 1HB PRO 101 2.897 -24.941 -2.267 786 HB3 PRO 101 2HB PRO 101 2.686 -23.299 -1.649 787 HG2 PRO 101 1HG PRO 101 1.310 -24.652 -3.938 788 HG3 PRO 101 2HG PRO 101 0.623 -23.613 -2.675 789 HD2 PRO 101 1HD PRO 101 1.177 -22.707 -5.166 790 HD3 PRO 101 2HD PRO 101 1.298 -21.676 -3.726 791 H SER 102 H SER 102 5.404 -25.164 -2.528 792 HA SER 102 HA SER 102 6.731 -26.160 -4.696 793 HB2 SER 102 1HB SER 102 7.176 -28.152 -3.405 794 HB3 SER 102 2HB SER 102 7.145 -26.777 -2.302 795 HG SER 102 HG SER 102 5.770 -28.956 -2.065 796 H GLY 103 H GLY 103 6.499 -28.161 -5.914 797 HA2 GLY 103 1HA GLY 103 3.802 -29.248 -6.135 798 HA3 GLY 103 2HA GLY 103 4.419 -28.405 -7.548 799 HA PRO 104 HA PRO 104 6.015 -32.930 -7.063 800 HB2 PRO 104 1HB PRO 104 4.030 -34.340 -8.265 801 HB3 PRO 104 2HB PRO 104 4.083 -34.051 -6.522 802 HG2 PRO 104 1HG PRO 104 2.509 -32.624 -8.631 803 HG3 PRO 104 2HG PRO 104 1.996 -33.153 -7.018 804 HD2 PRO 104 1HD PRO 104 2.686 -30.591 -7.560 805 HD3 PRO 104 2HD PRO 104 2.970 -31.342 -5.977 806 H SER 105 H SER 105 7.174 -33.817 -8.714 807 HA SER 105 HA SER 105 6.695 -32.708 -11.400 808 HB2 SER 105 1HB SER 105 8.909 -32.276 -10.034 809 HB3 SER 105 2HB SER 105 9.332 -33.887 -10.613 810 HG SER 105 HG SER 105 9.969 -32.065 -11.987 811 H SER 106 H SER 106 5.164 -34.427 -11.798 812 HA SER 106 HA SER 106 6.103 -37.155 -11.830 813 HB2 SER 106 1HB SER 106 3.859 -37.617 -12.856 814 HB3 SER 106 2HB SER 106 3.779 -36.788 -11.302 815 HG SER 106 HG SER 106 3.508 -35.624 -13.876 816 H GLY 107 H GLY 107 5.858 -38.483 -13.844 817 HA2 GLY 107 1HA GLY 107 6.046 -37.183 -16.389 818 HA3 GLY 107 2HA GLY 107 7.615 -37.724 -15.812 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.483 -5.083 -17.538 2 HA2 GLY 1 1HA GLY 1 -10.751 -3.802 -19.757 3 HA3 GLY 1 2HA GLY 1 -11.497 -4.188 -18.213 4 H SER 2 H SER 2 -9.440 -1.846 -19.874 5 HA SER 2 HA SER 2 -10.461 0.214 -18.038 6 HB2 SER 2 1HB SER 2 -7.627 -0.059 -19.064 7 HB3 SER 2 2HB SER 2 -8.243 1.351 -18.202 8 HG SER 2 HG SER 2 -8.121 0.290 -16.385 9 H SER 3 H SER 3 -11.636 -0.404 -20.472 10 HA SER 3 HA SER 3 -10.651 1.371 -22.516 11 HB2 SER 3 1HB SER 3 -13.279 -0.126 -22.358 12 HB3 SER 3 2HB SER 3 -12.617 0.658 -23.792 13 HG SER 3 HG SER 3 -10.856 -0.805 -23.673 14 H GLY 4 H GLY 4 -10.861 3.500 -22.286 15 HA2 GLY 4 1HA GLY 4 -12.934 5.083 -22.516 16 HA3 GLY 4 2HA GLY 4 -13.184 4.570 -20.853 17 H SER 5 H SER 5 -11.279 6.510 -23.006 18 HA SER 5 HA SER 5 -9.782 7.588 -20.711 19 HB2 SER 5 1HB SER 5 -8.509 6.605 -22.698 20 HB3 SER 5 2HB SER 5 -9.076 7.999 -23.617 21 HG SER 5 HG SER 5 -7.714 8.262 -21.152 22 H SER 6 H SER 6 -10.817 9.304 -19.918 23 HA SER 6 HA SER 6 -11.227 11.611 -21.582 24 HB2 SER 6 1HB SER 6 -13.613 11.861 -21.203 25 HB3 SER 6 2HB SER 6 -13.314 10.306 -21.979 26 HG SER 6 HG SER 6 -13.334 10.345 -19.199 27 H GLY 7 H GLY 7 -11.943 13.504 -20.310 28 HA2 GLY 7 1HA GLY 7 -11.947 14.824 -18.419 29 HA3 GLY 7 2HA GLY 7 -12.012 13.357 -17.455 30 H ALA 8 H ALA 8 -10.397 13.356 -16.047 31 HA ALA 8 HA ALA 8 -7.675 13.707 -17.021 32 HB1 ALA 8 1HB ALA 8 -9.010 15.536 -15.085 33 HB2 ALA 8 2HB ALA 8 -7.299 15.164 -14.870 34 HB3 ALA 8 3HB ALA 8 -7.860 15.898 -16.372 35 H GLU 9 H GLU 9 -6.404 12.184 -16.189 36 HA GLU 9 HA GLU 9 -7.339 10.744 -13.804 37 HB2 GLU 9 1HB GLU 9 -7.040 9.428 -15.891 38 HB3 GLU 9 2HB GLU 9 -5.335 9.857 -15.886 39 HG2 GLU 9 1HG GLU 9 -5.378 8.812 -13.495 40 HG3 GLU 9 2HG GLU 9 -6.830 8.011 -14.091 41 H SER 10 H SER 10 -6.474 12.405 -12.408 42 HA SER 10 HA SER 10 -3.548 12.539 -12.289 43 HB2 SER 10 1HB SER 10 -3.915 14.430 -10.725 44 HB3 SER 10 2HB SER 10 -4.690 14.693 -12.287 45 HG SER 10 HG SER 10 -6.224 15.194 -10.820 46 H LEU 11 H LEU 11 -3.346 10.383 -11.441 47 HA LEU 11 HA LEU 11 -4.427 9.872 -8.792 48 HB2 LEU 11 1HB LEU 11 -4.303 8.147 -10.632 49 HB3 LEU 11 2HB LEU 11 -2.558 8.133 -10.384 50 HG LEU 11 HG LEU 11 -2.823 7.256 -8.164 51 HD11 LEU 11 1HD1 LEU 11 -5.773 7.624 -8.641 52 HD12 LEU 11 2HD1 LEU 11 -4.775 8.402 -7.412 53 HD13 LEU 11 3HD1 LEU 11 -5.097 6.671 -7.320 54 HD21 LEU 11 1HD2 LEU 11 -3.895 5.926 -10.509 55 HD22 LEU 11 2HD2 LEU 11 -4.575 5.291 -9.011 56 HD23 LEU 11 3HD2 LEU 11 -2.827 5.310 -9.248 57 H SER 12 H SER 12 -2.815 12.017 -8.617 58 HA SER 12 HA SER 12 -0.837 12.871 -7.797 59 HB2 SER 12 1HB SER 12 -1.849 10.789 -5.924 60 HB3 SER 12 2HB SER 12 -0.252 11.463 -5.600 61 HG SER 12 HG SER 12 -2.251 12.544 -4.703 62 H GLY 13 H GLY 13 -0.346 11.055 -9.923 63 HA2 GLY 13 1HA GLY 13 1.302 9.729 -10.839 64 HA3 GLY 13 2HA GLY 13 2.366 10.735 -9.868 65 H LEU 14 H LEU 14 0.352 7.820 -9.734 66 HA LEU 14 HA LEU 14 2.415 6.515 -8.150 67 HB2 LEU 14 1HB LEU 14 -0.410 6.944 -7.231 68 HB3 LEU 14 2HB LEU 14 0.569 5.607 -6.629 69 HG LEU 14 HG LEU 14 1.414 8.486 -6.386 70 HD11 LEU 14 1HD1 LEU 14 0.507 7.276 -3.933 71 HD12 LEU 14 2HD1 LEU 14 -0.788 7.339 -5.128 72 HD13 LEU 14 3HD1 LEU 14 0.055 8.816 -4.663 73 HD21 LEU 14 1HD2 LEU 14 2.742 7.470 -4.488 74 HD22 LEU 14 2HD2 LEU 14 3.253 7.029 -6.118 75 HD23 LEU 14 3HD2 LEU 14 2.309 5.894 -5.151 76 H SER 15 H SER 15 2.337 4.239 -8.230 77 HA SER 15 HA SER 15 0.266 2.781 -9.490 78 HB2 SER 15 1HB SER 15 1.594 2.131 -11.546 79 HB3 SER 15 2HB SER 15 0.967 3.779 -11.549 80 HG SER 15 HG SER 15 2.991 4.543 -11.078 81 H LEU 16 H LEU 16 0.398 0.973 -8.350 82 HA LEU 16 HA LEU 16 2.819 0.064 -7.148 83 HB2 LEU 16 1HB LEU 16 0.073 -1.132 -7.402 84 HB3 LEU 16 2HB LEU 16 1.395 -1.959 -6.583 85 HG LEU 16 HG LEU 16 0.501 0.782 -5.743 86 HD11 LEU 16 1HD1 LEU 16 -1.481 -0.606 -5.681 87 HD12 LEU 16 2HD1 LEU 16 -0.900 -0.308 -4.043 88 HD13 LEU 16 3HD1 LEU 16 -0.602 -1.866 -4.814 89 HD21 LEU 16 1HD2 LEU 16 1.467 -1.172 -3.790 90 HD22 LEU 16 2HD2 LEU 16 1.913 0.518 -4.024 91 HD23 LEU 16 3HD2 LEU 16 2.650 -0.735 -5.023 92 H LYS 17 H LYS 17 4.062 -1.735 -7.623 93 HA LYS 17 HA LYS 17 3.479 -3.189 -10.097 94 HB2 LYS 17 1HB LYS 17 5.484 -2.707 -11.139 95 HB3 LYS 17 2HB LYS 17 5.118 -1.168 -10.371 96 HG2 LYS 17 1HG LYS 17 6.688 -1.553 -8.642 97 HG3 LYS 17 2HG LYS 17 6.889 -3.243 -9.110 98 HD2 LYS 17 1HD LYS 17 8.752 -1.714 -9.815 99 HD3 LYS 17 2HD LYS 17 8.007 -2.635 -11.124 100 HE2 LYS 17 1HE LYS 17 8.311 -0.392 -11.886 101 HE3 LYS 17 2HE LYS 17 6.587 -0.639 -11.613 102 HZ1 LYS 17 1HZ LYS 17 7.187 1.463 -10.715 103 HZ2 LYS 17 2HZ LYS 17 8.489 0.809 -9.856 104 HZ3 LYS 17 3HZ LYS 17 6.903 0.427 -9.407 105 H LEU 18 H LEU 18 4.656 -5.196 -10.302 106 HA LEU 18 HA LEU 18 5.173 -6.392 -7.694 107 HB2 LEU 18 1HB LEU 18 3.639 -7.474 -9.314 108 HB3 LEU 18 2HB LEU 18 5.005 -7.699 -10.405 109 HG LEU 18 HG LEU 18 6.062 -9.190 -8.783 110 HD11 LEU 18 1HD1 LEU 18 3.873 -8.208 -7.076 111 HD12 LEU 18 2HD1 LEU 18 5.498 -8.742 -6.650 112 HD13 LEU 18 3HD1 LEU 18 4.232 -9.931 -6.955 113 HD21 LEU 18 1HD2 LEU 18 3.223 -10.095 -9.151 114 HD22 LEU 18 2HD2 LEU 18 4.700 -11.059 -9.171 115 HD23 LEU 18 3HD2 LEU 18 4.345 -9.960 -10.505 116 H VAL 19 H VAL 19 7.191 -6.262 -6.966 117 HA VAL 19 HA VAL 19 9.413 -6.439 -8.882 118 HB VAL 19 HB VAL 19 9.075 -5.087 -6.263 119 HG11 VAL 19 1HG1 VAL 19 11.602 -5.005 -6.046 120 HG12 VAL 19 2HG1 VAL 19 10.821 -6.520 -5.589 121 HG13 VAL 19 3HG1 VAL 19 11.639 -6.383 -7.146 122 HG21 VAL 19 1HG2 VAL 19 9.183 -4.072 -8.643 123 HG22 VAL 19 2HG2 VAL 19 10.068 -3.285 -7.337 124 HG23 VAL 19 3HG2 VAL 19 10.923 -4.313 -8.487 125 H LYS 20 H LYS 20 8.410 -7.627 -5.681 126 HA LYS 20 HA LYS 20 10.115 -9.990 -6.129 127 HB2 LYS 20 1HB LYS 20 10.813 -8.406 -4.262 128 HB3 LYS 20 2HB LYS 20 9.348 -8.899 -3.424 129 HG2 LYS 20 1HG LYS 20 10.134 -11.005 -2.995 130 HG3 LYS 20 2HG LYS 20 11.217 -11.003 -4.389 131 HD2 LYS 20 1HD LYS 20 11.711 -9.089 -2.151 132 HD3 LYS 20 2HD LYS 20 12.170 -10.783 -1.956 133 HE2 LYS 20 1HE LYS 20 13.771 -10.676 -3.602 134 HE3 LYS 20 2HE LYS 20 12.975 -9.346 -4.440 135 HZ1 LYS 20 1HZ LYS 20 13.647 -7.880 -2.613 136 HZ2 LYS 20 2HZ LYS 20 14.980 -8.575 -3.387 137 HZ3 LYS 20 3HZ LYS 20 14.474 -9.163 -1.883 138 H LYS 21 H LYS 21 8.729 -11.513 -6.819 139 HA LYS 21 HA LYS 21 6.147 -11.812 -5.467 140 HB2 LYS 21 1HB LYS 21 6.421 -11.740 -8.028 141 HB3 LYS 21 2HB LYS 21 7.058 -13.373 -7.873 142 HG2 LYS 21 1HG LYS 21 4.817 -13.714 -6.501 143 HG3 LYS 21 2HG LYS 21 4.294 -12.367 -7.514 144 HD2 LYS 21 1HD LYS 21 5.390 -13.847 -9.416 145 HD3 LYS 21 2HD LYS 21 5.042 -15.145 -8.272 146 HE2 LYS 21 1HE LYS 21 2.730 -14.697 -8.312 147 HE3 LYS 21 2HE LYS 21 2.966 -13.130 -9.085 148 HZ1 LYS 21 1HZ LYS 21 3.721 -14.281 -11.080 149 HZ2 LYS 21 2HZ LYS 21 2.152 -14.753 -10.662 150 HZ3 LYS 21 3HZ LYS 21 3.458 -15.778 -10.337 151 H GLU 22 H GLU 22 6.895 -12.752 -3.534 152 HA GLU 22 HA GLU 22 8.085 -15.429 -3.803 153 HB2 GLU 22 1HB GLU 22 8.270 -13.301 -1.732 154 HB3 GLU 22 2HB GLU 22 8.334 -14.970 -1.185 155 HG2 GLU 22 1HG GLU 22 10.127 -15.186 -3.091 156 HG3 GLU 22 2HG GLU 22 10.262 -13.444 -2.853 157 HA PRO 23 HA PRO 23 4.503 -17.445 -2.273 158 HB2 PRO 23 1HB PRO 23 5.543 -19.332 -0.622 159 HB3 PRO 23 2HB PRO 23 5.677 -19.417 -2.382 160 HG2 PRO 23 1HG PRO 23 7.689 -18.482 -0.372 161 HG3 PRO 23 2HG PRO 23 7.926 -19.507 -1.799 162 HD2 PRO 23 1HD PRO 23 8.531 -16.868 -1.784 163 HD3 PRO 23 2HD PRO 23 7.962 -17.709 -3.240 164 H ARG 24 H ARG 24 6.803 -16.323 0.146 165 HA ARG 24 HA ARG 24 4.545 -15.839 1.972 166 HB2 ARG 24 1HB ARG 24 7.320 -16.747 2.760 167 HB3 ARG 24 2HB ARG 24 6.022 -16.337 3.874 168 HG2 ARG 24 1HG ARG 24 4.799 -18.240 3.347 169 HG3 ARG 24 2HG ARG 24 5.658 -18.486 1.825 170 HD2 ARG 24 1HD ARG 24 7.725 -18.924 3.196 171 HD3 ARG 24 2HD ARG 24 6.686 -18.931 4.620 172 HE ARG 24 HE ARG 24 5.670 -20.719 2.693 173 HH11 ARG 24 2HH1 ARG 24 8.306 -20.363 4.939 174 HH12 ARG 24 1HH1 ARG 24 8.519 -22.068 5.161 175 HH21 ARG 24 2HH2 ARG 24 5.940 -22.966 2.977 176 HH22 ARG 24 1HH2 ARG 24 7.173 -23.548 4.044 177 H GLN 25 H GLN 25 6.045 -14.159 -0.007 178 HA GLN 25 HA GLN 25 6.310 -11.842 1.665 179 HB2 GLN 25 1HB GLN 25 8.559 -13.093 1.765 180 HB3 GLN 25 2HB GLN 25 8.765 -12.586 0.093 181 HG2 GLN 25 1HG GLN 25 8.369 -10.219 0.924 182 HG3 GLN 25 2HG GLN 25 8.572 -10.874 2.548 183 HE21 GLN 25 1HE2 GLN 25 10.119 -9.613 -0.145 184 HE22 GLN 25 2HE2 GLN 25 11.747 -9.996 0.288 185 H LEU 26 H LEU 26 6.279 -9.902 0.497 186 HA LEU 26 HA LEU 26 6.220 -10.054 -2.416 187 HB2 LEU 26 1HB LEU 26 3.908 -9.367 -0.663 188 HB3 LEU 26 2HB LEU 26 4.090 -8.535 -2.206 189 HG LEU 26 HG LEU 26 3.706 -11.492 -1.764 190 HD11 LEU 26 1HD1 LEU 26 1.709 -10.015 -1.580 191 HD12 LEU 26 2HD1 LEU 26 1.622 -11.186 -2.896 192 HD13 LEU 26 3HD1 LEU 26 1.998 -9.498 -3.241 193 HD21 LEU 26 1HD2 LEU 26 4.587 -9.940 -4.152 194 HD22 LEU 26 2HD2 LEU 26 3.534 -11.337 -4.374 195 HD23 LEU 26 3HD2 LEU 26 5.101 -11.530 -3.587 196 H GLU 27 H GLU 27 7.214 -8.360 -3.302 197 HA GLU 27 HA GLU 27 7.498 -5.910 -1.690 198 HB2 GLU 27 1HB GLU 27 9.588 -7.372 -1.928 199 HB3 GLU 27 2HB GLU 27 9.590 -6.894 -3.620 200 HG2 GLU 27 1HG GLU 27 10.056 -4.675 -3.126 201 HG3 GLU 27 2HG GLU 27 9.524 -4.835 -1.453 202 H LEU 28 H LEU 28 6.779 -4.120 -2.635 203 HA LEU 28 HA LEU 28 6.578 -4.058 -5.571 204 HB2 LEU 28 1HB LEU 28 4.582 -2.666 -3.835 205 HB3 LEU 28 2HB LEU 28 4.440 -3.157 -5.522 206 HG LEU 28 HG LEU 28 4.531 -5.144 -3.265 207 HD11 LEU 28 1HD1 LEU 28 2.068 -3.977 -4.550 208 HD12 LEU 28 2HD1 LEU 28 2.652 -3.567 -2.938 209 HD13 LEU 28 3HD1 LEU 28 2.127 -5.213 -3.293 210 HD21 LEU 28 1HD2 LEU 28 4.895 -5.608 -5.849 211 HD22 LEU 28 2HD2 LEU 28 3.132 -5.573 -5.848 212 HD23 LEU 28 3HD2 LEU 28 3.992 -6.719 -4.819 213 H THR 29 H THR 29 6.349 -1.804 -6.426 214 HA THR 29 HA THR 29 7.427 0.296 -4.730 215 HB THR 29 HB THR 29 9.478 -0.702 -5.522 216 HG1 THR 29 1HG THR 29 10.079 1.181 -7.037 217 HG21 THR 29 1HG2 THR 29 8.605 -1.892 -7.467 218 HG22 THR 29 2HG2 THR 29 9.982 -0.887 -7.920 219 HG23 THR 29 3HG2 THR 29 8.342 -0.360 -8.300 220 H TRP 30 H TRP 30 6.789 2.303 -5.347 221 HA TRP 30 HA TRP 30 5.444 2.558 -7.954 222 HB2 TRP 30 1HB TRP 30 3.847 4.145 -6.772 223 HB3 TRP 30 2HB TRP 30 3.661 2.435 -6.394 224 HD1 TRP 30 HD TRP 30 4.814 5.737 -4.838 225 HE1 TRP 30 1HE TRP 30 4.926 5.447 -2.283 226 HE3 TRP 30 3HE TRP 30 3.982 0.701 -4.557 227 HZ2 TRP 30 2HZ TRP 30 4.693 3.359 -0.398 228 HZ3 TRP 30 3HZ TRP 30 3.943 -0.366 -2.340 229 HH2 TRP 30 HH TRP 30 4.292 0.937 -0.305 230 H ALA 31 H ALA 31 6.726 3.852 -9.108 231 HA ALA 31 HA ALA 31 7.750 6.298 -7.818 232 HB1 ALA 31 1HB ALA 31 9.106 5.305 -10.249 233 HB2 ALA 31 2HB ALA 31 9.774 6.065 -8.804 234 HB3 ALA 31 3HB ALA 31 9.326 4.360 -8.776 235 H GLY 32 H GLY 32 6.117 7.689 -8.392 236 HA2 GLY 32 1HA GLY 32 5.805 8.139 -11.296 237 HA3 GLY 32 2HA GLY 32 4.432 8.196 -10.201 238 H SER 33 H SER 33 7.355 9.815 -11.233 239 HA SER 33 HA SER 33 6.336 12.286 -10.003 240 HB2 SER 33 1HB SER 33 8.765 12.943 -9.667 241 HB3 SER 33 2HB SER 33 8.171 11.662 -8.611 242 HG SER 33 HG SER 33 10.272 11.311 -9.673 243 H ARG 34 H ARG 34 5.600 13.340 -11.755 244 HA ARG 34 HA ARG 34 6.858 13.209 -14.313 245 HB2 ARG 34 1HB ARG 34 4.524 14.591 -13.129 246 HB3 ARG 34 2HB ARG 34 5.252 15.371 -14.527 247 HG2 ARG 34 1HG ARG 34 4.946 13.358 -15.843 248 HG3 ARG 34 2HG ARG 34 4.282 12.522 -14.438 249 HD2 ARG 34 1HD ARG 34 2.469 14.217 -14.357 250 HD3 ARG 34 2HD ARG 34 3.105 14.914 -15.846 251 HE ARG 34 HE ARG 34 1.610 12.453 -15.568 252 HH11 ARG 34 2HH1 ARG 34 3.688 14.390 -17.581 253 HH12 ARG 34 1HH1 ARG 34 3.194 13.622 -19.053 254 HH21 ARG 34 2HH2 ARG 34 0.952 11.434 -17.500 255 HH22 ARG 34 1HH2 ARG 34 1.638 11.942 -19.006 256 HA PRO 35 HA PRO 35 8.234 17.735 -13.356 257 HB2 PRO 35 1HB PRO 35 7.857 18.654 -10.829 258 HB3 PRO 35 2HB PRO 35 6.642 18.819 -12.103 259 HG2 PRO 35 1HG PRO 35 6.812 16.800 -9.899 260 HG3 PRO 35 2HG PRO 35 5.397 17.683 -10.501 261 HD2 PRO 35 1HD PRO 35 5.923 15.122 -11.203 262 HD3 PRO 35 2HD PRO 35 5.120 16.266 -12.297 263 H ARG 36 H ARG 36 9.825 18.819 -11.581 264 HA ARG 36 HA ARG 36 11.499 16.680 -10.456 265 HB2 ARG 36 1HB ARG 36 13.495 18.076 -11.198 266 HB3 ARG 36 2HB ARG 36 12.629 17.208 -12.460 267 HG2 ARG 36 1HG ARG 36 12.916 19.254 -13.444 268 HG3 ARG 36 2HG ARG 36 11.325 19.457 -12.707 269 HD2 ARG 36 1HD ARG 36 12.346 21.386 -12.016 270 HD3 ARG 36 2HD ARG 36 12.739 20.320 -10.668 271 HE ARG 36 HE ARG 36 14.755 20.218 -12.660 272 HH11 ARG 36 2HH1 ARG 36 13.514 22.210 -10.089 273 HH12 ARG 36 1HH1 ARG 36 15.034 22.979 -9.775 274 HH21 ARG 36 2HH2 ARG 36 16.763 21.223 -12.256 275 HH22 ARG 36 1HH2 ARG 36 16.881 22.417 -11.008 276 H ASN 37 H ASN 37 9.605 18.992 -9.561 277 HA ASN 37 HA ASN 37 10.863 20.986 -8.209 278 HB2 ASN 37 1HB ASN 37 8.335 20.235 -8.283 279 HB3 ASN 37 2HB ASN 37 8.735 19.476 -6.745 280 HD21 ASN 37 1HD2 ASN 37 9.026 22.557 -8.463 281 HD22 ASN 37 2HD2 ASN 37 8.776 23.553 -7.074 282 HA PRO 38 HA PRO 38 13.598 18.988 -5.364 283 HB2 PRO 38 1HB PRO 38 14.197 21.174 -3.868 284 HB3 PRO 38 2HB PRO 38 14.859 20.905 -5.485 285 HG2 PRO 38 1HG PRO 38 12.560 22.627 -4.642 286 HG3 PRO 38 2HG PRO 38 13.859 22.981 -5.796 287 HD2 PRO 38 1HD PRO 38 11.383 22.215 -6.580 288 HD3 PRO 38 2HD PRO 38 12.846 21.794 -7.493 289 H GLY 39 H GLY 39 13.946 19.144 -2.849 290 HA2 GLY 39 1HA GLY 39 13.102 18.688 -0.764 291 HA3 GLY 39 2HA GLY 39 11.813 19.818 -1.153 292 H GLY 40 H GLY 40 12.209 16.883 -0.004 293 HA2 GLY 40 1HA GLY 40 9.814 15.842 -1.384 294 HA3 GLY 40 2HA GLY 40 11.164 14.796 -0.969 295 H ASN 41 H ASN 41 9.100 17.207 0.665 296 HA ASN 41 HA ASN 41 9.151 15.554 3.073 297 HB2 ASN 41 1HB ASN 41 8.197 18.371 2.547 298 HB3 ASN 41 2HB ASN 41 7.956 17.548 4.085 299 HD21 ASN 41 1HD2 ASN 41 9.578 17.477 5.520 300 HD22 ASN 41 2HD2 ASN 41 11.157 18.122 5.249 301 H LEU 42 H LEU 42 7.816 13.886 2.084 302 HA LEU 42 HA LEU 42 4.997 14.410 2.559 303 HB2 LEU 42 1HB LEU 42 6.169 13.800 -0.097 304 HB3 LEU 42 2HB LEU 42 4.657 12.999 0.327 305 HG LEU 42 HG LEU 42 4.987 15.987 0.443 306 HD11 LEU 42 1HD1 LEU 42 4.616 14.217 -1.884 307 HD12 LEU 42 2HD1 LEU 42 5.274 15.850 -1.788 308 HD13 LEU 42 3HD1 LEU 42 3.528 15.601 -1.781 309 HD21 LEU 42 1HD2 LEU 42 3.094 14.657 1.611 310 HD22 LEU 42 2HD2 LEU 42 2.460 14.452 -0.023 311 HD23 LEU 42 3HD2 LEU 42 2.681 16.072 0.641 312 H SER 43 H SER 43 3.748 12.235 2.135 313 HA SER 43 HA SER 43 5.394 9.940 2.919 314 HB2 SER 43 1HB SER 43 2.927 10.886 4.395 315 HB3 SER 43 2HB SER 43 3.715 9.331 4.662 316 HG SER 43 HG SER 43 5.252 10.294 5.743 317 H TYR 44 H TYR 44 3.895 7.911 3.019 318 HA TYR 44 HA TYR 44 1.841 8.030 0.931 319 HB2 TYR 44 1HB TYR 44 3.997 5.915 0.957 320 HB3 TYR 44 2HB TYR 44 2.752 6.157 -0.263 321 HD1 TYR 44 2HD TYR 44 2.798 8.488 -1.465 322 HD2 TYR 44 1HD TYR 44 6.110 6.796 0.602 323 HE1 TYR 44 2HE TYR 44 4.326 9.931 -2.744 324 HE2 TYR 44 1HE TYR 44 7.646 8.235 -0.670 325 HH TYR 44 HH TYR 44 6.988 10.838 -2.075 326 H GLU 45 H GLU 45 0.102 6.791 1.334 327 HA GLU 45 HA GLU 45 0.160 5.156 3.767 328 HB2 GLU 45 1HB GLU 45 -1.530 7.018 3.486 329 HB3 GLU 45 2HB GLU 45 -2.270 6.052 2.217 330 HG2 GLU 45 1HG GLU 45 -2.891 4.356 3.732 331 HG3 GLU 45 2HG GLU 45 -1.869 5.019 5.006 332 H LEU 46 H LEU 46 0.260 3.025 3.596 333 HA LEU 46 HA LEU 46 -0.492 1.773 1.047 334 HB2 LEU 46 1HB LEU 46 1.837 1.551 2.262 335 HB3 LEU 46 2HB LEU 46 0.985 0.312 3.180 336 HG LEU 46 HG LEU 46 2.358 -0.461 1.189 337 HD11 LEU 46 1HD1 LEU 46 1.122 -2.288 1.392 338 HD12 LEU 46 2HD1 LEU 46 -0.195 -1.540 0.488 339 HD13 LEU 46 3HD1 LEU 46 -0.100 -1.338 2.237 340 HD21 LEU 46 1HD2 LEU 46 1.110 1.515 -0.161 341 HD22 LEU 46 2HD2 LEU 46 0.085 0.143 -0.584 342 HD23 LEU 46 3HD2 LEU 46 1.815 0.091 -0.927 343 H HIS 47 H HIS 47 -2.084 0.292 0.929 344 HA HIS 47 HA HIS 47 -3.234 -0.743 3.423 345 HB2 HIS 47 1HB HIS 47 -4.501 1.278 2.439 346 HB3 HIS 47 2HB HIS 47 -5.003 0.169 1.166 347 HD1 HIS 47 1HD HIS 47 -7.048 1.455 3.095 348 HD2 HIS 47 2HD HIS 47 -5.336 -2.292 3.636 349 HE1 HIS 47 1HE HIS 47 -8.647 0.191 4.568 350 HE2 HIS 47 2HE HIS 47 -7.549 -2.042 4.952 351 H VAL 48 H VAL 48 -3.043 -2.876 3.312 352 HA VAL 48 HA VAL 48 -3.339 -4.197 0.700 353 HB VAL 48 HB VAL 48 -1.995 -5.155 3.229 354 HG11 VAL 48 1HG1 VAL 48 -1.280 -6.949 1.337 355 HG12 VAL 48 2HG1 VAL 48 -2.605 -7.189 2.478 356 HG13 VAL 48 3HG1 VAL 48 -2.938 -6.603 0.848 357 HG21 VAL 48 1HG2 VAL 48 -1.052 -4.023 0.647 358 HG22 VAL 48 2HG2 VAL 48 -0.430 -3.785 2.280 359 HG23 VAL 48 3HG2 VAL 48 -0.078 -5.279 1.411 360 H LEU 49 H LEU 49 -4.987 -5.549 0.334 361 HA LEU 49 HA LEU 49 -6.638 -6.373 2.632 362 HB2 LEU 49 1HB LEU 49 -7.566 -5.658 -0.146 363 HB3 LEU 49 2HB LEU 49 -8.594 -6.250 1.157 364 HG LEU 49 HG LEU 49 -8.071 -4.203 2.447 365 HD11 LEU 49 1HD1 LEU 49 -6.192 -3.835 0.257 366 HD12 LEU 49 2HD1 LEU 49 -6.222 -3.105 1.861 367 HD13 LEU 49 3HD1 LEU 49 -7.188 -2.411 0.559 368 HD21 LEU 49 1HD2 LEU 49 -9.494 -2.733 1.178 369 HD22 LEU 49 2HD2 LEU 49 -10.078 -4.388 1.006 370 HD23 LEU 49 3HD2 LEU 49 -9.168 -3.632 -0.304 371 H ASN 50 H ASN 50 -7.704 -8.406 2.458 372 HA ASN 50 HA ASN 50 -6.866 -10.164 0.283 373 HB2 ASN 50 1HB ASN 50 -5.170 -10.869 1.649 374 HB3 ASN 50 2HB ASN 50 -6.017 -10.400 3.121 375 HD21 ASN 50 1HD2 ASN 50 -5.166 -12.935 1.073 376 HD22 ASN 50 2HD2 ASN 50 -6.116 -14.178 1.806 377 H GLN 51 H GLN 51 -7.957 -12.365 0.525 378 HA GLN 51 HA GLN 51 -10.604 -12.293 0.265 379 HB2 GLN 51 1HB GLN 51 -8.999 -14.435 1.656 380 HB3 GLN 51 2HB GLN 51 -10.694 -14.635 1.232 381 HG2 GLN 51 1HG GLN 51 -8.570 -13.958 -0.781 382 HG3 GLN 51 2HG GLN 51 -9.026 -15.612 -0.374 383 HE21 GLN 51 1HE2 GLN 51 -10.347 -16.461 -1.796 384 HE22 GLN 51 2HE2 GLN 51 -11.588 -15.633 -2.667 385 H ASP 52 H ASP 52 -9.200 -13.150 3.432 386 HA ASP 52 HA ASP 52 -11.475 -11.778 4.703 387 HB2 ASP 52 1HB ASP 52 -11.378 -14.426 4.694 388 HB3 ASP 52 2HB ASP 52 -10.259 -14.161 6.029 389 H GLU 53 H GLU 53 -8.730 -10.887 4.136 390 HA GLU 53 HA GLU 53 -8.012 -10.155 6.878 391 HB2 GLU 53 1HB GLU 53 -6.181 -11.399 4.841 392 HB3 GLU 53 2HB GLU 53 -5.557 -10.381 6.131 393 HG2 GLU 53 1HG GLU 53 -6.911 -11.976 7.675 394 HG3 GLU 53 2HG GLU 53 -6.838 -13.067 6.293 395 H GLU 54 H GLU 54 -8.157 -8.019 6.946 396 HA GLU 54 HA GLU 54 -7.128 -6.471 4.660 397 HB2 GLU 54 1HB GLU 54 -9.490 -6.210 4.600 398 HB3 GLU 54 2HB GLU 54 -9.582 -5.985 6.341 399 HG2 GLU 54 1HG GLU 54 -7.987 -3.925 5.702 400 HG3 GLU 54 2HG GLU 54 -8.919 -4.063 4.212 401 H TRP 55 H TRP 55 -5.328 -5.464 5.239 402 HA TRP 55 HA TRP 55 -5.250 -4.092 7.830 403 HB2 TRP 55 1HB TRP 55 -3.079 -4.901 8.368 404 HB3 TRP 55 2HB TRP 55 -4.030 -6.315 7.922 405 HD1 TRP 55 HD TRP 55 -1.242 -4.047 6.536 406 HE1 TRP 55 1HE TRP 55 0.056 -5.365 4.746 407 HE3 TRP 55 3HE TRP 55 -4.167 -8.235 6.333 408 HZ2 TRP 55 2HZ TRP 55 -0.136 -7.850 3.422 409 HZ3 TRP 55 3HZ TRP 55 -3.541 -10.036 4.778 410 HH2 TRP 55 HH TRP 55 -1.567 -9.845 3.353 411 H HIS 56 H HIS 56 -4.064 -2.192 7.870 412 HA HIS 56 HA HIS 56 -2.904 -1.325 5.307 413 HB2 HIS 56 1HB HIS 56 -3.941 0.786 5.436 414 HB3 HIS 56 2HB HIS 56 -5.216 -0.357 5.848 415 HD1 HIS 56 1HD HIS 56 -5.022 2.718 6.723 416 HD2 HIS 56 2HD HIS 56 -4.191 -0.601 9.080 417 HE1 HIS 56 1HE HIS 56 -5.313 3.490 9.099 418 HE2 HIS 56 2HE HIS 56 -4.722 1.489 10.509 419 H GLN 57 H GLN 57 -1.050 -0.121 5.411 420 HA GLN 57 HA GLN 57 -0.064 0.738 8.020 421 HB2 GLN 57 1HB GLN 57 2.145 -0.326 7.592 422 HB3 GLN 57 2HB GLN 57 0.847 -1.485 7.846 423 HG2 GLN 57 1HG GLN 57 0.665 -1.722 5.376 424 HG3 GLN 57 2HG GLN 57 2.092 -0.699 5.225 425 HE21 GLN 57 1HE2 GLN 57 4.077 -1.547 5.586 426 HE22 GLN 57 2HE2 GLN 57 4.366 -3.211 5.946 427 H MET 58 H MET 58 0.562 2.773 7.813 428 HA MET 58 HA MET 58 1.011 3.972 5.260 429 HB2 MET 58 1HB MET 58 -0.011 5.225 7.096 430 HB3 MET 58 2HB MET 58 1.462 5.063 8.043 431 HG2 MET 58 1HG MET 58 1.612 6.335 5.359 432 HG3 MET 58 2HG MET 58 0.940 7.251 6.706 433 HE1 MET 58 1HE MET 58 2.918 8.751 8.363 434 HE2 MET 58 2HE MET 58 1.942 7.382 8.895 435 HE3 MET 58 3HE MET 58 3.667 7.432 9.264 436 H VAL 59 H VAL 59 2.860 4.271 4.185 437 HA VAL 59 HA VAL 59 5.388 3.725 5.602 438 HB VAL 59 HB VAL 59 6.304 2.889 3.473 439 HG11 VAL 59 1HG1 VAL 59 3.902 1.211 3.759 440 HG12 VAL 59 2HG1 VAL 59 5.610 0.786 3.894 441 HG13 VAL 59 3HG1 VAL 59 4.779 1.546 5.252 442 HG21 VAL 59 1HG2 VAL 59 4.116 2.242 1.936 443 HG22 VAL 59 2HG2 VAL 59 3.755 3.883 2.471 444 HG23 VAL 59 3HG2 VAL 59 5.257 3.547 1.610 445 H LEU 60 H LEU 60 7.150 5.025 5.151 446 HA LEU 60 HA LEU 60 6.499 7.615 3.995 447 HB2 LEU 60 1HB LEU 60 9.088 6.771 5.272 448 HB3 LEU 60 2HB LEU 60 8.501 8.411 5.005 449 HG LEU 60 HG LEU 60 7.175 6.464 6.883 450 HD11 LEU 60 1HD1 LEU 60 8.822 8.709 7.897 451 HD12 LEU 60 2HD1 LEU 60 9.665 7.274 7.316 452 HD13 LEU 60 3HD1 LEU 60 8.481 7.135 8.615 453 HD21 LEU 60 1HD2 LEU 60 6.967 9.449 6.508 454 HD22 LEU 60 2HD2 LEU 60 6.205 8.539 7.814 455 HD23 LEU 60 3HD2 LEU 60 5.730 8.246 6.140 456 H GLU 61 H GLU 61 8.318 4.764 3.250 457 HA GLU 61 HA GLU 61 9.793 6.070 1.107 458 HB2 GLU 61 1HB GLU 61 10.663 3.701 0.736 459 HB3 GLU 61 2HB GLU 61 11.098 4.479 2.252 460 HG2 GLU 61 1HG GLU 61 8.688 2.727 2.122 461 HG3 GLU 61 2HG GLU 61 10.295 2.012 2.233 462 HA PRO 62 HA PRO 62 7.013 5.067 -2.139 463 HB2 PRO 62 1HB PRO 62 8.743 4.661 -4.192 464 HB3 PRO 62 2HB PRO 62 8.399 6.263 -3.528 465 HG2 PRO 62 1HG PRO 62 10.719 4.447 -2.993 466 HG3 PRO 62 2HG PRO 62 10.709 6.200 -3.262 467 HD2 PRO 62 1HD PRO 62 10.884 5.106 -0.791 468 HD3 PRO 62 2HD PRO 62 10.072 6.656 -1.094 469 H ARG 63 H ARG 63 8.925 2.799 -0.697 470 HA ARG 63 HA ARG 63 7.840 0.644 -2.389 471 HB2 ARG 63 1HB ARG 63 9.814 -0.709 -1.781 472 HB3 ARG 63 2HB ARG 63 10.247 0.741 -2.677 473 HG2 ARG 63 1HG ARG 63 11.834 0.749 -1.030 474 HG3 ARG 63 2HG ARG 63 10.586 1.756 -0.294 475 HD2 ARG 63 1HD ARG 63 9.939 0.106 1.184 476 HD3 ARG 63 2HD ARG 63 10.557 -1.193 0.165 477 HE ARG 63 HE ARG 63 12.005 0.287 2.155 478 HH11 ARG 63 2HH1 ARG 63 12.267 -1.593 -0.763 479 HH12 ARG 63 1HH1 ARG 63 13.909 -2.063 -0.468 480 HH21 ARG 63 2HH2 ARG 63 14.166 -0.325 2.555 481 HH22 ARG 63 1HH2 ARG 63 14.987 -1.342 1.420 482 H VAL 64 H VAL 64 7.787 -1.496 -1.134 483 HA VAL 64 HA VAL 64 7.411 -1.279 1.718 484 HB VAL 64 HB VAL 64 5.251 -0.437 0.838 485 HG11 VAL 64 1HG1 VAL 64 3.983 -1.521 -0.682 486 HG12 VAL 64 2HG1 VAL 64 5.523 -2.253 -1.134 487 HG13 VAL 64 3HG1 VAL 64 4.416 -3.115 -0.065 488 HG21 VAL 64 1HG2 VAL 64 3.892 -2.425 1.985 489 HG22 VAL 64 2HG2 VAL 64 5.517 -2.873 2.503 490 HG23 VAL 64 3HG2 VAL 64 4.868 -1.285 2.911 491 H LEU 65 H LEU 65 7.621 -3.218 2.733 492 HA LEU 65 HA LEU 65 7.897 -5.587 1.003 493 HB2 LEU 65 1HB LEU 65 9.975 -4.654 2.131 494 HB3 LEU 65 2HB LEU 65 9.262 -5.190 3.652 495 HG LEU 65 HG LEU 65 10.904 -6.791 2.883 496 HD11 LEU 65 1HD1 LEU 65 8.400 -8.240 2.269 497 HD12 LEU 65 2HD1 LEU 65 8.483 -7.404 3.819 498 HD13 LEU 65 3HD1 LEU 65 9.687 -8.626 3.411 499 HD21 LEU 65 1HD2 LEU 65 11.210 -7.192 0.724 500 HD22 LEU 65 2HD2 LEU 65 9.802 -6.205 0.331 501 HD23 LEU 65 3HD2 LEU 65 9.612 -7.933 0.631 502 H LEU 66 H LEU 66 6.196 -6.875 1.245 503 HA LEU 66 HA LEU 66 4.856 -7.028 3.844 504 HB2 LEU 66 1HB LEU 66 4.012 -8.141 1.173 505 HB3 LEU 66 2HB LEU 66 3.047 -8.130 2.648 506 HG LEU 66 HG LEU 66 3.963 -5.628 1.239 507 HD11 LEU 66 1HD1 LEU 66 1.663 -5.487 0.378 508 HD12 LEU 66 2HD1 LEU 66 1.343 -7.103 1.007 509 HD13 LEU 66 3HD1 LEU 66 2.539 -6.874 -0.269 510 HD21 LEU 66 1HD2 LEU 66 3.030 -4.522 2.925 511 HD22 LEU 66 2HD2 LEU 66 2.911 -6.058 3.783 512 HD23 LEU 66 3HD2 LEU 66 1.553 -5.480 2.817 513 H THR 67 H THR 67 5.116 -8.710 5.152 514 HA THR 67 HA THR 67 6.258 -11.189 4.035 515 HB THR 67 HB THR 67 7.448 -11.570 6.095 516 HG1 THR 67 1HG THR 67 7.341 -9.597 7.610 517 HG21 THR 67 1HG2 THR 67 8.267 -9.848 4.296 518 HG22 THR 67 2HG2 THR 67 9.137 -10.021 5.820 519 HG23 THR 67 3HG2 THR 67 8.015 -8.680 5.593 520 H LYS 68 H LYS 68 5.975 -12.982 5.909 521 HA LYS 68 HA LYS 68 4.493 -14.465 6.797 522 HB2 LYS 68 1HB LYS 68 3.444 -11.840 7.832 523 HB3 LYS 68 2HB LYS 68 2.687 -13.368 8.266 524 HG2 LYS 68 1HG LYS 68 4.931 -14.124 9.101 525 HG3 LYS 68 2HG LYS 68 5.491 -12.466 8.869 526 HD2 LYS 68 1HD LYS 68 3.097 -13.189 10.550 527 HD3 LYS 68 2HD LYS 68 4.731 -13.039 11.202 528 HE2 LYS 68 1HE LYS 68 3.633 -10.802 9.573 529 HE3 LYS 68 2HE LYS 68 3.044 -11.009 11.221 530 HZ1 LYS 68 1HZ LYS 68 5.611 -10.084 10.287 531 HZ2 LYS 68 2HZ LYS 68 5.707 -11.223 11.533 532 HZ3 LYS 68 3HZ LYS 68 4.826 -9.796 11.758 533 H LEU 69 H LEU 69 4.028 -14.061 4.152 534 HA LEU 69 HA LEU 69 1.122 -13.740 3.884 535 HB2 LEU 69 1HB LEU 69 3.128 -13.993 1.658 536 HB3 LEU 69 2HB LEU 69 1.467 -13.413 1.558 537 HG LEU 69 HG LEU 69 3.673 -11.965 3.016 538 HD11 LEU 69 1HD1 LEU 69 4.295 -11.967 0.728 539 HD12 LEU 69 2HD1 LEU 69 3.547 -10.403 1.052 540 HD13 LEU 69 3HD1 LEU 69 2.638 -11.657 0.208 541 HD21 LEU 69 1HD2 LEU 69 1.769 -10.146 2.325 542 HD22 LEU 69 2HD2 LEU 69 1.891 -10.931 3.900 543 HD23 LEU 69 3HD2 LEU 69 0.790 -11.570 2.678 544 H GLN 70 H GLN 70 0.390 -15.206 1.845 545 HA GLN 70 HA GLN 70 1.187 -17.959 2.530 546 HB2 GLN 70 1HB GLN 70 -1.503 -16.778 1.913 547 HB3 GLN 70 2HB GLN 70 -1.197 -18.490 1.650 548 HG2 GLN 70 1HG GLN 70 -1.015 -16.991 4.251 549 HG3 GLN 70 2HG GLN 70 -2.218 -18.195 3.793 550 HE21 GLN 70 1HE2 GLN 70 1.072 -17.653 4.769 551 HE22 GLN 70 2HE2 GLN 70 1.443 -19.296 5.154 552 HA PRO 71 HA PRO 71 2.370 -18.493 -1.674 553 HB2 PRO 71 1HB PRO 71 2.166 -21.195 -1.841 554 HB3 PRO 71 2HB PRO 71 3.470 -20.383 -0.967 555 HG2 PRO 71 1HG PRO 71 0.954 -21.609 0.095 556 HG3 PRO 71 2HG PRO 71 2.604 -21.708 0.736 557 HD2 PRO 71 1HD PRO 71 0.742 -20.030 1.760 558 HD3 PRO 71 2HD PRO 71 2.474 -19.638 1.740 559 H ASP 72 H ASP 72 1.398 -18.506 -3.627 560 HA ASP 72 HA ASP 72 -0.271 -18.501 -5.176 561 HB2 ASP 72 1HB ASP 72 0.117 -21.002 -4.744 562 HB3 ASP 72 2HB ASP 72 -1.367 -20.944 -3.796 563 H THR 73 H THR 73 -0.825 -16.665 -3.391 564 HA THR 73 HA THR 73 -3.723 -16.919 -2.987 565 HB THR 73 HB THR 73 -1.795 -15.784 -0.950 566 HG1 THR 73 1HG THR 73 -2.336 -18.223 -1.270 567 HG21 THR 73 1HG2 THR 73 -3.543 -14.927 0.222 568 HG22 THR 73 2HG2 THR 73 -4.662 -16.175 -0.325 569 HG23 THR 73 3HG2 THR 73 -4.262 -14.823 -1.384 570 H THR 74 H THR 74 -4.846 -15.227 -3.722 571 HA THR 74 HA THR 74 -3.476 -13.057 -5.000 572 HB THR 74 HB THR 74 -6.450 -13.308 -4.528 573 HG1 THR 74 1HG THR 74 -4.788 -14.396 -6.566 574 HG21 THR 74 1HG2 THR 74 -6.441 -12.032 -6.748 575 HG22 THR 74 2HG2 THR 74 -4.741 -11.705 -6.412 576 HG23 THR 74 3HG2 THR 74 -5.985 -11.136 -5.300 577 H TYR 75 H TYR 75 -2.847 -11.232 -4.071 578 HA TYR 75 HA TYR 75 -4.304 -10.284 -1.692 579 HB2 TYR 75 1HB TYR 75 -1.345 -10.369 -2.233 580 HB3 TYR 75 2HB TYR 75 -2.029 -9.247 -1.061 581 HD1 TYR 75 2HD TYR 75 -3.448 -10.250 0.834 582 HD2 TYR 75 1HD TYR 75 -0.846 -12.564 -1.611 583 HE1 TYR 75 2HE TYR 75 -3.416 -12.013 2.548 584 HE2 TYR 75 1HE TYR 75 -0.808 -14.334 0.096 585 HH TYR 75 HH TYR 75 -1.182 -14.456 2.631 586 H ILE 76 H ILE 76 -5.202 -8.353 -1.924 587 HA ILE 76 HA ILE 76 -4.545 -6.729 -4.239 588 HB ILE 76 HB ILE 76 -6.620 -6.193 -2.114 589 HG12 ILE 76 1HG1 ILE 76 -7.075 -8.344 -3.153 590 HG13 ILE 76 2HG1 ILE 76 -8.233 -7.153 -3.734 591 HG21 ILE 76 1HG2 ILE 76 -6.064 -5.034 -4.826 592 HG22 ILE 76 2HG2 ILE 76 -7.648 -4.904 -4.064 593 HG23 ILE 76 3HG2 ILE 76 -6.233 -4.199 -3.282 594 HD11 ILE 76 1HD1 ILE 76 -6.687 -6.882 -5.738 595 HD12 ILE 76 2HD1 ILE 76 -5.915 -8.368 -5.185 596 HD13 ILE 76 3HD1 ILE 76 -7.623 -8.372 -5.623 597 H VAL 77 H VAL 77 -3.565 -4.771 -4.213 598 HA VAL 77 HA VAL 77 -2.868 -3.599 -1.609 599 HB VAL 77 HB VAL 77 -0.927 -3.850 -3.910 600 HG11 VAL 77 1HG1 VAL 77 0.706 -2.942 -2.404 601 HG12 VAL 77 2HG1 VAL 77 -0.682 -1.853 -2.445 602 HG13 VAL 77 3HG1 VAL 77 -0.453 -2.941 -1.075 603 HG21 VAL 77 1HG2 VAL 77 -1.683 -5.864 -2.196 604 HG22 VAL 77 2HG2 VAL 77 -0.161 -5.782 -3.084 605 HG23 VAL 77 3HG2 VAL 77 -0.243 -5.201 -1.421 606 H ARG 78 H ARG 78 -2.541 -1.346 -1.606 607 HA ARG 78 HA ARG 78 -2.854 0.174 -4.035 608 HB2 ARG 78 1HB ARG 78 -4.868 1.401 -3.186 609 HB3 ARG 78 2HB ARG 78 -5.175 -0.266 -3.654 610 HG2 ARG 78 1HG ARG 78 -4.791 -0.766 -1.133 611 HG3 ARG 78 2HG ARG 78 -5.122 0.957 -0.934 612 HD2 ARG 78 1HD ARG 78 -6.958 -0.795 -2.528 613 HD3 ARG 78 2HD ARG 78 -7.080 -0.718 -0.771 614 HE ARG 78 HE ARG 78 -7.092 1.849 -2.083 615 HH11 ARG 78 2HH1 ARG 78 -9.012 -0.816 -0.930 616 HH12 ARG 78 1HH1 ARG 78 -10.464 0.119 -0.794 617 HH21 ARG 78 2HH2 ARG 78 -8.998 3.091 -1.909 618 HH22 ARG 78 1HH2 ARG 78 -10.455 2.341 -1.352 619 H VAL 79 H VAL 79 -1.660 1.952 -3.862 620 HA VAL 79 HA VAL 79 -1.129 3.028 -1.168 621 HB VAL 79 HB VAL 79 0.818 1.851 -2.354 622 HG11 VAL 79 1HG1 VAL 79 2.053 3.280 -3.954 623 HG12 VAL 79 2HG1 VAL 79 0.497 2.730 -4.577 624 HG13 VAL 79 3HG1 VAL 79 0.678 4.383 -3.986 625 HG21 VAL 79 1HG2 VAL 79 2.139 3.019 -0.983 626 HG22 VAL 79 2HG2 VAL 79 1.824 4.533 -1.830 627 HG23 VAL 79 3HG2 VAL 79 0.702 3.965 -0.594 628 H ARG 80 H ARG 80 -0.973 5.267 -0.948 629 HA ARG 80 HA ARG 80 -1.518 6.924 -3.289 630 HB2 ARG 80 1HB ARG 80 -3.431 7.986 -2.366 631 HB3 ARG 80 2HB ARG 80 -3.709 6.256 -2.222 632 HG2 ARG 80 1HG ARG 80 -3.542 6.276 0.056 633 HG3 ARG 80 2HG ARG 80 -2.482 7.687 0.075 634 HD2 ARG 80 1HD ARG 80 -4.396 9.094 -0.591 635 HD3 ARG 80 2HD ARG 80 -5.438 7.674 -0.520 636 HE ARG 80 HE ARG 80 -4.011 8.180 1.922 637 HH11 ARG 80 2HH1 ARG 80 -6.860 8.923 0.064 638 HH12 ARG 80 1HH1 ARG 80 -7.799 9.384 1.445 639 HH21 ARG 80 2HH2 ARG 80 -5.237 8.784 3.748 640 HH22 ARG 80 1HH2 ARG 80 -6.875 9.305 3.540 641 H THR 81 H THR 81 -0.998 9.136 -3.007 642 HA THR 81 HA THR 81 1.104 9.566 -1.070 643 HB THR 81 HB THR 81 0.005 11.436 -3.178 644 HG1 THR 81 1HG THR 81 2.218 10.774 -4.061 645 HG21 THR 81 1HG2 THR 81 1.098 12.874 -1.745 646 HG22 THR 81 2HG2 THR 81 2.423 12.388 -2.804 647 HG23 THR 81 3HG2 THR 81 2.244 11.644 -1.215 648 H LEU 82 H LEU 82 0.479 10.022 0.951 649 HA LEU 82 HA LEU 82 -1.946 11.333 1.617 650 HB2 LEU 82 1HB LEU 82 0.463 10.406 3.077 651 HB3 LEU 82 2HB LEU 82 -0.545 11.617 3.867 652 HG LEU 82 HG LEU 82 -1.654 9.015 2.840 653 HD11 LEU 82 1HD1 LEU 82 -0.477 9.639 5.541 654 HD12 LEU 82 2HD1 LEU 82 0.033 8.388 4.408 655 HD13 LEU 82 3HD1 LEU 82 -1.529 8.261 5.215 656 HD21 LEU 82 1HD2 LEU 82 -3.124 11.031 3.365 657 HD22 LEU 82 2HD2 LEU 82 -2.679 10.771 5.052 658 HD23 LEU 82 3HD2 LEU 82 -3.530 9.509 4.159 659 H THR 83 H THR 83 -2.367 13.423 2.201 660 HA THR 83 HA THR 83 -0.160 15.358 1.992 661 HB THR 83 HB THR 83 -1.307 16.792 0.575 662 HG1 THR 83 1HG THR 83 -3.572 15.557 1.647 663 HG21 THR 83 1HG2 THR 83 -1.268 15.536 -1.272 664 HG22 THR 83 2HG2 THR 83 -2.673 14.607 -0.749 665 HG23 THR 83 3HG2 THR 83 -1.057 14.137 -0.220 666 HA PRO 84 HA PRO 84 -1.703 17.078 5.729 667 HB2 PRO 84 1HB PRO 84 -0.971 19.675 5.429 668 HB3 PRO 84 2HB PRO 84 0.188 18.382 5.760 669 HG2 PRO 84 1HG PRO 84 -0.508 19.682 3.155 670 HG3 PRO 84 2HG PRO 84 1.086 19.239 3.794 671 HD2 PRO 84 1HD PRO 84 -0.221 17.731 1.964 672 HD3 PRO 84 2HD PRO 84 0.852 17.027 3.191 673 H LEU 85 H LEU 85 -2.498 18.852 2.761 674 HA LEU 85 HA LEU 85 -5.119 19.491 3.942 675 HB2 LEU 85 1HB LEU 85 -3.269 21.193 2.319 676 HB3 LEU 85 2HB LEU 85 -5.006 21.489 2.295 677 HG LEU 85 HG LEU 85 -3.305 21.524 4.786 678 HD11 LEU 85 1HD1 LEU 85 -2.645 23.324 3.292 679 HD12 LEU 85 2HD1 LEU 85 -3.530 23.959 4.679 680 HD13 LEU 85 3HD1 LEU 85 -4.330 23.814 3.114 681 HD21 LEU 85 1HD2 LEU 85 -5.200 21.716 5.929 682 HD22 LEU 85 2HD2 LEU 85 -6.066 21.295 4.451 683 HD23 LEU 85 3HD2 LEU 85 -5.786 22.988 4.858 684 H GLY 86 H GLY 86 -6.186 17.768 3.002 685 HA2 GLY 86 1HA GLY 86 -7.599 16.998 1.316 686 HA3 GLY 86 2HA GLY 86 -6.837 18.120 0.199 687 HA PRO 87 HA PRO 87 -4.167 14.055 0.466 688 HB2 PRO 87 1HB PRO 87 -5.578 11.860 1.218 689 HB3 PRO 87 2HB PRO 87 -4.692 12.872 2.365 690 HG2 PRO 87 1HG PRO 87 -7.613 12.863 1.710 691 HG3 PRO 87 2HG PRO 87 -6.822 12.976 3.293 692 HD2 PRO 87 1HD PRO 87 -7.810 15.140 1.999 693 HD3 PRO 87 2HD PRO 87 -6.384 15.226 3.052 694 H GLY 88 H GLY 88 -3.932 12.630 -1.256 695 HA2 GLY 88 1HA GLY 88 -5.845 12.926 -3.377 696 HA3 GLY 88 2HA GLY 88 -4.347 12.008 -3.443 697 HA PRO 89 HA PRO 89 -8.179 9.225 -3.168 698 HB2 PRO 89 1HB PRO 89 -8.101 8.253 -5.702 699 HB3 PRO 89 2HB PRO 89 -9.013 9.700 -5.256 700 HG2 PRO 89 1HG PRO 89 -6.312 9.481 -6.528 701 HG3 PRO 89 2HG PRO 89 -7.648 10.578 -6.921 702 HD2 PRO 89 1HD PRO 89 -5.515 11.351 -5.444 703 HD3 PRO 89 2HD PRO 89 -7.141 12.017 -5.193 704 H PHE 90 H PHE 90 -8.173 6.839 -3.563 705 HA PHE 90 HA PHE 90 -5.487 5.789 -3.069 706 HB2 PHE 90 1HB PHE 90 -8.243 4.940 -2.351 707 HB3 PHE 90 2HB PHE 90 -7.055 3.665 -2.603 708 HD1 PHE 90 2HD PHE 90 -5.134 3.443 -1.130 709 HD2 PHE 90 1HD PHE 90 -8.084 6.443 -0.484 710 HE1 PHE 90 2HE PHE 90 -4.277 3.790 1.150 711 HE2 PHE 90 1HE PHE 90 -7.232 6.795 1.797 712 HZ PHE 90 HZ PHE 90 -5.326 5.467 2.617 713 H SER 91 H SER 91 -4.435 4.557 -4.492 714 HA SER 91 HA SER 91 -5.102 4.332 -7.141 715 HB2 SER 91 1HB SER 91 -3.223 3.021 -7.379 716 HB3 SER 91 2HB SER 91 -2.907 3.700 -5.782 717 HG SER 91 HG SER 91 -2.665 1.590 -5.432 718 HA PRO 92 HA PRO 92 -8.173 1.233 -7.601 719 HB2 PRO 92 1HB PRO 92 -7.436 0.085 -9.948 720 HB3 PRO 92 2HB PRO 92 -8.145 1.701 -9.850 721 HG2 PRO 92 1HG PRO 92 -5.271 0.907 -10.114 722 HG3 PRO 92 2HG PRO 92 -6.156 2.197 -10.948 723 HD2 PRO 92 1HD PRO 92 -4.538 2.674 -8.830 724 HD3 PRO 92 2HD PRO 92 -5.991 3.639 -9.157 725 H ASP 93 H ASP 93 -8.518 -0.775 -6.852 726 HA ASP 93 HA ASP 93 -6.702 -2.324 -5.574 727 HB2 ASP 93 1HB ASP 93 -8.272 -4.291 -6.130 728 HB3 ASP 93 2HB ASP 93 -8.953 -2.913 -5.270 729 H HIS 94 H HIS 94 -4.834 -3.127 -6.251 730 HA HIS 94 HA HIS 94 -4.534 -3.975 -9.030 731 HB2 HIS 94 1HB HIS 94 -2.604 -3.355 -6.813 732 HB3 HIS 94 2HB HIS 94 -2.078 -4.255 -8.233 733 HD1 HIS 94 1HD HIS 94 -3.640 -0.911 -7.355 734 HD2 HIS 94 2HD HIS 94 -1.404 -2.702 -10.365 735 HE1 HIS 94 1HE HIS 94 -3.028 0.947 -8.935 736 HE2 HIS 94 2HE HIS 94 -1.748 -0.174 -10.792 737 H GLU 95 H GLU 95 -5.171 -6.001 -9.407 738 HA GLU 95 HA GLU 95 -5.214 -8.051 -7.451 739 HB2 GLU 95 1HB GLU 95 -6.734 -8.050 -9.369 740 HB3 GLU 95 2HB GLU 95 -5.372 -8.243 -10.464 741 HG2 GLU 95 1HG GLU 95 -4.894 -10.392 -9.116 742 HG3 GLU 95 2HG GLU 95 -6.560 -10.220 -8.566 743 H PHE 96 H PHE 96 -3.417 -8.856 -6.584 744 HA PHE 96 HA PHE 96 -1.202 -9.564 -8.393 745 HB2 PHE 96 1HB PHE 96 -1.129 -8.415 -5.610 746 HB3 PHE 96 2HB PHE 96 0.248 -9.277 -6.290 747 HD1 PHE 96 1HD PHE 96 0.821 -8.441 -8.795 748 HD2 PHE 96 2HD PHE 96 -1.064 -6.136 -5.754 749 HE1 PHE 96 1HE PHE 96 1.569 -6.375 -9.902 750 HE2 PHE 96 2HE PHE 96 -0.320 -4.067 -6.856 751 HZ PHE 96 HZ PHE 96 0.997 -4.184 -8.933 752 H ARG 97 H ARG 97 0.024 -11.444 -7.825 753 HA ARG 97 HA ARG 97 -1.289 -13.265 -5.931 754 HB2 ARG 97 1HB ARG 97 -2.128 -13.890 -8.112 755 HB3 ARG 97 2HB ARG 97 -0.499 -13.913 -8.774 756 HG2 ARG 97 1HG ARG 97 0.069 -15.864 -7.598 757 HG3 ARG 97 2HG ARG 97 -1.334 -15.727 -6.536 758 HD2 ARG 97 1HD ARG 97 -1.615 -16.089 -9.504 759 HD3 ARG 97 2HD ARG 97 -1.428 -17.462 -8.413 760 HE ARG 97 HE ARG 97 -3.526 -15.685 -7.614 761 HH11 ARG 97 2HH1 ARG 97 -2.706 -18.338 -9.715 762 HH12 ARG 97 1HH1 ARG 97 -4.334 -18.916 -9.837 763 HH21 ARG 97 2HH2 ARG 97 -5.674 -16.436 -7.767 764 HH22 ARG 97 1HH2 ARG 97 -6.023 -17.833 -8.729 765 H THR 98 H THR 98 0.068 -14.478 -4.725 766 HA THR 98 HA THR 98 2.876 -13.855 -4.824 767 HB THR 98 HB THR 98 3.050 -15.354 -2.849 768 HG1 THR 98 1HG THR 98 1.330 -16.486 -2.162 769 HG21 THR 98 1HG2 THR 98 0.996 -13.162 -2.893 770 HG22 THR 98 2HG2 THR 98 2.654 -13.112 -2.292 771 HG23 THR 98 3HG2 THR 98 1.418 -13.998 -1.399 772 H SER 99 H SER 99 4.502 -15.665 -4.596 773 HA SER 99 HA SER 99 4.407 -17.293 -6.907 774 HB2 SER 99 1HB SER 99 6.467 -16.372 -5.637 775 HB3 SER 99 2HB SER 99 6.282 -17.790 -4.605 776 HG SER 99 HG SER 99 7.155 -17.599 -7.216 777 HA PRO 100 HA PRO 100 2.258 -20.845 -5.441 778 HB2 PRO 100 1HB PRO 100 3.208 -22.671 -7.211 779 HB3 PRO 100 2HB PRO 100 2.031 -21.429 -7.652 780 HG2 PRO 100 1HG PRO 100 4.993 -21.468 -8.082 781 HG3 PRO 100 2HG PRO 100 3.707 -20.963 -9.194 782 HD2 PRO 100 1HD PRO 100 5.190 -19.192 -7.781 783 HD3 PRO 100 2HD PRO 100 3.492 -18.892 -8.205 784 HA PRO 101 HA PRO 101 4.975 -22.980 -2.701 785 HB2 PRO 101 1HB PRO 101 3.463 -25.179 -2.202 786 HB3 PRO 101 2HB PRO 101 3.089 -23.585 -1.537 787 HG2 PRO 101 1HG PRO 101 1.907 -24.971 -3.912 788 HG3 PRO 101 2HG PRO 101 1.093 -24.042 -2.639 789 HD2 PRO 101 1HD PRO 101 1.637 -23.003 -5.080 790 HD3 PRO 101 2HD PRO 101 1.624 -22.017 -3.603 791 H SER 102 H SER 102 5.892 -25.253 -2.367 792 HA SER 102 HA SER 102 6.996 -26.129 -4.881 793 HB2 SER 102 1HB SER 102 7.461 -26.968 -2.017 794 HB3 SER 102 2HB SER 102 8.263 -27.749 -3.380 795 HG SER 102 HG SER 102 8.827 -25.416 -3.921 796 H GLY 103 H GLY 103 5.077 -26.951 -5.884 797 HA2 GLY 103 1HA GLY 103 3.499 -28.556 -6.388 798 HA3 GLY 103 2HA GLY 103 4.793 -29.662 -5.952 799 HA PRO 104 HA PRO 104 1.269 -30.587 -3.141 800 HB2 PRO 104 1HB PRO 104 1.646 -33.275 -3.202 801 HB3 PRO 104 2HB PRO 104 0.701 -32.410 -4.419 802 HG2 PRO 104 1HG PRO 104 3.534 -33.367 -4.549 803 HG3 PRO 104 2HG PRO 104 2.267 -33.451 -5.787 804 HD2 PRO 104 1HD PRO 104 4.212 -31.567 -5.819 805 HD3 PRO 104 2HD PRO 104 2.574 -31.259 -6.430 806 H SER 105 H SER 105 1.296 -31.848 -1.082 807 HA SER 105 HA SER 105 3.996 -31.851 0.103 808 HB2 SER 105 1HB SER 105 2.561 -30.028 0.967 809 HB3 SER 105 2HB SER 105 1.374 -31.225 1.485 810 HG SER 105 HG SER 105 3.231 -30.355 2.959 811 H SER 106 H SER 106 4.687 -33.791 0.678 812 HA SER 106 HA SER 106 2.728 -35.928 1.120 813 HB2 SER 106 1HB SER 106 4.617 -36.177 -0.576 814 HB3 SER 106 2HB SER 106 5.712 -36.265 0.804 815 HG SER 106 HG SER 106 5.222 -38.324 0.623 816 H GLY 107 H GLY 107 2.983 -34.074 3.181 817 HA2 GLY 107 1HA GLY 107 3.255 -35.646 5.428 818 HA3 GLY 107 2HA GLY 107 4.842 -34.937 5.169 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.235 -3.587 -17.295 2 HA2 GLY 1 1HA GLY 1 -5.697 -5.061 -18.942 3 HA3 GLY 1 2HA GLY 1 -5.638 -5.263 -17.197 4 H SER 2 H SER 2 -6.645 -7.023 -16.241 5 HA SER 2 HA SER 2 -6.888 -9.333 -17.900 6 HB2 SER 2 1HB SER 2 -7.540 -10.463 -15.742 7 HB3 SER 2 2HB SER 2 -5.991 -9.621 -15.690 8 HG SER 2 HG SER 2 -8.231 -8.151 -14.959 9 H SER 3 H SER 3 -8.955 -6.860 -17.498 10 HA SER 3 HA SER 3 -11.232 -8.467 -18.313 11 HB2 SER 3 1HB SER 3 -11.376 -6.642 -15.900 12 HB3 SER 3 2HB SER 3 -12.747 -7.460 -16.649 13 HG SER 3 HG SER 3 -11.702 -9.453 -16.140 14 H GLY 4 H GLY 4 -12.986 -7.173 -19.197 15 HA2 GLY 4 1HA GLY 4 -11.995 -5.003 -20.763 16 HA3 GLY 4 2HA GLY 4 -13.655 -5.579 -20.719 17 H SER 5 H SER 5 -11.603 -3.058 -19.932 18 HA SER 5 HA SER 5 -13.604 -1.916 -18.092 19 HB2 SER 5 1HB SER 5 -11.585 -2.234 -16.847 20 HB3 SER 5 2HB SER 5 -10.603 -1.553 -18.144 21 HG SER 5 HG SER 5 -12.473 -0.187 -16.505 22 H SER 6 H SER 6 -14.799 -0.516 -19.203 23 HA SER 6 HA SER 6 -13.699 0.949 -21.446 24 HB2 SER 6 1HB SER 6 -15.990 1.777 -21.755 25 HB3 SER 6 2HB SER 6 -15.978 0.022 -21.576 26 HG SER 6 HG SER 6 -17.516 0.592 -20.190 27 H GLY 7 H GLY 7 -12.400 1.626 -19.094 28 HA2 GLY 7 1HA GLY 7 -13.051 4.469 -18.957 29 HA3 GLY 7 2HA GLY 7 -13.083 3.578 -17.442 30 H ALA 8 H ALA 8 -11.311 5.757 -18.685 31 HA ALA 8 HA ALA 8 -8.708 4.521 -18.795 32 HB1 ALA 8 1HB ALA 8 -9.547 6.641 -20.039 33 HB2 ALA 8 2HB ALA 8 -9.121 7.471 -18.542 34 HB3 ALA 8 3HB ALA 8 -7.890 6.583 -19.439 35 H GLU 9 H GLU 9 -7.355 4.196 -17.151 36 HA GLU 9 HA GLU 9 -8.141 4.688 -14.475 37 HB2 GLU 9 1HB GLU 9 -5.903 3.838 -13.882 38 HB3 GLU 9 2HB GLU 9 -6.727 2.796 -15.033 39 HG2 GLU 9 1HG GLU 9 -5.406 4.175 -16.803 40 HG3 GLU 9 2HG GLU 9 -4.364 4.566 -15.436 41 H SER 10 H SER 10 -8.417 6.827 -14.009 42 HA SER 10 HA SER 10 -6.457 8.806 -14.727 43 HB2 SER 10 1HB SER 10 -9.055 8.815 -13.242 44 HB3 SER 10 2HB SER 10 -7.962 10.185 -13.053 45 HG SER 10 HG SER 10 -8.368 10.792 -15.038 46 H LEU 11 H LEU 11 -4.523 8.515 -13.752 47 HA LEU 11 HA LEU 11 -4.433 8.897 -10.865 48 HB2 LEU 11 1HB LEU 11 -4.380 6.398 -11.525 49 HB3 LEU 11 2HB LEU 11 -2.744 6.742 -12.081 50 HG LEU 11 HG LEU 11 -2.143 7.449 -9.797 51 HD11 LEU 11 1HD1 LEU 11 -5.034 7.025 -9.384 52 HD12 LEU 11 2HD1 LEU 11 -3.926 8.155 -8.606 53 HD13 LEU 11 3HD1 LEU 11 -3.966 6.468 -8.096 54 HD21 LEU 11 1HD2 LEU 11 -2.838 4.988 -8.842 55 HD22 LEU 11 2HD2 LEU 11 -1.445 5.323 -9.870 56 HD23 LEU 11 3HD2 LEU 11 -2.953 4.751 -10.585 57 H SER 12 H SER 12 -2.631 9.977 -10.158 58 HA SER 12 HA SER 12 -1.217 11.539 -12.027 59 HB2 SER 12 1HB SER 12 -1.695 11.964 -9.502 60 HB3 SER 12 2HB SER 12 -0.202 11.063 -9.239 61 HG SER 12 HG SER 12 0.902 12.716 -9.926 62 H GLY 13 H GLY 13 -0.025 8.942 -9.884 63 HA2 GLY 13 1HA GLY 13 1.504 7.634 -11.819 64 HA3 GLY 13 2HA GLY 13 2.547 8.820 -11.048 65 H LEU 14 H LEU 14 -0.022 6.748 -9.723 66 HA LEU 14 HA LEU 14 1.994 5.581 -7.919 67 HB2 LEU 14 1HB LEU 14 -0.804 6.506 -7.391 68 HB3 LEU 14 2HB LEU 14 -0.061 5.270 -6.379 69 HG LEU 14 HG LEU 14 0.981 8.075 -6.774 70 HD11 LEU 14 1HD1 LEU 14 0.110 7.190 -4.121 71 HD12 LEU 14 2HD1 LEU 14 -1.187 7.350 -5.305 72 HD13 LEU 14 3HD1 LEU 14 -0.143 8.726 -4.950 73 HD21 LEU 14 1HD2 LEU 14 2.361 7.355 -4.730 74 HD22 LEU 14 2HD2 LEU 14 2.857 6.767 -6.318 75 HD23 LEU 14 3HD2 LEU 14 1.970 5.707 -5.222 76 H SER 15 H SER 15 1.908 4.174 -10.042 77 HA SER 15 HA SER 15 -0.223 2.178 -9.890 78 HB2 SER 15 1HB SER 15 1.999 2.519 -11.919 79 HB3 SER 15 2HB SER 15 0.691 1.340 -12.021 80 HG SER 15 HG SER 15 0.616 3.671 -13.036 81 H LEU 16 H LEU 16 0.149 0.710 -8.343 82 HA LEU 16 HA LEU 16 2.614 -0.066 -7.317 83 HB2 LEU 16 1HB LEU 16 -0.043 -1.464 -7.419 84 HB3 LEU 16 2HB LEU 16 1.353 -2.158 -6.596 85 HG LEU 16 HG LEU 16 0.477 0.591 -5.851 86 HD11 LEU 16 1HD1 LEU 16 -0.921 -0.748 -4.059 87 HD12 LEU 16 2HD1 LEU 16 -1.046 -1.915 -5.375 88 HD13 LEU 16 3HD1 LEU 16 -1.622 -0.264 -5.603 89 HD21 LEU 16 1HD2 LEU 16 2.539 -0.653 -4.987 90 HD22 LEU 16 2HD2 LEU 16 1.400 -1.656 -4.089 91 HD23 LEU 16 3HD2 LEU 16 1.467 0.082 -3.795 92 H LYS 17 H LYS 17 3.959 -1.835 -7.664 93 HA LYS 17 HA LYS 17 3.478 -3.433 -10.076 94 HB2 LYS 17 1HB LYS 17 5.494 -2.927 -11.077 95 HB3 LYS 17 2HB LYS 17 5.073 -1.374 -10.369 96 HG2 LYS 17 1HG LYS 17 6.624 -1.621 -8.628 97 HG3 LYS 17 2HG LYS 17 6.820 -3.348 -8.937 98 HD2 LYS 17 1HD LYS 17 7.496 -1.435 -11.115 99 HD3 LYS 17 2HD LYS 17 8.611 -1.583 -9.754 100 HE2 LYS 17 1HE LYS 17 8.403 -4.128 -10.177 101 HE3 LYS 17 2HE LYS 17 7.779 -3.652 -11.755 102 HZ1 LYS 17 1HZ LYS 17 10.371 -2.691 -10.688 103 HZ2 LYS 17 2HZ LYS 17 9.794 -2.563 -12.272 104 HZ3 LYS 17 3HZ LYS 17 10.227 -4.075 -11.650 105 H LEU 18 H LEU 18 4.724 -5.409 -10.164 106 HA LEU 18 HA LEU 18 5.206 -6.476 -7.490 107 HB2 LEU 18 1HB LEU 18 3.721 -7.739 -8.916 108 HB3 LEU 18 2HB LEU 18 4.952 -7.821 -10.175 109 HG LEU 18 HG LEU 18 6.331 -9.237 -8.721 110 HD11 LEU 18 1HD1 LEU 18 4.430 -10.062 -6.802 111 HD12 LEU 18 2HD1 LEU 18 4.537 -8.304 -6.717 112 HD13 LEU 18 3HD1 LEU 18 5.991 -9.285 -6.534 113 HD21 LEU 18 1HD2 LEU 18 3.603 -10.465 -8.784 114 HD22 LEU 18 2HD2 LEU 18 5.169 -11.200 -9.130 115 HD23 LEU 18 3HD2 LEU 18 4.446 -10.077 -10.283 116 H VAL 19 H VAL 19 7.227 -5.776 -6.916 117 HA VAL 19 HA VAL 19 9.471 -5.872 -8.681 118 HB VAL 19 HB VAL 19 9.035 -5.181 -5.833 119 HG11 VAL 19 1HG1 VAL 19 11.508 -5.125 -5.445 120 HG12 VAL 19 2HG1 VAL 19 10.811 -6.745 -5.521 121 HG13 VAL 19 3HG1 VAL 19 11.698 -6.099 -6.903 122 HG21 VAL 19 1HG2 VAL 19 9.308 -3.181 -6.762 123 HG22 VAL 19 2HG2 VAL 19 11.001 -3.587 -7.040 124 HG23 VAL 19 3HG2 VAL 19 9.800 -3.907 -8.291 125 H LYS 20 H LYS 20 8.632 -7.744 -5.762 126 HA LYS 20 HA LYS 20 10.105 -10.018 -6.900 127 HB2 LYS 20 1HB LYS 20 11.586 -9.064 -5.260 128 HB3 LYS 20 2HB LYS 20 10.291 -8.970 -4.073 129 HG2 LYS 20 1HG LYS 20 10.264 -11.297 -3.760 130 HG3 LYS 20 2HG LYS 20 11.219 -11.585 -5.217 131 HD2 LYS 20 1HD LYS 20 12.334 -9.983 -2.942 132 HD3 LYS 20 2HD LYS 20 12.375 -11.747 -2.909 133 HE2 LYS 20 1HE LYS 20 13.639 -11.799 -4.961 134 HE3 LYS 20 2HE LYS 20 13.489 -10.052 -5.141 135 HZ1 LYS 20 1HZ LYS 20 15.384 -9.889 -4.030 136 HZ2 LYS 20 2HZ LYS 20 15.398 -11.539 -3.660 137 HZ3 LYS 20 3HZ LYS 20 14.588 -10.453 -2.648 138 H LYS 21 H LYS 21 8.914 -11.802 -6.982 139 HA LYS 21 HA LYS 21 6.442 -11.912 -5.407 140 HB2 LYS 21 1HB LYS 21 5.781 -12.286 -7.572 141 HB3 LYS 21 2HB LYS 21 7.307 -13.036 -8.023 142 HG2 LYS 21 1HG LYS 21 6.687 -15.105 -7.154 143 HG3 LYS 21 2HG LYS 21 5.397 -14.410 -6.170 144 HD2 LYS 21 1HD LYS 21 4.276 -15.445 -7.945 145 HD3 LYS 21 2HD LYS 21 4.319 -13.739 -8.396 146 HE2 LYS 21 1HE LYS 21 6.017 -14.090 -9.978 147 HE3 LYS 21 2HE LYS 21 6.431 -15.668 -9.310 148 HZ1 LYS 21 1HZ LYS 21 5.114 -16.527 -10.855 149 HZ2 LYS 21 2HZ LYS 21 4.519 -15.010 -11.308 150 HZ3 LYS 21 3HZ LYS 21 3.790 -15.860 -10.040 151 H GLU 22 H GLU 22 6.246 -13.269 -3.751 152 HA GLU 22 HA GLU 22 7.849 -15.709 -3.671 153 HB2 GLU 22 1HB GLU 22 7.996 -13.463 -1.695 154 HB3 GLU 22 2HB GLU 22 8.234 -15.117 -1.149 155 HG2 GLU 22 1HG GLU 22 9.793 -14.012 -3.451 156 HG3 GLU 22 2HG GLU 22 10.288 -13.721 -1.784 157 HA PRO 23 HA PRO 23 4.250 -17.549 -1.967 158 HB2 PRO 23 1HB PRO 23 5.301 -19.383 -0.264 159 HB3 PRO 23 2HB PRO 23 5.373 -19.553 -2.022 160 HG2 PRO 23 1HG PRO 23 7.474 -18.577 -0.125 161 HG3 PRO 23 2HG PRO 23 7.638 -19.672 -1.510 162 HD2 PRO 23 1HD PRO 23 8.305 -17.051 -1.639 163 HD3 PRO 23 2HD PRO 23 7.667 -17.944 -3.034 164 H ARG 24 H ARG 24 6.657 -16.375 0.320 165 HA ARG 24 HA ARG 24 4.475 -15.736 2.188 166 HB2 ARG 24 1HB ARG 24 7.242 -16.655 2.988 167 HB3 ARG 24 2HB ARG 24 5.919 -16.252 4.074 168 HG2 ARG 24 1HG ARG 24 4.682 -18.159 3.431 169 HG3 ARG 24 2HG ARG 24 5.745 -18.471 2.058 170 HD2 ARG 24 1HD ARG 24 6.462 -20.022 3.625 171 HD3 ARG 24 2HD ARG 24 7.599 -18.693 3.844 172 HE ARG 24 HE ARG 24 5.378 -18.417 5.584 173 HH11 ARG 24 2HH1 ARG 24 8.314 -20.230 5.129 174 HH12 ARG 24 1HH1 ARG 24 8.533 -20.549 6.817 175 HH21 ARG 24 2HH2 ARG 24 5.655 -18.829 7.810 176 HH22 ARG 24 1HH2 ARG 24 7.020 -19.752 8.342 177 H GLN 25 H GLN 25 5.832 -14.143 0.121 178 HA GLN 25 HA GLN 25 6.304 -11.800 1.692 179 HB2 GLN 25 1HB GLN 25 8.506 -12.897 1.880 180 HB3 GLN 25 2HB GLN 25 8.629 -12.934 0.126 181 HG2 GLN 25 1HG GLN 25 8.654 -10.519 0.042 182 HG3 GLN 25 2HG GLN 25 8.427 -10.433 1.788 183 HE21 GLN 25 1HE2 GLN 25 10.643 -10.025 -0.499 184 HE22 GLN 25 2HE2 GLN 25 12.077 -10.473 0.353 185 H LEU 26 H LEU 26 6.478 -9.880 0.407 186 HA LEU 26 HA LEU 26 6.203 -10.117 -2.468 187 HB2 LEU 26 1HB LEU 26 3.973 -9.306 -0.657 188 HB3 LEU 26 2HB LEU 26 4.112 -8.564 -2.249 189 HG LEU 26 HG LEU 26 3.837 -11.525 -1.737 190 HD11 LEU 26 1HD1 LEU 26 1.815 -9.460 -2.586 191 HD12 LEU 26 2HD1 LEU 26 1.795 -10.436 -1.117 192 HD13 LEU 26 3HD1 LEU 26 1.566 -11.204 -2.688 193 HD21 LEU 26 1HD2 LEU 26 4.597 -11.698 -3.823 194 HD22 LEU 26 2HD2 LEU 26 4.543 -9.952 -4.067 195 HD23 LEU 26 3HD2 LEU 26 3.097 -10.927 -4.338 196 H GLU 27 H GLU 27 7.259 -8.497 -3.407 197 HA GLU 27 HA GLU 27 7.705 -6.038 -1.845 198 HB2 GLU 27 1HB GLU 27 9.710 -7.556 -2.339 199 HB3 GLU 27 2HB GLU 27 9.536 -7.047 -4.013 200 HG2 GLU 27 1HG GLU 27 9.884 -4.735 -3.375 201 HG3 GLU 27 2HG GLU 27 9.991 -5.202 -1.679 202 H LEU 28 H LEU 28 7.052 -4.172 -2.709 203 HA LEU 28 HA LEU 28 6.565 -4.029 -5.599 204 HB2 LEU 28 1HB LEU 28 4.628 -2.735 -3.741 205 HB3 LEU 28 2HB LEU 28 4.402 -3.267 -5.406 206 HG LEU 28 HG LEU 28 4.686 -5.184 -3.101 207 HD11 LEU 28 1HD1 LEU 28 2.382 -5.257 -2.819 208 HD12 LEU 28 2HD1 LEU 28 2.069 -4.427 -4.343 209 HD13 LEU 28 3HD1 LEU 28 2.715 -3.531 -2.968 210 HD21 LEU 28 1HD2 LEU 28 3.261 -5.713 -5.667 211 HD22 LEU 28 2HD2 LEU 28 4.078 -6.835 -4.579 212 HD23 LEU 28 3HD2 LEU 28 5.023 -5.777 -5.628 213 H THR 29 H THR 29 6.486 -1.855 -6.442 214 HA THR 29 HA THR 29 7.434 0.271 -4.687 215 HB THR 29 HB THR 29 9.515 -0.712 -5.463 216 HG1 THR 29 1HG THR 29 10.334 1.183 -6.548 217 HG21 THR 29 1HG2 THR 29 10.054 -1.139 -7.687 218 HG22 THR 29 2HG2 THR 29 8.788 -0.075 -8.301 219 HG23 THR 29 3HG2 THR 29 8.365 -1.635 -7.595 220 H TRP 30 H TRP 30 6.671 2.231 -5.252 221 HA TRP 30 HA TRP 30 5.458 2.521 -7.919 222 HB2 TRP 30 1HB TRP 30 3.684 3.923 -6.820 223 HB3 TRP 30 2HB TRP 30 3.628 2.213 -6.402 224 HD1 TRP 30 HD TRP 30 4.396 5.642 -4.893 225 HE1 TRP 30 1HE TRP 30 4.430 5.423 -2.328 226 HE3 TRP 30 3HE TRP 30 4.053 0.555 -4.506 227 HZ2 TRP 30 2HZ TRP 30 4.326 3.367 -0.397 228 HZ3 TRP 30 3HZ TRP 30 4.026 -0.458 -2.264 229 HH2 TRP 30 HH TRP 30 4.161 0.921 -0.253 230 H ALA 31 H ALA 31 6.581 4.003 -8.988 231 HA ALA 31 HA ALA 31 7.556 6.362 -7.511 232 HB1 ALA 31 1HB ALA 31 9.188 4.642 -8.658 233 HB2 ALA 31 2HB ALA 31 8.787 5.571 -10.102 234 HB3 ALA 31 3HB ALA 31 9.505 6.376 -8.707 235 H GLY 32 H GLY 32 6.356 5.249 -10.672 236 HA2 GLY 32 1HA GLY 32 4.485 6.475 -11.658 237 HA3 GLY 32 2HA GLY 32 5.229 7.952 -11.062 238 H SER 33 H SER 33 4.689 8.293 -13.505 239 HA SER 33 HA SER 33 6.340 7.155 -15.475 240 HB2 SER 33 1HB SER 33 4.341 8.304 -16.148 241 HB3 SER 33 2HB SER 33 4.878 9.801 -15.384 242 HG SER 33 HG SER 33 5.274 9.064 -17.862 243 H ARG 34 H ARG 34 6.576 10.368 -13.941 244 HA ARG 34 HA ARG 34 9.484 10.182 -14.060 245 HB2 ARG 34 1HB ARG 34 9.745 12.340 -15.135 246 HB3 ARG 34 2HB ARG 34 8.804 11.275 -16.170 247 HG2 ARG 34 1HG ARG 34 7.557 13.159 -16.352 248 HG3 ARG 34 2HG ARG 34 6.786 12.452 -14.930 249 HD2 ARG 34 1HD ARG 34 7.141 14.616 -14.229 250 HD3 ARG 34 2HD ARG 34 8.590 13.811 -13.628 251 HE ARG 34 HE ARG 34 9.855 15.000 -15.141 252 HH11 ARG 34 2HH1 ARG 34 6.469 15.407 -15.842 253 HH12 ARG 34 1HH1 ARG 34 6.725 16.687 -16.981 254 HH21 ARG 34 2HH2 ARG 34 10.205 16.686 -16.638 255 HH22 ARG 34 1HH2 ARG 34 8.850 17.414 -17.433 256 HA PRO 35 HA PRO 35 9.127 12.065 -10.097 257 HB2 PRO 35 1HB PRO 35 11.659 13.009 -9.841 258 HB3 PRO 35 2HB PRO 35 11.256 11.293 -9.707 259 HG2 PRO 35 1HG PRO 35 12.371 12.800 -12.041 260 HG3 PRO 35 2HG PRO 35 12.832 11.207 -11.414 261 HD2 PRO 35 1HD PRO 35 11.227 11.514 -13.573 262 HD3 PRO 35 2HD PRO 35 11.066 10.149 -12.450 263 H ARG 36 H ARG 36 8.096 13.907 -9.681 264 HA ARG 36 HA ARG 36 9.254 16.438 -10.525 265 HB2 ARG 36 1HB ARG 36 7.755 15.902 -12.369 266 HB3 ARG 36 2HB ARG 36 6.434 15.622 -11.243 267 HG2 ARG 36 1HG ARG 36 6.093 17.849 -10.867 268 HG3 ARG 36 2HG ARG 36 7.769 18.276 -11.220 269 HD2 ARG 36 1HD ARG 36 6.071 17.185 -13.411 270 HD3 ARG 36 2HD ARG 36 5.827 18.855 -12.901 271 HE ARG 36 HE ARG 36 8.076 17.790 -14.349 272 HH11 ARG 36 2HH1 ARG 36 6.925 20.361 -12.303 273 HH12 ARG 36 1HH1 ARG 36 8.120 21.497 -12.838 274 HH21 ARG 36 2HH2 ARG 36 9.654 19.276 -15.060 275 HH22 ARG 36 1HH2 ARG 36 9.671 20.879 -14.406 276 H ASN 37 H ASN 37 9.459 17.452 -8.641 277 HA ASN 37 HA ASN 37 7.101 17.695 -6.923 278 HB2 ASN 37 1HB ASN 37 9.837 17.140 -5.774 279 HB3 ASN 37 2HB ASN 37 8.296 17.179 -4.922 280 HD21 ASN 37 1HD2 ASN 37 10.366 15.080 -5.190 281 HD22 ASN 37 2HD2 ASN 37 9.525 13.685 -5.767 282 HA PRO 38 HA PRO 38 8.249 21.946 -6.913 283 HB2 PRO 38 1HB PRO 38 6.879 22.748 -4.711 284 HB3 PRO 38 2HB PRO 38 6.091 22.370 -6.247 285 HG2 PRO 38 1HG PRO 38 6.376 20.675 -3.796 286 HG3 PRO 38 2HG PRO 38 4.961 20.904 -4.840 287 HD2 PRO 38 1HD PRO 38 6.564 18.728 -5.015 288 HD3 PRO 38 2HD PRO 38 5.732 19.418 -6.424 289 H GLY 39 H GLY 39 8.678 19.981 -4.023 290 HA2 GLY 39 1HA GLY 39 11.165 20.275 -3.326 291 HA3 GLY 39 2HA GLY 39 10.628 21.911 -2.975 292 H GLY 40 H GLY 40 10.353 18.536 -2.063 293 HA2 GLY 40 1HA GLY 40 10.427 18.489 0.528 294 HA3 GLY 40 2HA GLY 40 8.883 19.311 0.363 295 H ASN 41 H ASN 41 10.580 16.298 0.071 296 HA ASN 41 HA ASN 41 8.870 14.644 -1.242 297 HB2 ASN 41 1HB ASN 41 9.642 12.826 0.237 298 HB3 ASN 41 2HB ASN 41 10.971 13.865 -0.269 299 HD21 ASN 41 1HD2 ASN 41 10.143 12.126 2.188 300 HD22 ASN 41 2HD2 ASN 41 10.631 13.113 3.519 301 H LEU 42 H LEU 42 7.260 13.082 -0.433 302 HA LEU 42 HA LEU 42 5.627 14.188 1.753 303 HB2 LEU 42 1HB LEU 42 4.681 13.101 -0.893 304 HB3 LEU 42 2HB LEU 42 3.623 13.473 0.467 305 HG LEU 42 HG LEU 42 4.811 15.856 0.186 306 HD11 LEU 42 1HD1 LEU 42 4.584 14.944 -2.662 307 HD12 LEU 42 2HD1 LEU 42 6.109 14.860 -1.781 308 HD13 LEU 42 3HD1 LEU 42 5.317 16.416 -2.023 309 HD21 LEU 42 1HD2 LEU 42 2.501 14.908 -1.505 310 HD22 LEU 42 2HD2 LEU 42 2.836 16.568 -1.013 311 HD23 LEU 42 3HD2 LEU 42 2.395 15.362 0.196 312 H SER 43 H SER 43 3.778 12.435 2.207 313 HA SER 43 HA SER 43 5.240 9.974 2.830 314 HB2 SER 43 1HB SER 43 2.591 10.933 3.935 315 HB3 SER 43 2HB SER 43 3.553 9.581 4.532 316 HG SER 43 HG SER 43 3.707 12.105 5.260 317 H TYR 44 H TYR 44 3.676 7.992 2.983 318 HA TYR 44 HA TYR 44 1.770 7.936 0.773 319 HB2 TYR 44 1HB TYR 44 3.945 5.853 0.959 320 HB3 TYR 44 2HB TYR 44 2.784 6.093 -0.343 321 HD1 TYR 44 2HD TYR 44 2.911 8.756 -1.168 322 HD2 TYR 44 1HD TYR 44 6.097 6.376 0.346 323 HE1 TYR 44 2HE TYR 44 4.530 10.179 -2.352 324 HE2 TYR 44 1HE TYR 44 7.724 7.794 -0.834 325 HH TYR 44 HH TYR 44 7.018 9.764 -3.273 326 H GLU 45 H GLU 45 0.013 6.801 1.287 327 HA GLU 45 HA GLU 45 0.085 5.171 3.720 328 HB2 GLU 45 1HB GLU 45 -1.593 6.913 3.714 329 HB3 GLU 45 2HB GLU 45 -2.222 6.354 2.170 330 HG2 GLU 45 1HG GLU 45 -3.632 5.699 4.069 331 HG3 GLU 45 2HG GLU 45 -3.011 4.315 3.171 332 H LEU 46 H LEU 46 0.160 3.038 3.566 333 HA LEU 46 HA LEU 46 -0.629 1.773 1.035 334 HB2 LEU 46 1HB LEU 46 1.703 1.529 2.244 335 HB3 LEU 46 2HB LEU 46 0.837 0.308 3.173 336 HG LEU 46 HG LEU 46 2.087 -0.701 1.346 337 HD11 LEU 46 1HD1 LEU 46 -0.567 -1.078 0.223 338 HD12 LEU 46 2HD1 LEU 46 -0.550 -1.164 1.984 339 HD13 LEU 46 3HD1 LEU 46 0.494 -2.227 1.040 340 HD21 LEU 46 1HD2 LEU 46 2.052 1.256 -0.160 341 HD22 LEU 46 2HD2 LEU 46 0.348 0.943 -0.491 342 HD23 LEU 46 3HD2 LEU 46 1.571 -0.237 -0.967 343 H HIS 47 H HIS 47 -2.310 0.417 0.936 344 HA HIS 47 HA HIS 47 -3.434 -0.627 3.443 345 HB2 HIS 47 1HB HIS 47 -4.741 1.352 2.717 346 HB3 HIS 47 2HB HIS 47 -5.061 0.553 1.180 347 HD1 HIS 47 1HD HIS 47 -7.616 0.951 2.035 348 HD2 HIS 47 2HD HIS 47 -5.389 -1.930 4.034 349 HE1 HIS 47 1HE HIS 47 -9.295 -0.473 3.249 350 HE2 HIS 47 2HE HIS 47 -7.919 -2.157 4.519 351 H VAL 48 H VAL 48 -3.213 -2.760 3.305 352 HA VAL 48 HA VAL 48 -3.567 -4.071 0.701 353 HB VAL 48 HB VAL 48 -2.365 -5.161 3.251 354 HG11 VAL 48 1HG1 VAL 48 -2.437 -6.370 0.488 355 HG12 VAL 48 2HG1 VAL 48 -1.690 -7.072 1.925 356 HG13 VAL 48 3HG1 VAL 48 -3.442 -6.877 1.845 357 HG21 VAL 48 1HG2 VAL 48 -0.328 -4.527 2.536 358 HG22 VAL 48 2HG2 VAL 48 -0.705 -4.853 0.844 359 HG23 VAL 48 3HG2 VAL 48 -1.230 -3.343 1.590 360 H LEU 49 H LEU 49 -5.230 -5.404 0.309 361 HA LEU 49 HA LEU 49 -6.959 -6.159 2.572 362 HB2 LEU 49 1HB LEU 49 -7.756 -5.324 -0.210 363 HB3 LEU 49 2HB LEU 49 -8.862 -6.034 0.964 364 HG LEU 49 HG LEU 49 -8.221 -4.044 2.463 365 HD11 LEU 49 1HD1 LEU 49 -6.942 -2.399 1.676 366 HD12 LEU 49 2HD1 LEU 49 -7.773 -2.384 0.121 367 HD13 LEU 49 3HD1 LEU 49 -6.461 -3.527 0.408 368 HD21 LEU 49 1HD2 LEU 49 -10.370 -3.801 1.857 369 HD22 LEU 49 2HD2 LEU 49 -10.049 -4.205 0.171 370 HD23 LEU 49 3HD2 LEU 49 -9.735 -2.573 0.762 371 H ASN 50 H ASN 50 -6.859 -8.276 2.881 372 HA ASN 50 HA ASN 50 -6.131 -10.059 0.711 373 HB2 ASN 50 1HB ASN 50 -5.183 -10.277 3.031 374 HB3 ASN 50 2HB ASN 50 -6.783 -10.771 3.576 375 HD21 ASN 50 1HD2 ASN 50 -4.548 -11.549 0.926 376 HD22 ASN 50 2HD2 ASN 50 -4.718 -13.263 1.062 377 H GLN 51 H GLN 51 -7.374 -12.253 0.743 378 HA GLN 51 HA GLN 51 -9.947 -11.794 -0.243 379 HB2 GLN 51 1HB GLN 51 -8.544 -14.293 0.675 380 HB3 GLN 51 2HB GLN 51 -10.188 -14.332 0.053 381 HG2 GLN 51 1HG GLN 51 -8.065 -13.007 -1.558 382 HG3 GLN 51 2HG GLN 51 -8.144 -14.768 -1.515 383 HE21 GLN 51 1HE2 GLN 51 -9.456 -15.733 -2.897 384 HE22 GLN 51 2HE2 GLN 51 -10.723 -14.971 -3.789 385 H ASP 52 H ASP 52 -8.889 -13.023 2.912 386 HA ASP 52 HA ASP 52 -11.600 -12.474 3.930 387 HB2 ASP 52 1HB ASP 52 -10.774 -14.298 5.701 388 HB3 ASP 52 2HB ASP 52 -11.599 -14.742 4.209 389 H GLU 53 H GLU 53 -8.659 -11.243 3.898 390 HA GLU 53 HA GLU 53 -8.852 -10.277 6.668 391 HB2 GLU 53 1HB GLU 53 -6.152 -10.516 5.438 392 HB3 GLU 53 2HB GLU 53 -6.629 -10.618 7.127 393 HG2 GLU 53 1HG GLU 53 -7.363 -12.845 6.889 394 HG3 GLU 53 2HG GLU 53 -7.299 -12.756 5.130 395 H GLU 54 H GLU 54 -7.788 -8.183 7.015 396 HA GLU 54 HA GLU 54 -7.188 -6.590 4.674 397 HB2 GLU 54 1HB GLU 54 -9.385 -6.019 4.472 398 HB3 GLU 54 2HB GLU 54 -9.743 -6.373 6.157 399 HG2 GLU 54 1HG GLU 54 -8.024 -4.030 5.595 400 HG3 GLU 54 2HG GLU 54 -9.734 -3.907 5.183 401 H TRP 55 H TRP 55 -5.492 -5.390 5.186 402 HA TRP 55 HA TRP 55 -5.365 -4.059 7.771 403 HB2 TRP 55 1HB TRP 55 -3.229 -4.916 8.392 404 HB3 TRP 55 2HB TRP 55 -4.234 -6.309 8.001 405 HD1 TRP 55 HD TRP 55 -1.330 -4.236 6.548 406 HE1 TRP 55 1HE TRP 55 -0.060 -5.702 4.856 407 HE3 TRP 55 3HE TRP 55 -4.423 -8.307 6.520 408 HZ2 TRP 55 2HZ TRP 55 -0.334 -8.247 3.666 409 HZ3 TRP 55 3HZ TRP 55 -3.848 -10.215 5.076 410 HH2 TRP 55 HH TRP 55 -1.846 -10.183 3.679 411 H HIS 56 H HIS 56 -4.100 -2.207 7.777 412 HA HIS 56 HA HIS 56 -2.857 -1.476 5.210 413 HB2 HIS 56 1HB HIS 56 -3.624 0.922 5.866 414 HB3 HIS 56 2HB HIS 56 -4.791 -0.180 5.141 415 HD1 HIS 56 1HD HIS 56 -6.724 1.155 6.268 416 HD2 HIS 56 2HD HIS 56 -4.078 -0.633 8.927 417 HE1 HIS 56 1HE HIS 56 -7.863 1.239 8.509 418 HE2 HIS 56 2HE HIS 56 -6.208 0.229 10.116 419 H GLN 57 H GLN 57 -1.019 -0.183 5.308 420 HA GLN 57 HA GLN 57 0.013 0.524 7.951 421 HB2 GLN 57 1HB GLN 57 2.228 -0.450 7.379 422 HB3 GLN 57 2HB GLN 57 0.963 -1.657 7.570 423 HG2 GLN 57 1HG GLN 57 0.718 -1.690 5.092 424 HG3 GLN 57 2HG GLN 57 2.123 -0.630 4.993 425 HE21 GLN 57 1HE2 GLN 57 3.830 -1.736 4.385 426 HE22 GLN 57 2HE2 GLN 57 4.273 -3.315 4.927 427 H MET 58 H MET 58 0.821 2.514 7.947 428 HA MET 58 HA MET 58 1.101 3.946 5.460 429 HB2 MET 58 1HB MET 58 0.116 5.203 7.195 430 HB3 MET 58 2HB MET 58 1.342 4.716 8.359 431 HG2 MET 58 1HG MET 58 2.218 6.257 5.982 432 HG3 MET 58 2HG MET 58 1.329 7.108 7.244 433 HE1 MET 58 1HE MET 58 4.323 7.330 6.001 434 HE2 MET 58 2HE MET 58 3.973 8.563 7.213 435 HE3 MET 58 3HE MET 58 5.422 7.567 7.360 436 H VAL 59 H VAL 59 2.924 4.317 4.371 437 HA VAL 59 HA VAL 59 5.493 3.841 5.735 438 HB VAL 59 HB VAL 59 6.394 2.959 3.610 439 HG11 VAL 59 1HG1 VAL 59 4.046 1.228 4.126 440 HG12 VAL 59 2HG1 VAL 59 5.764 0.826 4.074 441 HG13 VAL 59 3HG1 VAL 59 5.084 1.612 5.499 442 HG21 VAL 59 1HG2 VAL 59 5.171 3.707 1.839 443 HG22 VAL 59 2HG2 VAL 59 4.415 2.127 2.047 444 HG23 VAL 59 3HG2 VAL 59 3.636 3.570 2.697 445 H LEU 60 H LEU 60 7.327 4.970 4.800 446 HA LEU 60 HA LEU 60 6.531 7.589 3.763 447 HB2 LEU 60 1HB LEU 60 9.099 6.621 5.006 448 HB3 LEU 60 2HB LEU 60 8.849 8.252 4.386 449 HG LEU 60 HG LEU 60 7.198 7.060 6.606 450 HD11 LEU 60 1HD1 LEU 60 9.862 7.521 6.828 451 HD12 LEU 60 2HD1 LEU 60 8.708 7.648 8.155 452 HD13 LEU 60 3HD1 LEU 60 9.201 9.094 7.275 453 HD21 LEU 60 1HD2 LEU 60 6.358 9.025 5.227 454 HD22 LEU 60 2HD2 LEU 60 7.674 9.953 5.946 455 HD23 LEU 60 3HD2 LEU 60 6.426 9.248 6.975 456 H GLU 61 H GLU 61 8.451 4.774 2.975 457 HA GLU 61 HA GLU 61 9.579 6.023 0.610 458 HB2 GLU 61 1HB GLU 61 10.688 3.853 0.263 459 HB3 GLU 61 2HB GLU 61 10.976 4.487 1.877 460 HG2 GLU 61 1HG GLU 61 8.966 3.006 2.553 461 HG3 GLU 61 2HG GLU 61 9.285 2.177 1.031 462 HA PRO 62 HA PRO 62 6.499 4.742 -2.244 463 HB2 PRO 62 1HB PRO 62 8.002 4.385 -4.476 464 HB3 PRO 62 2HB PRO 62 7.626 5.981 -3.817 465 HG2 PRO 62 1HG PRO 62 10.114 4.345 -3.514 466 HG3 PRO 62 2HG PRO 62 9.949 6.083 -3.824 467 HD2 PRO 62 1HD PRO 62 10.487 5.088 -1.364 468 HD3 PRO 62 2HD PRO 62 9.538 6.568 -1.609 469 H ARG 63 H ARG 63 8.634 2.652 -0.916 470 HA ARG 63 HA ARG 63 7.611 0.381 -2.491 471 HB2 ARG 63 1HB ARG 63 9.687 -0.829 -1.869 472 HB3 ARG 63 2HB ARG 63 9.988 0.587 -2.868 473 HG2 ARG 63 1HG ARG 63 10.369 1.784 -0.595 474 HG3 ARG 63 2HG ARG 63 10.595 0.145 0.018 475 HD2 ARG 63 1HD ARG 63 12.247 -0.158 -1.905 476 HD3 ARG 63 2HD ARG 63 12.179 1.595 -2.083 477 HE ARG 63 HE ARG 63 12.779 0.665 0.585 478 HH11 ARG 63 2HH1 ARG 63 14.052 1.656 -2.500 479 HH12 ARG 63 1HH1 ARG 63 15.609 2.079 -1.868 480 HH21 ARG 63 2HH2 ARG 63 14.824 1.218 1.429 481 HH22 ARG 63 1HH2 ARG 63 16.047 1.828 0.367 482 H VAL 64 H VAL 64 7.321 -1.621 -1.296 483 HA VAL 64 HA VAL 64 7.200 -1.426 1.603 484 HB VAL 64 HB VAL 64 5.010 -0.554 0.823 485 HG11 VAL 64 1HG1 VAL 64 5.119 -2.284 -1.179 486 HG12 VAL 64 2HG1 VAL 64 4.194 -3.274 -0.048 487 HG13 VAL 64 3HG1 VAL 64 3.584 -1.694 -0.542 488 HG21 VAL 64 1HG2 VAL 64 5.000 -3.191 2.283 489 HG22 VAL 64 2HG2 VAL 64 5.117 -1.579 2.989 490 HG23 VAL 64 3HG2 VAL 64 3.621 -2.094 2.208 491 H LEU 65 H LEU 65 7.791 -3.295 2.495 492 HA LEU 65 HA LEU 65 7.742 -5.709 0.810 493 HB2 LEU 65 1HB LEU 65 9.956 -4.760 1.628 494 HB3 LEU 65 2HB LEU 65 9.462 -5.280 3.238 495 HG LEU 65 HG LEU 65 10.973 -6.898 2.291 496 HD11 LEU 65 1HD1 LEU 65 9.754 -8.829 2.732 497 HD12 LEU 65 2HD1 LEU 65 8.266 -8.160 2.063 498 HD13 LEU 65 3HD1 LEU 65 8.876 -7.578 3.612 499 HD21 LEU 65 1HD2 LEU 65 9.617 -8.134 0.224 500 HD22 LEU 65 2HD2 LEU 65 11.030 -7.088 0.072 501 HD23 LEU 65 3HD2 LEU 65 9.410 -6.413 -0.105 502 H LEU 66 H LEU 66 6.055 -6.949 1.304 503 HA LEU 66 HA LEU 66 5.105 -7.071 4.068 504 HB2 LEU 66 1HB LEU 66 3.865 -8.307 1.619 505 HB3 LEU 66 2HB LEU 66 3.116 -8.076 3.197 506 HG LEU 66 HG LEU 66 3.971 -5.783 1.442 507 HD11 LEU 66 1HD1 LEU 66 1.469 -5.637 0.976 508 HD12 LEU 66 2HD1 LEU 66 1.392 -7.318 1.502 509 HD13 LEU 66 3HD1 LEU 66 2.382 -6.874 0.112 510 HD21 LEU 66 1HD2 LEU 66 2.790 -4.424 2.895 511 HD22 LEU 66 2HD2 LEU 66 3.528 -5.594 3.990 512 HD23 LEU 66 3HD2 LEU 66 1.832 -5.761 3.533 513 H THR 67 H THR 67 5.140 -8.895 5.291 514 HA THR 67 HA THR 67 6.262 -11.332 4.080 515 HB THR 67 HB THR 67 7.554 -11.741 6.149 516 HG1 THR 67 1HG THR 67 6.078 -10.026 7.261 517 HG21 THR 67 1HG2 THR 67 8.565 -10.616 4.162 518 HG22 THR 67 2HG2 THR 67 9.343 -10.201 5.689 519 HG23 THR 67 3HG2 THR 67 8.230 -9.064 4.929 520 H LYS 68 H LYS 68 6.073 -13.200 5.784 521 HA LYS 68 HA LYS 68 4.716 -14.621 6.930 522 HB2 LYS 68 1HB LYS 68 3.945 -11.957 8.009 523 HB3 LYS 68 2HB LYS 68 2.882 -13.313 8.363 524 HG2 LYS 68 1HG LYS 68 5.019 -14.512 9.144 525 HG3 LYS 68 2HG LYS 68 5.734 -12.898 9.169 526 HD2 LYS 68 1HD LYS 68 4.959 -13.058 11.326 527 HD3 LYS 68 2HD LYS 68 3.573 -12.304 10.535 528 HE2 LYS 68 1HE LYS 68 3.700 -15.273 10.615 529 HE3 LYS 68 2HE LYS 68 3.312 -14.420 12.108 530 HZ1 LYS 68 1HZ LYS 68 1.736 -14.741 9.697 531 HZ2 LYS 68 2HZ LYS 68 1.695 -13.193 10.377 532 HZ3 LYS 68 3HZ LYS 68 1.235 -14.535 11.300 533 H LEU 69 H LEU 69 4.076 -14.202 4.287 534 HA LEU 69 HA LEU 69 1.146 -14.010 4.235 535 HB2 LEU 69 1HB LEU 69 3.025 -14.088 1.885 536 HB3 LEU 69 2HB LEU 69 1.316 -13.656 1.878 537 HG LEU 69 HG LEU 69 3.372 -12.025 3.347 538 HD11 LEU 69 1HD1 LEU 69 4.205 -11.924 1.171 539 HD12 LEU 69 2HD1 LEU 69 3.159 -10.510 1.292 540 HD13 LEU 69 3HD1 LEU 69 2.595 -11.955 0.451 541 HD21 LEU 69 1HD2 LEU 69 1.403 -11.201 4.087 542 HD22 LEU 69 2HD2 LEU 69 0.499 -11.812 2.701 543 HD23 LEU 69 3HD2 LEU 69 1.447 -10.331 2.553 544 H GLN 70 H GLN 70 0.368 -15.464 2.182 545 HA GLN 70 HA GLN 70 1.348 -18.187 2.739 546 HB2 GLN 70 1HB GLN 70 -1.447 -17.146 2.390 547 HB3 GLN 70 2HB GLN 70 -1.071 -18.832 2.061 548 HG2 GLN 70 1HG GLN 70 -0.596 -17.419 4.676 549 HG3 GLN 70 2HG GLN 70 -1.950 -18.490 4.319 550 HE21 GLN 70 1HE2 GLN 70 -1.669 -20.658 4.409 551 HE22 GLN 70 2HE2 GLN 70 -0.195 -21.423 4.883 552 HA PRO 71 HA PRO 71 2.186 -18.527 -1.569 553 HB2 PRO 71 1HB PRO 71 2.162 -21.232 -1.793 554 HB3 PRO 71 2HB PRO 71 3.480 -20.344 -1.019 555 HG2 PRO 71 1HG PRO 71 1.168 -21.777 0.232 556 HG3 PRO 71 2HG PRO 71 2.873 -21.767 0.718 557 HD2 PRO 71 1HD PRO 71 0.998 -20.253 1.953 558 HD3 PRO 71 2HD PRO 71 2.687 -19.733 1.787 559 H ASP 72 H ASP 72 1.087 -18.687 -3.469 560 HA ASP 72 HA ASP 72 -0.651 -18.917 -4.919 561 HB2 ASP 72 1HB ASP 72 -0.431 -21.304 -4.517 562 HB3 ASP 72 2HB ASP 72 -1.402 -21.176 -3.053 563 H THR 73 H THR 73 -0.883 -16.962 -2.948 564 HA THR 73 HA THR 73 -3.801 -16.914 -2.547 565 HB THR 73 HB THR 73 -1.723 -15.825 -0.638 566 HG1 THR 73 1HG THR 73 -3.640 -17.884 -0.204 567 HG21 THR 73 1HG2 THR 73 -3.773 -14.437 -0.797 568 HG22 THR 73 2HG2 THR 73 -3.581 -15.201 0.781 569 HG23 THR 73 3HG2 THR 73 -4.732 -15.858 -0.382 570 H THR 74 H THR 74 -4.839 -15.038 -3.046 571 HA THR 74 HA THR 74 -3.304 -13.069 -4.536 572 HB THR 74 HB THR 74 -6.295 -13.250 -4.120 573 HG1 THR 74 1HG THR 74 -6.167 -14.053 -6.344 574 HG21 THR 74 1HG2 THR 74 -4.815 -11.753 -6.273 575 HG22 THR 74 2HG2 THR 74 -5.293 -11.000 -4.752 576 HG23 THR 74 3HG2 THR 74 -6.521 -11.644 -5.841 577 H TYR 75 H TYR 75 -2.688 -11.167 -3.749 578 HA TYR 75 HA TYR 75 -4.051 -10.132 -1.351 579 HB2 TYR 75 1HB TYR 75 -1.107 -10.194 -1.999 580 HB3 TYR 75 2HB TYR 75 -1.779 -9.108 -0.787 581 HD1 TYR 75 2HD TYR 75 -2.838 -10.044 1.256 582 HD2 TYR 75 1HD TYR 75 -0.805 -12.516 -1.548 583 HE1 TYR 75 2HE TYR 75 -2.704 -11.833 2.939 584 HE2 TYR 75 1HE TYR 75 -0.666 -14.312 0.127 585 HH TYR 75 HH TYR 75 -1.485 -15.028 2.131 586 H ILE 76 H ILE 76 -4.928 -8.192 -1.600 587 HA ILE 76 HA ILE 76 -4.311 -6.645 -3.989 588 HB ILE 76 HB ILE 76 -6.371 -5.966 -1.898 589 HG12 ILE 76 1HG1 ILE 76 -6.691 -8.292 -2.743 590 HG13 ILE 76 2HG1 ILE 76 -8.008 -7.206 -3.174 591 HG21 ILE 76 1HG2 ILE 76 -5.903 -5.171 -4.756 592 HG22 ILE 76 2HG2 ILE 76 -7.463 -4.949 -3.964 593 HG23 ILE 76 3HG2 ILE 76 -6.030 -4.139 -3.331 594 HD11 ILE 76 1HD1 ILE 76 -5.761 -8.055 -4.985 595 HD12 ILE 76 2HD1 ILE 76 -7.417 -8.660 -5.024 596 HD13 ILE 76 3HD1 ILE 76 -7.085 -6.973 -5.417 597 H VAL 77 H VAL 77 -3.217 -4.774 -4.016 598 HA VAL 77 HA VAL 77 -2.583 -3.487 -1.445 599 HB VAL 77 HB VAL 77 -0.638 -3.834 -3.730 600 HG11 VAL 77 1HG1 VAL 77 -0.524 -1.764 -2.212 601 HG12 VAL 77 2HG1 VAL 77 0.006 -2.888 -0.958 602 HG13 VAL 77 3HG1 VAL 77 0.947 -2.710 -2.440 603 HG21 VAL 77 1HG2 VAL 77 -1.139 -5.408 -1.262 604 HG22 VAL 77 2HG2 VAL 77 -0.601 -5.941 -2.855 605 HG23 VAL 77 3HG2 VAL 77 0.536 -5.159 -1.756 606 H ARG 78 H ARG 78 -2.470 -1.262 -1.446 607 HA ARG 78 HA ARG 78 -2.673 0.212 -3.930 608 HB2 ARG 78 1HB ARG 78 -4.736 1.430 -3.095 609 HB3 ARG 78 2HB ARG 78 -4.987 -0.213 -3.671 610 HG2 ARG 78 1HG ARG 78 -5.205 -1.051 -1.470 611 HG3 ARG 78 2HG ARG 78 -4.620 0.458 -0.766 612 HD2 ARG 78 1HD ARG 78 -6.978 0.431 -0.485 613 HD3 ARG 78 2HD ARG 78 -6.626 1.586 -1.769 614 HE ARG 78 HE ARG 78 -7.113 -0.631 -3.172 615 HH11 ARG 78 2HH1 ARG 78 -8.837 0.831 -0.524 616 HH12 ARG 78 1HH1 ARG 78 -10.386 0.250 -1.040 617 HH21 ARG 78 2HH2 ARG 78 -9.146 -1.402 -3.862 618 HH22 ARG 78 1HH2 ARG 78 -10.560 -1.021 -2.939 619 H VAL 79 H VAL 79 -1.537 2.029 -3.756 620 HA VAL 79 HA VAL 79 -1.060 3.125 -1.060 621 HB VAL 79 HB VAL 79 0.924 2.065 -2.302 622 HG11 VAL 79 1HG1 VAL 79 0.565 2.955 -4.497 623 HG12 VAL 79 2HG1 VAL 79 0.595 4.610 -3.884 624 HG13 VAL 79 3HG1 VAL 79 2.065 3.635 -3.866 625 HG21 VAL 79 1HG2 VAL 79 1.720 3.193 -0.523 626 HG22 VAL 79 2HG2 VAL 79 2.262 4.348 -1.739 627 HG23 VAL 79 3HG2 VAL 79 0.755 4.628 -0.868 628 H ARG 80 H ARG 80 -0.989 5.374 -0.821 629 HA ARG 80 HA ARG 80 -1.646 7.033 -3.125 630 HB2 ARG 80 1HB ARG 80 -3.575 8.050 -2.049 631 HB3 ARG 80 2HB ARG 80 -3.822 6.316 -2.215 632 HG2 ARG 80 1HG ARG 80 -4.533 6.588 -0.078 633 HG3 ARG 80 2HG ARG 80 -2.819 6.305 0.232 634 HD2 ARG 80 1HD ARG 80 -3.131 8.186 1.487 635 HD3 ARG 80 2HD ARG 80 -2.696 8.926 -0.054 636 HE ARG 80 HE ARG 80 -4.840 9.730 -0.244 637 HH11 ARG 80 2HH1 ARG 80 -4.696 7.377 2.318 638 HH12 ARG 80 1HH1 ARG 80 -6.288 7.728 2.906 639 HH21 ARG 80 2HH2 ARG 80 -6.937 10.201 0.521 640 HH22 ARG 80 1HH2 ARG 80 -7.562 9.333 1.883 641 H THR 81 H THR 81 -0.772 9.026 -3.007 642 HA THR 81 HA THR 81 1.092 9.594 -0.930 643 HB THR 81 HB THR 81 0.099 11.295 -3.221 644 HG1 THR 81 1HG THR 81 1.352 9.630 -3.977 645 HG21 THR 81 1HG2 THR 81 1.007 13.038 -2.155 646 HG22 THR 81 2HG2 THR 81 2.570 12.262 -2.409 647 HG23 THR 81 3HG2 THR 81 1.692 12.003 -0.902 648 H LEU 82 H LEU 82 0.737 10.552 0.956 649 HA LEU 82 HA LEU 82 -1.843 11.687 1.558 650 HB2 LEU 82 1HB LEU 82 0.591 10.950 3.078 651 HB3 LEU 82 2HB LEU 82 -0.441 12.198 3.772 652 HG LEU 82 HG LEU 82 -1.404 9.444 3.009 653 HD11 LEU 82 1HD1 LEU 82 -1.211 10.144 5.846 654 HD12 LEU 82 2HD1 LEU 82 0.342 9.958 5.031 655 HD13 LEU 82 3HD1 LEU 82 -0.826 8.636 5.016 656 HD21 LEU 82 1HD2 LEU 82 -2.728 11.297 4.940 657 HD22 LEU 82 2HD2 LEU 82 -3.425 10.004 3.963 658 HD23 LEU 82 3HD2 LEU 82 -2.962 11.529 3.207 659 H THR 83 H THR 83 -2.343 13.800 1.924 660 HA THR 83 HA THR 83 -0.201 15.793 1.659 661 HB THR 83 HB THR 83 -1.326 17.077 0.058 662 HG1 THR 83 1HG THR 83 -3.550 15.830 1.084 663 HG21 THR 83 1HG2 THR 83 -2.323 14.733 -1.284 664 HG22 THR 83 2HG2 THR 83 -0.785 14.383 -0.496 665 HG23 THR 83 3HG2 THR 83 -0.903 15.710 -1.651 666 HA PRO 84 HA PRO 84 -2.110 17.786 5.078 667 HB2 PRO 84 1HB PRO 84 -1.436 20.371 4.594 668 HB3 PRO 84 2HB PRO 84 -0.270 19.160 5.140 669 HG2 PRO 84 1HG PRO 84 -0.780 20.187 2.375 670 HG3 PRO 84 2HG PRO 84 0.766 19.867 3.182 671 HD2 PRO 84 1HD PRO 84 -0.332 18.146 1.402 672 HD3 PRO 84 2HD PRO 84 0.653 17.601 2.775 673 H LEU 85 H LEU 85 -2.718 19.205 1.888 674 HA LEU 85 HA LEU 85 -5.439 19.876 2.794 675 HB2 LEU 85 1HB LEU 85 -3.629 21.435 0.962 676 HB3 LEU 85 2HB LEU 85 -5.355 21.750 1.125 677 HG LEU 85 HG LEU 85 -3.397 21.926 3.411 678 HD11 LEU 85 1HD1 LEU 85 -4.576 24.299 2.032 679 HD12 LEU 85 2HD1 LEU 85 -3.105 23.553 1.408 680 HD13 LEU 85 3HD1 LEU 85 -3.141 24.191 3.052 681 HD21 LEU 85 1HD2 LEU 85 -5.227 22.091 4.653 682 HD22 LEU 85 2HD2 LEU 85 -6.252 21.973 3.223 683 HD23 LEU 85 3HD2 LEU 85 -5.669 23.548 3.763 684 H GLY 86 H GLY 86 -6.366 18.011 1.971 685 HA2 GLY 86 1HA GLY 86 -7.612 16.997 0.287 686 HA3 GLY 86 2HA GLY 86 -6.833 18.048 -0.886 687 HA PRO 87 HA PRO 87 -3.989 14.183 -0.052 688 HB2 PRO 87 1HB PRO 87 -5.335 11.996 0.829 689 HB3 PRO 87 2HB PRO 87 -4.578 13.162 1.921 690 HG2 PRO 87 1HG PRO 87 -7.445 12.925 1.095 691 HG3 PRO 87 2HG PRO 87 -6.767 13.236 2.703 692 HD2 PRO 87 1HD PRO 87 -7.774 15.206 1.142 693 HD3 PRO 87 2HD PRO 87 -6.426 15.473 2.265 694 H GLY 88 H GLY 88 -3.559 12.662 -1.634 695 HA2 GLY 88 1HA GLY 88 -5.224 12.675 -3.927 696 HA3 GLY 88 2HA GLY 88 -3.802 11.670 -3.693 697 HA PRO 89 HA PRO 89 -7.879 9.220 -3.484 698 HB2 PRO 89 1HB PRO 89 -7.752 8.036 -5.923 699 HB3 PRO 89 2HB PRO 89 -8.571 9.577 -5.645 700 HG2 PRO 89 1HG PRO 89 -5.836 9.057 -6.746 701 HG3 PRO 89 2HG PRO 89 -7.063 10.212 -7.298 702 HD2 PRO 89 1HD PRO 89 -4.951 10.948 -5.772 703 HD3 PRO 89 2HD PRO 89 -6.532 11.749 -5.665 704 H PHE 90 H PHE 90 -8.019 6.767 -3.926 705 HA PHE 90 HA PHE 90 -5.487 5.585 -3.045 706 HB2 PHE 90 1HB PHE 90 -8.361 4.902 -2.667 707 HB3 PHE 90 2HB PHE 90 -7.206 3.574 -2.690 708 HD1 PHE 90 2HD PHE 90 -5.244 3.676 -1.076 709 HD2 PHE 90 1HD PHE 90 -8.670 6.182 -0.749 710 HE1 PHE 90 2HE PHE 90 -4.696 4.113 1.282 711 HE2 PHE 90 1HE PHE 90 -8.126 6.623 1.610 712 HZ PHE 90 HZ PHE 90 -6.137 5.587 2.629 713 H SER 91 H SER 91 -4.282 4.555 -4.481 714 HA SER 91 HA SER 91 -4.688 4.177 -7.112 715 HB2 SER 91 1HB SER 91 -2.849 2.790 -7.119 716 HB3 SER 91 2HB SER 91 -2.680 3.495 -5.512 717 HG SER 91 HG SER 91 -3.762 0.968 -6.200 718 HA PRO 92 HA PRO 92 -7.811 1.185 -7.849 719 HB2 PRO 92 1HB PRO 92 -6.871 -0.039 -10.082 720 HB3 PRO 92 2HB PRO 92 -7.523 1.604 -10.089 721 HG2 PRO 92 1HG PRO 92 -4.671 0.699 -10.026 722 HG3 PRO 92 2HG PRO 92 -5.410 2.003 -10.973 723 HD2 PRO 92 1HD PRO 92 -4.012 2.465 -8.700 724 HD3 PRO 92 2HD PRO 92 -5.383 3.476 -9.200 725 H ASP 93 H ASP 93 -8.312 -0.787 -7.097 726 HA ASP 93 HA ASP 93 -6.701 -2.376 -5.609 727 HB2 ASP 93 1HB ASP 93 -8.285 -4.244 -6.068 728 HB3 ASP 93 2HB ASP 93 -9.091 -2.729 -5.671 729 H HIS 94 H HIS 94 -4.771 -3.176 -6.118 730 HA HIS 94 HA HIS 94 -4.273 -4.175 -8.817 731 HB2 HIS 94 1HB HIS 94 -2.517 -3.405 -6.509 732 HB3 HIS 94 2HB HIS 94 -1.884 -4.426 -7.797 733 HD1 HIS 94 1HD HIS 94 -3.189 -0.957 -7.164 734 HD2 HIS 94 2HD HIS 94 -1.301 -3.119 -10.167 735 HE1 HIS 94 1HE HIS 94 -2.498 0.743 -8.883 736 HE2 HIS 94 2HE HIS 94 -1.433 -0.598 -10.730 737 H GLU 95 H GLU 95 -5.014 -6.201 -9.066 738 HA GLU 95 HA GLU 95 -5.010 -8.136 -6.964 739 HB2 GLU 95 1HB GLU 95 -6.507 -7.912 -9.139 740 HB3 GLU 95 2HB GLU 95 -5.261 -8.944 -9.825 741 HG2 GLU 95 1HG GLU 95 -5.696 -10.659 -8.231 742 HG3 GLU 95 2HG GLU 95 -6.774 -9.608 -7.314 743 H PHE 96 H PHE 96 -3.205 -9.037 -6.235 744 HA PHE 96 HA PHE 96 -1.122 -9.776 -8.184 745 HB2 PHE 96 1HB PHE 96 -0.870 -8.875 -5.315 746 HB3 PHE 96 2HB PHE 96 0.448 -9.645 -6.191 747 HD1 PHE 96 1HD PHE 96 0.863 -8.536 -8.604 748 HD2 PHE 96 2HD PHE 96 -0.857 -6.591 -5.231 749 HE1 PHE 96 1HE PHE 96 1.523 -6.354 -9.530 750 HE2 PHE 96 2HE PHE 96 -0.202 -4.406 -6.153 751 HZ PHE 96 HZ PHE 96 0.989 -4.285 -8.305 752 H ARG 97 H ARG 97 0.073 -11.724 -7.748 753 HA ARG 97 HA ARG 97 -1.334 -13.631 -6.002 754 HB2 ARG 97 1HB ARG 97 -1.672 -13.776 -8.625 755 HB3 ARG 97 2HB ARG 97 -0.115 -14.590 -8.552 756 HG2 ARG 97 1HG ARG 97 -0.955 -16.393 -7.406 757 HG3 ARG 97 2HG ARG 97 -2.299 -15.471 -6.728 758 HD2 ARG 97 1HD ARG 97 -2.048 -16.128 -9.656 759 HD3 ARG 97 2HD ARG 97 -2.912 -17.148 -8.505 760 HE ARG 97 HE ARG 97 -4.060 -14.746 -8.126 761 HH11 ARG 97 2HH1 ARG 97 -3.385 -16.601 -10.993 762 HH12 ARG 97 1HH1 ARG 97 -4.742 -15.978 -11.873 763 HH21 ARG 97 2HH2 ARG 97 -5.849 -13.918 -9.273 764 HH22 ARG 97 1HH2 ARG 97 -6.142 -14.451 -10.894 765 H THR 98 H THR 98 -0.060 -14.790 -4.693 766 HA THR 98 HA THR 98 2.781 -14.277 -4.709 767 HB THR 98 HB THR 98 2.829 -15.635 -2.646 768 HG1 THR 98 1HG THR 98 1.134 -16.799 -2.045 769 HG21 THR 98 1HG2 THR 98 2.307 -13.744 -1.593 770 HG22 THR 98 2HG2 THR 98 0.590 -14.068 -1.831 771 HG23 THR 98 3HG2 THR 98 1.495 -13.167 -3.047 772 H SER 99 H SER 99 4.245 -16.235 -4.206 773 HA SER 99 HA SER 99 4.206 -17.934 -6.476 774 HB2 SER 99 1HB SER 99 5.908 -17.820 -3.994 775 HB3 SER 99 2HB SER 99 6.114 -19.103 -5.186 776 HG SER 99 HG SER 99 6.385 -16.309 -5.585 777 HA PRO 100 HA PRO 100 1.820 -21.355 -5.101 778 HB2 PRO 100 1HB PRO 100 3.025 -23.374 -6.459 779 HB3 PRO 100 2HB PRO 100 1.997 -22.169 -7.243 780 HG2 PRO 100 1HG PRO 100 4.983 -22.298 -7.088 781 HG3 PRO 100 2HG PRO 100 3.951 -21.895 -8.472 782 HD2 PRO 100 1HD PRO 100 5.199 -20.006 -6.988 783 HD3 PRO 100 2HD PRO 100 3.625 -19.728 -7.759 784 HA PRO 101 HA PRO 101 3.913 -23.189 -1.675 785 HB2 PRO 101 1HB PRO 101 2.207 -25.243 -1.185 786 HB3 PRO 101 2HB PRO 101 1.825 -23.563 -0.793 787 HG2 PRO 101 1HG PRO 101 0.976 -25.197 -3.153 788 HG3 PRO 101 2HG PRO 101 0.019 -24.080 -2.163 789 HD2 PRO 101 1HD PRO 101 1.027 -23.388 -4.579 790 HD3 PRO 101 2HD PRO 101 0.826 -22.219 -3.257 791 H SER 102 H SER 102 2.810 -25.346 -4.273 792 HA SER 102 HA SER 102 5.379 -26.619 -4.408 793 HB2 SER 102 1HB SER 102 3.030 -28.043 -3.190 794 HB3 SER 102 2HB SER 102 4.253 -28.947 -4.083 795 HG SER 102 HG SER 102 5.120 -28.943 -2.132 796 H GLY 103 H GLY 103 5.509 -28.181 -6.180 797 HA2 GLY 103 1HA GLY 103 3.255 -28.189 -8.039 798 HA3 GLY 103 2HA GLY 103 4.738 -27.422 -8.590 799 HA PRO 104 HA PRO 104 5.298 -32.251 -8.138 800 HB2 PRO 104 1HB PRO 104 3.052 -33.592 -8.865 801 HB3 PRO 104 2HB PRO 104 3.412 -33.158 -7.190 802 HG2 PRO 104 1HG PRO 104 1.610 -31.796 -9.153 803 HG3 PRO 104 2HG PRO 104 1.337 -32.139 -7.435 804 HD2 PRO 104 1HD PRO 104 2.097 -29.699 -8.331 805 HD3 PRO 104 2HD PRO 104 2.588 -30.330 -6.746 806 H SER 105 H SER 105 4.097 -30.178 -10.452 807 HA SER 105 HA SER 105 5.119 -31.888 -12.605 808 HB2 SER 105 1HB SER 105 2.422 -30.608 -12.435 809 HB3 SER 105 2HB SER 105 3.207 -30.720 -14.010 810 HG SER 105 HG SER 105 3.529 -33.065 -13.124 811 H SER 106 H SER 106 5.613 -30.635 -14.595 812 HA SER 106 HA SER 106 6.852 -28.101 -13.846 813 HB2 SER 106 1HB SER 106 7.166 -29.809 -16.326 814 HB3 SER 106 2HB SER 106 8.063 -28.325 -16.002 815 HG SER 106 HG SER 106 8.711 -30.742 -15.260 816 H GLY 107 H GLY 107 4.888 -26.872 -13.785 817 HA2 GLY 107 1HA GLY 107 3.825 -26.261 -16.475 818 HA3 GLY 107 2HA GLY 107 2.848 -26.205 -15.015 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -23.287 19.278 -19.081 2 HA2 GLY 1 1HA GLY 1 -25.878 18.193 -18.180 3 HA3 GLY 1 2HA GLY 1 -25.126 17.604 -19.655 4 H SER 2 H SER 2 -25.677 15.714 -17.918 5 HA SER 2 HA SER 2 -23.319 15.254 -16.246 6 HB2 SER 2 1HB SER 2 -24.633 13.329 -15.352 7 HB3 SER 2 2HB SER 2 -25.446 14.881 -15.145 8 HG SER 2 HG SER 2 -26.965 14.275 -16.490 9 H SER 3 H SER 3 -21.883 14.875 -18.020 10 HA SER 3 HA SER 3 -22.369 12.435 -19.566 11 HB2 SER 3 1HB SER 3 -21.584 14.696 -20.584 12 HB3 SER 3 2HB SER 3 -20.001 14.248 -19.949 13 HG SER 3 HG SER 3 -20.031 13.393 -21.949 14 H GLY 4 H GLY 4 -20.904 10.716 -19.608 15 HA2 GLY 4 1HA GLY 4 -19.483 10.317 -17.123 16 HA3 GLY 4 2HA GLY 4 -19.683 9.141 -18.415 17 H SER 5 H SER 5 -18.311 12.405 -18.571 18 HA SER 5 HA SER 5 -15.944 11.305 -19.858 19 HB2 SER 5 1HB SER 5 -17.227 13.372 -20.678 20 HB3 SER 5 2HB SER 5 -16.478 14.226 -19.329 21 HG SER 5 HG SER 5 -15.171 14.477 -21.115 22 H SER 6 H SER 6 -14.981 10.287 -18.049 23 HA SER 6 HA SER 6 -13.720 12.176 -16.170 24 HB2 SER 6 1HB SER 6 -15.492 10.696 -15.132 25 HB3 SER 6 2HB SER 6 -14.453 9.320 -15.503 26 HG SER 6 HG SER 6 -14.247 10.310 -13.340 27 H GLY 7 H GLY 7 -11.689 11.262 -15.179 28 HA2 GLY 7 1HA GLY 7 -10.086 10.090 -17.330 29 HA3 GLY 7 2HA GLY 7 -9.465 10.922 -15.912 30 H ALA 8 H ALA 8 -10.599 7.900 -17.207 31 HA ALA 8 HA ALA 8 -10.740 6.339 -14.915 32 HB1 ALA 8 1HB ALA 8 -9.552 5.163 -17.377 33 HB2 ALA 8 2HB ALA 8 -10.798 4.522 -16.306 34 HB3 ALA 8 3HB ALA 8 -11.193 5.803 -17.452 35 H GLU 9 H GLU 9 -7.937 6.555 -17.120 36 HA GLU 9 HA GLU 9 -6.220 5.601 -14.953 37 HB2 GLU 9 1HB GLU 9 -4.554 5.191 -16.650 38 HB3 GLU 9 2HB GLU 9 -6.086 4.507 -17.176 39 HG2 GLU 9 1HG GLU 9 -6.430 6.623 -18.507 40 HG3 GLU 9 2HG GLU 9 -4.749 7.013 -18.148 41 H SER 10 H SER 10 -7.224 8.206 -14.671 42 HA SER 10 HA SER 10 -4.993 9.964 -15.381 43 HB2 SER 10 1HB SER 10 -7.494 10.561 -15.714 44 HB3 SER 10 2HB SER 10 -7.501 10.851 -13.975 45 HG SER 10 HG SER 10 -5.425 12.013 -15.394 46 H LEU 11 H LEU 11 -4.422 8.018 -13.465 47 HA LEU 11 HA LEU 11 -4.729 8.935 -10.806 48 HB2 LEU 11 1HB LEU 11 -4.020 6.607 -11.789 49 HB3 LEU 11 2HB LEU 11 -2.395 7.271 -11.629 50 HG LEU 11 HG LEU 11 -2.715 7.536 -9.234 51 HD11 LEU 11 1HD1 LEU 11 -4.840 7.905 -8.613 52 HD12 LEU 11 2HD1 LEU 11 -4.920 6.148 -8.498 53 HD13 LEU 11 3HD1 LEU 11 -5.505 6.964 -9.948 54 HD21 LEU 11 1HD2 LEU 11 -3.658 4.760 -9.696 55 HD22 LEU 11 2HD2 LEU 11 -2.317 5.353 -8.717 56 HD23 LEU 11 3HD2 LEU 11 -2.155 5.260 -10.471 57 H SER 12 H SER 12 -2.855 9.516 -9.385 58 HA SER 12 HA SER 12 -1.486 11.781 -10.537 59 HB2 SER 12 1HB SER 12 -1.796 10.674 -7.765 60 HB3 SER 12 2HB SER 12 -0.549 11.877 -8.096 61 HG SER 12 HG SER 12 -2.519 12.974 -9.176 62 H GLY 13 H GLY 13 -0.622 9.428 -11.727 63 HA2 GLY 13 1HA GLY 13 1.482 8.752 -12.481 64 HA3 GLY 13 2HA GLY 13 2.211 9.562 -11.102 65 H LEU 14 H LEU 14 0.983 8.396 -8.974 66 HA LEU 14 HA LEU 14 2.394 6.256 -8.279 67 HB2 LEU 14 1HB LEU 14 -0.521 6.753 -7.739 68 HB3 LEU 14 2HB LEU 14 0.369 5.436 -6.978 69 HG LEU 14 HG LEU 14 0.592 8.383 -6.531 70 HD11 LEU 14 1HD1 LEU 14 -0.155 7.887 -4.491 71 HD12 LEU 14 2HD1 LEU 14 0.958 6.531 -4.318 72 HD13 LEU 14 3HD1 LEU 14 -0.578 6.310 -5.156 73 HD21 LEU 14 1HD2 LEU 14 2.699 7.968 -5.297 74 HD22 LEU 14 2HD2 LEU 14 2.859 7.755 -7.041 75 HD23 LEU 14 3HD2 LEU 14 2.747 6.345 -5.986 76 H SER 15 H SER 15 2.623 4.150 -8.758 77 HA SER 15 HA SER 15 0.556 2.685 -10.150 78 HB2 SER 15 1HB SER 15 1.986 2.074 -12.063 79 HB3 SER 15 2HB SER 15 1.681 3.811 -12.017 80 HG SER 15 HG SER 15 3.738 4.102 -11.137 81 H LEU 16 H LEU 16 0.479 0.896 -8.967 82 HA LEU 16 HA LEU 16 2.698 -0.098 -7.484 83 HB2 LEU 16 1HB LEU 16 -0.054 -1.142 -8.066 84 HB3 LEU 16 2HB LEU 16 1.124 -2.097 -7.167 85 HG LEU 16 HG LEU 16 0.190 0.641 -6.317 86 HD11 LEU 16 1HD1 LEU 16 -0.848 -2.091 -5.615 87 HD12 LEU 16 2HD1 LEU 16 -1.745 -0.704 -6.231 88 HD13 LEU 16 3HD1 LEU 16 -1.100 -0.678 -4.589 89 HD21 LEU 16 1HD2 LEU 16 1.430 0.361 -4.427 90 HD22 LEU 16 2HD2 LEU 16 2.429 -0.554 -5.556 91 HD23 LEU 16 3HD2 LEU 16 1.317 -1.398 -4.476 92 H LYS 17 H LYS 17 4.264 -1.423 -8.112 93 HA LYS 17 HA LYS 17 3.815 -3.119 -10.478 94 HB2 LYS 17 1HB LYS 17 5.229 -1.437 -11.308 95 HB3 LYS 17 2HB LYS 17 6.159 -1.356 -9.818 96 HG2 LYS 17 1HG LYS 17 7.440 -3.170 -10.351 97 HG3 LYS 17 2HG LYS 17 6.190 -3.893 -11.367 98 HD2 LYS 17 1HD LYS 17 6.684 -2.499 -13.172 99 HD3 LYS 17 2HD LYS 17 7.527 -1.327 -12.156 100 HE2 LYS 17 1HE LYS 17 8.578 -4.114 -12.381 101 HE3 LYS 17 2HE LYS 17 8.871 -2.968 -13.688 102 HZ1 LYS 17 1HZ LYS 17 10.538 -2.152 -12.509 103 HZ2 LYS 17 2HZ LYS 17 10.194 -3.184 -11.215 104 HZ3 LYS 17 3HZ LYS 17 9.456 -1.664 -11.303 105 H LEU 18 H LEU 18 4.304 -5.210 -10.225 106 HA LEU 18 HA LEU 18 5.096 -6.188 -7.665 107 HB2 LEU 18 1HB LEU 18 3.534 -7.426 -9.030 108 HB3 LEU 18 2HB LEU 18 4.734 -7.585 -10.311 109 HG LEU 18 HG LEU 18 6.093 -9.010 -8.835 110 HD11 LEU 18 1HD1 LEU 18 5.654 -8.440 -6.653 111 HD12 LEU 18 2HD1 LEU 18 4.717 -9.926 -6.813 112 HD13 LEU 18 3HD1 LEU 18 3.910 -8.360 -6.909 113 HD21 LEU 18 1HD2 LEU 18 3.326 -10.152 -8.858 114 HD22 LEU 18 2HD2 LEU 18 4.866 -10.942 -9.200 115 HD23 LEU 18 3HD2 LEU 18 4.172 -9.819 -10.370 116 H VAL 19 H VAL 19 7.149 -5.635 -7.109 117 HA VAL 19 HA VAL 19 9.355 -5.814 -8.925 118 HB VAL 19 HB VAL 19 9.005 -5.094 -6.070 119 HG11 VAL 19 1HG1 VAL 19 10.732 -6.739 -5.823 120 HG12 VAL 19 2HG1 VAL 19 11.622 -6.080 -7.197 121 HG13 VAL 19 3HG1 VAL 19 11.468 -5.141 -5.712 122 HG21 VAL 19 1HG2 VAL 19 9.459 -3.086 -6.902 123 HG22 VAL 19 2HG2 VAL 19 11.026 -3.648 -7.483 124 HG23 VAL 19 3HG2 VAL 19 9.598 -3.805 -8.506 125 H LYS 20 H LYS 20 8.380 -7.679 -6.051 126 HA LYS 20 HA LYS 20 9.825 -9.985 -7.160 127 HB2 LYS 20 1HB LYS 20 11.061 -8.754 -5.265 128 HB3 LYS 20 2HB LYS 20 9.811 -9.397 -4.208 129 HG2 LYS 20 1HG LYS 20 10.425 -11.672 -4.882 130 HG3 LYS 20 2HG LYS 20 11.698 -11.013 -5.911 131 HD2 LYS 20 1HD LYS 20 12.636 -9.917 -3.838 132 HD3 LYS 20 2HD LYS 20 11.493 -10.889 -2.909 133 HE2 LYS 20 1HE LYS 20 12.597 -12.843 -3.337 134 HE3 LYS 20 2HE LYS 20 13.217 -12.280 -4.889 135 HZ1 LYS 20 1HZ LYS 20 14.182 -11.105 -2.360 136 HZ2 LYS 20 2HZ LYS 20 14.935 -11.127 -3.874 137 HZ3 LYS 20 3HZ LYS 20 14.846 -12.543 -2.953 138 H LYS 21 H LYS 21 8.723 -11.853 -7.106 139 HA LYS 21 HA LYS 21 6.145 -11.860 -5.685 140 HB2 LYS 21 1HB LYS 21 6.189 -12.076 -8.222 141 HB3 LYS 21 2HB LYS 21 6.920 -13.657 -7.980 142 HG2 LYS 21 1HG LYS 21 4.827 -14.000 -6.412 143 HG3 LYS 21 2HG LYS 21 4.146 -12.744 -7.449 144 HD2 LYS 21 1HD LYS 21 5.540 -15.026 -8.748 145 HD3 LYS 21 2HD LYS 21 3.946 -15.318 -8.050 146 HE2 LYS 21 1HE LYS 21 3.421 -14.707 -10.214 147 HE3 LYS 21 2HE LYS 21 3.273 -13.175 -9.355 148 HZ1 LYS 21 1HZ LYS 21 4.871 -12.298 -10.592 149 HZ2 LYS 21 2HZ LYS 21 4.833 -13.684 -11.560 150 HZ3 LYS 21 3HZ LYS 21 5.930 -13.579 -10.277 151 H GLU 22 H GLU 22 6.847 -12.639 -3.705 152 HA GLU 22 HA GLU 22 8.054 -15.324 -3.719 153 HB2 GLU 22 1HB GLU 22 8.190 -13.057 -1.754 154 HB3 GLU 22 2HB GLU 22 8.521 -14.707 -1.243 155 HG2 GLU 22 1HG GLU 22 10.134 -14.634 -3.343 156 HG3 GLU 22 2HG GLU 22 10.093 -12.907 -2.991 157 HA PRO 23 HA PRO 23 4.469 -17.119 -1.939 158 HB2 PRO 23 1HB PRO 23 5.544 -18.952 -0.249 159 HB3 PRO 23 2HB PRO 23 5.574 -19.132 -2.007 160 HG2 PRO 23 1HG PRO 23 7.725 -18.162 -0.165 161 HG3 PRO 23 2HG PRO 23 7.849 -19.267 -1.546 162 HD2 PRO 23 1HD PRO 23 8.534 -16.652 -1.707 163 HD3 PRO 23 2HD PRO 23 7.857 -17.548 -3.082 164 H ARG 24 H ARG 24 6.976 -16.414 0.496 165 HA ARG 24 HA ARG 24 4.831 -15.619 2.352 166 HB2 ARG 24 1HB ARG 24 7.623 -16.599 2.974 167 HB3 ARG 24 2HB ARG 24 6.444 -16.077 4.169 168 HG2 ARG 24 1HG ARG 24 5.064 -17.927 3.784 169 HG3 ARG 24 2HG ARG 24 5.867 -18.315 2.261 170 HD2 ARG 24 1HD ARG 24 7.795 -19.106 3.365 171 HD3 ARG 24 2HD ARG 24 7.302 -18.391 4.899 172 HE ARG 24 HE ARG 24 5.351 -20.235 4.159 173 HH11 ARG 24 2HH1 ARG 24 8.711 -20.199 5.068 174 HH12 ARG 24 1HH1 ARG 24 8.676 -21.787 5.759 175 HH21 ARG 24 2HH2 ARG 24 5.292 -22.328 5.066 176 HH22 ARG 24 1HH2 ARG 24 6.731 -22.997 5.757 177 H GLN 25 H GLN 25 6.155 -14.001 0.248 178 HA GLN 25 HA GLN 25 6.629 -11.665 1.842 179 HB2 GLN 25 1HB GLN 25 8.851 -12.842 1.859 180 HB3 GLN 25 2HB GLN 25 8.908 -12.635 0.114 181 HG2 GLN 25 1HG GLN 25 8.740 -10.178 0.468 182 HG3 GLN 25 2HG GLN 25 8.882 -10.471 2.201 183 HE21 GLN 25 1HE2 GLN 25 10.581 -9.345 -0.205 184 HE22 GLN 25 2HE2 GLN 25 12.160 -9.938 0.168 185 H LEU 26 H LEU 26 6.713 -9.725 0.587 186 HA LEU 26 HA LEU 26 6.316 -9.935 -2.282 187 HB2 LEU 26 1HB LEU 26 4.192 -9.081 -0.356 188 HB3 LEU 26 2HB LEU 26 4.247 -8.396 -1.979 189 HG LEU 26 HG LEU 26 4.056 -11.352 -1.423 190 HD11 LEU 26 1HD1 LEU 26 2.111 -10.041 -0.537 191 HD12 LEU 26 2HD1 LEU 26 1.711 -11.220 -1.786 192 HD13 LEU 26 3HD1 LEU 26 1.806 -9.505 -2.190 193 HD21 LEU 26 1HD2 LEU 26 4.921 -10.330 -3.659 194 HD22 LEU 26 2HD2 LEU 26 3.218 -9.962 -3.931 195 HD23 LEU 26 3HD2 LEU 26 3.732 -11.632 -3.688 196 H GLU 27 H GLU 27 7.344 -8.320 -3.255 197 HA GLU 27 HA GLU 27 7.811 -5.840 -1.732 198 HB2 GLU 27 1HB GLU 27 9.819 -7.401 -2.165 199 HB3 GLU 27 2HB GLU 27 9.695 -6.873 -3.837 200 HG2 GLU 27 1HG GLU 27 10.089 -4.593 -3.206 201 HG3 GLU 27 2HG GLU 27 10.042 -5.017 -1.496 202 H LEU 28 H LEU 28 7.063 -4.043 -2.640 203 HA LEU 28 HA LEU 28 6.555 -4.041 -5.541 204 HB2 LEU 28 1HB LEU 28 4.875 -2.583 -3.519 205 HB3 LEU 28 2HB LEU 28 4.535 -2.839 -5.229 206 HG LEU 28 HG LEU 28 4.562 -5.006 -3.129 207 HD11 LEU 28 1HD1 LEU 28 2.373 -3.314 -4.266 208 HD12 LEU 28 2HD1 LEU 28 2.683 -3.768 -2.590 209 HD13 LEU 28 3HD1 LEU 28 2.047 -4.960 -3.722 210 HD21 LEU 28 1HD2 LEU 28 4.234 -6.503 -4.763 211 HD22 LEU 28 2HD2 LEU 28 4.922 -5.270 -5.820 212 HD23 LEU 28 3HD2 LEU 28 3.172 -5.427 -5.670 213 H THR 29 H THR 29 6.395 -1.817 -6.461 214 HA THR 29 HA THR 29 7.724 0.294 -4.987 215 HB THR 29 HB THR 29 9.596 -1.070 -5.929 216 HG1 THR 29 1HG THR 29 9.299 1.502 -5.897 217 HG21 THR 29 1HG2 THR 29 9.070 -0.025 -8.645 218 HG22 THR 29 2HG2 THR 29 8.074 -1.383 -8.123 219 HG23 THR 29 3HG2 THR 29 9.831 -1.532 -8.138 220 H TRP 30 H TRP 30 6.633 2.080 -5.437 221 HA TRP 30 HA TRP 30 5.488 2.387 -8.137 222 HB2 TRP 30 1HB TRP 30 3.752 3.839 -7.000 223 HB3 TRP 30 2HB TRP 30 3.663 2.119 -6.630 224 HD1 TRP 30 HD TRP 30 4.544 5.484 -5.032 225 HE1 TRP 30 1HE TRP 30 4.584 5.193 -2.474 226 HE3 TRP 30 3HE TRP 30 4.032 0.403 -4.784 227 HZ2 TRP 30 2HZ TRP 30 4.421 3.088 -0.601 228 HZ3 TRP 30 3HZ TRP 30 3.983 -0.671 -2.571 229 HH2 TRP 30 HH TRP 30 4.175 0.645 -0.524 230 H ALA 31 H ALA 31 6.858 3.719 -9.166 231 HA ALA 31 HA ALA 31 7.190 6.406 -8.108 232 HB1 ALA 31 1HB ALA 31 9.272 4.487 -7.917 233 HB2 ALA 31 2HB ALA 31 9.742 5.689 -9.119 234 HB3 ALA 31 3HB ALA 31 9.307 6.197 -7.487 235 H GLY 32 H GLY 32 8.108 7.898 -9.739 236 HA2 GLY 32 1HA GLY 32 8.802 8.050 -12.138 237 HA3 GLY 32 2HA GLY 32 7.455 6.971 -12.469 238 H SER 33 H SER 33 7.807 9.919 -10.497 239 HA SER 33 HA SER 33 5.309 10.914 -11.629 240 HB2 SER 33 1HB SER 33 5.362 11.119 -9.270 241 HB3 SER 33 2HB SER 33 7.006 11.759 -9.282 242 HG SER 33 HG SER 33 4.947 13.202 -9.114 243 H ARG 34 H ARG 34 8.567 12.221 -10.985 244 HA ARG 34 HA ARG 34 8.531 13.567 -13.562 245 HB2 ARG 34 1HB ARG 34 8.367 14.962 -10.939 246 HB3 ARG 34 2HB ARG 34 9.423 15.658 -12.161 247 HG2 ARG 34 1HG ARG 34 7.554 15.791 -13.718 248 HG3 ARG 34 2HG ARG 34 6.491 15.065 -12.510 249 HD2 ARG 34 1HD ARG 34 6.981 16.972 -11.005 250 HD3 ARG 34 2HD ARG 34 7.928 17.708 -12.298 251 HE ARG 34 HE ARG 34 5.076 17.672 -12.055 252 HH11 ARG 34 2HH1 ARG 34 7.723 17.795 -14.314 253 HH12 ARG 34 1HH1 ARG 34 6.803 18.587 -15.550 254 HH21 ARG 34 2HH2 ARG 34 3.854 18.715 -13.675 255 HH22 ARG 34 1HH2 ARG 34 4.603 19.111 -15.185 256 HA PRO 35 HA PRO 35 12.774 12.388 -13.421 257 HB2 PRO 35 1HB PRO 35 13.708 13.987 -15.407 258 HB3 PRO 35 2HB PRO 35 12.732 12.545 -15.713 259 HG2 PRO 35 1HG PRO 35 11.893 15.418 -15.632 260 HG3 PRO 35 2HG PRO 35 11.431 14.149 -16.782 261 HD2 PRO 35 1HD PRO 35 9.829 14.917 -14.738 262 HD3 PRO 35 2HD PRO 35 9.860 13.252 -15.354 263 H ARG 36 H ARG 36 11.594 15.289 -12.343 264 HA ARG 36 HA ARG 36 14.275 16.337 -11.722 265 HB2 ARG 36 1HB ARG 36 11.633 17.806 -11.671 266 HB3 ARG 36 2HB ARG 36 13.221 18.509 -11.392 267 HG2 ARG 36 1HG ARG 36 12.749 17.101 -13.963 268 HG3 ARG 36 2HG ARG 36 12.010 18.687 -13.725 269 HD2 ARG 36 1HD ARG 36 14.104 19.079 -14.751 270 HD3 ARG 36 2HD ARG 36 14.297 19.515 -13.054 271 HE ARG 36 HE ARG 36 15.061 16.808 -13.675 272 HH11 ARG 36 2HH1 ARG 36 16.102 20.125 -13.478 273 HH12 ARG 36 1HH1 ARG 36 17.777 19.724 -13.288 274 HH21 ARG 36 2HH2 ARG 36 17.264 16.268 -13.426 275 HH22 ARG 36 1HH2 ARG 36 18.437 17.531 -13.260 276 H ASN 37 H ASN 37 14.192 17.690 -9.589 277 HA ASN 37 HA ASN 37 13.847 15.910 -7.465 278 HB2 ASN 37 1HB ASN 37 15.215 18.154 -7.674 279 HB3 ASN 37 2HB ASN 37 13.759 18.862 -6.981 280 HD21 ASN 37 1HD2 ASN 37 13.749 19.014 -4.868 281 HD22 ASN 37 2HD2 ASN 37 14.620 18.007 -3.766 282 HA PRO 38 HA PRO 38 9.528 16.110 -6.613 283 HB2 PRO 38 1HB PRO 38 9.581 15.235 -4.043 284 HB3 PRO 38 2HB PRO 38 9.831 14.165 -5.428 285 HG2 PRO 38 1HG PRO 38 11.855 15.428 -3.619 286 HG3 PRO 38 2HG PRO 38 11.798 13.772 -4.250 287 HD2 PRO 38 1HD PRO 38 13.393 15.683 -5.316 288 HD3 PRO 38 2HD PRO 38 12.674 14.385 -6.292 289 H GLY 39 H GLY 39 8.063 16.901 -4.731 290 HA2 GLY 39 1HA GLY 39 8.615 19.679 -4.355 291 HA3 GLY 39 2HA GLY 39 7.229 18.800 -3.726 292 H GLY 40 H GLY 40 7.136 18.430 -1.598 293 HA2 GLY 40 1HA GLY 40 9.626 18.803 -0.050 294 HA3 GLY 40 2HA GLY 40 8.070 19.416 0.490 295 H ASN 41 H ASN 41 8.658 18.168 2.444 296 HA ASN 41 HA ASN 41 8.919 15.399 2.519 297 HB2 ASN 41 1HB ASN 41 9.389 16.690 4.487 298 HB3 ASN 41 2HB ASN 41 7.744 17.316 4.538 299 HD21 ASN 41 1HD2 ASN 41 9.653 14.366 4.796 300 HD22 ASN 41 2HD2 ASN 41 8.569 13.543 5.861 301 H LEU 42 H LEU 42 7.575 13.815 1.994 302 HA LEU 42 HA LEU 42 4.702 14.153 2.410 303 HB2 LEU 42 1HB LEU 42 6.048 13.560 -0.198 304 HB3 LEU 42 2HB LEU 42 4.420 12.970 0.127 305 HG LEU 42 HG LEU 42 5.027 15.881 0.436 306 HD11 LEU 42 1HD1 LEU 42 4.348 14.549 -2.181 307 HD12 LEU 42 2HD1 LEU 42 5.928 15.209 -1.762 308 HD13 LEU 42 3HD1 LEU 42 4.532 16.278 -1.890 309 HD21 LEU 42 1HD2 LEU 42 2.596 15.757 -0.612 310 HD22 LEU 42 2HD2 LEU 42 2.880 15.541 1.116 311 HD23 LEU 42 3HD2 LEU 42 2.653 14.134 0.076 312 H SER 43 H SER 43 3.527 12.160 2.496 313 HA SER 43 HA SER 43 5.246 9.815 2.986 314 HB2 SER 43 1HB SER 43 2.651 10.465 4.402 315 HB3 SER 43 2HB SER 43 3.743 9.128 4.759 316 HG SER 43 HG SER 43 5.327 11.021 5.021 317 H TYR 44 H TYR 44 3.712 7.760 3.079 318 HA TYR 44 HA TYR 44 1.778 7.874 0.876 319 HB2 TYR 44 1HB TYR 44 3.906 5.738 1.085 320 HB3 TYR 44 2HB TYR 44 2.721 5.935 -0.201 321 HD1 TYR 44 2HD TYR 44 2.820 8.299 -1.411 322 HD2 TYR 44 1HD TYR 44 6.046 6.524 0.721 323 HE1 TYR 44 2HE TYR 44 4.410 9.692 -2.669 324 HE2 TYR 44 1HE TYR 44 7.645 7.912 -0.529 325 HH TYR 44 HH TYR 44 6.545 10.386 -2.801 326 H GLU 45 H GLU 45 -0.007 6.676 1.196 327 HA GLU 45 HA GLU 45 -0.140 5.110 3.669 328 HB2 GLU 45 1HB GLU 45 -1.796 6.905 3.382 329 HB3 GLU 45 2HB GLU 45 -2.361 6.148 1.900 330 HG2 GLU 45 1HG GLU 45 -3.867 5.650 3.712 331 HG3 GLU 45 2HG GLU 45 -3.056 4.178 3.180 332 H LEU 46 H LEU 46 -0.045 2.974 3.570 333 HA LEU 46 HA LEU 46 -0.698 1.648 1.026 334 HB2 LEU 46 1HB LEU 46 1.620 1.498 2.280 335 HB3 LEU 46 2HB LEU 46 0.775 0.262 3.210 336 HG LEU 46 HG LEU 46 2.116 -0.690 1.389 337 HD11 LEU 46 1HD1 LEU 46 -0.554 -1.258 0.357 338 HD12 LEU 46 2HD1 LEU 46 -0.437 -1.352 2.113 339 HD13 LEU 46 3HD1 LEU 46 0.628 -2.331 1.105 340 HD21 LEU 46 1HD2 LEU 46 0.213 0.701 -0.488 341 HD22 LEU 46 2HD2 LEU 46 1.604 -0.299 -0.908 342 HD23 LEU 46 3HD2 LEU 46 1.846 1.271 -0.141 343 H HIS 47 H HIS 47 -2.346 0.254 0.923 344 HA HIS 47 HA HIS 47 -3.487 -0.765 3.435 345 HB2 HIS 47 1HB HIS 47 -4.866 1.113 2.646 346 HB3 HIS 47 2HB HIS 47 -5.062 0.315 1.087 347 HD1 HIS 47 1HD HIS 47 -7.652 0.339 1.508 348 HD2 HIS 47 2HD HIS 47 -5.461 -1.956 4.191 349 HE1 HIS 47 1HE HIS 47 -9.337 -1.108 2.688 350 HE2 HIS 47 2HE HIS 47 -7.999 -2.426 4.366 351 H VAL 48 H VAL 48 -3.293 -2.899 3.408 352 HA VAL 48 HA VAL 48 -3.519 -4.314 0.837 353 HB VAL 48 HB VAL 48 -2.238 -5.224 3.418 354 HG11 VAL 48 1HG1 VAL 48 -1.376 -7.073 1.860 355 HG12 VAL 48 2HG1 VAL 48 -3.043 -7.181 2.427 356 HG13 VAL 48 3HG1 VAL 48 -2.701 -6.605 0.795 357 HG21 VAL 48 1HG2 VAL 48 -0.471 -4.085 2.688 358 HG22 VAL 48 2HG2 VAL 48 -0.370 -5.233 1.353 359 HG23 VAL 48 3HG2 VAL 48 -1.259 -3.724 1.152 360 H LEU 49 H LEU 49 -5.117 -5.741 0.504 361 HA LEU 49 HA LEU 49 -6.807 -6.480 2.802 362 HB2 LEU 49 1HB LEU 49 -7.661 -5.869 -0.023 363 HB3 LEU 49 2HB LEU 49 -8.721 -6.499 1.235 364 HG LEU 49 HG LEU 49 -8.148 -4.380 2.540 365 HD11 LEU 49 1HD1 LEU 49 -7.114 -3.628 -0.185 366 HD12 LEU 49 2HD1 LEU 49 -6.237 -3.611 1.345 367 HD13 LEU 49 3HD1 LEU 49 -7.539 -2.456 1.063 368 HD21 LEU 49 1HD2 LEU 49 -9.888 -3.134 1.457 369 HD22 LEU 49 2HD2 LEU 49 -10.302 -4.847 1.390 370 HD23 LEU 49 3HD2 LEU 49 -9.665 -4.037 -0.042 371 H ASN 50 H ASN 50 -7.974 -8.512 2.568 372 HA ASN 50 HA ASN 50 -6.982 -10.362 0.553 373 HB2 ASN 50 1HB ASN 50 -5.346 -10.992 2.027 374 HB3 ASN 50 2HB ASN 50 -6.268 -10.477 3.436 375 HD21 ASN 50 1HD2 ASN 50 -5.361 -13.074 1.456 376 HD22 ASN 50 2HD2 ASN 50 -6.310 -14.300 2.220 377 H GLN 51 H GLN 51 -8.071 -12.560 0.836 378 HA GLN 51 HA GLN 51 -10.704 -12.518 0.453 379 HB2 GLN 51 1HB GLN 51 -8.998 -14.560 1.818 380 HB3 GLN 51 2HB GLN 51 -10.737 -14.812 1.740 381 HG2 GLN 51 1HG GLN 51 -10.679 -14.715 -0.673 382 HG3 GLN 51 2HG GLN 51 -8.954 -14.352 -0.641 383 HE21 GLN 51 1HE2 GLN 51 -9.508 -16.381 -2.142 384 HE22 GLN 51 2HE2 GLN 51 -9.163 -17.896 -1.387 385 H ASP 52 H ASP 52 -9.454 -13.253 3.714 386 HA ASP 52 HA ASP 52 -11.785 -11.837 4.822 387 HB2 ASP 52 1HB ASP 52 -10.780 -14.579 5.389 388 HB3 ASP 52 2HB ASP 52 -11.376 -13.639 6.755 389 H GLU 53 H GLU 53 -9.074 -10.889 4.354 390 HA GLU 53 HA GLU 53 -8.477 -10.059 7.090 391 HB2 GLU 53 1HB GLU 53 -6.503 -11.346 5.210 392 HB3 GLU 53 2HB GLU 53 -5.998 -10.335 6.557 393 HG2 GLU 53 1HG GLU 53 -7.806 -12.679 6.987 394 HG3 GLU 53 2HG GLU 53 -6.059 -12.882 6.872 395 H GLU 54 H GLU 54 -8.563 -7.920 7.070 396 HA GLU 54 HA GLU 54 -7.449 -6.490 4.747 397 HB2 GLU 54 1HB GLU 54 -9.802 -6.200 4.599 398 HB3 GLU 54 2HB GLU 54 -9.948 -5.907 6.326 399 HG2 GLU 54 1HG GLU 54 -8.296 -3.895 5.639 400 HG3 GLU 54 2HG GLU 54 -9.218 -4.073 4.148 401 H TRP 55 H TRP 55 -5.684 -5.419 5.307 402 HA TRP 55 HA TRP 55 -5.662 -3.919 7.818 403 HB2 TRP 55 1HB TRP 55 -3.572 -4.763 8.545 404 HB3 TRP 55 2HB TRP 55 -4.521 -6.180 8.106 405 HD1 TRP 55 HD TRP 55 -1.499 -4.129 6.958 406 HE1 TRP 55 1HE TRP 55 -0.150 -5.529 5.271 407 HE3 TRP 55 3HE TRP 55 -4.725 -8.055 6.398 408 HZ2 TRP 55 2HZ TRP 55 -0.418 -7.974 3.887 409 HZ3 TRP 55 3HZ TRP 55 -4.103 -9.884 4.873 410 HH2 TRP 55 HH TRP 55 -1.994 -9.842 3.644 411 H HIS 56 H HIS 56 -4.268 -2.120 7.829 412 HA HIS 56 HA HIS 56 -2.973 -1.468 5.275 413 HB2 HIS 56 1HB HIS 56 -3.831 0.960 5.819 414 HB3 HIS 56 2HB HIS 56 -4.868 -0.184 4.971 415 HD1 HIS 56 1HD HIS 56 -6.986 1.035 5.833 416 HD2 HIS 56 2HD HIS 56 -4.574 -0.529 8.833 417 HE1 HIS 56 1HE HIS 56 -8.380 1.112 7.925 418 HE2 HIS 56 2HE HIS 56 -6.870 0.240 9.743 419 H GLN 57 H GLN 57 -1.133 -0.215 5.419 420 HA GLN 57 HA GLN 57 -0.310 0.761 8.045 421 HB2 GLN 57 1HB GLN 57 1.832 -0.350 7.966 422 HB3 GLN 57 2HB GLN 57 0.557 -1.555 7.839 423 HG2 GLN 57 1HG GLN 57 0.907 -1.736 5.460 424 HG3 GLN 57 2HG GLN 57 2.103 -0.442 5.510 425 HE21 GLN 57 1HE2 GLN 57 3.813 -1.612 4.779 426 HE22 GLN 57 2HE2 GLN 57 4.526 -2.919 5.655 427 H MET 58 H MET 58 0.708 2.666 7.929 428 HA MET 58 HA MET 58 1.085 3.894 5.358 429 HB2 MET 58 1HB MET 58 0.212 5.163 7.280 430 HB3 MET 58 2HB MET 58 1.736 4.929 8.124 431 HG2 MET 58 1HG MET 58 1.782 6.201 5.440 432 HG3 MET 58 2HG MET 58 1.212 7.143 6.815 433 HE1 MET 58 1HE MET 58 3.888 8.941 7.498 434 HE2 MET 58 2HE MET 58 2.281 8.404 7.988 435 HE3 MET 58 3HE MET 58 3.690 7.971 8.958 436 H VAL 59 H VAL 59 2.962 4.352 4.316 437 HA VAL 59 HA VAL 59 5.470 3.494 5.602 438 HB VAL 59 HB VAL 59 6.274 2.753 3.374 439 HG11 VAL 59 1HG1 VAL 59 4.024 0.994 3.487 440 HG12 VAL 59 2HG1 VAL 59 5.678 0.720 4.038 441 HG13 VAL 59 3HG1 VAL 59 4.493 1.446 5.125 442 HG21 VAL 59 1HG2 VAL 59 3.508 2.607 2.331 443 HG22 VAL 59 2HG2 VAL 59 4.285 4.190 2.311 444 HG23 VAL 59 3HG2 VAL 59 5.034 2.830 1.475 445 H LEU 60 H LEU 60 7.272 4.739 5.235 446 HA LEU 60 HA LEU 60 6.759 7.371 4.070 447 HB2 LEU 60 1HB LEU 60 9.180 6.478 5.618 448 HB3 LEU 60 2HB LEU 60 8.680 8.130 5.263 449 HG LEU 60 HG LEU 60 6.864 6.418 6.888 450 HD11 LEU 60 1HD1 LEU 60 9.294 6.224 7.719 451 HD12 LEU 60 2HD1 LEU 60 8.040 6.675 8.873 452 HD13 LEU 60 3HD1 LEU 60 9.104 7.910 8.200 453 HD21 LEU 60 1HD2 LEU 60 7.576 9.341 6.779 454 HD22 LEU 60 2HD2 LEU 60 6.529 8.639 8.013 455 HD23 LEU 60 3HD2 LEU 60 6.056 8.579 6.314 456 H GLU 61 H GLU 61 7.360 4.804 2.569 457 HA GLU 61 HA GLU 61 9.341 5.986 0.787 458 HB2 GLU 61 1HB GLU 61 10.579 3.856 0.592 459 HB3 GLU 61 2HB GLU 61 10.695 4.558 2.200 460 HG2 GLU 61 1HG GLU 61 8.650 2.467 1.567 461 HG3 GLU 61 2HG GLU 61 10.306 2.036 1.989 462 HA PRO 62 HA PRO 62 6.625 4.508 -2.332 463 HB2 PRO 62 1HB PRO 62 8.354 4.277 -4.412 464 HB3 PRO 62 2HB PRO 62 7.798 5.836 -3.794 465 HG2 PRO 62 1HG PRO 62 10.363 4.390 -3.255 466 HG3 PRO 62 2HG PRO 62 10.098 6.112 -3.583 467 HD2 PRO 62 1HD PRO 62 10.475 5.146 -1.081 468 HD3 PRO 62 2HD PRO 62 9.445 6.553 -1.416 469 H ARG 63 H ARG 63 8.834 2.584 -0.840 470 HA ARG 63 HA ARG 63 7.985 0.230 -2.387 471 HB2 ARG 63 1HB ARG 63 10.141 -0.783 -2.147 472 HB3 ARG 63 2HB ARG 63 10.379 0.826 -2.815 473 HG2 ARG 63 1HG ARG 63 10.692 1.467 -0.282 474 HG3 ARG 63 2HG ARG 63 11.096 -0.245 -0.140 475 HD2 ARG 63 1HD ARG 63 12.357 1.519 -2.217 476 HD3 ARG 63 2HD ARG 63 13.008 1.396 -0.583 477 HE ARG 63 HE ARG 63 13.204 -0.557 -2.675 478 HH11 ARG 63 2HH1 ARG 63 13.180 -0.068 0.772 479 HH12 ARG 63 1HH1 ARG 63 14.074 -1.512 1.114 480 HH21 ARG 63 2HH2 ARG 63 14.382 -2.460 -2.237 481 HH22 ARG 63 1HH2 ARG 63 14.758 -2.871 -0.598 482 H VAL 64 H VAL 64 7.003 -1.280 -1.211 483 HA VAL 64 HA VAL 64 7.371 -1.226 1.715 484 HB VAL 64 HB VAL 64 5.122 -0.478 1.056 485 HG11 VAL 64 1HG1 VAL 64 4.838 -1.629 -1.029 486 HG12 VAL 64 2HG1 VAL 64 4.941 -3.199 -0.229 487 HG13 VAL 64 3HG1 VAL 64 3.558 -2.145 0.069 488 HG21 VAL 64 1HG2 VAL 64 4.801 -1.353 3.099 489 HG22 VAL 64 2HG2 VAL 64 3.976 -2.649 2.231 490 HG23 VAL 64 3HG2 VAL 64 5.663 -2.841 2.707 491 H LEU 65 H LEU 65 7.668 -3.143 2.776 492 HA LEU 65 HA LEU 65 7.931 -5.539 1.081 493 HB2 LEU 65 1HB LEU 65 10.005 -4.443 2.177 494 HB3 LEU 65 2HB LEU 65 9.395 -5.163 3.666 495 HG LEU 65 HG LEU 65 11.127 -6.549 2.677 496 HD11 LEU 65 1HD1 LEU 65 9.403 -7.685 3.913 497 HD12 LEU 65 2HD1 LEU 65 9.859 -8.665 2.520 498 HD13 LEU 65 3HD1 LEU 65 8.362 -7.734 2.490 499 HD21 LEU 65 1HD2 LEU 65 9.906 -7.683 0.439 500 HD22 LEU 65 2HD2 LEU 65 11.318 -6.626 0.465 501 HD23 LEU 65 3HD2 LEU 65 9.706 -5.942 0.245 502 H LEU 66 H LEU 66 6.249 -6.835 1.427 503 HA LEU 66 HA LEU 66 5.067 -6.992 4.099 504 HB2 LEU 66 1HB LEU 66 4.108 -8.160 1.491 505 HB3 LEU 66 2HB LEU 66 3.225 -8.159 3.016 506 HG LEU 66 HG LEU 66 3.984 -5.663 1.503 507 HD11 LEU 66 1HD1 LEU 66 1.169 -6.495 1.622 508 HD12 LEU 66 2HD1 LEU 66 2.205 -7.490 0.599 509 HD13 LEU 66 3HD1 LEU 66 2.084 -5.754 0.309 510 HD21 LEU 66 1HD2 LEU 66 3.084 -6.094 4.138 511 HD22 LEU 66 2HD2 LEU 66 1.721 -5.434 3.234 512 HD23 LEU 66 3HD2 LEU 66 3.253 -4.561 3.283 513 H THR 67 H THR 67 5.101 -8.795 5.337 514 HA THR 67 HA THR 67 6.266 -11.244 4.210 515 HB THR 67 HB THR 67 7.632 -11.579 6.226 516 HG1 THR 67 1HG THR 67 7.808 -9.927 7.746 517 HG21 THR 67 1HG2 THR 67 8.231 -8.884 5.010 518 HG22 THR 67 2HG2 THR 67 8.539 -10.416 4.194 519 HG23 THR 67 3HG2 THR 67 9.378 -10.033 5.697 520 H LYS 68 H LYS 68 6.020 -13.112 5.792 521 HA LYS 68 HA LYS 68 4.737 -14.459 7.112 522 HB2 LYS 68 1HB LYS 68 3.108 -12.103 8.009 523 HB3 LYS 68 2HB LYS 68 3.514 -13.567 8.895 524 HG2 LYS 68 1HG LYS 68 5.742 -11.782 8.094 525 HG3 LYS 68 2HG LYS 68 4.676 -11.243 9.394 526 HD2 LYS 68 1HD LYS 68 5.856 -13.999 9.414 527 HD3 LYS 68 2HD LYS 68 6.781 -12.614 9.998 528 HE2 LYS 68 1HE LYS 68 5.792 -13.264 11.950 529 HE3 LYS 68 2HE LYS 68 4.561 -12.153 11.352 530 HZ1 LYS 68 1HZ LYS 68 3.102 -13.798 11.266 531 HZ2 LYS 68 2HZ LYS 68 4.232 -14.815 12.006 532 HZ3 LYS 68 3HZ LYS 68 4.129 -14.752 10.319 533 H LEU 69 H LEU 69 4.007 -13.530 4.369 534 HA LEU 69 HA LEU 69 1.102 -13.680 4.376 535 HB2 LEU 69 1HB LEU 69 2.975 -13.548 2.021 536 HB3 LEU 69 2HB LEU 69 1.237 -13.254 2.015 537 HG LEU 69 HG LEU 69 3.028 -11.512 3.656 538 HD11 LEU 69 1HD1 LEU 69 2.751 -11.519 0.681 539 HD12 LEU 69 2HD1 LEU 69 4.186 -11.266 1.673 540 HD13 LEU 69 3HD1 LEU 69 2.965 -9.999 1.550 541 HD21 LEU 69 1HD2 LEU 69 1.083 -10.513 4.030 542 HD22 LEU 69 2HD2 LEU 69 0.265 -11.604 2.910 543 HD23 LEU 69 3HD2 LEU 69 0.993 -10.111 2.315 544 H GLN 70 H GLN 70 0.106 -15.161 2.669 545 HA GLN 70 HA GLN 70 1.247 -17.837 3.042 546 HB2 GLN 70 1HB GLN 70 -1.536 -16.838 2.507 547 HB3 GLN 70 2HB GLN 70 -1.109 -18.520 2.219 548 HG2 GLN 70 1HG GLN 70 -0.779 -17.104 4.853 549 HG3 GLN 70 2HG GLN 70 -2.157 -18.115 4.420 550 HE21 GLN 70 1HE2 GLN 70 0.854 -18.049 5.843 551 HE22 GLN 70 2HE2 GLN 70 1.168 -19.747 5.885 552 HA PRO 71 HA PRO 71 2.361 -18.133 -1.205 553 HB2 PRO 71 1HB PRO 71 2.382 -20.836 -1.453 554 HB3 PRO 71 2HB PRO 71 3.636 -19.941 -0.588 555 HG2 PRO 71 1HG PRO 71 1.265 -21.409 0.500 556 HG3 PRO 71 2HG PRO 71 2.935 -21.386 1.094 557 HD2 PRO 71 1HD PRO 71 0.968 -19.903 2.219 558 HD3 PRO 71 2HD PRO 71 2.658 -19.364 2.166 559 H ASP 72 H ASP 72 1.514 -18.640 -3.252 560 HA ASP 72 HA ASP 72 -0.172 -18.747 -4.784 561 HB2 ASP 72 1HB ASP 72 0.146 -21.154 -4.252 562 HB3 ASP 72 2HB ASP 72 -1.113 -21.023 -3.028 563 H THR 73 H THR 73 -0.638 -16.754 -3.009 564 HA THR 73 HA THR 73 -3.565 -16.832 -2.752 565 HB THR 73 HB THR 73 -1.750 -15.583 -0.683 566 HG1 THR 73 1HG THR 73 -3.201 -17.591 0.297 567 HG21 THR 73 1HG2 THR 73 -3.626 -14.915 0.440 568 HG22 THR 73 2HG2 THR 73 -4.612 -16.229 -0.203 569 HG23 THR 73 3HG2 THR 73 -4.242 -14.829 -1.210 570 H THR 74 H THR 74 -4.626 -14.916 -3.170 571 HA THR 74 HA THR 74 -3.032 -12.898 -4.553 572 HB THR 74 HB THR 74 -6.036 -13.226 -4.416 573 HG1 THR 74 1HG THR 74 -5.821 -14.157 -6.433 574 HG21 THR 74 1HG2 THR 74 -4.588 -10.964 -5.086 575 HG22 THR 74 2HG2 THR 74 -6.255 -11.308 -5.549 576 HG23 THR 74 3HG2 THR 74 -4.934 -11.715 -6.643 577 H TYR 75 H TYR 75 -2.495 -11.045 -3.619 578 HA TYR 75 HA TYR 75 -4.112 -10.097 -1.344 579 HB2 TYR 75 1HB TYR 75 -1.127 -9.995 -1.771 580 HB3 TYR 75 2HB TYR 75 -1.948 -9.003 -0.571 581 HD1 TYR 75 2HD TYR 75 -3.094 -10.082 1.348 582 HD2 TYR 75 1HD TYR 75 -0.732 -12.318 -1.395 583 HE1 TYR 75 2HE TYR 75 -2.983 -11.935 2.962 584 HE2 TYR 75 1HE TYR 75 -0.615 -14.177 0.211 585 HH TYR 75 HH TYR 75 -2.200 -14.965 2.232 586 H ILE 76 H ILE 76 -5.085 -8.217 -1.659 587 HA ILE 76 HA ILE 76 -4.461 -6.618 -3.982 588 HB ILE 76 HB ILE 76 -6.470 -6.009 -1.814 589 HG12 ILE 76 1HG1 ILE 76 -6.813 -8.261 -2.839 590 HG13 ILE 76 2HG1 ILE 76 -8.131 -7.138 -3.155 591 HG21 ILE 76 1HG2 ILE 76 -7.575 -4.850 -3.820 592 HG22 ILE 76 2HG2 ILE 76 -6.173 -4.075 -3.083 593 HG23 ILE 76 3HG2 ILE 76 -5.992 -4.977 -4.587 594 HD11 ILE 76 1HD1 ILE 76 -5.907 -7.741 -5.087 595 HD12 ILE 76 2HD1 ILE 76 -7.499 -8.501 -5.110 596 HD13 ILE 76 3HD1 ILE 76 -7.346 -6.766 -5.390 597 H VAL 77 H VAL 77 -3.450 -4.686 -4.041 598 HA VAL 77 HA VAL 77 -2.718 -3.410 -1.496 599 HB VAL 77 HB VAL 77 -0.814 -3.827 -3.805 600 HG11 VAL 77 1HG1 VAL 77 -0.190 -2.720 -1.079 601 HG12 VAL 77 2HG1 VAL 77 0.825 -2.711 -2.523 602 HG13 VAL 77 3HG1 VAL 77 -0.615 -1.695 -2.449 603 HG21 VAL 77 1HG2 VAL 77 -0.918 -5.108 -1.077 604 HG22 VAL 77 2HG2 VAL 77 -1.153 -5.907 -2.632 605 HG23 VAL 77 3HG2 VAL 77 0.429 -5.255 -2.206 606 H ARG 78 H ARG 78 -2.524 -1.177 -1.545 607 HA ARG 78 HA ARG 78 -2.774 0.263 -4.038 608 HB2 ARG 78 1HB ARG 78 -4.816 1.507 -3.214 609 HB3 ARG 78 2HB ARG 78 -5.091 -0.153 -3.726 610 HG2 ARG 78 1HG ARG 78 -5.382 -0.908 -1.541 611 HG3 ARG 78 2HG ARG 78 -4.610 0.520 -0.849 612 HD2 ARG 78 1HD ARG 78 -6.956 0.716 -0.475 613 HD3 ARG 78 2HD ARG 78 -6.517 1.875 -1.728 614 HE ARG 78 HE ARG 78 -7.765 0.675 -3.249 615 HH11 ARG 78 2HH1 ARG 78 -7.453 -1.117 -0.281 616 HH12 ARG 78 1HH1 ARG 78 -8.645 -2.297 -0.716 617 HH21 ARG 78 2HH2 ARG 78 -9.336 -0.873 -3.833 618 HH22 ARG 78 1HH2 ARG 78 -9.715 -2.158 -2.737 619 H VAL 79 H VAL 79 -1.398 1.892 -3.858 620 HA VAL 79 HA VAL 79 -0.947 3.076 -1.198 621 HB VAL 79 HB VAL 79 1.002 1.966 -2.411 622 HG11 VAL 79 1HG1 VAL 79 1.669 2.665 -4.420 623 HG12 VAL 79 2HG1 VAL 79 0.149 3.557 -4.512 624 HG13 VAL 79 3HG1 VAL 79 1.609 4.358 -3.932 625 HG21 VAL 79 1HG2 VAL 79 1.855 3.182 -0.720 626 HG22 VAL 79 2HG2 VAL 79 2.379 4.264 -2.010 627 HG23 VAL 79 3HG2 VAL 79 0.895 4.606 -1.120 628 H ARG 80 H ARG 80 -0.853 5.317 -0.971 629 HA ARG 80 HA ARG 80 -1.556 6.954 -3.290 630 HB2 ARG 80 1HB ARG 80 -3.395 8.027 -2.182 631 HB3 ARG 80 2HB ARG 80 -3.669 6.291 -2.135 632 HG2 ARG 80 1HG ARG 80 -3.391 6.163 0.124 633 HG3 ARG 80 2HG ARG 80 -2.303 7.552 0.178 634 HD2 ARG 80 1HD ARG 80 -4.236 9.024 -0.307 635 HD3 ARG 80 2HD ARG 80 -5.290 7.614 -0.224 636 HE ARG 80 HE ARG 80 -3.676 8.013 2.125 637 HH11 ARG 80 2HH1 ARG 80 -6.667 8.793 0.523 638 HH12 ARG 80 1HH1 ARG 80 -7.503 9.181 1.990 639 HH21 ARG 80 2HH2 ARG 80 -4.766 8.522 4.064 640 HH22 ARG 80 1HH2 ARG 80 -6.421 9.028 4.003 641 H THR 81 H THR 81 -0.866 9.076 -3.175 642 HA THR 81 HA THR 81 1.288 9.585 -1.353 643 HB THR 81 HB THR 81 0.026 11.463 -3.361 644 HG1 THR 81 1HG THR 81 0.980 10.203 -4.760 645 HG21 THR 81 1HG2 THR 81 1.306 12.798 -1.924 646 HG22 THR 81 2HG2 THR 81 2.405 12.439 -3.256 647 HG23 THR 81 3HG2 THR 81 2.548 11.561 -1.733 648 H LEU 82 H LEU 82 0.753 10.002 0.711 649 HA LEU 82 HA LEU 82 -1.608 11.375 1.496 650 HB2 LEU 82 1HB LEU 82 0.815 10.326 2.847 651 HB3 LEU 82 2HB LEU 82 -0.119 11.555 3.698 652 HG LEU 82 HG LEU 82 -1.242 8.938 2.701 653 HD11 LEU 82 1HD1 LEU 82 -1.124 9.267 5.565 654 HD12 LEU 82 2HD1 LEU 82 0.484 9.337 4.845 655 HD13 LEU 82 3HD1 LEU 82 -0.550 7.937 4.558 656 HD21 LEU 82 1HD2 LEU 82 -3.249 9.577 3.508 657 HD22 LEU 82 2HD2 LEU 82 -2.612 11.195 3.214 658 HD23 LEU 82 3HD2 LEU 82 -2.545 10.501 4.835 659 H THR 83 H THR 83 -1.948 13.474 2.031 660 HA THR 83 HA THR 83 0.331 15.323 1.949 661 HB THR 83 HB THR 83 -0.648 16.805 0.442 662 HG1 THR 83 1HG THR 83 -2.999 16.102 -0.221 663 HG21 THR 83 1HG2 THR 83 -0.341 14.150 -0.335 664 HG22 THR 83 2HG2 THR 83 -0.424 15.556 -1.396 665 HG23 THR 83 3HG2 THR 83 -1.885 14.639 -1.030 666 HA PRO 84 HA PRO 84 -1.477 17.146 5.513 667 HB2 PRO 84 1HB PRO 84 -0.635 19.714 5.255 668 HB3 PRO 84 2HB PRO 84 0.447 18.388 5.699 669 HG2 PRO 84 1HG PRO 84 0.027 19.678 3.030 670 HG3 PRO 84 2HG PRO 84 1.543 19.191 3.811 671 HD2 PRO 84 1HD PRO 84 0.352 17.703 1.888 672 HD3 PRO 84 2HD PRO 84 1.289 16.980 3.212 673 H LEU 85 H LEU 85 -2.025 18.742 2.414 674 HA LEU 85 HA LEU 85 -4.658 19.611 3.407 675 HB2 LEU 85 1HB LEU 85 -2.642 21.073 1.753 676 HB3 LEU 85 2HB LEU 85 -4.358 21.436 1.577 677 HG LEU 85 HG LEU 85 -2.793 21.665 4.147 678 HD11 LEU 85 1HD1 LEU 85 -2.845 24.033 3.824 679 HD12 LEU 85 2HD1 LEU 85 -3.808 23.864 2.356 680 HD13 LEU 85 3HD1 LEU 85 -2.138 23.299 2.385 681 HD21 LEU 85 1HD2 LEU 85 -5.223 23.162 4.060 682 HD22 LEU 85 2HD2 LEU 85 -4.747 21.880 5.174 683 HD23 LEU 85 3HD2 LEU 85 -5.564 21.478 3.663 684 H GLY 86 H GLY 86 -5.758 17.849 2.573 685 HA2 GLY 86 1HA GLY 86 -7.096 16.920 0.924 686 HA3 GLY 86 2HA GLY 86 -6.353 18.003 -0.244 687 HA PRO 87 HA PRO 87 -3.573 14.034 0.224 688 HB2 PRO 87 1HB PRO 87 -4.898 11.849 1.142 689 HB3 PRO 87 2HB PRO 87 -4.025 12.961 2.204 690 HG2 PRO 87 1HG PRO 87 -6.955 12.817 1.610 691 HG3 PRO 87 2HG PRO 87 -6.140 13.058 3.166 692 HD2 PRO 87 1HD PRO 87 -7.221 15.101 1.757 693 HD3 PRO 87 2HD PRO 87 -5.780 15.300 2.773 694 H GLY 88 H GLY 88 -3.299 12.627 -1.474 695 HA2 GLY 88 1HA GLY 88 -5.171 12.726 -3.595 696 HA3 GLY 88 2HA GLY 88 -3.737 11.711 -3.535 697 HA PRO 89 HA PRO 89 -7.799 9.269 -3.029 698 HB2 PRO 89 1HB PRO 89 -7.956 8.224 -5.529 699 HB3 PRO 89 2HB PRO 89 -8.725 9.749 -5.076 700 HG2 PRO 89 1HG PRO 89 -6.135 9.284 -6.503 701 HG3 PRO 89 2HG PRO 89 -7.406 10.471 -6.849 702 HD2 PRO 89 1HD PRO 89 -5.130 11.116 -5.532 703 HD3 PRO 89 2HD PRO 89 -6.682 11.913 -5.204 704 H PHE 90 H PHE 90 -8.005 6.872 -3.390 705 HA PHE 90 HA PHE 90 -5.421 5.628 -2.884 706 HB2 PHE 90 1HB PHE 90 -8.261 4.921 -2.351 707 HB3 PHE 90 2HB PHE 90 -7.125 3.592 -2.560 708 HD1 PHE 90 2HD PHE 90 -5.269 3.287 -0.995 709 HD2 PHE 90 1HD PHE 90 -8.191 6.329 -0.423 710 HE1 PHE 90 2HE PHE 90 -4.542 3.541 1.342 711 HE2 PHE 90 1HE PHE 90 -7.468 6.589 1.914 712 HZ PHE 90 HZ PHE 90 -5.643 5.193 2.800 713 H SER 91 H SER 91 -4.349 4.464 -4.337 714 HA SER 91 HA SER 91 -4.900 4.333 -7.004 715 HB2 SER 91 1HB SER 91 -3.104 2.889 -7.204 716 HB3 SER 91 2HB SER 91 -2.802 3.559 -5.601 717 HG SER 91 HG SER 91 -3.330 1.007 -6.320 718 HA PRO 92 HA PRO 92 -8.119 1.434 -7.709 719 HB2 PRO 92 1HB PRO 92 -7.355 0.360 -10.083 720 HB3 PRO 92 2HB PRO 92 -7.985 2.005 -9.931 721 HG2 PRO 92 1HG PRO 92 -5.147 1.074 -10.134 722 HG3 PRO 92 2HG PRO 92 -5.934 2.446 -10.934 723 HD2 PRO 92 1HD PRO 92 -4.373 2.738 -8.741 724 HD3 PRO 92 2HD PRO 92 -5.763 3.793 -9.071 725 H ASP 93 H ASP 93 -8.597 -0.590 -7.084 726 HA ASP 93 HA ASP 93 -7.015 -2.294 -5.764 727 HB2 ASP 93 1HB ASP 93 -8.536 -4.121 -6.337 728 HB3 ASP 93 2HB ASP 93 -9.436 -2.633 -6.053 729 H HIS 94 H HIS 94 -5.178 -3.314 -6.167 730 HA HIS 94 HA HIS 94 -4.524 -3.997 -8.954 731 HB2 HIS 94 1HB HIS 94 -2.874 -3.151 -6.613 732 HB3 HIS 94 2HB HIS 94 -2.142 -4.207 -7.817 733 HD1 HIS 94 1HD HIS 94 -3.637 -0.769 -7.447 734 HD2 HIS 94 2HD HIS 94 -1.426 -2.980 -10.182 735 HE1 HIS 94 1HE HIS 94 -2.896 0.876 -9.199 736 HE2 HIS 94 2HE HIS 94 -1.632 -0.500 -10.888 737 H GLU 95 H GLU 95 -5.167 -6.044 -9.292 738 HA GLU 95 HA GLU 95 -5.182 -8.063 -7.298 739 HB2 GLU 95 1HB GLU 95 -6.569 -7.925 -9.463 740 HB3 GLU 95 2HB GLU 95 -5.152 -8.595 -10.260 741 HG2 GLU 95 1HG GLU 95 -5.319 -10.426 -8.420 742 HG3 GLU 95 2HG GLU 95 -6.982 -9.859 -8.275 743 H PHE 96 H PHE 96 -3.368 -8.797 -6.403 744 HA PHE 96 HA PHE 96 -1.130 -9.500 -8.185 745 HB2 PHE 96 1HB PHE 96 -1.067 -8.291 -5.422 746 HB3 PHE 96 2HB PHE 96 0.334 -9.081 -6.138 747 HD1 PHE 96 1HD PHE 96 0.401 -8.221 -8.850 748 HD2 PHE 96 2HD PHE 96 -0.744 -6.022 -5.390 749 HE1 PHE 96 1HE PHE 96 1.003 -6.124 -9.988 750 HE2 PHE 96 2HE PHE 96 -0.144 -3.922 -6.522 751 HZ PHE 96 HZ PHE 96 0.730 -3.971 -8.824 752 H ARG 97 H ARG 97 -0.051 -11.422 -7.787 753 HA ARG 97 HA ARG 97 -1.238 -13.172 -5.737 754 HB2 ARG 97 1HB ARG 97 -1.988 -13.678 -8.102 755 HB3 ARG 97 2HB ARG 97 -0.319 -14.107 -8.455 756 HG2 ARG 97 1HG ARG 97 -0.383 -15.899 -6.858 757 HG3 ARG 97 2HG ARG 97 -1.993 -15.415 -6.324 758 HD2 ARG 97 1HD ARG 97 -2.116 -17.325 -7.829 759 HD3 ARG 97 2HD ARG 97 -2.881 -15.909 -8.547 760 HE ARG 97 HE ARG 97 -0.141 -16.190 -9.318 761 HH11 ARG 97 2HH1 ARG 97 -3.386 -17.265 -9.976 762 HH12 ARG 97 1HH1 ARG 97 -3.052 -17.682 -11.625 763 HH21 ARG 97 2HH2 ARG 97 0.310 -16.735 -11.486 764 HH22 ARG 97 1HH2 ARG 97 -0.949 -17.381 -12.482 765 H THR 98 H THR 98 0.143 -14.485 -4.615 766 HA THR 98 HA THR 98 2.944 -13.783 -4.728 767 HB THR 98 HB THR 98 3.155 -15.313 -2.763 768 HG1 THR 98 1HG THR 98 1.371 -16.336 -1.982 769 HG21 THR 98 1HG2 THR 98 2.084 -13.850 -1.218 770 HG22 THR 98 2HG2 THR 98 0.892 -13.351 -2.419 771 HG23 THR 98 3HG2 THR 98 2.578 -12.864 -2.594 772 H SER 99 H SER 99 4.484 -15.770 -4.278 773 HA SER 99 HA SER 99 4.420 -17.343 -6.672 774 HB2 SER 99 1HB SER 99 6.491 -16.405 -5.447 775 HB3 SER 99 2HB SER 99 6.315 -17.793 -4.373 776 HG SER 99 HG SER 99 7.664 -18.435 -5.990 777 HA PRO 100 HA PRO 100 2.292 -20.882 -5.146 778 HB2 PRO 100 1HB PRO 100 3.228 -22.726 -6.906 779 HB3 PRO 100 2HB PRO 100 2.044 -21.491 -7.348 780 HG2 PRO 100 1HG PRO 100 5.001 -21.529 -7.807 781 HG3 PRO 100 2HG PRO 100 3.704 -21.038 -8.912 782 HD2 PRO 100 1HD PRO 100 5.197 -19.250 -7.532 783 HD3 PRO 100 2HD PRO 100 3.495 -18.958 -7.943 784 HA PRO 101 HA PRO 101 5.074 -22.931 -2.398 785 HB2 PRO 101 1HB PRO 101 3.520 -25.058 -1.741 786 HB3 PRO 101 2HB PRO 101 3.220 -23.425 -1.134 787 HG2 PRO 101 1HG PRO 101 1.903 -24.877 -3.396 788 HG3 PRO 101 2HG PRO 101 1.169 -23.869 -2.135 789 HD2 PRO 101 1HD PRO 101 1.643 -22.955 -4.639 790 HD3 PRO 101 2HD PRO 101 1.718 -21.905 -3.210 791 H SER 102 H SER 102 3.462 -24.887 -4.887 792 HA SER 102 HA SER 102 5.873 -26.576 -5.018 793 HB2 SER 102 1HB SER 102 3.011 -27.254 -5.735 794 HB3 SER 102 2HB SER 102 4.390 -28.320 -6.004 795 HG SER 102 HG SER 102 3.035 -27.743 -3.685 796 H GLY 103 H GLY 103 5.947 -24.172 -6.330 797 HA2 GLY 103 1HA GLY 103 6.308 -23.217 -8.388 798 HA3 GLY 103 2HA GLY 103 6.706 -24.849 -8.906 799 HA PRO 104 HA PRO 104 2.769 -23.191 -10.968 800 HB2 PRO 104 1HB PRO 104 3.780 -22.864 -13.467 801 HB3 PRO 104 2HB PRO 104 3.788 -21.580 -12.252 802 HG2 PRO 104 1HG PRO 104 5.993 -23.435 -13.063 803 HG3 PRO 104 2HG PRO 104 6.059 -21.693 -12.738 804 HD2 PRO 104 1HD PRO 104 6.852 -23.543 -10.927 805 HD3 PRO 104 2HD PRO 104 6.127 -21.993 -10.454 806 H SER 105 H SER 105 1.460 -24.413 -12.349 807 HA SER 105 HA SER 105 2.608 -26.927 -13.355 808 HB2 SER 105 1HB SER 105 0.554 -28.112 -12.615 809 HB3 SER 105 2HB SER 105 1.477 -27.455 -11.263 810 HG SER 105 HG SER 105 -0.103 -26.116 -10.827 811 H SER 106 H SER 106 2.112 -27.347 -15.406 812 HA SER 106 HA SER 106 -0.394 -26.493 -16.564 813 HB2 SER 106 1HB SER 106 0.597 -25.165 -18.357 814 HB3 SER 106 2HB SER 106 1.019 -24.471 -16.792 815 HG SER 106 HG SER 106 3.063 -25.291 -16.984 816 H GLY 107 H GLY 107 -0.559 -27.206 -18.885 817 HA2 GLY 107 1HA GLY 107 0.040 -29.926 -19.114 818 HA3 GLY 107 2HA GLY 107 -0.457 -28.888 -20.442 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.040 7.349 -16.445 2 HA2 GLY 1 1HA GLY 1 0.337 10.185 -16.585 3 HA3 GLY 1 2HA GLY 1 1.094 9.239 -17.858 4 H SER 2 H SER 2 -0.518 10.322 -19.219 5 HA SER 2 HA SER 2 -3.284 9.560 -18.888 6 HB2 SER 2 1HB SER 2 -3.658 10.844 -20.951 7 HB3 SER 2 2HB SER 2 -2.706 11.773 -19.794 8 HG SER 2 HG SER 2 -1.058 11.731 -21.113 9 H SER 3 H SER 3 -4.457 8.162 -20.174 10 HA SER 3 HA SER 3 -3.008 6.600 -22.183 11 HB2 SER 3 1HB SER 3 -3.023 5.477 -19.854 12 HB3 SER 3 2HB SER 3 -4.738 5.200 -20.155 13 HG SER 3 HG SER 3 -2.536 4.269 -21.677 14 H GLY 4 H GLY 4 -4.568 5.106 -23.376 15 HA2 GLY 4 1HA GLY 4 -7.044 6.623 -23.875 16 HA3 GLY 4 2HA GLY 4 -6.222 5.613 -25.054 17 H SER 5 H SER 5 -7.755 5.344 -21.848 18 HA SER 5 HA SER 5 -9.028 2.860 -22.787 19 HB2 SER 5 1HB SER 5 -7.614 3.394 -20.186 20 HB3 SER 5 2HB SER 5 -8.872 2.163 -20.293 21 HG SER 5 HG SER 5 -6.877 2.131 -22.238 22 H SER 6 H SER 6 -11.092 2.400 -21.922 23 HA SER 6 HA SER 6 -12.680 4.727 -21.438 24 HB2 SER 6 1HB SER 6 -13.597 2.886 -22.734 25 HB3 SER 6 2HB SER 6 -13.392 1.785 -21.372 26 HG SER 6 HG SER 6 -15.088 4.062 -21.450 27 H GLY 7 H GLY 7 -12.813 5.710 -19.537 28 HA2 GLY 7 1HA GLY 7 -13.877 5.101 -17.251 29 HA3 GLY 7 2HA GLY 7 -12.420 4.132 -17.088 30 H ALA 8 H ALA 8 -13.134 6.172 -15.299 31 HA ALA 8 HA ALA 8 -11.670 8.564 -15.925 32 HB1 ALA 8 1HB ALA 8 -12.509 7.796 -13.156 33 HB2 ALA 8 2HB ALA 8 -12.409 9.397 -13.889 34 HB3 ALA 8 3HB ALA 8 -13.703 8.294 -14.355 35 H GLU 9 H GLU 9 -9.533 8.712 -15.879 36 HA GLU 9 HA GLU 9 -8.044 7.010 -13.990 37 HB2 GLU 9 1HB GLU 9 -7.157 8.087 -16.672 38 HB3 GLU 9 2HB GLU 9 -6.146 7.162 -15.571 39 HG2 GLU 9 1HG GLU 9 -7.683 5.260 -15.782 40 HG3 GLU 9 2HG GLU 9 -8.650 6.188 -16.927 41 H SER 10 H SER 10 -8.859 9.133 -12.760 42 HA SER 10 HA SER 10 -6.983 11.335 -13.100 43 HB2 SER 10 1HB SER 10 -9.304 10.992 -11.186 44 HB3 SER 10 2HB SER 10 -8.338 12.457 -11.360 45 HG SER 10 HG SER 10 -9.474 11.389 -13.668 46 H LEU 11 H LEU 11 -5.613 9.113 -12.403 47 HA LEU 11 HA LEU 11 -5.266 8.972 -9.541 48 HB2 LEU 11 1HB LEU 11 -4.987 7.084 -11.284 49 HB3 LEU 11 2HB LEU 11 -3.394 7.788 -11.557 50 HG LEU 11 HG LEU 11 -2.647 7.211 -9.412 51 HD11 LEU 11 1HD1 LEU 11 -4.331 6.142 -7.774 52 HD12 LEU 11 2HD1 LEU 11 -5.555 6.950 -8.754 53 HD13 LEU 11 3HD1 LEU 11 -4.306 7.898 -7.945 54 HD21 LEU 11 1HD2 LEU 11 -3.942 4.746 -9.322 55 HD22 LEU 11 2HD2 LEU 11 -2.429 5.125 -10.148 56 HD23 LEU 11 3HD2 LEU 11 -3.958 5.209 -11.024 57 H SER 12 H SER 12 -3.281 9.433 -8.445 58 HA SER 12 HA SER 12 -1.996 11.828 -9.486 59 HB2 SER 12 1HB SER 12 -2.838 11.732 -7.134 60 HB3 SER 12 2HB SER 12 -1.628 10.495 -6.792 61 HG SER 12 HG SER 12 -0.971 12.660 -6.243 62 H GLY 13 H GLY 13 -1.204 9.862 -11.071 63 HA2 GLY 13 1HA GLY 13 0.598 8.672 -11.861 64 HA3 GLY 13 2HA GLY 13 1.546 9.904 -11.041 65 H LEU 14 H LEU 14 -0.102 6.809 -10.539 66 HA LEU 14 HA LEU 14 2.105 5.905 -8.899 67 HB2 LEU 14 1HB LEU 14 -0.679 6.254 -7.824 68 HB3 LEU 14 2HB LEU 14 0.471 5.125 -7.111 69 HG LEU 14 HG LEU 14 0.952 8.092 -7.359 70 HD11 LEU 14 1HD1 LEU 14 0.374 6.783 -4.757 71 HD12 LEU 14 2HD1 LEU 14 -0.981 7.155 -5.822 72 HD13 LEU 14 3HD1 LEU 14 0.092 8.444 -5.279 73 HD21 LEU 14 1HD2 LEU 14 2.991 6.813 -7.220 74 HD22 LEU 14 2HD2 LEU 14 2.367 5.901 -5.846 75 HD23 LEU 14 3HD2 LEU 14 2.705 7.624 -5.680 76 H SER 15 H SER 15 2.569 4.115 -10.015 77 HA SER 15 HA SER 15 0.363 2.258 -10.625 78 HB2 SER 15 1HB SER 15 2.977 2.523 -12.128 79 HB3 SER 15 2HB SER 15 1.616 1.485 -12.555 80 HG SER 15 HG SER 15 0.584 3.152 -13.356 81 H LEU 16 H LEU 16 0.399 0.731 -9.101 82 HA LEU 16 HA LEU 16 2.675 -0.057 -7.640 83 HB2 LEU 16 1HB LEU 16 -0.085 -1.111 -7.999 84 HB3 LEU 16 2HB LEU 16 1.118 -2.151 -7.239 85 HG LEU 16 HG LEU 16 0.535 0.617 -6.221 86 HD11 LEU 16 1HD1 LEU 16 -0.828 -1.965 -5.474 87 HD12 LEU 16 2HD1 LEU 16 -1.576 -0.540 -6.195 88 HD13 LEU 16 3HD1 LEU 16 -0.936 -0.464 -4.554 89 HD21 LEU 16 1HD2 LEU 16 1.831 0.070 -4.447 90 HD22 LEU 16 2HD2 LEU 16 2.575 -1.007 -5.629 91 HD23 LEU 16 3HD2 LEU 16 1.376 -1.633 -4.496 92 H LYS 17 H LYS 17 4.401 -0.921 -8.607 93 HA LYS 17 HA LYS 17 4.009 -2.932 -10.706 94 HB2 LYS 17 1HB LYS 17 5.503 -1.308 -11.484 95 HB3 LYS 17 2HB LYS 17 6.307 -1.165 -9.927 96 HG2 LYS 17 1HG LYS 17 7.328 -3.349 -10.231 97 HG3 LYS 17 2HG LYS 17 6.489 -3.539 -11.772 98 HD2 LYS 17 1HD LYS 17 7.661 -1.508 -12.596 99 HD3 LYS 17 2HD LYS 17 8.571 -1.466 -11.084 100 HE2 LYS 17 1HE LYS 17 8.546 -3.807 -12.983 101 HE3 LYS 17 2HE LYS 17 9.774 -2.542 -12.991 102 HZ1 LYS 17 1HZ LYS 17 9.217 -4.534 -10.875 103 HZ2 LYS 17 2HZ LYS 17 10.130 -3.142 -10.575 104 HZ3 LYS 17 3HZ LYS 17 10.662 -4.273 -11.715 105 H LEU 18 H LEU 18 4.445 -5.024 -10.383 106 HA LEU 18 HA LEU 18 5.133 -5.927 -7.745 107 HB2 LEU 18 1HB LEU 18 3.502 -7.166 -8.975 108 HB3 LEU 18 2HB LEU 18 4.608 -7.376 -10.331 109 HG LEU 18 HG LEU 18 6.034 -8.796 -8.857 110 HD11 LEU 18 1HD1 LEU 18 5.311 -9.524 -6.753 111 HD12 LEU 18 2HD1 LEU 18 3.686 -8.882 -6.991 112 HD13 LEU 18 3HD1 LEU 18 5.040 -7.781 -6.740 113 HD21 LEU 18 1HD2 LEU 18 4.801 -10.725 -9.252 114 HD22 LEU 18 2HD2 LEU 18 4.151 -9.587 -10.433 115 HD23 LEU 18 3HD2 LEU 18 3.260 -9.922 -8.948 116 H VAL 19 H VAL 19 7.218 -5.485 -7.218 117 HA VAL 19 HA VAL 19 9.420 -5.703 -8.971 118 HB VAL 19 HB VAL 19 9.072 -5.336 -6.050 119 HG11 VAL 19 1HG1 VAL 19 10.688 -6.950 -5.745 120 HG12 VAL 19 2HG1 VAL 19 11.478 -6.603 -7.285 121 HG13 VAL 19 3HG1 VAL 19 11.671 -5.498 -5.924 122 HG21 VAL 19 1HG2 VAL 19 9.932 -3.840 -8.340 123 HG22 VAL 19 2HG2 VAL 19 9.553 -3.270 -6.715 124 HG23 VAL 19 3HG2 VAL 19 11.186 -3.812 -7.100 125 H LYS 20 H LYS 20 8.714 -7.744 -6.130 126 HA LYS 20 HA LYS 20 9.376 -10.129 -7.655 127 HB2 LYS 20 1HB LYS 20 11.556 -9.720 -6.926 128 HB3 LYS 20 2HB LYS 20 11.022 -9.074 -5.379 129 HG2 LYS 20 1HG LYS 20 10.343 -11.335 -4.692 130 HG3 LYS 20 2HG LYS 20 10.948 -11.963 -6.227 131 HD2 LYS 20 1HD LYS 20 13.191 -11.253 -5.679 132 HD3 LYS 20 2HD LYS 20 12.619 -10.478 -4.200 133 HE2 LYS 20 1HE LYS 20 13.569 -12.560 -3.568 134 HE3 LYS 20 2HE LYS 20 11.820 -12.738 -3.448 135 HZ1 LYS 20 1HZ LYS 20 13.333 -14.510 -4.662 136 HZ2 LYS 20 2HZ LYS 20 13.066 -13.483 -5.980 137 HZ3 LYS 20 3HZ LYS 20 11.753 -14.182 -5.173 138 H LYS 21 H LYS 21 7.678 -11.384 -7.277 139 HA LYS 21 HA LYS 21 6.212 -11.218 -4.787 140 HB2 LYS 21 1HB LYS 21 4.543 -12.482 -5.831 141 HB3 LYS 21 2HB LYS 21 5.210 -11.514 -7.139 142 HG2 LYS 21 1HG LYS 21 6.361 -13.344 -8.053 143 HG3 LYS 21 2HG LYS 21 6.148 -14.311 -6.592 144 HD2 LYS 21 1HD LYS 21 4.625 -15.132 -8.242 145 HD3 LYS 21 2HD LYS 21 3.685 -14.270 -7.021 146 HE2 LYS 21 1HE LYS 21 2.847 -13.637 -9.163 147 HE3 LYS 21 2HE LYS 21 3.742 -12.264 -8.512 148 HZ1 LYS 21 1HZ LYS 21 5.567 -13.764 -9.944 149 HZ2 LYS 21 2HZ LYS 21 4.911 -12.266 -10.377 150 HZ3 LYS 21 3HZ LYS 21 4.182 -13.695 -10.914 151 H GLU 22 H GLU 22 5.746 -13.062 -3.451 152 HA GLU 22 HA GLU 22 7.473 -15.384 -3.710 153 HB2 GLU 22 1HB GLU 22 7.804 -13.283 -1.632 154 HB3 GLU 22 2HB GLU 22 7.960 -14.957 -1.116 155 HG2 GLU 22 1HG GLU 22 9.561 -15.091 -3.204 156 HG3 GLU 22 2HG GLU 22 9.688 -13.356 -2.922 157 HA PRO 23 HA PRO 23 4.125 -17.539 -1.871 158 HB2 PRO 23 1HB PRO 23 5.379 -19.412 -0.359 159 HB3 PRO 23 2HB PRO 23 5.344 -19.469 -2.126 160 HG2 PRO 23 1HG PRO 23 7.511 -18.496 -0.304 161 HG3 PRO 23 2HG PRO 23 7.641 -19.493 -1.764 162 HD2 PRO 23 1HD PRO 23 8.161 -16.836 -1.764 163 HD3 PRO 23 2HD PRO 23 7.480 -17.676 -3.172 164 H ARG 24 H ARG 24 6.583 -16.286 0.296 165 HA ARG 24 HA ARG 24 4.510 -15.944 2.356 166 HB2 ARG 24 1HB ARG 24 7.394 -16.684 2.885 167 HB3 ARG 24 2HB ARG 24 6.150 -16.416 4.099 168 HG2 ARG 24 1HG ARG 24 5.012 -18.385 3.530 169 HG3 ARG 24 2HG ARG 24 5.883 -18.544 2.004 170 HD2 ARG 24 1HD ARG 24 6.905 -20.126 3.365 171 HD3 ARG 24 2HD ARG 24 7.987 -18.738 3.479 172 HE ARG 24 HE ARG 24 7.518 -18.632 5.707 173 HH11 ARG 24 2HH1 ARG 24 4.980 -20.413 4.123 174 HH12 ARG 24 1HH1 ARG 24 4.175 -20.833 5.599 175 HH21 ARG 24 2HH2 ARG 24 6.468 -19.178 7.656 176 HH22 ARG 24 1HH2 ARG 24 5.022 -20.129 7.608 177 H GLN 25 H GLN 25 5.860 -14.227 0.232 178 HA GLN 25 HA GLN 25 6.060 -11.867 1.840 179 HB2 GLN 25 1HB GLN 25 8.344 -12.938 2.043 180 HB3 GLN 25 2HB GLN 25 8.541 -12.660 0.318 181 HG2 GLN 25 1HG GLN 25 8.330 -10.270 0.650 182 HG3 GLN 25 2HG GLN 25 8.050 -10.517 2.373 183 HE21 GLN 25 1HE2 GLN 25 10.395 -10.629 -0.199 184 HE22 GLN 25 2HE2 GLN 25 11.797 -10.663 0.810 185 H LEU 26 H LEU 26 6.455 -9.915 0.492 186 HA LEU 26 HA LEU 26 6.168 -10.207 -2.368 187 HB2 LEU 26 1HB LEU 26 3.914 -9.456 -0.594 188 HB3 LEU 26 2HB LEU 26 4.099 -8.550 -2.095 189 HG LEU 26 HG LEU 26 3.708 -11.532 -1.847 190 HD11 LEU 26 1HD1 LEU 26 1.854 -9.522 -3.087 191 HD12 LEU 26 2HD1 LEU 26 1.744 -9.988 -1.390 192 HD13 LEU 26 3HD1 LEU 26 1.527 -11.200 -2.652 193 HD21 LEU 26 1HD2 LEU 26 4.488 -11.719 -3.913 194 HD22 LEU 26 2HD2 LEU 26 4.877 -9.998 -3.930 195 HD23 LEU 26 3HD2 LEU 26 3.293 -10.551 -4.477 196 H GLU 27 H GLU 27 7.314 -8.650 -3.297 197 HA GLU 27 HA GLU 27 7.778 -6.165 -1.782 198 HB2 GLU 27 1HB GLU 27 9.743 -7.755 -2.298 199 HB3 GLU 27 2HB GLU 27 9.584 -7.193 -3.956 200 HG2 GLU 27 1HG GLU 27 9.944 -4.891 -3.204 201 HG3 GLU 27 2HG GLU 27 10.132 -5.470 -1.550 202 H LEU 28 H LEU 28 7.256 -4.267 -2.691 203 HA LEU 28 HA LEU 28 6.631 -4.206 -5.562 204 HB2 LEU 28 1HB LEU 28 4.962 -2.746 -3.542 205 HB3 LEU 28 2HB LEU 28 4.602 -3.073 -5.235 206 HG LEU 28 HG LEU 28 4.745 -5.235 -3.144 207 HD11 LEU 28 1HD1 LEU 28 2.792 -3.196 -3.386 208 HD12 LEU 28 2HD1 LEU 28 2.777 -4.616 -2.341 209 HD13 LEU 28 3HD1 LEU 28 2.078 -4.704 -3.957 210 HD21 LEU 28 1HD2 LEU 28 4.864 -5.531 -5.781 211 HD22 LEU 28 2HD2 LEU 28 3.113 -5.397 -5.615 212 HD23 LEU 28 3HD2 LEU 28 3.988 -6.659 -4.746 213 H THR 29 H THR 29 6.498 -1.962 -6.418 214 HA THR 29 HA THR 29 7.849 0.089 -4.874 215 HB THR 29 HB THR 29 9.693 -1.263 -5.899 216 HG1 THR 29 1HG THR 29 9.249 1.461 -6.363 217 HG21 THR 29 1HG2 THR 29 8.258 -1.629 -8.040 218 HG22 THR 29 2HG2 THR 29 10.004 -1.432 -8.192 219 HG23 THR 29 3HG2 THR 29 8.929 -0.078 -8.540 220 H TRP 30 H TRP 30 7.028 2.023 -5.354 221 HA TRP 30 HA TRP 30 5.782 2.406 -7.993 222 HB2 TRP 30 1HB TRP 30 4.018 3.767 -6.865 223 HB3 TRP 30 2HB TRP 30 3.978 2.061 -6.428 224 HD1 TRP 30 HD TRP 30 4.981 5.483 -4.972 225 HE1 TRP 30 1HE TRP 30 4.965 5.304 -2.404 226 HE3 TRP 30 3HE TRP 30 4.123 0.464 -4.514 227 HZ2 TRP 30 2HZ TRP 30 4.634 3.300 -0.444 228 HZ3 TRP 30 3HZ TRP 30 3.971 -0.505 -2.258 229 HH2 TRP 30 HH TRP 30 4.222 0.885 -0.266 230 H ALA 31 H ALA 31 6.884 3.923 -9.032 231 HA ALA 31 HA ALA 31 7.749 6.305 -7.531 232 HB1 ALA 31 1HB ALA 31 9.812 6.392 -8.707 233 HB2 ALA 31 2HB ALA 31 9.643 4.751 -8.082 234 HB3 ALA 31 3HB ALA 31 9.326 5.083 -9.785 235 H GLY 32 H GLY 32 6.942 8.136 -8.316 236 HA2 GLY 32 1HA GLY 32 6.499 8.412 -11.192 237 HA3 GLY 32 2HA GLY 32 5.092 8.572 -10.151 238 H SER 33 H SER 33 8.033 10.042 -11.251 239 HA SER 33 HA SER 33 7.375 12.473 -9.722 240 HB2 SER 33 1HB SER 33 10.047 11.654 -10.887 241 HB3 SER 33 2HB SER 33 9.731 13.113 -9.947 242 HG SER 33 HG SER 33 9.069 10.620 -8.851 243 H ARG 34 H ARG 34 5.769 12.659 -11.578 244 HA ARG 34 HA ARG 34 6.474 13.137 -14.209 245 HB2 ARG 34 1HB ARG 34 4.213 13.917 -12.463 246 HB3 ARG 34 2HB ARG 34 4.424 14.868 -13.927 247 HG2 ARG 34 1HG ARG 34 4.239 11.866 -13.899 248 HG3 ARG 34 2HG ARG 34 2.858 12.939 -14.140 249 HD2 ARG 34 1HD ARG 34 5.305 13.198 -15.846 250 HD3 ARG 34 2HD ARG 34 4.092 11.968 -16.203 251 HE ARG 34 HE ARG 34 3.029 14.627 -15.878 252 HH11 ARG 34 2HH1 ARG 34 4.375 12.310 -18.100 253 HH12 ARG 34 1HH1 ARG 34 3.656 13.038 -19.498 254 HH21 ARG 34 2HH2 ARG 34 2.078 15.595 -17.711 255 HH22 ARG 34 1HH2 ARG 34 2.350 14.907 -19.276 256 HA PRO 35 HA PRO 35 6.992 17.833 -13.216 257 HB2 PRO 35 1HB PRO 35 7.004 18.568 -10.603 258 HB3 PRO 35 2HB PRO 35 5.527 18.482 -11.570 259 HG2 PRO 35 1HG PRO 35 6.634 16.497 -9.621 260 HG3 PRO 35 2HG PRO 35 4.960 17.042 -9.833 261 HD2 PRO 35 1HD PRO 35 5.865 14.694 -10.834 262 HD3 PRO 35 2HD PRO 35 4.602 15.650 -11.636 263 H ARG 36 H ARG 36 8.704 19.220 -11.920 264 HA ARG 36 HA ARG 36 11.104 17.544 -11.733 265 HB2 ARG 36 1HB ARG 36 12.377 19.431 -12.331 266 HB3 ARG 36 2HB ARG 36 10.944 19.518 -13.347 267 HG2 ARG 36 1HG ARG 36 10.044 21.022 -11.391 268 HG3 ARG 36 2HG ARG 36 11.765 21.244 -11.073 269 HD2 ARG 36 1HD ARG 36 12.144 22.225 -13.159 270 HD3 ARG 36 2HD ARG 36 10.637 21.600 -13.827 271 HE ARG 36 HE ARG 36 10.340 23.477 -11.645 272 HH11 ARG 36 2HH1 ARG 36 10.508 23.013 -15.091 273 HH12 ARG 36 1HH1 ARG 36 9.690 24.495 -15.462 274 HH21 ARG 36 2HH2 ARG 36 9.262 25.431 -12.120 275 HH22 ARG 36 1HH2 ARG 36 8.983 25.869 -13.771 276 H ASN 37 H ASN 37 9.389 17.500 -9.532 277 HA ASN 37 HA ASN 37 10.915 19.042 -7.537 278 HB2 ASN 37 1HB ASN 37 8.481 19.657 -7.779 279 HB3 ASN 37 2HB ASN 37 8.084 18.037 -7.215 280 HD21 ASN 37 1HD2 ASN 37 7.557 17.986 -5.166 281 HD22 ASN 37 2HD2 ASN 37 8.211 18.981 -3.915 282 HA PRO 38 HA PRO 38 12.260 15.080 -6.081 283 HB2 PRO 38 1HB PRO 38 13.422 15.952 -3.787 284 HB3 PRO 38 2HB PRO 38 14.160 16.165 -5.379 285 HG2 PRO 38 1HG PRO 38 12.595 18.120 -3.739 286 HG3 PRO 38 2HG PRO 38 14.084 18.378 -4.668 287 HD2 PRO 38 1HD PRO 38 11.645 19.103 -5.594 288 HD3 PRO 38 2HD PRO 38 12.953 18.565 -6.667 289 H GLY 39 H GLY 39 10.379 17.314 -4.106 290 HA2 GLY 39 1HA GLY 39 8.305 16.286 -3.178 291 HA3 GLY 39 2HA GLY 39 9.343 14.991 -2.600 292 H GLY 40 H GLY 40 9.781 15.094 -0.507 293 HA2 GLY 40 1HA GLY 40 11.005 17.048 0.904 294 HA3 GLY 40 2HA GLY 40 9.320 17.543 0.960 295 H ASN 41 H ASN 41 8.425 17.013 2.829 296 HA ASN 41 HA ASN 41 9.326 14.578 4.197 297 HB2 ASN 41 1HB ASN 41 8.516 15.535 6.229 298 HB3 ASN 41 2HB ASN 41 9.396 16.808 5.388 299 HD21 ASN 41 1HD2 ASN 41 7.273 16.944 7.411 300 HD22 ASN 41 2HD2 ASN 41 6.021 17.905 6.708 301 H LEU 42 H LEU 42 7.362 14.779 1.927 302 HA LEU 42 HA LEU 42 4.756 14.303 2.885 303 HB2 LEU 42 1HB LEU 42 6.199 13.821 0.328 304 HB3 LEU 42 2HB LEU 42 4.650 13.019 0.578 305 HG LEU 42 HG LEU 42 4.843 15.972 0.976 306 HD11 LEU 42 1HD1 LEU 42 4.696 14.565 -1.683 307 HD12 LEU 42 2HD1 LEU 42 5.924 15.709 -1.142 308 HD13 LEU 42 3HD1 LEU 42 4.273 16.258 -1.428 309 HD21 LEU 42 1HD2 LEU 42 2.743 13.955 0.307 310 HD22 LEU 42 2HD2 LEU 42 2.515 15.645 -0.143 311 HD23 LEU 42 3HD2 LEU 42 2.744 15.205 1.551 312 H SER 43 H SER 43 3.651 12.105 2.259 313 HA SER 43 HA SER 43 5.310 9.814 2.973 314 HB2 SER 43 1HB SER 43 3.464 9.122 4.633 315 HB3 SER 43 2HB SER 43 4.597 10.370 5.148 316 HG SER 43 HG SER 43 3.024 11.925 4.578 317 H TYR 44 H TYR 44 3.770 7.779 3.031 318 HA TYR 44 HA TYR 44 1.749 7.997 0.916 319 HB2 TYR 44 1HB TYR 44 3.800 5.785 0.945 320 HB3 TYR 44 2HB TYR 44 2.634 6.159 -0.318 321 HD1 TYR 44 2HD TYR 44 2.898 8.426 -1.517 322 HD2 TYR 44 1HD TYR 44 5.965 6.646 0.835 323 HE1 TYR 44 2HE TYR 44 4.574 9.820 -2.657 324 HE2 TYR 44 1HE TYR 44 7.648 8.036 -0.297 325 HH TYR 44 HH TYR 44 7.222 10.637 -1.732 326 H GLU 45 H GLU 45 -0.016 6.742 1.206 327 HA GLU 45 HA GLU 45 -0.100 5.141 3.658 328 HB2 GLU 45 1HB GLU 45 -1.786 6.924 3.379 329 HB3 GLU 45 2HB GLU 45 -2.365 6.134 1.919 330 HG2 GLU 45 1HG GLU 45 -3.817 5.641 3.784 331 HG3 GLU 45 2HG GLU 45 -3.007 4.176 3.230 332 H LEU 46 H LEU 46 -0.011 3.004 3.549 333 HA LEU 46 HA LEU 46 -0.646 1.698 0.989 334 HB2 LEU 46 1HB LEU 46 1.682 1.566 2.220 335 HB3 LEU 46 2HB LEU 46 0.863 0.315 3.153 336 HG LEU 46 HG LEU 46 2.187 -0.629 1.329 337 HD11 LEU 46 1HD1 LEU 46 -0.236 -1.415 2.094 338 HD12 LEU 46 2HD1 LEU 46 0.668 -2.235 0.822 339 HD13 LEU 46 3HD1 LEU 46 -0.589 -1.073 0.400 340 HD21 LEU 46 1HD2 LEU 46 1.955 1.335 -0.189 341 HD22 LEU 46 2HD2 LEU 46 0.308 0.809 -0.538 342 HD23 LEU 46 3HD2 LEU 46 1.674 -0.220 -0.972 343 H HIS 47 H HIS 47 -2.301 0.320 0.882 344 HA HIS 47 HA HIS 47 -3.398 -0.765 3.387 345 HB2 HIS 47 1HB HIS 47 -4.789 1.131 2.627 346 HB3 HIS 47 2HB HIS 47 -5.026 0.323 1.080 347 HD1 HIS 47 1HD HIS 47 -7.523 -0.027 1.274 348 HD2 HIS 47 2HD HIS 47 -5.412 -1.560 4.507 349 HE1 HIS 47 1HE HIS 47 -9.190 -1.378 2.586 350 HE2 HIS 47 2HE HIS 47 -7.910 -2.225 4.583 351 H VAL 48 H VAL 48 -3.003 -2.880 3.266 352 HA VAL 48 HA VAL 48 -3.347 -4.248 0.688 353 HB VAL 48 HB VAL 48 -1.959 -5.222 3.189 354 HG11 VAL 48 1HG1 VAL 48 -2.422 -6.453 0.495 355 HG12 VAL 48 2HG1 VAL 48 -1.048 -6.927 1.496 356 HG13 VAL 48 3HG1 VAL 48 -2.694 -7.146 2.093 357 HG21 VAL 48 1HG2 VAL 48 -0.059 -4.312 2.453 358 HG22 VAL 48 2HG2 VAL 48 -0.342 -4.861 0.801 359 HG23 VAL 48 3HG2 VAL 48 -1.063 -3.354 1.365 360 H LEU 49 H LEU 49 -4.858 -5.793 0.402 361 HA LEU 49 HA LEU 49 -6.486 -6.552 2.738 362 HB2 LEU 49 1HB LEU 49 -7.457 -6.221 -0.095 363 HB3 LEU 49 2HB LEU 49 -8.436 -6.611 1.317 364 HG LEU 49 HG LEU 49 -7.740 -4.333 2.227 365 HD11 LEU 49 1HD1 LEU 49 -6.138 -4.361 -0.073 366 HD12 LEU 49 2HD1 LEU 49 -6.376 -3.033 1.062 367 HD13 LEU 49 3HD1 LEU 49 -7.400 -3.164 -0.368 368 HD21 LEU 49 1HD2 LEU 49 -9.565 -4.815 -0.089 369 HD22 LEU 49 2HD2 LEU 49 -9.360 -3.181 0.544 370 HD23 LEU 49 3HD2 LEU 49 -9.955 -4.467 1.595 371 H ASN 50 H ASN 50 -6.583 -8.658 3.146 372 HA ASN 50 HA ASN 50 -5.551 -10.521 1.138 373 HB2 ASN 50 1HB ASN 50 -4.406 -11.047 3.047 374 HB3 ASN 50 2HB ASN 50 -5.707 -10.506 4.105 375 HD21 ASN 50 1HD2 ASN 50 -4.196 -13.150 2.638 376 HD22 ASN 50 2HD2 ASN 50 -5.309 -14.374 3.137 377 H GLN 51 H GLN 51 -6.614 -12.733 1.139 378 HA GLN 51 HA GLN 51 -9.039 -12.777 0.030 379 HB2 GLN 51 1HB GLN 51 -7.931 -14.803 1.973 380 HB3 GLN 51 2HB GLN 51 -9.364 -15.086 0.994 381 HG2 GLN 51 1HG GLN 51 -7.863 -14.542 -1.010 382 HG3 GLN 51 2HG GLN 51 -6.522 -14.769 0.112 383 HE21 GLN 51 1HE2 GLN 51 -7.705 -16.278 -2.283 384 HE22 GLN 51 2HE2 GLN 51 -7.756 -17.915 -1.736 385 H ASP 52 H ASP 52 -8.881 -13.792 3.433 386 HA ASP 52 HA ASP 52 -11.471 -12.455 3.851 387 HB2 ASP 52 1HB ASP 52 -10.298 -14.989 4.933 388 HB3 ASP 52 2HB ASP 52 -11.485 -14.111 5.894 389 H GLU 53 H GLU 53 -8.941 -11.104 4.036 390 HA GLU 53 HA GLU 53 -9.200 -10.105 6.752 391 HB2 GLU 53 1HB GLU 53 -6.662 -11.306 5.660 392 HB3 GLU 53 2HB GLU 53 -6.651 -10.139 6.975 393 HG2 GLU 53 1HG GLU 53 -8.142 -12.751 7.028 394 HG3 GLU 53 2HG GLU 53 -6.542 -12.492 7.722 395 H GLU 54 H GLU 54 -7.922 -8.087 7.071 396 HA GLU 54 HA GLU 54 -7.008 -6.715 4.701 397 HB2 GLU 54 1HB GLU 54 -9.284 -6.219 4.354 398 HB3 GLU 54 2HB GLU 54 -9.583 -5.982 6.070 399 HG2 GLU 54 1HG GLU 54 -7.821 -4.032 5.716 400 HG3 GLU 54 2HG GLU 54 -8.435 -4.130 4.067 401 H TRP 55 H TRP 55 -5.436 -5.326 5.213 402 HA TRP 55 HA TRP 55 -5.382 -4.089 7.855 403 HB2 TRP 55 1HB TRP 55 -3.176 -4.830 8.395 404 HB3 TRP 55 2HB TRP 55 -4.105 -6.263 7.965 405 HD1 TRP 55 HD TRP 55 -1.353 -3.968 6.556 406 HE1 TRP 55 1HE TRP 55 -0.044 -5.280 4.770 407 HE3 TRP 55 3HE TRP 55 -4.225 -8.194 6.384 408 HZ2 TRP 55 2HZ TRP 55 -0.207 -7.775 3.461 409 HZ3 TRP 55 3HZ TRP 55 -3.580 -9.996 4.838 410 HH2 TRP 55 HH TRP 55 -1.612 -9.789 3.407 411 H HIS 56 H HIS 56 -4.125 -2.203 7.973 412 HA HIS 56 HA HIS 56 -3.055 -1.232 5.408 413 HB2 HIS 56 1HB HIS 56 -4.046 0.902 5.704 414 HB3 HIS 56 2HB HIS 56 -5.325 -0.265 6.031 415 HD1 HIS 56 1HD HIS 56 -5.250 2.694 7.134 416 HD2 HIS 56 2HD HIS 56 -4.160 -0.719 9.237 417 HE1 HIS 56 1HE HIS 56 -5.499 3.293 9.563 418 HE2 HIS 56 2HE HIS 56 -4.752 1.241 10.818 419 H GLN 57 H GLN 57 -1.200 -0.019 5.496 420 HA GLN 57 HA GLN 57 -0.105 0.703 8.103 421 HB2 GLN 57 1HB GLN 57 2.078 -0.343 7.544 422 HB3 GLN 57 2HB GLN 57 0.786 -1.514 7.772 423 HG2 GLN 57 1HG GLN 57 0.556 -1.779 5.381 424 HG3 GLN 57 2HG GLN 57 1.772 -0.534 5.103 425 HE21 GLN 57 1HE2 GLN 57 3.917 -0.979 6.156 426 HE22 GLN 57 2HE2 GLN 57 4.504 -2.602 6.078 427 H MET 58 H MET 58 1.067 2.544 8.065 428 HA MET 58 HA MET 58 1.236 3.955 5.528 429 HB2 MET 58 1HB MET 58 0.468 4.868 7.890 430 HB3 MET 58 2HB MET 58 2.193 5.141 8.096 431 HG2 MET 58 1HG MET 58 2.142 6.416 5.933 432 HG3 MET 58 2HG MET 58 0.385 6.302 5.998 433 HE1 MET 58 1HE MET 58 3.054 8.300 9.104 434 HE2 MET 58 2HE MET 58 3.456 6.991 7.992 435 HE3 MET 58 3HE MET 58 3.436 8.660 7.419 436 H VAL 59 H VAL 59 3.066 4.364 4.433 437 HA VAL 59 HA VAL 59 5.628 3.670 5.712 438 HB VAL 59 HB VAL 59 6.432 2.869 3.506 439 HG11 VAL 59 1HG1 VAL 59 4.782 0.809 3.496 440 HG12 VAL 59 2HG1 VAL 59 5.911 1.075 4.825 441 HG13 VAL 59 3HG1 VAL 59 4.221 1.549 4.995 442 HG21 VAL 59 1HG2 VAL 59 5.245 3.539 1.732 443 HG22 VAL 59 2HG2 VAL 59 4.163 2.199 2.115 444 HG23 VAL 59 3HG2 VAL 59 3.795 3.823 2.696 445 H LEU 60 H LEU 60 7.311 5.040 5.372 446 HA LEU 60 HA LEU 60 6.686 7.615 4.207 447 HB2 LEU 60 1HB LEU 60 9.272 6.687 5.441 448 HB3 LEU 60 2HB LEU 60 8.778 8.350 5.134 449 HG LEU 60 HG LEU 60 7.205 6.620 7.006 450 HD11 LEU 60 1HD1 LEU 60 8.689 6.743 8.675 451 HD12 LEU 60 2HD1 LEU 60 9.182 8.381 8.246 452 HD13 LEU 60 3HD1 LEU 60 9.878 7.000 7.398 453 HD21 LEU 60 1HD2 LEU 60 6.596 8.743 7.980 454 HD22 LEU 60 2HD2 LEU 60 6.296 8.785 6.242 455 HD23 LEU 60 3HD2 LEU 60 7.716 9.591 6.912 456 H GLU 61 H GLU 61 8.367 4.740 3.324 457 HA GLU 61 HA GLU 61 9.855 6.052 1.193 458 HB2 GLU 61 1HB GLU 61 10.646 3.698 0.721 459 HB3 GLU 61 2HB GLU 61 11.081 4.345 2.297 460 HG2 GLU 61 1HG GLU 61 8.583 2.755 2.066 461 HG3 GLU 61 2HG GLU 61 10.129 1.910 2.014 462 HA PRO 62 HA PRO 62 6.977 5.287 -2.030 463 HB2 PRO 62 1HB PRO 62 8.638 4.803 -4.122 464 HB3 PRO 62 2HB PRO 62 8.418 6.411 -3.422 465 HG2 PRO 62 1HG PRO 62 10.615 4.431 -2.963 466 HG3 PRO 62 2HG PRO 62 10.721 6.185 -3.201 467 HD2 PRO 62 1HD PRO 62 10.864 5.035 -0.754 468 HD3 PRO 62 2HD PRO 62 10.155 6.642 -1.014 469 H ARG 63 H ARG 63 8.730 2.867 -0.650 470 HA ARG 63 HA ARG 63 7.401 0.826 -2.301 471 HB2 ARG 63 1HB ARG 63 9.332 -0.659 -1.982 472 HB3 ARG 63 2HB ARG 63 9.778 0.807 -2.844 473 HG2 ARG 63 1HG ARG 63 10.381 1.631 -0.408 474 HG3 ARG 63 2HG ARG 63 10.537 -0.104 -0.126 475 HD2 ARG 63 1HD ARG 63 11.996 -0.131 -2.223 476 HD3 ARG 63 2HD ARG 63 12.045 1.624 -2.065 477 HE ARG 63 HE ARG 63 13.482 1.392 -0.295 478 HH11 ARG 63 2HH1 ARG 63 11.996 -1.681 -0.980 479 HH12 ARG 63 1HH1 ARG 63 13.016 -2.563 0.108 480 HH21 ARG 63 2HH2 ARG 63 14.830 0.242 1.141 481 HH22 ARG 63 1HH2 ARG 63 14.626 -1.469 1.315 482 H VAL 64 H VAL 64 7.550 -1.383 -1.033 483 HA VAL 64 HA VAL 64 7.368 -1.121 1.836 484 HB VAL 64 HB VAL 64 5.122 -0.369 1.043 485 HG11 VAL 64 1HG1 VAL 64 3.992 -1.482 -0.511 486 HG12 VAL 64 2HG1 VAL 64 5.372 -2.570 -0.679 487 HG13 VAL 64 3HG1 VAL 64 4.066 -2.967 0.438 488 HG21 VAL 64 1HG2 VAL 64 5.204 -1.192 3.243 489 HG22 VAL 64 2HG2 VAL 64 3.847 -2.032 2.493 490 HG23 VAL 64 3HG2 VAL 64 5.389 -2.861 2.701 491 H LEU 65 H LEU 65 7.485 -3.087 2.908 492 HA LEU 65 HA LEU 65 7.856 -5.448 1.183 493 HB2 LEU 65 1HB LEU 65 9.869 -4.358 2.433 494 HB3 LEU 65 2HB LEU 65 9.192 -5.173 3.841 495 HG LEU 65 HG LEU 65 10.992 -6.477 2.856 496 HD11 LEU 65 1HD1 LEU 65 8.257 -7.682 2.465 497 HD12 LEU 65 2HD1 LEU 65 9.221 -7.698 3.941 498 HD13 LEU 65 3HD1 LEU 65 9.765 -8.595 2.523 499 HD21 LEU 65 1HD2 LEU 65 10.462 -5.549 0.503 500 HD22 LEU 65 2HD2 LEU 65 9.336 -6.902 0.398 501 HD23 LEU 65 3HD2 LEU 65 11.056 -7.203 0.654 502 H LEU 66 H LEU 66 6.082 -6.658 1.417 503 HA LEU 66 HA LEU 66 4.796 -6.871 4.029 504 HB2 LEU 66 1HB LEU 66 3.950 -8.020 1.374 505 HB3 LEU 66 2HB LEU 66 2.990 -7.980 2.851 506 HG LEU 66 HG LEU 66 3.902 -5.498 1.408 507 HD11 LEU 66 1HD1 LEU 66 1.616 -5.386 0.508 508 HD12 LEU 66 2HD1 LEU 66 1.298 -6.996 1.151 509 HD13 LEU 66 3HD1 LEU 66 2.513 -6.774 -0.108 510 HD21 LEU 66 1HD2 LEU 66 3.088 -5.659 3.923 511 HD22 LEU 66 2HD2 LEU 66 1.502 -5.657 3.151 512 HD23 LEU 66 3HD2 LEU 66 2.619 -4.319 2.876 513 H THR 67 H THR 67 4.787 -8.674 5.257 514 HA THR 67 HA THR 67 5.948 -11.134 4.153 515 HB THR 67 HB THR 67 7.162 -11.476 6.331 516 HG1 THR 67 1HG THR 67 7.044 -8.697 6.733 517 HG21 THR 67 1HG2 THR 67 8.557 -10.904 4.550 518 HG22 THR 67 2HG2 THR 67 8.945 -9.690 5.769 519 HG23 THR 67 3HG2 THR 67 7.885 -9.279 4.421 520 H LYS 68 H LYS 68 5.728 -12.941 5.920 521 HA LYS 68 HA LYS 68 4.340 -14.311 7.090 522 HB2 LYS 68 1HB LYS 68 3.645 -11.607 8.118 523 HB3 LYS 68 2HB LYS 68 2.543 -12.923 8.501 524 HG2 LYS 68 1HG LYS 68 4.413 -14.179 9.482 525 HG3 LYS 68 2HG LYS 68 5.484 -12.819 9.140 526 HD2 LYS 68 1HD LYS 68 2.984 -12.466 10.762 527 HD3 LYS 68 2HD LYS 68 4.486 -13.023 11.503 528 HE2 LYS 68 1HE LYS 68 5.596 -10.993 10.515 529 HE3 LYS 68 2HE LYS 68 3.989 -10.422 10.067 530 HZ1 LYS 68 1HZ LYS 68 3.384 -10.576 12.448 531 HZ2 LYS 68 2HZ LYS 68 4.598 -9.440 12.137 532 HZ3 LYS 68 3HZ LYS 68 4.996 -10.940 12.811 533 H LEU 69 H LEU 69 3.692 -13.994 4.458 534 HA LEU 69 HA LEU 69 0.761 -13.754 4.430 535 HB2 LEU 69 1HB LEU 69 2.619 -13.797 2.062 536 HB3 LEU 69 2HB LEU 69 0.904 -13.392 2.068 537 HG LEU 69 HG LEU 69 3.052 -11.752 3.409 538 HD11 LEU 69 1HD1 LEU 69 1.613 -10.852 0.969 539 HD12 LEU 69 2HD1 LEU 69 2.947 -11.990 0.785 540 HD13 LEU 69 3HD1 LEU 69 3.221 -10.429 1.558 541 HD21 LEU 69 1HD2 LEU 69 1.288 -10.042 3.504 542 HD22 LEU 69 2HD2 LEU 69 0.868 -11.485 4.428 543 HD23 LEU 69 3HD2 LEU 69 0.139 -11.207 2.845 544 H GLN 70 H GLN 70 -0.128 -15.208 2.492 545 HA GLN 70 HA GLN 70 0.796 -17.936 3.086 546 HB2 GLN 70 1HB GLN 70 -1.897 -16.970 2.109 547 HB3 GLN 70 2HB GLN 70 -1.469 -18.653 2.386 548 HG2 GLN 70 1HG GLN 70 -1.419 -16.532 4.517 549 HG3 GLN 70 2HG GLN 70 -2.787 -17.601 4.212 550 HE21 GLN 70 1HE2 GLN 70 -2.880 -19.127 5.683 551 HE22 GLN 70 2HE2 GLN 70 -1.539 -19.991 6.347 552 HA PRO 71 HA PRO 71 2.174 -18.362 -1.078 553 HB2 PRO 71 1HB PRO 71 2.214 -21.073 -1.210 554 HB3 PRO 71 2HB PRO 71 3.419 -20.137 -0.318 555 HG2 PRO 71 1HG PRO 71 0.997 -21.568 0.703 556 HG3 PRO 71 2HG PRO 71 2.633 -21.512 1.384 557 HD2 PRO 71 1HD PRO 71 0.606 -19.993 2.339 558 HD3 PRO 71 2HD PRO 71 2.295 -19.448 2.353 559 H ASP 72 H ASP 72 1.314 -18.617 -3.090 560 HA ASP 72 HA ASP 72 -0.275 -18.843 -4.703 561 HB2 ASP 72 1HB ASP 72 0.044 -21.211 -4.411 562 HB3 ASP 72 2HB ASP 72 -0.988 -21.224 -2.983 563 H THR 73 H THR 73 -0.887 -16.883 -2.969 564 HA THR 73 HA THR 73 -3.812 -17.062 -2.826 565 HB THR 73 HB THR 73 -2.068 -15.963 -0.612 566 HG1 THR 73 1HG THR 73 -3.510 -17.730 0.449 567 HG21 THR 73 1HG2 THR 73 -4.270 -14.765 -1.126 568 HG22 THR 73 2HG2 THR 73 -4.028 -15.332 0.527 569 HG23 THR 73 3HG2 THR 73 -5.062 -16.240 -0.575 570 H THR 74 H THR 74 -4.894 -15.199 -3.327 571 HA THR 74 HA THR 74 -3.377 -13.158 -4.680 572 HB THR 74 HB THR 74 -6.356 -13.322 -4.181 573 HG1 THR 74 1HG THR 74 -6.351 -14.698 -5.779 574 HG21 THR 74 1HG2 THR 74 -6.623 -11.629 -5.809 575 HG22 THR 74 2HG2 THR 74 -4.933 -11.729 -6.302 576 HG23 THR 74 3HG2 THR 74 -5.354 -11.050 -4.730 577 H TYR 75 H TYR 75 -2.858 -11.181 -3.959 578 HA TYR 75 HA TYR 75 -4.075 -10.245 -1.448 579 HB2 TYR 75 1HB TYR 75 -1.160 -10.370 -2.187 580 HB3 TYR 75 2HB TYR 75 -1.750 -9.227 -0.985 581 HD1 TYR 75 2HD TYR 75 -2.677 -10.035 1.145 582 HD2 TYR 75 1HD TYR 75 -1.018 -12.721 -1.707 583 HE1 TYR 75 2HE TYR 75 -2.548 -11.781 2.873 584 HE2 TYR 75 1HE TYR 75 -0.885 -14.475 0.013 585 HH TYR 75 HH TYR 75 -1.291 -13.835 3.324 586 H ILE 76 H ILE 76 -5.012 -8.336 -1.685 587 HA ILE 76 HA ILE 76 -4.483 -6.732 -4.039 588 HB ILE 76 HB ILE 76 -6.352 -5.959 -1.818 589 HG12 ILE 76 1HG1 ILE 76 -6.665 -8.382 -2.612 590 HG13 ILE 76 2HG1 ILE 76 -8.072 -7.326 -2.666 591 HG21 ILE 76 1HG2 ILE 76 -6.188 -4.233 -3.367 592 HG22 ILE 76 2HG2 ILE 76 -6.084 -5.340 -4.735 593 HG23 ILE 76 3HG2 ILE 76 -7.620 -5.115 -3.898 594 HD11 ILE 76 1HD1 ILE 76 -7.440 -8.892 -4.678 595 HD12 ILE 76 2HD1 ILE 76 -8.124 -7.287 -4.941 596 HD13 ILE 76 3HD1 ILE 76 -6.386 -7.541 -5.098 597 H VAL 77 H VAL 77 -3.500 -4.774 -4.104 598 HA VAL 77 HA VAL 77 -2.639 -3.552 -1.578 599 HB VAL 77 HB VAL 77 -0.798 -3.948 -3.939 600 HG11 VAL 77 1HG1 VAL 77 -0.699 -1.966 -2.109 601 HG12 VAL 77 2HG1 VAL 77 0.256 -3.205 -1.293 602 HG13 VAL 77 3HG1 VAL 77 0.721 -2.648 -2.900 603 HG21 VAL 77 1HG2 VAL 77 -0.032 -5.851 -3.048 604 HG22 VAL 77 2HG2 VAL 77 -0.054 -5.197 -1.410 605 HG23 VAL 77 3HG2 VAL 77 -1.528 -5.865 -2.113 606 H ARG 78 H ARG 78 -2.541 -1.340 -1.583 607 HA ARG 78 HA ARG 78 -2.781 0.130 -4.073 608 HB2 ARG 78 1HB ARG 78 -4.792 1.382 -3.213 609 HB3 ARG 78 2HB ARG 78 -5.096 -0.281 -3.698 610 HG2 ARG 78 1HG ARG 78 -5.094 -0.992 -1.387 611 HG3 ARG 78 2HG ARG 78 -4.684 0.642 -0.862 612 HD2 ARG 78 1HD ARG 78 -6.995 0.488 -0.533 613 HD3 ARG 78 2HD ARG 78 -6.826 1.367 -2.052 614 HE ARG 78 HE ARG 78 -7.087 -1.445 -2.458 615 HH11 ARG 78 2HH1 ARG 78 -8.866 1.476 -1.807 616 HH12 ARG 78 1HH1 ARG 78 -10.338 0.891 -2.508 617 HH21 ARG 78 2HH2 ARG 78 -9.020 -2.227 -3.384 618 HH22 ARG 78 1HH2 ARG 78 -10.425 -1.216 -3.404 619 H VAL 79 H VAL 79 -1.534 1.869 -3.941 620 HA VAL 79 HA VAL 79 -0.996 3.013 -1.276 621 HB VAL 79 HB VAL 79 0.947 1.849 -2.432 622 HG11 VAL 79 1HG1 VAL 79 1.778 2.557 -4.401 623 HG12 VAL 79 2HG1 VAL 79 0.153 3.204 -4.635 624 HG13 VAL 79 3HG1 VAL 79 1.446 4.253 -4.051 625 HG21 VAL 79 1HG2 VAL 79 0.818 4.178 -0.889 626 HG22 VAL 79 2HG2 VAL 79 2.201 3.101 -1.087 627 HG23 VAL 79 3HG2 VAL 79 2.018 4.504 -2.140 628 H ARG 80 H ARG 80 -0.704 5.284 -1.142 629 HA ARG 80 HA ARG 80 -1.281 6.921 -3.458 630 HB2 ARG 80 1HB ARG 80 -3.256 7.961 -2.594 631 HB3 ARG 80 2HB ARG 80 -3.519 6.223 -2.574 632 HG2 ARG 80 1HG ARG 80 -3.507 6.104 -0.294 633 HG3 ARG 80 2HG ARG 80 -2.468 7.520 -0.116 634 HD2 ARG 80 1HD ARG 80 -4.384 8.922 -0.895 635 HD3 ARG 80 2HD ARG 80 -5.393 7.477 -0.841 636 HE ARG 80 HE ARG 80 -4.021 8.056 1.625 637 HH11 ARG 80 2HH1 ARG 80 -6.881 8.610 -0.281 638 HH12 ARG 80 1HH1 ARG 80 -7.867 9.025 1.081 639 HH21 ARG 80 2HH2 ARG 80 -5.309 8.600 3.427 640 HH22 ARG 80 1HH2 ARG 80 -6.972 9.019 3.190 641 H THR 81 H THR 81 -0.647 9.056 -3.213 642 HA THR 81 HA THR 81 1.264 9.540 -1.127 643 HB THR 81 HB THR 81 0.264 11.517 -3.182 644 HG1 THR 81 1HG THR 81 2.570 9.879 -3.430 645 HG21 THR 81 1HG2 THR 81 2.750 12.250 -2.849 646 HG22 THR 81 2HG2 THR 81 2.598 11.394 -1.315 647 HG23 THR 81 3HG2 THR 81 1.526 12.745 -1.682 648 H LEU 82 H LEU 82 0.625 10.090 0.852 649 HA LEU 82 HA LEU 82 -1.884 11.349 1.385 650 HB2 LEU 82 1HB LEU 82 0.427 10.398 2.981 651 HB3 LEU 82 2HB LEU 82 -0.626 11.603 3.719 652 HG LEU 82 HG LEU 82 -1.603 8.967 2.631 653 HD11 LEU 82 1HD1 LEU 82 -0.319 9.651 5.180 654 HD12 LEU 82 2HD1 LEU 82 -0.511 8.089 4.384 655 HD13 LEU 82 3HD1 LEU 82 -1.841 8.771 5.320 656 HD21 LEU 82 1HD2 LEU 82 -3.639 9.462 3.699 657 HD22 LEU 82 2HD2 LEU 82 -3.181 10.946 2.863 658 HD23 LEU 82 3HD2 LEU 82 -2.934 10.802 4.604 659 H THR 83 H THR 83 -2.346 13.440 1.847 660 HA THR 83 HA THR 83 -0.125 15.365 1.926 661 HB THR 83 HB THR 83 -1.011 16.771 0.320 662 HG1 THR 83 1HG THR 83 -3.146 16.934 -0.131 663 HG21 THR 83 1HG2 THR 83 -0.806 15.486 -1.504 664 HG22 THR 83 2HG2 THR 83 -2.247 14.551 -1.104 665 HG23 THR 83 3HG2 THR 83 -0.691 14.121 -0.393 666 HA PRO 84 HA PRO 84 -2.210 17.138 5.362 667 HB2 PRO 84 1HB PRO 84 -1.434 19.730 5.144 668 HB3 PRO 84 2HB PRO 84 -0.342 18.440 5.662 669 HG2 PRO 84 1HG PRO 84 -0.631 19.707 2.965 670 HG3 PRO 84 2HG PRO 84 0.846 19.271 3.844 671 HD2 PRO 84 1HD PRO 84 -0.174 17.740 1.857 672 HD3 PRO 84 2HD PRO 84 0.699 17.051 3.241 673 H LEU 85 H LEU 85 -2.574 18.793 2.255 674 HA LEU 85 HA LEU 85 -5.316 19.518 3.049 675 HB2 LEU 85 1HB LEU 85 -4.859 21.380 1.219 676 HB3 LEU 85 2HB LEU 85 -4.477 21.615 2.923 677 HG LEU 85 HG LEU 85 -2.127 21.035 2.450 678 HD11 LEU 85 1HD1 LEU 85 -3.030 20.989 -0.426 679 HD12 LEU 85 2HD1 LEU 85 -2.484 19.600 0.515 680 HD13 LEU 85 3HD1 LEU 85 -1.360 20.905 0.136 681 HD21 LEU 85 1HD2 LEU 85 -3.433 23.396 1.962 682 HD22 LEU 85 2HD2 LEU 85 -2.527 23.140 0.470 683 HD23 LEU 85 3HD2 LEU 85 -1.683 23.182 2.019 684 H GLY 86 H GLY 86 -6.280 17.754 2.072 685 HA2 GLY 86 1HA GLY 86 -7.456 16.865 0.276 686 HA3 GLY 86 2HA GLY 86 -6.600 17.966 -0.793 687 HA PRO 87 HA PRO 87 -3.876 13.993 -0.087 688 HB2 PRO 87 1HB PRO 87 -5.294 11.791 0.629 689 HB3 PRO 87 2HB PRO 87 -4.551 12.879 1.807 690 HG2 PRO 87 1HG PRO 87 -7.393 12.750 0.877 691 HG3 PRO 87 2HG PRO 87 -6.762 12.958 2.521 692 HD2 PRO 87 1HD PRO 87 -7.678 15.031 1.039 693 HD3 PRO 87 2HD PRO 87 -6.362 15.208 2.218 694 H GLY 88 H GLY 88 -3.430 12.528 -1.724 695 HA2 GLY 88 1HA GLY 88 -5.031 12.704 -4.063 696 HA3 GLY 88 2HA GLY 88 -3.620 11.679 -3.852 697 HA PRO 89 HA PRO 89 -7.713 9.246 -3.883 698 HB2 PRO 89 1HB PRO 89 -7.533 8.203 -6.383 699 HB3 PRO 89 2HB PRO 89 -8.350 9.732 -6.037 700 HG2 PRO 89 1HG PRO 89 -5.592 9.258 -7.099 701 HG3 PRO 89 2HG PRO 89 -6.800 10.450 -7.614 702 HD2 PRO 89 1HD PRO 89 -4.722 11.085 -5.998 703 HD3 PRO 89 2HD PRO 89 -6.301 11.888 -5.883 704 H PHE 90 H PHE 90 -7.858 6.951 -3.809 705 HA PHE 90 HA PHE 90 -5.317 5.677 -3.243 706 HB2 PHE 90 1HB PHE 90 -8.176 5.089 -2.686 707 HB3 PHE 90 2HB PHE 90 -7.085 3.711 -2.795 708 HD1 PHE 90 2HD PHE 90 -4.978 3.767 -1.339 709 HD2 PHE 90 1HD PHE 90 -8.334 6.311 -0.723 710 HE1 PHE 90 2HE PHE 90 -4.250 4.159 0.978 711 HE2 PHE 90 1HE PHE 90 -7.611 6.708 1.596 712 HZ PHE 90 HZ PHE 90 -5.568 5.631 2.449 713 H SER 91 H SER 91 -4.212 4.589 -4.715 714 HA SER 91 HA SER 91 -4.727 4.200 -7.318 715 HB2 SER 91 1HB SER 91 -3.038 2.573 -7.378 716 HB3 SER 91 2HB SER 91 -2.658 3.498 -5.925 717 HG SER 91 HG SER 91 -4.287 1.637 -5.129 718 HA PRO 92 HA PRO 92 -8.044 1.386 -7.906 719 HB2 PRO 92 1HB PRO 92 -7.289 0.164 -10.210 720 HB3 PRO 92 2HB PRO 92 -7.864 1.835 -10.152 721 HG2 PRO 92 1HG PRO 92 -5.057 0.801 -10.268 722 HG3 PRO 92 2HG PRO 92 -5.788 2.155 -11.149 723 HD2 PRO 92 1HD PRO 92 -4.244 2.510 -8.953 724 HD3 PRO 92 2HD PRO 92 -5.593 3.591 -9.357 725 H ASP 93 H ASP 93 -8.588 -0.571 -7.149 726 HA ASP 93 HA ASP 93 -7.041 -2.257 -5.751 727 HB2 ASP 93 1HB ASP 93 -8.652 -4.128 -6.553 728 HB3 ASP 93 2HB ASP 93 -9.321 -2.747 -5.688 729 H HIS 94 H HIS 94 -5.017 -2.764 -6.422 730 HA HIS 94 HA HIS 94 -4.601 -3.885 -9.076 731 HB2 HIS 94 1HB HIS 94 -2.798 -2.916 -6.887 732 HB3 HIS 94 2HB HIS 94 -2.157 -3.977 -8.138 733 HD1 HIS 94 1HD HIS 94 -3.328 -0.502 -7.535 734 HD2 HIS 94 2HD HIS 94 -2.019 -2.829 -10.718 735 HE1 HIS 94 1HE HIS 94 -2.861 1.116 -9.403 736 HE2 HIS 94 2HE HIS 94 -2.152 -0.323 -11.345 737 H GLU 95 H GLU 95 -5.202 -5.960 -9.242 738 HA GLU 95 HA GLU 95 -5.132 -7.822 -7.108 739 HB2 GLU 95 1HB GLU 95 -5.685 -7.933 -10.027 740 HB3 GLU 95 2HB GLU 95 -5.271 -9.445 -9.231 741 HG2 GLU 95 1HG GLU 95 -7.516 -9.510 -8.967 742 HG3 GLU 95 2HG GLU 95 -7.098 -8.613 -7.508 743 H PHE 96 H PHE 96 -3.639 -9.306 -6.512 744 HA PHE 96 HA PHE 96 -1.279 -9.725 -8.177 745 HB2 PHE 96 1HB PHE 96 -1.188 -8.697 -5.337 746 HB3 PHE 96 2HB PHE 96 0.202 -9.387 -6.169 747 HD1 PHE 96 1HD PHE 96 0.605 -8.303 -8.587 748 HD2 PHE 96 2HD PHE 96 -1.362 -6.418 -5.316 749 HE1 PHE 96 1HE PHE 96 1.122 -6.099 -9.551 750 HE2 PHE 96 2HE PHE 96 -0.848 -4.211 -6.275 751 HZ PHE 96 HZ PHE 96 0.395 -4.049 -8.395 752 H ARG 97 H ARG 97 -0.090 -11.621 -7.650 753 HA ARG 97 HA ARG 97 -1.425 -13.450 -5.774 754 HB2 ARG 97 1HB ARG 97 -2.133 -13.966 -8.088 755 HB3 ARG 97 2HB ARG 97 -0.448 -14.185 -8.539 756 HG2 ARG 97 1HG ARG 97 -0.265 -16.060 -6.995 757 HG3 ARG 97 2HG ARG 97 -1.947 -15.831 -6.511 758 HD2 ARG 97 1HD ARG 97 -1.618 -17.646 -8.178 759 HD3 ARG 97 2HD ARG 97 -2.719 -16.377 -8.713 760 HE ARG 97 HE ARG 97 -0.093 -16.985 -9.792 761 HH11 ARG 97 2HH1 ARG 97 -2.783 -14.779 -9.661 762 HH12 ARG 97 1HH1 ARG 97 -2.379 -13.994 -11.152 763 HH21 ARG 97 2HH2 ARG 97 0.449 -15.959 -11.756 764 HH22 ARG 97 1HH2 ARG 97 -0.542 -14.666 -12.343 765 H THR 98 H THR 98 -0.103 -14.822 -4.643 766 HA THR 98 HA THR 98 2.704 -14.123 -4.597 767 HB THR 98 HB THR 98 2.793 -15.759 -2.678 768 HG1 THR 98 1HG THR 98 0.853 -16.593 -1.931 769 HG21 THR 98 1HG2 THR 98 0.610 -13.981 -1.882 770 HG22 THR 98 2HG2 THR 98 1.906 -13.166 -2.758 771 HG23 THR 98 3HG2 THR 98 2.268 -14.074 -1.290 772 H SER 99 H SER 99 4.372 -15.841 -4.475 773 HA SER 99 HA SER 99 4.278 -17.479 -6.781 774 HB2 SER 99 1HB SER 99 6.216 -17.009 -4.572 775 HB3 SER 99 2HB SER 99 6.404 -18.490 -5.510 776 HG SER 99 HG SER 99 7.420 -16.321 -6.207 777 HA PRO 100 HA PRO 100 2.439 -21.183 -5.299 778 HB2 PRO 100 1HB PRO 100 3.657 -22.999 -6.907 779 HB3 PRO 100 2HB PRO 100 2.415 -21.884 -7.487 780 HG2 PRO 100 1HG PRO 100 5.393 -21.688 -7.719 781 HG3 PRO 100 2HG PRO 100 4.151 -21.346 -8.937 782 HD2 PRO 100 1HD PRO 100 5.380 -19.393 -7.521 783 HD3 PRO 100 2HD PRO 100 3.697 -19.259 -8.071 784 HA PRO 101 HA PRO 101 5.153 -22.898 -2.269 785 HB2 PRO 101 1HB PRO 101 3.733 -25.127 -1.648 786 HB3 PRO 101 2HB PRO 101 3.252 -23.506 -1.131 787 HG2 PRO 101 1HG PRO 101 2.242 -25.138 -3.428 788 HG3 PRO 101 2HG PRO 101 1.330 -24.156 -2.267 789 HD2 PRO 101 1HD PRO 101 1.924 -23.287 -4.762 790 HD3 PRO 101 2HD PRO 101 1.800 -22.188 -3.373 791 H SER 102 H SER 102 6.095 -25.148 -1.701 792 HA SER 102 HA SER 102 7.690 -26.011 -3.825 793 HB2 SER 102 1HB SER 102 7.039 -27.272 -1.161 794 HB3 SER 102 2HB SER 102 8.189 -27.989 -2.290 795 HG SER 102 HG SER 102 8.490 -25.857 -0.622 796 H GLY 103 H GLY 103 7.086 -27.077 -5.584 797 HA2 GLY 103 1HA GLY 103 4.850 -28.989 -5.371 798 HA3 GLY 103 2HA GLY 103 5.315 -28.148 -6.843 799 HA PRO 104 HA PRO 104 8.342 -31.863 -5.914 800 HB2 PRO 104 1HB PRO 104 7.052 -33.968 -4.785 801 HB3 PRO 104 2HB PRO 104 7.888 -32.733 -3.837 802 HG2 PRO 104 1HG PRO 104 4.969 -33.002 -4.443 803 HG3 PRO 104 2HG PRO 104 5.760 -32.582 -2.913 804 HD2 PRO 104 1HD PRO 104 4.654 -30.722 -4.540 805 HD3 PRO 104 2HD PRO 104 6.078 -30.386 -3.535 806 H SER 105 H SER 105 4.904 -32.386 -6.590 807 HA SER 105 HA SER 105 3.819 -33.585 -8.200 808 HB2 SER 105 1HB SER 105 6.204 -32.459 -9.644 809 HB3 SER 105 2HB SER 105 5.038 -33.474 -10.493 810 HG SER 105 HG SER 105 4.833 -30.927 -10.082 811 H SER 106 H SER 106 5.646 -35.061 -6.465 812 HA SER 106 HA SER 106 6.908 -37.067 -8.106 813 HB2 SER 106 1HB SER 106 7.566 -38.102 -6.020 814 HB3 SER 106 2HB SER 106 7.813 -36.362 -5.883 815 HG SER 106 HG SER 106 5.959 -36.213 -4.657 816 H GLY 107 H GLY 107 5.468 -38.234 -9.275 817 HA2 GLY 107 1HA GLY 107 3.766 -39.703 -9.748 818 HA3 GLY 107 2HA GLY 107 4.111 -40.371 -8.160 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.374 17.806 -16.609 2 HA2 GLY 1 1HA GLY 1 -3.890 18.451 -18.802 3 HA3 GLY 1 2HA GLY 1 -3.418 17.195 -17.668 4 H SER 2 H SER 2 -3.953 15.012 -18.131 5 HA SER 2 HA SER 2 -3.804 14.393 -20.917 6 HB2 SER 2 1HB SER 2 -4.220 12.540 -18.558 7 HB3 SER 2 2HB SER 2 -3.746 12.055 -20.186 8 HG SER 2 HG SER 2 -2.002 12.311 -18.601 9 H SER 3 H SER 3 -6.239 13.753 -18.398 10 HA SER 3 HA SER 3 -8.422 13.082 -18.549 11 HB2 SER 3 1HB SER 3 -9.814 14.623 -19.679 12 HB3 SER 3 2HB SER 3 -8.378 15.552 -19.247 13 HG SER 3 HG SER 3 -7.991 15.840 -21.288 14 H GLY 4 H GLY 4 -6.751 11.291 -19.855 15 HA2 GLY 4 1HA GLY 4 -7.522 10.710 -22.511 16 HA3 GLY 4 2HA GLY 4 -6.765 9.585 -21.392 17 H SER 5 H SER 5 -8.707 8.810 -23.244 18 HA SER 5 HA SER 5 -11.229 8.587 -21.826 19 HB2 SER 5 1HB SER 5 -10.349 7.457 -24.495 20 HB3 SER 5 2HB SER 5 -11.987 7.371 -23.845 21 HG SER 5 HG SER 5 -11.602 9.828 -23.693 22 H SER 6 H SER 6 -9.015 6.223 -23.327 23 HA SER 6 HA SER 6 -10.014 4.167 -21.517 24 HB2 SER 6 1HB SER 6 -9.846 3.490 -23.818 25 HB3 SER 6 2HB SER 6 -8.176 4.048 -23.916 26 HG SER 6 HG SER 6 -7.547 2.224 -23.092 27 H GLY 7 H GLY 7 -8.692 2.962 -20.129 28 HA2 GLY 7 1HA GLY 7 -6.325 2.527 -19.434 29 HA3 GLY 7 2HA GLY 7 -6.124 4.273 -19.476 30 H ALA 8 H ALA 8 -6.005 2.092 -17.319 31 HA ALA 8 HA ALA 8 -7.747 3.480 -15.387 32 HB1 ALA 8 1HB ALA 8 -6.951 0.802 -14.584 33 HB2 ALA 8 2HB ALA 8 -8.551 1.545 -14.622 34 HB3 ALA 8 3HB ALA 8 -7.882 0.815 -16.082 35 H GLU 9 H GLU 9 -6.635 4.621 -13.955 36 HA GLU 9 HA GLU 9 -4.436 3.551 -12.506 37 HB2 GLU 9 1HB GLU 9 -3.409 4.224 -14.744 38 HB3 GLU 9 2HB GLU 9 -3.729 5.887 -14.274 39 HG2 GLU 9 1HG GLU 9 -1.413 5.111 -13.823 40 HG3 GLU 9 2HG GLU 9 -2.265 5.727 -12.408 41 H SER 10 H SER 10 -3.537 5.152 -10.952 42 HA SER 10 HA SER 10 -5.688 6.759 -9.894 43 HB2 SER 10 1HB SER 10 -4.168 7.122 -7.982 44 HB3 SER 10 2HB SER 10 -4.318 5.410 -8.376 45 HG SER 10 HG SER 10 -2.136 6.082 -8.019 46 H LEU 11 H LEU 11 -2.241 7.589 -10.176 47 HA LEU 11 HA LEU 11 -2.963 10.074 -11.542 48 HB2 LEU 11 1HB LEU 11 -1.666 11.431 -10.042 49 HB3 LEU 11 2HB LEU 11 -2.898 10.559 -9.132 50 HG LEU 11 HG LEU 11 -0.163 9.393 -9.271 51 HD11 LEU 11 1HD1 LEU 11 -0.909 11.697 -7.475 52 HD12 LEU 11 2HD1 LEU 11 0.251 11.756 -8.802 53 HD13 LEU 11 3HD1 LEU 11 0.576 10.750 -7.390 54 HD21 LEU 11 1HD2 LEU 11 -1.446 9.495 -6.701 55 HD22 LEU 11 2HD2 LEU 11 -0.980 8.094 -7.666 56 HD23 LEU 11 3HD2 LEU 11 -2.552 8.855 -7.917 57 H SER 12 H SER 12 -0.636 11.323 -11.773 58 HA SER 12 HA SER 12 0.756 9.872 -13.716 59 HB2 SER 12 1HB SER 12 0.723 12.363 -13.524 60 HB3 SER 12 2HB SER 12 1.803 12.233 -12.136 61 HG SER 12 HG SER 12 2.829 10.808 -14.133 62 H GLY 13 H GLY 13 1.104 7.847 -12.534 63 HA2 GLY 13 1HA GLY 13 3.399 6.856 -12.078 64 HA3 GLY 13 2HA GLY 13 3.433 7.976 -10.725 65 H LEU 14 H LEU 14 3.050 7.014 -8.855 66 HA LEU 14 HA LEU 14 2.551 5.158 -7.512 67 HB2 LEU 14 1HB LEU 14 -0.055 6.449 -8.292 68 HB3 LEU 14 2HB LEU 14 0.108 5.297 -6.968 69 HG LEU 14 HG LEU 14 0.942 8.144 -7.132 70 HD11 LEU 14 1HD1 LEU 14 -0.455 8.333 -5.416 71 HD12 LEU 14 2HD1 LEU 14 0.335 7.022 -4.541 72 HD13 LEU 14 3HD1 LEU 14 -0.930 6.661 -5.715 73 HD21 LEU 14 1HD2 LEU 14 2.570 7.870 -5.355 74 HD22 LEU 14 2HD2 LEU 14 3.060 6.948 -6.777 75 HD23 LEU 14 3HD2 LEU 14 2.348 6.121 -5.391 76 H SER 15 H SER 15 3.132 3.981 -9.853 77 HA SER 15 HA SER 15 0.866 2.259 -10.550 78 HB2 SER 15 1HB SER 15 3.488 2.879 -11.887 79 HB3 SER 15 2HB SER 15 2.562 1.448 -12.340 80 HG SER 15 HG SER 15 1.019 2.683 -13.175 81 H LEU 16 H LEU 16 0.973 1.122 -8.509 82 HA LEU 16 HA LEU 16 2.932 -0.156 -7.240 83 HB2 LEU 16 1HB LEU 16 0.253 -1.252 -8.044 84 HB3 LEU 16 2HB LEU 16 1.348 -2.140 -6.986 85 HG LEU 16 HG LEU 16 0.342 0.627 -6.352 86 HD11 LEU 16 1HD1 LEU 16 -0.954 -1.118 -4.665 87 HD12 LEU 16 2HD1 LEU 16 -1.045 -1.926 -6.229 88 HD13 LEU 16 3HD1 LEU 16 -1.668 -0.286 -6.047 89 HD21 LEU 16 1HD2 LEU 16 2.438 -0.511 -5.278 90 HD22 LEU 16 2HD2 LEU 16 1.229 -1.424 -4.375 91 HD23 LEU 16 3HD2 LEU 16 1.267 0.337 -4.268 92 H LYS 17 H LYS 17 4.604 -1.373 -7.786 93 HA LYS 17 HA LYS 17 4.383 -3.081 -10.178 94 HB2 LYS 17 1HB LYS 17 5.980 -1.380 -10.644 95 HB3 LYS 17 2HB LYS 17 6.734 -1.556 -9.065 96 HG2 LYS 17 1HG LYS 17 8.255 -2.688 -10.295 97 HG3 LYS 17 2HG LYS 17 7.144 -4.021 -9.971 98 HD2 LYS 17 1HD LYS 17 7.330 -4.255 -12.229 99 HD3 LYS 17 2HD LYS 17 6.002 -3.093 -12.185 100 HE2 LYS 17 1HE LYS 17 7.467 -1.279 -12.643 101 HE3 LYS 17 2HE LYS 17 8.894 -2.281 -12.384 102 HZ1 LYS 17 1HZ LYS 17 7.823 -3.644 -14.332 103 HZ2 LYS 17 2HZ LYS 17 8.791 -2.292 -14.643 104 HZ3 LYS 17 3HZ LYS 17 7.105 -2.156 -14.698 105 H LEU 18 H LEU 18 4.929 -5.196 -10.020 106 HA LEU 18 HA LEU 18 5.434 -6.221 -7.335 107 HB2 LEU 18 1HB LEU 18 3.626 -7.270 -8.470 108 HB3 LEU 18 2HB LEU 18 4.602 -7.529 -9.914 109 HG LEU 18 HG LEU 18 6.016 -9.096 -8.501 110 HD11 LEU 18 1HD1 LEU 18 3.644 -8.818 -6.663 111 HD12 LEU 18 2HD1 LEU 18 5.310 -8.365 -6.308 112 HD13 LEU 18 3HD1 LEU 18 4.888 -10.061 -6.538 113 HD21 LEU 18 1HD2 LEU 18 4.851 -10.757 -9.431 114 HD22 LEU 18 2HD2 LEU 18 3.750 -9.505 -10.008 115 HD23 LEU 18 3HD2 LEU 18 3.397 -10.369 -8.510 116 H VAL 19 H VAL 19 7.639 -5.648 -7.153 117 HA VAL 19 HA VAL 19 9.655 -6.266 -8.982 118 HB VAL 19 HB VAL 19 11.053 -6.439 -6.722 119 HG11 VAL 19 1HG1 VAL 19 10.456 -3.717 -6.807 120 HG12 VAL 19 2HG1 VAL 19 11.738 -4.554 -7.685 121 HG13 VAL 19 3HG1 VAL 19 10.167 -4.302 -8.446 122 HG21 VAL 19 1HG2 VAL 19 10.018 -5.853 -4.822 123 HG22 VAL 19 2HG2 VAL 19 9.069 -4.596 -5.615 124 HG23 VAL 19 3HG2 VAL 19 8.532 -6.275 -5.674 125 H LYS 20 H LYS 20 9.112 -8.008 -5.918 126 HA LYS 20 HA LYS 20 10.015 -10.465 -7.269 127 HB2 LYS 20 1HB LYS 20 11.350 -9.454 -5.293 128 HB3 LYS 20 2HB LYS 20 10.042 -10.068 -4.290 129 HG2 LYS 20 1HG LYS 20 10.474 -12.326 -5.068 130 HG3 LYS 20 2HG LYS 20 11.748 -11.730 -6.134 131 HD2 LYS 20 1HD LYS 20 11.800 -11.278 -3.161 132 HD3 LYS 20 2HD LYS 20 12.475 -12.729 -3.905 133 HE2 LYS 20 1HE LYS 20 13.978 -11.363 -5.243 134 HE3 LYS 20 2HE LYS 20 13.273 -9.896 -4.567 135 HZ1 LYS 20 1HZ LYS 20 13.983 -11.196 -2.349 136 HZ2 LYS 20 2HZ LYS 20 14.976 -10.075 -3.137 137 HZ3 LYS 20 3HZ LYS 20 15.191 -11.732 -3.406 138 H LYS 21 H LYS 21 8.730 -12.222 -7.275 139 HA LYS 21 HA LYS 21 6.159 -12.009 -5.853 140 HB2 LYS 21 1HB LYS 21 5.747 -12.043 -8.194 141 HB3 LYS 21 2HB LYS 21 6.900 -13.346 -8.451 142 HG2 LYS 21 1HG LYS 21 5.443 -14.904 -7.308 143 HG3 LYS 21 2HG LYS 21 4.303 -13.605 -6.948 144 HD2 LYS 21 1HD LYS 21 3.459 -14.792 -8.835 145 HD3 LYS 21 2HD LYS 21 4.076 -13.245 -9.420 146 HE2 LYS 21 1HE LYS 21 4.789 -14.948 -10.938 147 HE3 LYS 21 2HE LYS 21 6.198 -14.405 -10.029 148 HZ1 LYS 21 1HZ LYS 21 5.062 -16.516 -8.617 149 HZ2 LYS 21 2HZ LYS 21 6.542 -16.494 -9.435 150 HZ3 LYS 21 3HZ LYS 21 5.141 -17.002 -10.236 151 H GLU 22 H GLU 22 6.847 -12.966 -3.929 152 HA GLU 22 HA GLU 22 7.799 -15.738 -4.104 153 HB2 GLU 22 1HB GLU 22 7.888 -13.691 -1.895 154 HB3 GLU 22 2HB GLU 22 8.223 -15.393 -1.606 155 HG2 GLU 22 1HG GLU 22 9.892 -15.011 -3.632 156 HG3 GLU 22 2HG GLU 22 9.826 -13.355 -3.033 157 HA PRO 23 HA PRO 23 3.978 -17.410 -2.735 158 HB2 PRO 23 1HB PRO 23 4.834 -19.544 -1.292 159 HB3 PRO 23 2HB PRO 23 4.912 -19.484 -3.057 160 HG2 PRO 23 1HG PRO 23 7.070 -18.969 -1.046 161 HG3 PRO 23 2HG PRO 23 7.150 -19.881 -2.565 162 HD2 PRO 23 1HD PRO 23 8.057 -17.340 -2.343 163 HD3 PRO 23 2HD PRO 23 7.357 -17.976 -3.845 164 H ARG 24 H ARG 24 6.341 -16.327 -0.474 165 HA ARG 24 HA ARG 24 4.262 -16.171 1.606 166 HB2 ARG 24 1HB ARG 24 7.194 -16.808 1.951 167 HB3 ARG 24 2HB ARG 24 6.124 -16.389 3.282 168 HG2 ARG 24 1HG ARG 24 4.804 -18.345 2.934 169 HG3 ARG 24 2HG ARG 24 5.654 -18.713 1.431 170 HD2 ARG 24 1HD ARG 24 6.672 -20.146 2.933 171 HD3 ARG 24 2HD ARG 24 7.766 -18.763 2.936 172 HE ARG 24 HE ARG 24 5.912 -18.344 4.960 173 HH11 ARG 24 2HH1 ARG 24 8.415 -20.630 4.167 174 HH12 ARG 24 1HH1 ARG 24 8.782 -21.000 5.820 175 HH21 ARG 24 2HH2 ARG 24 6.386 -18.822 7.140 176 HH22 ARG 24 1HH2 ARG 24 7.627 -19.971 7.510 177 H GLN 25 H GLN 25 6.833 -14.650 -0.131 178 HA GLN 25 HA GLN 25 6.457 -12.193 1.449 179 HB2 GLN 25 1HB GLN 25 8.765 -13.131 1.447 180 HB3 GLN 25 2HB GLN 25 8.813 -12.922 -0.298 181 HG2 GLN 25 1HG GLN 25 8.166 -10.561 1.379 182 HG3 GLN 25 2HG GLN 25 9.832 -11.137 1.346 183 HE21 GLN 25 1HE2 GLN 25 10.139 -8.961 0.409 184 HE22 GLN 25 2HE2 GLN 25 9.968 -8.782 -1.301 185 H LEU 26 H LEU 26 6.594 -10.157 0.232 186 HA LEU 26 HA LEU 26 6.271 -10.150 -2.603 187 HB2 LEU 26 1HB LEU 26 3.890 -10.131 -0.844 188 HB3 LEU 26 2HB LEU 26 3.900 -8.984 -2.182 189 HG LEU 26 HG LEU 26 3.960 -11.989 -2.309 190 HD11 LEU 26 1HD1 LEU 26 2.028 -11.431 -3.907 191 HD12 LEU 26 2HD1 LEU 26 2.058 -9.835 -3.158 192 HD13 LEU 26 3HD1 LEU 26 1.753 -11.265 -2.172 193 HD21 LEU 26 1HD2 LEU 26 4.925 -9.986 -4.257 194 HD22 LEU 26 2HD2 LEU 26 3.908 -11.281 -4.890 195 HD23 LEU 26 3HD2 LEU 26 5.397 -11.670 -4.028 196 H GLU 27 H GLU 27 7.415 -8.399 -3.075 197 HA GLU 27 HA GLU 27 7.134 -6.022 -1.363 198 HB2 GLU 27 1HB GLU 27 9.409 -6.878 -1.455 199 HB3 GLU 27 2HB GLU 27 9.381 -6.839 -3.212 200 HG2 GLU 27 1HG GLU 27 9.140 -4.391 -3.128 201 HG3 GLU 27 2HG GLU 27 9.254 -4.462 -1.371 202 H LEU 28 H LEU 28 6.933 -3.963 -2.323 203 HA LEU 28 HA LEU 28 6.309 -3.900 -5.185 204 HB2 LEU 28 1HB LEU 28 4.544 -2.511 -3.197 205 HB3 LEU 28 2HB LEU 28 4.241 -2.830 -4.904 206 HG LEU 28 HG LEU 28 4.349 -4.972 -2.784 207 HD11 LEU 28 1HD1 LEU 28 2.507 -3.462 -2.313 208 HD12 LEU 28 2HD1 LEU 28 1.903 -4.997 -2.937 209 HD13 LEU 28 3HD1 LEU 28 1.959 -3.580 -3.985 210 HD21 LEU 28 1HD2 LEU 28 2.859 -5.389 -5.271 211 HD22 LEU 28 2HD2 LEU 28 3.968 -6.461 -4.415 212 HD23 LEU 28 3HD2 LEU 28 4.600 -5.210 -5.487 213 H THR 29 H THR 29 6.554 -1.867 -6.170 214 HA THR 29 HA THR 29 7.600 0.314 -4.528 215 HB THR 29 HB THR 29 9.644 -0.727 -5.132 216 HG1 THR 29 1HG THR 29 10.545 0.870 -6.520 217 HG21 THR 29 1HG2 THR 29 8.781 -2.222 -6.870 218 HG22 THR 29 2HG2 THR 29 10.211 -1.355 -7.432 219 HG23 THR 29 3HG2 THR 29 8.607 -0.853 -7.967 220 H TRP 30 H TRP 30 6.884 2.247 -5.181 221 HA TRP 30 HA TRP 30 5.776 2.469 -7.902 222 HB2 TRP 30 1HB TRP 30 4.120 4.102 -6.879 223 HB3 TRP 30 2HB TRP 30 3.887 2.406 -6.465 224 HD1 TRP 30 HD TRP 30 4.870 5.757 -4.931 225 HE1 TRP 30 1HE TRP 30 4.839 5.537 -2.366 226 HE3 TRP 30 3HE TRP 30 4.196 0.703 -4.559 227 HZ2 TRP 30 2HZ TRP 30 4.566 3.491 -0.441 228 HZ3 TRP 30 3HZ TRP 30 4.062 -0.307 -2.319 229 HH2 TRP 30 HH TRP 30 4.243 1.059 -0.304 230 H ALA 31 H ALA 31 7.113 3.743 -9.008 231 HA ALA 31 HA ALA 31 7.756 6.373 -7.918 232 HB1 ALA 31 1HB ALA 31 9.793 4.341 -8.768 233 HB2 ALA 31 2HB ALA 31 10.137 6.071 -8.805 234 HB3 ALA 31 3HB ALA 31 9.725 5.286 -7.280 235 H GLY 32 H GLY 32 8.490 7.894 -9.559 236 HA2 GLY 32 1HA GLY 32 8.555 7.279 -12.312 237 HA3 GLY 32 2HA GLY 32 6.940 7.824 -11.885 238 H SER 33 H SER 33 7.406 9.573 -13.400 239 HA SER 33 HA SER 33 9.453 11.461 -12.955 240 HB2 SER 33 1HB SER 33 7.938 11.106 -15.038 241 HB3 SER 33 2HB SER 33 6.819 12.189 -14.211 242 HG SER 33 HG SER 33 8.429 13.768 -14.196 243 H ARG 34 H ARG 34 9.185 13.696 -12.252 244 HA ARG 34 HA ARG 34 7.634 13.814 -9.800 245 HB2 ARG 34 1HB ARG 34 8.863 15.909 -9.389 246 HB3 ARG 34 2HB ARG 34 9.946 14.568 -9.737 247 HG2 ARG 34 1HG ARG 34 10.903 16.160 -11.036 248 HG3 ARG 34 2HG ARG 34 9.740 15.517 -12.197 249 HD2 ARG 34 1HD ARG 34 8.279 17.322 -11.905 250 HD3 ARG 34 2HD ARG 34 9.046 17.811 -10.394 251 HE ARG 34 HE ARG 34 9.877 18.493 -13.069 252 HH11 ARG 34 2HH1 ARG 34 10.832 18.206 -9.734 253 HH12 ARG 34 1HH1 ARG 34 12.148 19.324 -9.879 254 HH21 ARG 34 2HH2 ARG 34 11.605 19.967 -13.272 255 HH22 ARG 34 1HH2 ARG 34 12.586 20.326 -11.892 256 HA PRO 35 HA PRO 35 4.298 16.172 -11.431 257 HB2 PRO 35 1HB PRO 35 3.505 17.452 -9.172 258 HB3 PRO 35 2HB PRO 35 3.213 15.732 -9.454 259 HG2 PRO 35 1HG PRO 35 5.357 17.049 -7.832 260 HG3 PRO 35 2HG PRO 35 4.378 15.622 -7.445 261 HD2 PRO 35 1HD PRO 35 6.918 15.440 -8.365 262 HD3 PRO 35 2HD PRO 35 5.679 14.223 -8.735 263 H ARG 36 H ARG 36 3.414 18.508 -11.292 264 HA ARG 36 HA ARG 36 5.569 20.267 -12.042 265 HB2 ARG 36 1HB ARG 36 3.758 21.864 -12.580 266 HB3 ARG 36 2HB ARG 36 3.527 20.298 -13.345 267 HG2 ARG 36 1HG ARG 36 1.418 20.646 -12.594 268 HG3 ARG 36 2HG ARG 36 2.091 19.859 -11.164 269 HD2 ARG 36 1HD ARG 36 0.918 21.770 -10.398 270 HD3 ARG 36 2HD ARG 36 2.635 22.156 -10.292 271 HE ARG 36 HE ARG 36 1.850 23.084 -12.746 272 HH11 ARG 36 2HH1 ARG 36 0.866 23.620 -9.450 273 HH12 ARG 36 1HH1 ARG 36 0.359 25.253 -9.730 274 HH21 ARG 36 2HH2 ARG 36 1.185 25.232 -13.127 275 HH22 ARG 36 1HH2 ARG 36 0.540 26.169 -11.822 276 H ASN 37 H ASN 37 4.702 19.366 -9.132 277 HA ASN 37 HA ASN 37 5.092 22.043 -7.970 278 HB2 ASN 37 1HB ASN 37 3.456 21.735 -6.375 279 HB3 ASN 37 2HB ASN 37 2.743 20.859 -7.727 280 HD21 ASN 37 1HD2 ASN 37 2.508 20.601 -4.759 281 HD22 ASN 37 2HD2 ASN 37 2.831 18.934 -4.438 282 HA PRO 38 HA PRO 38 8.560 20.296 -5.905 283 HB2 PRO 38 1HB PRO 38 8.728 21.993 -3.792 284 HB3 PRO 38 2HB PRO 38 9.185 22.456 -5.436 285 HG2 PRO 38 1HG PRO 38 6.645 23.007 -3.949 286 HG3 PRO 38 2HG PRO 38 7.596 24.092 -4.980 287 HD2 PRO 38 1HD PRO 38 5.354 22.849 -5.851 288 HD3 PRO 38 2HD PRO 38 6.720 23.219 -6.924 289 H GLY 39 H GLY 39 9.242 19.674 -3.580 290 HA2 GLY 39 1HA GLY 39 6.999 18.850 -1.903 291 HA3 GLY 39 2HA GLY 39 7.980 17.566 -2.594 292 H GLY 40 H GLY 40 8.307 17.052 -0.278 293 HA2 GLY 40 1HA GLY 40 10.861 17.982 0.573 294 HA3 GLY 40 2HA GLY 40 9.584 18.665 1.568 295 H ASN 41 H ASN 41 8.186 17.196 2.730 296 HA ASN 41 HA ASN 41 9.451 14.580 3.224 297 HB2 ASN 41 1HB ASN 41 8.344 16.596 5.166 298 HB3 ASN 41 2HB ASN 41 8.476 14.894 5.598 299 HD21 ASN 41 1HD2 ASN 41 10.354 14.167 6.336 300 HD22 ASN 41 2HD2 ASN 41 11.843 15.043 6.316 301 H LEU 42 H LEU 42 7.621 14.523 1.336 302 HA LEU 42 HA LEU 42 4.939 14.236 2.271 303 HB2 LEU 42 1HB LEU 42 6.379 13.680 -0.279 304 HB3 LEU 42 2HB LEU 42 4.778 12.985 -0.031 305 HG LEU 42 HG LEU 42 5.307 15.936 0.214 306 HD11 LEU 42 1HD1 LEU 42 5.992 15.353 -2.006 307 HD12 LEU 42 2HD1 LEU 42 4.400 16.106 -2.093 308 HD13 LEU 42 3HD1 LEU 42 4.556 14.356 -2.238 309 HD21 LEU 42 1HD2 LEU 42 3.103 16.140 0.537 310 HD22 LEU 42 2HD2 LEU 42 3.140 14.418 0.917 311 HD23 LEU 42 3HD2 LEU 42 2.716 14.954 -0.709 312 H SER 43 H SER 43 3.704 12.287 2.350 313 HA SER 43 HA SER 43 5.321 9.874 2.849 314 HB2 SER 43 1HB SER 43 2.814 10.706 4.330 315 HB3 SER 43 2HB SER 43 3.772 9.257 4.636 316 HG SER 43 HG SER 43 5.039 10.422 5.824 317 H TYR 44 H TYR 44 3.708 7.892 2.969 318 HA TYR 44 HA TYR 44 1.669 8.092 0.881 319 HB2 TYR 44 1HB TYR 44 3.747 5.905 0.819 320 HB3 TYR 44 2HB TYR 44 2.535 6.278 -0.401 321 HD1 TYR 44 2HD TYR 44 2.740 8.513 -1.630 322 HD2 TYR 44 1HD TYR 44 5.888 6.843 0.694 323 HE1 TYR 44 2HE TYR 44 4.359 9.939 -2.810 324 HE2 TYR 44 1HE TYR 44 7.516 8.266 -0.479 325 HH TYR 44 HH TYR 44 7.740 9.481 -2.555 326 H GLU 45 H GLU 45 -0.076 6.833 1.238 327 HA GLU 45 HA GLU 45 -0.047 5.187 3.661 328 HB2 GLU 45 1HB GLU 45 -1.750 7.039 3.321 329 HB3 GLU 45 2HB GLU 45 -2.462 6.036 2.065 330 HG2 GLU 45 1HG GLU 45 -3.153 4.411 3.582 331 HG3 GLU 45 2HG GLU 45 -2.057 4.986 4.838 332 H LEU 46 H LEU 46 0.025 3.051 3.517 333 HA LEU 46 HA LEU 46 -0.675 1.790 0.954 334 HB2 LEU 46 1HB LEU 46 1.666 1.615 2.167 335 HB3 LEU 46 2HB LEU 46 0.840 0.347 3.070 336 HG LEU 46 HG LEU 46 2.198 -0.457 1.136 337 HD11 LEU 46 1HD1 LEU 46 -0.631 -1.128 0.524 338 HD12 LEU 46 2HD1 LEU 46 -0.016 -1.483 2.138 339 HD13 LEU 46 3HD1 LEU 46 0.768 -2.184 0.722 340 HD21 LEU 46 1HD2 LEU 46 0.947 1.626 -0.210 341 HD22 LEU 46 2HD2 LEU 46 0.203 0.165 -0.862 342 HD23 LEU 46 3HD2 LEU 46 1.956 0.364 -0.917 343 H HIS 47 H HIS 47 -2.364 0.458 0.848 344 HA HIS 47 HA HIS 47 -3.463 -0.616 3.361 345 HB2 HIS 47 1HB HIS 47 -4.781 1.315 2.338 346 HB3 HIS 47 2HB HIS 47 -5.165 0.219 1.014 347 HD1 HIS 47 1HD HIS 47 -7.496 1.245 2.559 348 HD2 HIS 47 2HD HIS 47 -5.422 -2.172 3.691 349 HE1 HIS 47 1HE HIS 47 -9.099 -0.075 3.978 350 HE2 HIS 47 2HE HIS 47 -7.793 -2.096 4.722 351 H VAL 48 H VAL 48 -3.370 -2.754 3.369 352 HA VAL 48 HA VAL 48 -3.475 -4.188 0.800 353 HB VAL 48 HB VAL 48 -2.340 -5.103 3.447 354 HG11 VAL 48 1HG1 VAL 48 -2.607 -7.163 2.648 355 HG12 VAL 48 2HG1 VAL 48 -3.138 -6.555 1.078 356 HG13 VAL 48 3HG1 VAL 48 -1.418 -6.756 1.412 357 HG21 VAL 48 1HG2 VAL 48 -1.214 -3.373 1.649 358 HG22 VAL 48 2HG2 VAL 48 -0.323 -4.385 2.786 359 HG23 VAL 48 3HG2 VAL 48 -0.571 -4.930 1.127 360 H LEU 49 H LEU 49 -5.060 -5.617 0.406 361 HA LEU 49 HA LEU 49 -6.824 -6.390 2.632 362 HB2 LEU 49 1HB LEU 49 -7.799 -5.823 -0.154 363 HB3 LEU 49 2HB LEU 49 -8.759 -6.080 1.302 364 HG LEU 49 HG LEU 49 -7.592 -3.901 2.128 365 HD11 LEU 49 1HD1 LEU 49 -7.198 -3.764 -0.852 366 HD12 LEU 49 2HD1 LEU 49 -5.981 -3.598 0.413 367 HD13 LEU 49 3HD1 LEU 49 -7.203 -2.346 0.196 368 HD21 LEU 49 1HD2 LEU 49 -9.451 -2.664 1.431 369 HD22 LEU 49 2HD2 LEU 49 -10.027 -4.331 1.476 370 HD23 LEU 49 3HD2 LEU 49 -9.614 -3.581 -0.067 371 H ASN 50 H ASN 50 -7.047 -8.514 2.841 372 HA ASN 50 HA ASN 50 -6.382 -10.221 0.535 373 HB2 ASN 50 1HB ASN 50 -4.944 -10.309 2.670 374 HB3 ASN 50 2HB ASN 50 -6.321 -11.123 3.407 375 HD21 ASN 50 1HD2 ASN 50 -5.351 -13.076 3.687 376 HD22 ASN 50 2HD2 ASN 50 -4.876 -14.102 2.381 377 H GLN 51 H GLN 51 -7.401 -12.547 0.981 378 HA GLN 51 HA GLN 51 -9.968 -12.620 0.290 379 HB2 GLN 51 1HB GLN 51 -8.252 -14.531 1.044 380 HB3 GLN 51 2HB GLN 51 -9.308 -14.550 2.450 381 HG2 GLN 51 1HG GLN 51 -11.162 -14.611 0.531 382 HG3 GLN 51 2HG GLN 51 -9.833 -15.383 -0.333 383 HE21 GLN 51 1HE2 GLN 51 -10.291 -17.474 -0.344 384 HE22 GLN 51 2HE2 GLN 51 -10.695 -18.424 1.041 385 H ASP 52 H ASP 52 -9.100 -12.913 3.740 386 HA ASP 52 HA ASP 52 -11.535 -11.399 4.392 387 HB2 ASP 52 1HB ASP 52 -11.495 -13.012 6.504 388 HB3 ASP 52 2HB ASP 52 -12.325 -13.460 5.017 389 H GLU 53 H GLU 53 -8.313 -11.377 4.482 390 HA GLU 53 HA GLU 53 -8.196 -10.045 7.108 391 HB2 GLU 53 1HB GLU 53 -5.897 -11.315 5.614 392 HB3 GLU 53 2HB GLU 53 -5.852 -10.634 7.234 393 HG2 GLU 53 1HG GLU 53 -6.915 -12.422 8.171 394 HG3 GLU 53 2HG GLU 53 -7.766 -12.837 6.684 395 H GLU 54 H GLU 54 -8.172 -7.912 6.899 396 HA GLU 54 HA GLU 54 -6.631 -6.739 4.678 397 HB2 GLU 54 1HB GLU 54 -8.824 -6.210 4.104 398 HB3 GLU 54 2HB GLU 54 -9.320 -6.008 5.778 399 HG2 GLU 54 1HG GLU 54 -7.871 -3.959 5.851 400 HG3 GLU 54 2HG GLU 54 -7.679 -4.126 4.107 401 H TRP 55 H TRP 55 -4.871 -5.776 5.424 402 HA TRP 55 HA TRP 55 -5.069 -4.205 7.901 403 HB2 TRP 55 1HB TRP 55 -2.956 -4.997 8.684 404 HB3 TRP 55 2HB TRP 55 -3.908 -6.418 8.259 405 HD1 TRP 55 HD TRP 55 -0.908 -4.356 7.024 406 HE1 TRP 55 1HE TRP 55 0.481 -5.820 5.427 407 HE3 TRP 55 3HE TRP 55 -4.018 -8.402 6.720 408 HZ2 TRP 55 2HZ TRP 55 0.285 -8.355 4.201 409 HZ3 TRP 55 3HZ TRP 55 -3.344 -10.304 5.312 410 HH2 TRP 55 HH TRP 55 -1.237 -10.279 4.079 411 H HIS 56 H HIS 56 -4.341 -2.183 7.719 412 HA HIS 56 HA HIS 56 -2.810 -1.486 5.304 413 HB2 HIS 56 1HB HIS 56 -3.756 0.709 5.425 414 HB3 HIS 56 2HB HIS 56 -5.078 -0.439 5.612 415 HD1 HIS 56 1HD HIS 56 -5.301 2.476 6.622 416 HD2 HIS 56 2HD HIS 56 -4.155 -0.752 8.974 417 HE1 HIS 56 1HE HIS 56 -5.808 3.156 8.989 418 HE2 HIS 56 2HE HIS 56 -5.028 1.221 10.401 419 H GLN 57 H GLN 57 -1.139 0.113 5.481 420 HA GLN 57 HA GLN 57 -0.171 0.823 8.112 421 HB2 GLN 57 1HB GLN 57 2.108 -0.147 7.625 422 HB3 GLN 57 2HB GLN 57 0.850 -1.320 7.990 423 HG2 GLN 57 1HG GLN 57 0.756 -2.098 5.826 424 HG3 GLN 57 2HG GLN 57 1.429 -0.614 5.152 425 HE21 GLN 57 1HE2 GLN 57 3.652 -0.292 5.193 426 HE22 GLN 57 2HE2 GLN 57 4.763 -1.584 5.477 427 H MET 58 H MET 58 0.674 2.800 8.041 428 HA MET 58 HA MET 58 1.005 4.128 5.514 429 HB2 MET 58 1HB MET 58 0.127 5.098 7.762 430 HB3 MET 58 2HB MET 58 1.830 5.298 8.152 431 HG2 MET 58 1HG MET 58 2.042 6.579 5.986 432 HG3 MET 58 2HG MET 58 0.281 6.569 5.920 433 HE1 MET 58 1HE MET 58 3.201 8.132 6.565 434 HE2 MET 58 2HE MET 58 2.601 9.718 7.048 435 HE3 MET 58 3HE MET 58 3.301 8.635 8.252 436 H VAL 59 H VAL 59 2.820 4.356 4.382 437 HA VAL 59 HA VAL 59 5.382 3.777 5.723 438 HB VAL 59 HB VAL 59 6.233 2.972 3.561 439 HG11 VAL 59 1HG1 VAL 59 4.561 1.649 5.308 440 HG12 VAL 59 2HG1 VAL 59 3.880 1.272 3.724 441 HG13 VAL 59 3HG1 VAL 59 5.570 0.903 4.070 442 HG21 VAL 59 1HG2 VAL 59 3.703 4.060 2.627 443 HG22 VAL 59 2HG2 VAL 59 5.175 3.690 1.729 444 HG23 VAL 59 3HG2 VAL 59 3.995 2.419 2.049 445 H LEU 60 H LEU 60 7.119 5.100 5.313 446 HA LEU 60 HA LEU 60 6.475 7.717 4.237 447 HB2 LEU 60 1HB LEU 60 8.983 6.669 5.540 448 HB3 LEU 60 2HB LEU 60 8.706 8.346 5.075 449 HG LEU 60 HG LEU 60 7.128 6.831 7.154 450 HD11 LEU 60 1HD1 LEU 60 8.354 7.926 8.804 451 HD12 LEU 60 2HD1 LEU 60 9.027 9.092 7.665 452 HD13 LEU 60 3HD1 LEU 60 9.577 7.417 7.641 453 HD21 LEU 60 1HD2 LEU 60 7.075 9.719 6.287 454 HD22 LEU 60 2HD2 LEU 60 6.252 9.076 7.709 455 HD23 LEU 60 3HD2 LEU 60 5.784 8.531 6.098 456 H GLU 61 H GLU 61 8.297 4.887 3.361 457 HA GLU 61 HA GLU 61 9.580 6.272 1.133 458 HB2 GLU 61 1HB GLU 61 10.831 4.213 0.800 459 HB3 GLU 61 2HB GLU 61 10.929 4.717 2.481 460 HG2 GLU 61 1HG GLU 61 8.841 3.088 2.683 461 HG3 GLU 61 2HG GLU 61 9.613 2.356 1.278 462 HA PRO 62 HA PRO 62 6.712 4.954 -1.918 463 HB2 PRO 62 1HB PRO 62 8.347 4.640 -4.062 464 HB3 PRO 62 2HB PRO 62 7.908 6.224 -3.413 465 HG2 PRO 62 1HG PRO 62 10.401 4.624 -2.980 466 HG3 PRO 62 2HG PRO 62 10.226 6.362 -3.285 467 HD2 PRO 62 1HD PRO 62 10.637 5.353 -0.807 468 HD3 PRO 62 2HD PRO 62 9.680 6.821 -1.093 469 H ARG 63 H ARG 63 8.753 2.882 -0.457 470 HA ARG 63 HA ARG 63 7.835 0.607 -2.088 471 HB2 ARG 63 1HB ARG 63 9.903 -0.568 -1.595 472 HB3 ARG 63 2HB ARG 63 10.259 0.970 -2.368 473 HG2 ARG 63 1HG ARG 63 10.887 1.943 -0.261 474 HG3 ARG 63 2HG ARG 63 10.390 0.484 0.599 475 HD2 ARG 63 1HD ARG 63 12.742 0.366 0.411 476 HD3 ARG 63 2HD ARG 63 12.099 -0.760 -0.784 477 HE ARG 63 HE ARG 63 12.626 1.863 -1.833 478 HH11 ARG 63 2HH1 ARG 63 13.984 -1.262 -1.121 479 HH12 ARG 63 1HH1 ARG 63 15.253 -1.122 -2.292 480 HH21 ARG 63 2HH2 ARG 63 14.293 2.060 -3.378 481 HH22 ARG 63 1HH2 ARG 63 15.429 0.768 -3.574 482 H VAL 64 H VAL 64 7.311 -1.304 -0.964 483 HA VAL 64 HA VAL 64 7.172 -1.105 1.961 484 HB VAL 64 HB VAL 64 4.978 -0.412 1.074 485 HG11 VAL 64 1HG1 VAL 64 4.030 -1.423 -0.661 486 HG12 VAL 64 2HG1 VAL 64 5.423 -2.501 -0.760 487 HG13 VAL 64 3HG1 VAL 64 4.016 -2.961 0.200 488 HG21 VAL 64 1HG2 VAL 64 3.683 -2.401 2.217 489 HG22 VAL 64 2HG2 VAL 64 5.311 -2.895 2.685 490 HG23 VAL 64 3HG2 VAL 64 4.698 -1.312 3.163 491 H LEU 65 H LEU 65 7.580 -2.972 3.018 492 HA LEU 65 HA LEU 65 8.061 -5.357 1.364 493 HB2 LEU 65 1HB LEU 65 9.867 -4.146 2.857 494 HB3 LEU 65 2HB LEU 65 9.118 -5.100 4.135 495 HG LEU 65 HG LEU 65 11.188 -6.077 3.067 496 HD11 LEU 65 1HD1 LEU 65 10.314 -7.830 4.116 497 HD12 LEU 65 2HD1 LEU 65 9.593 -8.291 2.575 498 HD13 LEU 65 3HD1 LEU 65 8.667 -7.332 3.729 499 HD21 LEU 65 1HD2 LEU 65 9.953 -5.460 0.715 500 HD22 LEU 65 2HD2 LEU 65 9.616 -7.185 0.860 501 HD23 LEU 65 3HD2 LEU 65 11.282 -6.606 0.892 502 H LEU 66 H LEU 66 6.465 -6.786 1.471 503 HA LEU 66 HA LEU 66 5.029 -7.114 4.019 504 HB2 LEU 66 1HB LEU 66 4.159 -7.798 1.215 505 HB3 LEU 66 2HB LEU 66 3.214 -8.092 2.674 506 HG LEU 66 HG LEU 66 4.050 -5.344 1.762 507 HD11 LEU 66 1HD1 LEU 66 1.308 -6.500 1.414 508 HD12 LEU 66 2HD1 LEU 66 2.540 -6.672 0.165 509 HD13 LEU 66 3HD1 LEU 66 2.015 -5.066 0.669 510 HD21 LEU 66 1HD2 LEU 66 3.534 -5.316 4.061 511 HD22 LEU 66 2HD2 LEU 66 2.158 -6.399 3.848 512 HD23 LEU 66 3HD2 LEU 66 2.080 -4.744 3.243 513 H THR 67 H THR 67 5.212 -8.972 5.089 514 HA THR 67 HA THR 67 6.171 -11.349 3.643 515 HB THR 67 HB THR 67 7.565 -11.970 5.569 516 HG1 THR 67 1HG THR 67 6.180 -10.342 6.926 517 HG21 THR 67 1HG2 THR 67 8.341 -9.177 4.778 518 HG22 THR 67 2HG2 THR 67 8.387 -10.508 3.623 519 HG23 THR 67 3HG2 THR 67 9.380 -10.569 5.079 520 H LYS 68 H LYS 68 6.113 -13.240 5.500 521 HA LYS 68 HA LYS 68 4.728 -14.706 6.553 522 HB2 LYS 68 1HB LYS 68 4.021 -12.067 7.745 523 HB3 LYS 68 2HB LYS 68 2.984 -13.439 8.108 524 HG2 LYS 68 1HG LYS 68 5.235 -14.619 8.697 525 HG3 LYS 68 2HG LYS 68 5.829 -12.965 8.853 526 HD2 LYS 68 1HD LYS 68 5.121 -13.493 11.009 527 HD3 LYS 68 2HD LYS 68 3.758 -12.592 10.340 528 HE2 LYS 68 1HE LYS 68 2.827 -14.470 11.427 529 HE3 LYS 68 2HE LYS 68 2.763 -14.827 9.702 530 HZ1 LYS 68 1HZ LYS 68 3.954 -16.643 10.049 531 HZ2 LYS 68 2HZ LYS 68 3.949 -16.339 11.713 532 HZ3 LYS 68 3HZ LYS 68 5.207 -15.746 10.750 533 H LEU 69 H LEU 69 4.005 -14.188 3.952 534 HA LEU 69 HA LEU 69 1.086 -13.901 3.996 535 HB2 LEU 69 1HB LEU 69 2.917 -14.015 1.607 536 HB3 LEU 69 2HB LEU 69 1.212 -13.571 1.618 537 HG LEU 69 HG LEU 69 3.266 -11.953 3.096 538 HD11 LEU 69 1HD1 LEU 69 2.934 -10.475 0.927 539 HD12 LEU 69 2HD1 LEU 69 2.707 -12.058 0.183 540 HD13 LEU 69 3HD1 LEU 69 4.205 -11.693 1.039 541 HD21 LEU 69 1HD2 LEU 69 1.011 -11.473 3.710 542 HD22 LEU 69 2HD2 LEU 69 0.501 -11.420 2.022 543 HD23 LEU 69 3HD2 LEU 69 1.568 -10.169 2.661 544 H GLN 70 H GLN 70 0.001 -15.329 2.225 545 HA GLN 70 HA GLN 70 0.884 -18.088 2.716 546 HB2 GLN 70 1HB GLN 70 -1.816 -16.878 2.176 547 HB3 GLN 70 2HB GLN 70 -1.530 -18.600 1.966 548 HG2 GLN 70 1HG GLN 70 -0.966 -17.141 4.531 549 HG3 GLN 70 2HG GLN 70 -2.510 -17.910 4.170 550 HE21 GLN 70 1HE2 GLN 70 0.579 -18.330 5.417 551 HE22 GLN 70 2HE2 GLN 70 0.570 -20.052 5.549 552 HA PRO 71 HA PRO 71 1.901 -18.578 -1.540 553 HB2 PRO 71 1HB PRO 71 1.733 -21.282 -1.701 554 HB3 PRO 71 2HB PRO 71 3.063 -20.449 -0.888 555 HG2 PRO 71 1HG PRO 71 0.620 -21.717 0.290 556 HG3 PRO 71 2HG PRO 71 2.300 -21.789 0.852 557 HD2 PRO 71 1HD PRO 71 0.462 -20.142 1.964 558 HD3 PRO 71 2HD PRO 71 2.184 -19.721 1.863 559 H ASP 72 H ASP 72 0.873 -18.703 -3.477 560 HA ASP 72 HA ASP 72 -0.839 -18.788 -4.974 561 HB2 ASP 72 1HB ASP 72 -0.653 -21.181 -4.747 562 HB3 ASP 72 2HB ASP 72 -1.592 -21.159 -3.257 563 H THR 73 H THR 73 -1.228 -16.794 -3.297 564 HA THR 73 HA THR 73 -4.125 -16.836 -2.842 565 HB THR 73 HB THR 73 -2.109 -15.774 -0.854 566 HG1 THR 73 1HG THR 73 -4.068 -17.782 -0.427 567 HG21 THR 73 1HG2 THR 73 -4.160 -15.357 0.538 568 HG22 THR 73 2HG2 THR 73 -5.122 -15.649 -0.911 569 HG23 THR 73 3HG2 THR 73 -3.988 -14.300 -0.862 570 H THR 74 H THR 74 -5.171 -14.910 -3.226 571 HA THR 74 HA THR 74 -3.642 -12.937 -4.718 572 HB THR 74 HB THR 74 -6.625 -12.995 -4.237 573 HG1 THR 74 1HG THR 74 -6.511 -14.708 -5.486 574 HG21 THR 74 1HG2 THR 74 -6.642 -11.661 -6.353 575 HG22 THR 74 2HG2 THR 74 -4.884 -11.567 -6.246 576 HG23 THR 74 3HG2 THR 74 -5.884 -10.840 -4.989 577 H TYR 75 H TYR 75 -2.864 -11.166 -3.797 578 HA TYR 75 HA TYR 75 -4.209 -10.123 -1.391 579 HB2 TYR 75 1HB TYR 75 -1.285 -10.240 -2.106 580 HB3 TYR 75 2HB TYR 75 -1.897 -9.140 -0.876 581 HD1 TYR 75 2HD TYR 75 -3.010 -10.084 1.162 582 HD2 TYR 75 1HD TYR 75 -0.961 -12.541 -1.642 583 HE1 TYR 75 2HE TYR 75 -2.887 -11.882 2.836 584 HE2 TYR 75 1HE TYR 75 -0.833 -14.346 0.024 585 HH TYR 75 HH TYR 75 -2.419 -14.915 2.245 586 H ILE 76 H ILE 76 -5.068 -8.169 -1.580 587 HA ILE 76 HA ILE 76 -4.470 -6.568 -3.938 588 HB ILE 76 HB ILE 76 -6.508 -5.996 -1.788 589 HG12 ILE 76 1HG1 ILE 76 -6.840 -8.224 -2.884 590 HG13 ILE 76 2HG1 ILE 76 -8.156 -7.089 -3.163 591 HG21 ILE 76 1HG2 ILE 76 -6.007 -4.059 -3.103 592 HG22 ILE 76 2HG2 ILE 76 -6.142 -4.980 -4.600 593 HG23 ILE 76 3HG2 ILE 76 -7.575 -4.682 -3.616 594 HD11 ILE 76 1HD1 ILE 76 -7.506 -8.398 -5.159 595 HD12 ILE 76 2HD1 ILE 76 -7.383 -6.652 -5.384 596 HD13 ILE 76 3HD1 ILE 76 -5.928 -7.612 -5.114 597 H VAL 77 H VAL 77 -3.509 -4.596 -3.925 598 HA VAL 77 HA VAL 77 -2.861 -3.343 -1.361 599 HB VAL 77 HB VAL 77 -0.754 -3.815 -3.470 600 HG11 VAL 77 1HG1 VAL 77 0.399 -2.261 -2.384 601 HG12 VAL 77 2HG1 VAL 77 -0.934 -2.041 -1.248 602 HG13 VAL 77 3HG1 VAL 77 0.319 -3.238 -0.919 603 HG21 VAL 77 1HG2 VAL 77 -1.561 -5.408 -1.100 604 HG22 VAL 77 2HG2 VAL 77 -0.895 -5.936 -2.645 605 HG23 VAL 77 3HG2 VAL 77 0.164 -5.234 -1.423 606 H ARG 78 H ARG 78 -2.848 -1.152 -1.418 607 HA ARG 78 HA ARG 78 -2.800 0.208 -4.005 608 HB2 ARG 78 1HB ARG 78 -4.778 1.560 -3.397 609 HB3 ARG 78 2HB ARG 78 -5.162 -0.146 -3.584 610 HG2 ARG 78 1HG ARG 78 -5.303 -0.456 -1.231 611 HG3 ARG 78 2HG ARG 78 -4.642 1.150 -0.922 612 HD2 ARG 78 1HD ARG 78 -6.735 1.867 -2.395 613 HD3 ARG 78 2HD ARG 78 -7.367 0.341 -1.777 614 HE ARG 78 HE ARG 78 -6.263 2.001 0.278 615 HH11 ARG 78 2HH1 ARG 78 -9.088 1.399 -1.665 616 HH12 ARG 78 1HH1 ARG 78 -10.186 2.087 -0.515 617 HH21 ARG 78 2HH2 ARG 78 -7.698 2.910 1.800 618 HH22 ARG 78 1HH2 ARG 78 -9.394 2.947 1.456 619 H VAL 79 H VAL 79 -1.712 2.086 -3.958 620 HA VAL 79 HA VAL 79 -1.059 3.231 -1.320 621 HB VAL 79 HB VAL 79 0.856 2.032 -2.473 622 HG11 VAL 79 1HG1 VAL 79 1.463 4.316 -4.167 623 HG12 VAL 79 2HG1 VAL 79 1.538 2.589 -4.524 624 HG13 VAL 79 3HG1 VAL 79 0.010 3.458 -4.677 625 HG21 VAL 79 1HG2 VAL 79 1.703 3.361 -0.850 626 HG22 VAL 79 2HG2 VAL 79 2.318 4.271 -2.230 627 HG23 VAL 79 3HG2 VAL 79 0.841 4.791 -1.418 628 H ARG 80 H ARG 80 -0.922 5.471 -1.168 629 HA ARG 80 HA ARG 80 -1.460 7.087 -3.525 630 HB2 ARG 80 1HB ARG 80 -3.421 8.156 -2.617 631 HB3 ARG 80 2HB ARG 80 -3.693 6.419 -2.655 632 HG2 ARG 80 1HG ARG 80 -3.644 6.219 -0.372 633 HG3 ARG 80 2HG ARG 80 -2.646 7.659 -0.160 634 HD2 ARG 80 1HD ARG 80 -4.648 8.985 -0.983 635 HD3 ARG 80 2HD ARG 80 -5.582 7.503 -0.788 636 HE ARG 80 HE ARG 80 -4.203 8.022 1.597 637 HH11 ARG 80 2HH1 ARG 80 -6.806 9.315 -0.318 638 HH12 ARG 80 1HH1 ARG 80 -7.639 9.998 1.039 639 HH21 ARG 80 2HH2 ARG 80 -5.290 8.915 3.392 640 HH22 ARG 80 1HH2 ARG 80 -6.776 9.770 3.149 641 H THR 81 H THR 81 -0.739 9.178 -3.349 642 HA THR 81 HA THR 81 1.174 9.711 -1.304 643 HB THR 81 HB THR 81 0.070 11.577 -3.413 644 HG1 THR 81 1HG THR 81 1.878 10.936 -4.599 645 HG21 THR 81 1HG2 THR 81 1.229 12.619 -1.410 646 HG22 THR 81 2HG2 THR 81 1.923 12.992 -2.988 647 HG23 THR 81 3HG2 THR 81 2.692 11.794 -1.947 648 H LEU 82 H LEU 82 0.517 10.153 0.706 649 HA LEU 82 HA LEU 82 -1.960 11.366 1.351 650 HB2 LEU 82 1HB LEU 82 0.471 10.537 2.825 651 HB3 LEU 82 2HB LEU 82 -0.572 11.725 3.605 652 HG LEU 82 HG LEU 82 -1.304 8.922 2.770 653 HD11 LEU 82 1HD1 LEU 82 -1.300 10.210 5.492 654 HD12 LEU 82 2HD1 LEU 82 0.017 9.220 4.863 655 HD13 LEU 82 3HD1 LEU 82 -1.580 8.512 5.106 656 HD21 LEU 82 1HD2 LEU 82 -2.979 11.266 3.527 657 HD22 LEU 82 2HD2 LEU 82 -3.456 9.663 4.087 658 HD23 LEU 82 3HD2 LEU 82 -3.294 9.982 2.359 659 H THR 83 H THR 83 -2.471 13.438 1.947 660 HA THR 83 HA THR 83 -0.352 15.467 1.746 661 HB THR 83 HB THR 83 -1.574 16.867 0.333 662 HG1 THR 83 1HG THR 83 -3.604 16.883 1.153 663 HG21 THR 83 1HG2 THR 83 -2.712 14.721 -1.163 664 HG22 THR 83 2HG2 THR 83 -1.193 14.172 -0.456 665 HG23 THR 83 3HG2 THR 83 -1.223 15.612 -1.473 666 HA PRO 84 HA PRO 84 -2.029 17.130 5.451 667 HB2 PRO 84 1HB PRO 84 -1.399 19.754 5.155 668 HB3 PRO 84 2HB PRO 84 -0.194 18.510 5.510 669 HG2 PRO 84 1HG PRO 84 -0.896 19.774 2.889 670 HG3 PRO 84 2HG PRO 84 0.703 19.398 3.557 671 HD2 PRO 84 1HD PRO 84 -0.509 17.832 1.710 672 HD3 PRO 84 2HD PRO 84 0.570 17.176 2.958 673 H LEU 85 H LEU 85 -2.818 18.925 2.487 674 HA LEU 85 HA LEU 85 -5.504 19.407 3.597 675 HB2 LEU 85 1HB LEU 85 -3.825 21.237 1.891 676 HB3 LEU 85 2HB LEU 85 -5.535 21.496 2.227 677 HG LEU 85 HG LEU 85 -3.405 21.387 4.357 678 HD11 LEU 85 1HD1 LEU 85 -2.975 23.261 2.864 679 HD12 LEU 85 2HD1 LEU 85 -3.573 23.823 4.425 680 HD13 LEU 85 3HD1 LEU 85 -4.650 23.790 3.029 681 HD21 LEU 85 1HD2 LEU 85 -6.008 20.992 4.710 682 HD22 LEU 85 2HD2 LEU 85 -6.016 22.755 4.683 683 HD23 LEU 85 3HD2 LEU 85 -5.029 21.896 5.866 684 H GLY 86 H GLY 86 -6.451 17.660 2.570 685 HA2 GLY 86 1HA GLY 86 -7.799 16.930 0.802 686 HA3 GLY 86 2HA GLY 86 -6.973 18.058 -0.264 687 HA PRO 87 HA PRO 87 -4.257 14.043 0.143 688 HB2 PRO 87 1HB PRO 87 -5.616 11.837 0.955 689 HB3 PRO 87 2HB PRO 87 -4.769 12.909 2.076 690 HG2 PRO 87 1HG PRO 87 -7.682 12.800 1.395 691 HG3 PRO 87 2HG PRO 87 -6.909 12.987 2.981 692 HD2 PRO 87 1HD PRO 87 -7.942 15.080 1.608 693 HD3 PRO 87 2HD PRO 87 -6.528 15.239 2.670 694 H GLY 88 H GLY 88 -3.921 12.864 -1.675 695 HA2 GLY 88 1HA GLY 88 -5.795 12.961 -3.782 696 HA3 GLY 88 2HA GLY 88 -4.311 12.020 -3.774 697 HA PRO 89 HA PRO 89 -8.220 9.328 -3.470 698 HB2 PRO 89 1HB PRO 89 -8.208 8.349 -6.002 699 HB3 PRO 89 2HB PRO 89 -9.083 9.814 -5.543 700 HG2 PRO 89 1HG PRO 89 -6.411 9.538 -6.865 701 HG3 PRO 89 2HG PRO 89 -7.732 10.662 -7.236 702 HD2 PRO 89 1HD PRO 89 -5.556 11.395 -5.801 703 HD3 PRO 89 2HD PRO 89 -7.164 12.094 -5.521 704 H PHE 90 H PHE 90 -8.211 7.032 -3.421 705 HA PHE 90 HA PHE 90 -5.586 5.908 -3.044 706 HB2 PHE 90 1HB PHE 90 -8.381 5.075 -2.483 707 HB3 PHE 90 2HB PHE 90 -7.201 3.787 -2.705 708 HD1 PHE 90 2HD PHE 90 -5.067 3.898 -1.288 709 HD2 PHE 90 1HD PHE 90 -8.581 6.144 -0.437 710 HE1 PHE 90 2HE PHE 90 -4.317 4.184 1.037 711 HE2 PHE 90 1HE PHE 90 -7.835 6.435 1.889 712 HZ PHE 90 HZ PHE 90 -5.702 5.453 2.630 713 H SER 91 H SER 91 -4.629 4.257 -4.201 714 HA SER 91 HA SER 91 -5.089 4.201 -6.976 715 HB2 SER 91 1HB SER 91 -3.216 2.869 -7.104 716 HB3 SER 91 2HB SER 91 -2.979 3.547 -5.494 717 HG SER 91 HG SER 91 -3.345 0.982 -6.216 718 HA PRO 92 HA PRO 92 -8.169 1.134 -7.576 719 HB2 PRO 92 1HB PRO 92 -7.315 -0.056 -9.862 720 HB3 PRO 92 2HB PRO 92 -8.005 1.571 -9.826 721 HG2 PRO 92 1HG PRO 92 -5.132 0.733 -9.912 722 HG3 PRO 92 2HG PRO 92 -5.948 2.024 -10.813 723 HD2 PRO 92 1HD PRO 92 -4.448 2.507 -8.611 724 HD3 PRO 92 2HD PRO 92 -5.866 3.488 -9.035 725 H ASP 93 H ASP 93 -8.575 -0.836 -6.776 726 HA ASP 93 HA ASP 93 -6.876 -2.398 -5.384 727 HB2 ASP 93 1HB ASP 93 -9.027 -3.644 -7.093 728 HB3 ASP 93 2HB ASP 93 -8.454 -4.171 -5.512 729 H HIS 94 H HIS 94 -4.902 -3.006 -6.025 730 HA HIS 94 HA HIS 94 -4.426 -3.939 -8.727 731 HB2 HIS 94 1HB HIS 94 -2.735 -3.196 -6.393 732 HB3 HIS 94 2HB HIS 94 -2.056 -4.327 -7.560 733 HD1 HIS 94 1HD HIS 94 -3.781 -0.931 -7.666 734 HD2 HIS 94 2HD HIS 94 -0.772 -3.069 -9.572 735 HE1 HIS 94 1HE HIS 94 -2.795 0.654 -9.351 736 HE2 HIS 94 2HE HIS 94 -1.033 -0.689 -10.550 737 H GLU 95 H GLU 95 -5.060 -5.952 -9.178 738 HA GLU 95 HA GLU 95 -5.245 -8.022 -7.236 739 HB2 GLU 95 1HB GLU 95 -6.452 -7.675 -9.569 740 HB3 GLU 95 2HB GLU 95 -5.108 -8.647 -10.150 741 HG2 GLU 95 1HG GLU 95 -5.703 -10.419 -8.584 742 HG3 GLU 95 2HG GLU 95 -7.047 -9.445 -7.991 743 H PHE 96 H PHE 96 -3.475 -8.824 -6.305 744 HA PHE 96 HA PHE 96 -1.212 -9.561 -8.045 745 HB2 PHE 96 1HB PHE 96 -1.200 -8.543 -5.202 746 HB3 PHE 96 2HB PHE 96 0.200 -9.300 -5.956 747 HD1 PHE 96 1HD PHE 96 0.329 -8.227 -8.589 748 HD2 PHE 96 2HD PHE 96 -0.835 -6.291 -4.982 749 HE1 PHE 96 1HE PHE 96 0.987 -6.058 -9.545 750 HE2 PHE 96 2HE PHE 96 -0.179 -4.119 -5.932 751 HZ PHE 96 HZ PHE 96 0.733 -4.000 -8.217 752 H ARG 97 H ARG 97 -0.255 -11.554 -7.742 753 HA ARG 97 HA ARG 97 -1.535 -13.347 -5.791 754 HB2 ARG 97 1HB ARG 97 -2.166 -13.549 -8.356 755 HB3 ARG 97 2HB ARG 97 -0.647 -14.431 -8.425 756 HG2 ARG 97 1HG ARG 97 -1.444 -16.182 -7.207 757 HG3 ARG 97 2HG ARG 97 -2.589 -15.181 -6.312 758 HD2 ARG 97 1HD ARG 97 -3.806 -16.638 -7.790 759 HD3 ARG 97 2HD ARG 97 -3.951 -14.978 -8.368 760 HE ARG 97 HE ARG 97 -1.817 -16.495 -9.582 761 HH11 ARG 97 2HH1 ARG 97 -5.168 -15.566 -9.747 762 HH12 ARG 97 1HH1 ARG 97 -5.303 -15.867 -11.448 763 HH21 ARG 97 2HH2 ARG 97 -1.982 -16.895 -11.822 764 HH22 ARG 97 1HH2 ARG 97 -3.490 -16.624 -12.627 765 H THR 98 H THR 98 -0.199 -14.680 -4.687 766 HA THR 98 HA THR 98 2.641 -14.210 -4.920 767 HB THR 98 HB THR 98 2.743 -15.861 -2.975 768 HG1 THR 98 1HG THR 98 0.807 -16.411 -2.023 769 HG21 THR 98 1HG2 THR 98 1.561 -13.160 -3.025 770 HG22 THR 98 2HG2 THR 98 2.941 -13.778 -2.117 771 HG23 THR 98 3HG2 THR 98 1.301 -14.076 -1.542 772 H SER 99 H SER 99 4.219 -15.720 -5.413 773 HA SER 99 HA SER 99 3.864 -17.448 -7.479 774 HB2 SER 99 1HB SER 99 6.052 -16.703 -6.363 775 HB3 SER 99 2HB SER 99 5.831 -18.077 -5.280 776 HG SER 99 HG SER 99 6.152 -19.446 -6.918 777 HA PRO 100 HA PRO 100 1.578 -20.903 -5.987 778 HB2 PRO 100 1HB PRO 100 2.302 -22.726 -7.865 779 HB3 PRO 100 2HB PRO 100 1.183 -21.399 -8.196 780 HG2 PRO 100 1HG PRO 100 4.106 -21.609 -8.808 781 HG3 PRO 100 2HG PRO 100 2.792 -20.988 -9.824 782 HD2 PRO 100 1HD PRO 100 4.467 -19.361 -8.452 783 HD3 PRO 100 2HD PRO 100 2.770 -18.942 -8.763 784 HA PRO 101 HA PRO 101 4.381 -23.205 -3.462 785 HB2 PRO 101 1HB PRO 101 2.694 -25.194 -2.709 786 HB3 PRO 101 2HB PRO 101 2.591 -23.552 -2.064 787 HG2 PRO 101 1HG PRO 101 0.979 -24.840 -4.233 788 HG3 PRO 101 2HG PRO 101 0.438 -23.791 -2.909 789 HD2 PRO 101 1HD PRO 101 0.802 -22.880 -5.433 790 HD3 PRO 101 2HD PRO 101 1.082 -21.867 -4.002 791 H SER 102 H SER 102 5.264 -25.417 -3.234 792 HA SER 102 HA SER 102 6.340 -27.208 -4.138 793 HB2 SER 102 1HB SER 102 3.795 -27.850 -4.247 794 HB3 SER 102 2HB SER 102 4.027 -27.677 -5.987 795 HG SER 102 HG SER 102 4.453 -29.794 -5.439 796 H GLY 103 H GLY 103 7.070 -24.803 -5.263 797 HA2 GLY 103 1HA GLY 103 8.452 -24.172 -7.012 798 HA3 GLY 103 2HA GLY 103 8.083 -25.694 -7.808 799 HA PRO 104 HA PRO 104 6.039 -22.281 -10.187 800 HB2 PRO 104 1HB PRO 104 6.852 -23.172 -12.619 801 HB3 PRO 104 2HB PRO 104 7.833 -22.100 -11.611 802 HG2 PRO 104 1HG PRO 104 8.020 -25.067 -11.962 803 HG3 PRO 104 2HG PRO 104 9.321 -23.864 -11.895 804 HD2 PRO 104 1HD PRO 104 8.655 -25.408 -9.773 805 HD3 PRO 104 2HD PRO 104 9.272 -23.753 -9.594 806 H SER 105 H SER 105 6.317 -25.713 -11.108 807 HA SER 105 HA SER 105 3.501 -26.116 -11.012 808 HB2 SER 105 1HB SER 105 3.224 -26.659 -13.447 809 HB3 SER 105 2HB SER 105 3.477 -24.944 -13.120 810 HG SER 105 HG SER 105 4.870 -26.481 -14.727 811 H SER 106 H SER 106 3.070 -28.224 -10.712 812 HA SER 106 HA SER 106 5.167 -30.172 -11.406 813 HB2 SER 106 1HB SER 106 3.479 -30.193 -8.893 814 HB3 SER 106 2HB SER 106 4.719 -31.370 -9.325 815 HG SER 106 HG SER 106 5.068 -29.182 -7.967 816 H GLY 107 H GLY 107 4.505 -31.951 -12.458 817 HA2 GLY 107 1HA GLY 107 2.907 -33.723 -12.813 818 HA3 GLY 107 2HA GLY 107 1.624 -32.575 -12.462 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -17.895 11.360 -23.601 2 HA2 GLY 1 1HA GLY 1 -20.468 12.433 -22.709 3 HA3 GLY 1 2HA GLY 1 -20.006 12.724 -24.379 4 H SER 2 H SER 2 -20.975 10.325 -22.039 5 HA SER 2 HA SER 2 -22.139 8.693 -24.075 6 HB2 SER 2 1HB SER 2 -19.801 7.957 -24.287 7 HB3 SER 2 2HB SER 2 -19.764 7.569 -22.567 8 HG SER 2 HG SER 2 -21.351 5.997 -22.944 9 H SER 3 H SER 3 -23.281 6.821 -23.169 10 HA SER 3 HA SER 3 -24.528 7.507 -20.688 11 HB2 SER 3 1HB SER 3 -25.819 6.501 -22.513 12 HB3 SER 3 2HB SER 3 -24.836 5.039 -22.418 13 HG SER 3 HG SER 3 -25.597 5.006 -20.127 14 H GLY 4 H GLY 4 -23.380 7.242 -18.867 15 HA2 GLY 4 1HA GLY 4 -22.961 4.790 -17.686 16 HA3 GLY 4 2HA GLY 4 -21.455 5.160 -18.513 17 H SER 5 H SER 5 -20.504 5.131 -16.371 18 HA SER 5 HA SER 5 -21.165 7.452 -14.705 19 HB2 SER 5 1HB SER 5 -21.107 5.412 -13.450 20 HB3 SER 5 2HB SER 5 -19.555 4.954 -14.151 21 HG SER 5 HG SER 5 -20.119 6.673 -12.072 22 H SER 6 H SER 6 -20.178 9.076 -15.919 23 HA SER 6 HA SER 6 -17.446 8.906 -16.750 24 HB2 SER 6 1HB SER 6 -19.478 11.125 -16.664 25 HB3 SER 6 2HB SER 6 -17.797 11.448 -17.087 26 HG SER 6 HG SER 6 -19.555 10.776 -18.763 27 H GLY 7 H GLY 7 -15.629 9.655 -15.778 28 HA2 GLY 7 1HA GLY 7 -15.641 11.471 -13.583 29 HA3 GLY 7 2HA GLY 7 -15.441 9.817 -13.024 30 H ALA 8 H ALA 8 -13.692 12.381 -13.365 31 HA ALA 8 HA ALA 8 -11.371 10.944 -14.477 32 HB1 ALA 8 1HB ALA 8 -11.708 12.586 -16.070 33 HB2 ALA 8 2HB ALA 8 -12.241 13.776 -14.882 34 HB3 ALA 8 3HB ALA 8 -10.535 13.344 -14.992 35 H GLU 9 H GLU 9 -9.664 10.753 -13.169 36 HA GLU 9 HA GLU 9 -9.518 12.503 -10.804 37 HB2 GLU 9 1HB GLU 9 -8.732 10.634 -9.475 38 HB3 GLU 9 2HB GLU 9 -10.287 10.237 -10.192 39 HG2 GLU 9 1HG GLU 9 -8.960 9.071 -12.024 40 HG3 GLU 9 2HG GLU 9 -7.570 9.224 -10.951 41 H SER 10 H SER 10 -7.481 13.144 -10.129 42 HA SER 10 HA SER 10 -5.341 12.694 -12.096 43 HB2 SER 10 1HB SER 10 -5.788 14.965 -10.147 44 HB3 SER 10 2HB SER 10 -4.352 14.797 -11.157 45 HG SER 10 HG SER 10 -6.898 14.733 -12.339 46 H LEU 11 H LEU 11 -4.716 10.691 -11.131 47 HA LEU 11 HA LEU 11 -3.507 10.899 -8.464 48 HB2 LEU 11 1HB LEU 11 -4.993 9.076 -8.566 49 HB3 LEU 11 2HB LEU 11 -4.389 8.571 -10.143 50 HG LEU 11 HG LEU 11 -2.165 8.158 -8.808 51 HD11 LEU 11 1HD1 LEU 11 -2.885 7.212 -6.520 52 HD12 LEU 11 2HD1 LEU 11 -4.273 8.287 -6.687 53 HD13 LEU 11 3HD1 LEU 11 -2.639 8.952 -6.681 54 HD21 LEU 11 1HD2 LEU 11 -4.061 6.568 -9.861 55 HD22 LEU 11 2HD2 LEU 11 -4.182 6.103 -8.164 56 HD23 LEU 11 3HD2 LEU 11 -2.640 5.960 -9.010 57 H SER 12 H SER 12 -1.402 11.261 -8.367 58 HA SER 12 HA SER 12 0.356 11.443 -10.463 59 HB2 SER 12 1HB SER 12 0.654 12.110 -7.977 60 HB3 SER 12 2HB SER 12 1.300 10.482 -7.772 61 HG SER 12 HG SER 12 3.007 10.983 -8.979 62 H GLY 13 H GLY 13 2.300 10.087 -10.921 63 HA2 GLY 13 1HA GLY 13 1.574 7.561 -11.849 64 HA3 GLY 13 2HA GLY 13 3.228 8.118 -11.648 65 H LEU 14 H LEU 14 0.635 6.267 -10.279 66 HA LEU 14 HA LEU 14 2.525 5.176 -8.307 67 HB2 LEU 14 1HB LEU 14 -0.285 6.106 -7.913 68 HB3 LEU 14 2HB LEU 14 0.345 4.790 -6.925 69 HG LEU 14 HG LEU 14 1.439 7.599 -7.065 70 HD11 LEU 14 1HD1 LEU 14 0.440 8.016 -5.040 71 HD12 LEU 14 2HD1 LEU 14 0.322 6.307 -4.621 72 HD13 LEU 14 3HD1 LEU 14 -0.777 7.000 -5.814 73 HD21 LEU 14 1HD2 LEU 14 2.784 6.742 -5.072 74 HD22 LEU 14 2HD2 LEU 14 3.300 6.228 -6.679 75 HD23 LEU 14 3HD2 LEU 14 2.384 5.124 -5.651 76 H SER 15 H SER 15 2.567 3.828 -10.474 77 HA SER 15 HA SER 15 0.441 1.847 -10.585 78 HB2 SER 15 1HB SER 15 1.793 0.944 -12.515 79 HB3 SER 15 2HB SER 15 1.236 2.605 -12.718 80 HG SER 15 HG SER 15 3.235 3.272 -12.707 81 H LEU 16 H LEU 16 0.629 0.603 -8.760 82 HA LEU 16 HA LEU 16 2.911 -0.312 -7.521 83 HB2 LEU 16 1HB LEU 16 0.241 -1.673 -7.832 84 HB3 LEU 16 2HB LEU 16 1.504 -2.222 -6.732 85 HG LEU 16 HG LEU 16 0.413 0.559 -6.519 86 HD11 LEU 16 1HD1 LEU 16 -1.047 -0.580 -4.668 87 HD12 LEU 16 2HD1 LEU 16 -0.904 -1.990 -5.717 88 HD13 LEU 16 3HD1 LEU 16 -1.613 -0.499 -6.336 89 HD21 LEU 16 1HD2 LEU 16 1.388 -1.299 -4.368 90 HD22 LEU 16 2HD2 LEU 16 1.212 0.455 -4.309 91 HD23 LEU 16 3HD2 LEU 16 2.481 -0.273 -5.296 92 H LYS 17 H LYS 17 4.538 -1.530 -8.186 93 HA LYS 17 HA LYS 17 4.054 -3.471 -10.351 94 HB2 LYS 17 1HB LYS 17 5.548 -1.790 -11.145 95 HB3 LYS 17 2HB LYS 17 6.502 -1.846 -9.668 96 HG2 LYS 17 1HG LYS 17 7.861 -3.055 -11.018 97 HG3 LYS 17 2HG LYS 17 6.837 -4.364 -10.423 98 HD2 LYS 17 1HD LYS 17 5.728 -4.585 -12.417 99 HD3 LYS 17 2HD LYS 17 5.981 -2.897 -12.868 100 HE2 LYS 17 1HE LYS 17 7.443 -3.896 -14.307 101 HE3 LYS 17 2HE LYS 17 8.510 -3.668 -12.922 102 HZ1 LYS 17 1HZ LYS 17 8.791 -5.845 -12.777 103 HZ2 LYS 17 2HZ LYS 17 7.884 -6.048 -14.190 104 HZ3 LYS 17 3HZ LYS 17 7.124 -6.117 -12.681 105 H LEU 18 H LEU 18 4.601 -5.561 -10.049 106 HA LEU 18 HA LEU 18 5.345 -6.378 -7.374 107 HB2 LEU 18 1HB LEU 18 3.586 -7.588 -8.486 108 HB3 LEU 18 2HB LEU 18 4.642 -7.942 -9.852 109 HG LEU 18 HG LEU 18 6.068 -9.257 -8.196 110 HD11 LEU 18 1HD1 LEU 18 3.739 -8.527 -6.510 111 HD12 LEU 18 2HD1 LEU 18 5.432 -8.755 -6.071 112 HD13 LEU 18 3HD1 LEU 18 4.397 -10.156 -6.347 113 HD21 LEU 18 1HD2 LEU 18 3.990 -11.025 -8.136 114 HD22 LEU 18 2HD2 LEU 18 5.068 -10.771 -9.509 115 HD23 LEU 18 3HD2 LEU 18 3.512 -9.942 -9.444 116 H VAL 19 H VAL 19 7.478 -5.948 -7.028 117 HA VAL 19 HA VAL 19 9.476 -6.714 -8.987 118 HB VAL 19 HB VAL 19 10.993 -5.993 -6.926 119 HG11 VAL 19 1HG1 VAL 19 11.374 -4.107 -8.105 120 HG12 VAL 19 2HG1 VAL 19 10.305 -4.878 -9.279 121 HG13 VAL 19 3HG1 VAL 19 9.667 -3.670 -8.163 122 HG21 VAL 19 1HG2 VAL 19 9.976 -4.359 -5.513 123 HG22 VAL 19 2HG2 VAL 19 8.459 -4.444 -6.410 124 HG23 VAL 19 3HG2 VAL 19 8.986 -5.817 -5.437 125 H LYS 20 H LYS 20 8.447 -7.691 -5.744 126 HA LYS 20 HA LYS 20 10.141 -10.088 -6.000 127 HB2 LYS 20 1HB LYS 20 10.446 -8.373 -4.049 128 HB3 LYS 20 2HB LYS 20 9.017 -9.153 -3.383 129 HG2 LYS 20 1HG LYS 20 10.737 -10.316 -2.383 130 HG3 LYS 20 2HG LYS 20 10.332 -11.348 -3.757 131 HD2 LYS 20 1HD LYS 20 12.174 -10.345 -5.036 132 HD3 LYS 20 2HD LYS 20 12.585 -9.341 -3.644 133 HE2 LYS 20 1HE LYS 20 13.065 -11.330 -2.329 134 HE3 LYS 20 2HE LYS 20 12.592 -12.358 -3.681 135 HZ1 LYS 20 1HZ LYS 20 14.738 -10.366 -4.009 136 HZ2 LYS 20 2HZ LYS 20 14.466 -11.791 -4.878 137 HZ3 LYS 20 3HZ LYS 20 15.071 -11.865 -3.300 138 H LYS 21 H LYS 21 9.003 -11.804 -6.596 139 HA LYS 21 HA LYS 21 6.223 -12.057 -5.664 140 HB2 LYS 21 1HB LYS 21 6.310 -12.061 -8.049 141 HB3 LYS 21 2HB LYS 21 7.647 -13.204 -8.064 142 HG2 LYS 21 1HG LYS 21 6.301 -15.002 -7.696 143 HG3 LYS 21 2HG LYS 21 5.106 -14.064 -6.797 144 HD2 LYS 21 1HD LYS 21 4.143 -13.206 -8.760 145 HD3 LYS 21 2HD LYS 21 5.530 -13.674 -9.746 146 HE2 LYS 21 1HE LYS 21 3.888 -15.739 -8.327 147 HE3 LYS 21 2HE LYS 21 3.363 -15.080 -9.875 148 HZ1 LYS 21 1HZ LYS 21 5.228 -17.099 -9.415 149 HZ2 LYS 21 2HZ LYS 21 6.074 -15.784 -10.060 150 HZ3 LYS 21 3HZ LYS 21 4.758 -16.437 -10.899 151 H GLU 22 H GLU 22 6.731 -12.939 -3.633 152 HA GLU 22 HA GLU 22 7.879 -15.652 -3.721 153 HB2 GLU 22 1HB GLU 22 8.000 -13.519 -1.604 154 HB3 GLU 22 2HB GLU 22 8.276 -15.211 -1.212 155 HG2 GLU 22 1HG GLU 22 9.972 -15.013 -3.237 156 HG3 GLU 22 2HG GLU 22 9.953 -13.318 -2.753 157 HA PRO 23 HA PRO 23 4.112 -17.340 -2.233 158 HB2 PRO 23 1HB PRO 23 5.002 -19.332 -0.618 159 HB3 PRO 23 2HB PRO 23 5.108 -19.405 -2.381 160 HG2 PRO 23 1HG PRO 23 7.217 -18.677 -0.386 161 HG3 PRO 23 2HG PRO 23 7.347 -19.700 -1.828 162 HD2 PRO 23 1HD PRO 23 8.181 -17.124 -1.789 163 HD3 PRO 23 2HD PRO 23 7.523 -17.892 -3.248 164 H ARG 24 H ARG 24 6.459 -16.153 0.036 165 HA ARG 24 HA ARG 24 4.298 -15.658 1.961 166 HB2 ARG 24 1HB ARG 24 7.059 -16.691 2.632 167 HB3 ARG 24 2HB ARG 24 5.882 -16.137 3.815 168 HG2 ARG 24 1HG ARG 24 4.376 -17.922 3.221 169 HG3 ARG 24 2HG ARG 24 5.452 -18.436 1.919 170 HD2 ARG 24 1HD ARG 24 7.198 -18.917 3.589 171 HD3 ARG 24 2HD ARG 24 6.077 -18.459 4.870 172 HE ARG 24 HE ARG 24 4.873 -20.446 3.314 173 HH11 ARG 24 2HH1 ARG 24 7.545 -20.053 5.510 174 HH12 ARG 24 1HH1 ARG 24 7.504 -21.696 6.060 175 HH21 ARG 24 2HH2 ARG 24 4.809 -22.611 4.030 176 HH22 ARG 24 1HH2 ARG 24 5.948 -23.150 5.217 177 H GLN 25 H GLN 25 5.679 -14.009 -0.072 178 HA GLN 25 HA GLN 25 6.032 -11.671 1.501 179 HB2 GLN 25 1HB GLN 25 8.226 -12.830 1.863 180 HB3 GLN 25 2HB GLN 25 8.523 -12.696 0.135 181 HG2 GLN 25 1HG GLN 25 8.211 -10.191 0.438 182 HG3 GLN 25 2HG GLN 25 8.331 -10.502 2.169 183 HE21 GLN 25 1HE2 GLN 25 10.025 -9.761 -0.582 184 HE22 GLN 25 2HE2 GLN 25 11.617 -10.163 -0.043 185 H LEU 26 H LEU 26 6.217 -9.768 0.236 186 HA LEU 26 HA LEU 26 6.362 -9.969 -2.639 187 HB2 LEU 26 1HB LEU 26 3.801 -9.347 -1.209 188 HB3 LEU 26 2HB LEU 26 4.120 -8.723 -2.826 189 HG LEU 26 HG LEU 26 4.024 -11.644 -2.075 190 HD11 LEU 26 1HD1 LEU 26 1.947 -11.552 -3.534 191 HD12 LEU 26 2HD1 LEU 26 2.005 -9.802 -3.321 192 HD13 LEU 26 3HD1 LEU 26 1.817 -10.855 -1.919 193 HD21 LEU 26 1HD2 LEU 26 5.171 -11.896 -3.971 194 HD22 LEU 26 2HD2 LEU 26 4.956 -10.205 -4.425 195 HD23 LEU 26 3HD2 LEU 26 3.700 -11.386 -4.800 196 H GLU 27 H GLU 27 7.355 -8.217 -3.393 197 HA GLU 27 HA GLU 27 7.340 -5.789 -1.724 198 HB2 GLU 27 1HB GLU 27 9.546 -6.912 -1.959 199 HB3 GLU 27 2HB GLU 27 9.451 -6.673 -3.698 200 HG2 GLU 27 1HG GLU 27 9.574 -4.313 -3.465 201 HG3 GLU 27 2HG GLU 27 9.373 -4.416 -1.717 202 H LEU 28 H LEU 28 6.964 -3.810 -2.659 203 HA LEU 28 HA LEU 28 6.313 -3.784 -5.527 204 HB2 LEU 28 1HB LEU 28 4.715 -2.289 -3.468 205 HB3 LEU 28 2HB LEU 28 4.329 -2.550 -5.168 206 HG LEU 28 HG LEU 28 4.399 -4.754 -3.114 207 HD11 LEU 28 1HD1 LEU 28 1.961 -4.619 -3.110 208 HD12 LEU 28 2HD1 LEU 28 2.034 -3.195 -4.146 209 HD13 LEU 28 3HD1 LEU 28 2.688 -3.128 -2.509 210 HD21 LEU 28 1HD2 LEU 28 3.769 -6.161 -4.756 211 HD22 LEU 28 2HD2 LEU 28 4.534 -4.963 -5.800 212 HD23 LEU 28 3HD2 LEU 28 2.785 -4.944 -5.569 213 H THR 29 H THR 29 6.505 -1.736 -6.560 214 HA THR 29 HA THR 29 7.845 0.377 -5.041 215 HB THR 29 HB THR 29 9.706 -0.857 -5.941 216 HG1 THR 29 1HG THR 29 9.935 1.003 -7.851 217 HG21 THR 29 1HG2 THR 29 8.448 -0.537 -8.668 218 HG22 THR 29 2HG2 THR 29 8.439 -2.029 -7.728 219 HG23 THR 29 3HG2 THR 29 9.966 -1.351 -8.291 220 H TRP 30 H TRP 30 6.983 2.290 -5.496 221 HA TRP 30 HA TRP 30 5.729 2.677 -8.133 222 HB2 TRP 30 1HB TRP 30 4.079 4.179 -6.922 223 HB3 TRP 30 2HB TRP 30 3.911 2.452 -6.618 224 HD1 TRP 30 HD TRP 30 4.982 5.704 -4.903 225 HE1 TRP 30 1HE TRP 30 5.035 5.311 -2.360 226 HE3 TRP 30 3HE TRP 30 4.205 0.651 -4.845 227 HZ2 TRP 30 2HZ TRP 30 4.781 3.146 -0.567 228 HZ3 TRP 30 3HZ TRP 30 4.124 -0.505 -2.675 229 HH2 TRP 30 HH TRP 30 4.407 0.718 -0.581 230 H ALA 31 H ALA 31 7.063 4.020 -9.174 231 HA ALA 31 HA ALA 31 7.823 6.517 -7.814 232 HB1 ALA 31 1HB ALA 31 9.720 4.846 -8.010 233 HB2 ALA 31 2HB ALA 31 9.643 5.114 -9.752 234 HB3 ALA 31 3HB ALA 31 10.018 6.455 -8.669 235 H GLY 32 H GLY 32 7.939 8.365 -9.118 236 HA2 GLY 32 1HA GLY 32 7.183 8.087 -11.934 237 HA3 GLY 32 2HA GLY 32 6.112 9.010 -10.889 238 H SER 33 H SER 33 6.956 10.410 -12.906 239 HA SER 33 HA SER 33 9.454 11.599 -12.889 240 HB2 SER 33 1HB SER 33 6.850 12.987 -13.561 241 HB3 SER 33 2HB SER 33 8.458 13.425 -14.137 242 HG SER 33 HG SER 33 8.327 11.026 -14.879 243 H ARG 34 H ARG 34 10.483 12.686 -11.361 244 HA ARG 34 HA ARG 34 8.926 14.068 -9.296 245 HB2 ARG 34 1HB ARG 34 10.501 12.470 -8.418 246 HB3 ARG 34 2HB ARG 34 11.806 13.165 -9.371 247 HG2 ARG 34 1HG ARG 34 11.635 15.238 -8.071 248 HG3 ARG 34 2HG ARG 34 10.358 14.506 -7.098 249 HD2 ARG 34 1HD ARG 34 13.168 13.444 -7.356 250 HD3 ARG 34 2HD ARG 34 12.574 14.415 -6.010 251 HE ARG 34 HE ARG 34 10.899 12.194 -6.310 252 HH11 ARG 34 2HH1 ARG 34 14.167 12.952 -5.381 253 HH12 ARG 34 1HH1 ARG 34 14.321 11.589 -4.323 254 HH21 ARG 34 2HH2 ARG 34 11.089 10.396 -4.919 255 HH22 ARG 34 1HH2 ARG 34 12.570 10.135 -4.061 256 HA PRO 35 HA PRO 35 9.973 17.978 -11.071 257 HB2 PRO 35 1HB PRO 35 9.313 19.527 -8.941 258 HB3 PRO 35 2HB PRO 35 8.107 18.781 -9.997 259 HG2 PRO 35 1HG PRO 35 9.099 17.879 -7.320 260 HG3 PRO 35 2HG PRO 35 7.439 17.916 -7.944 261 HD2 PRO 35 1HD PRO 35 8.916 15.648 -7.868 262 HD3 PRO 35 2HD PRO 35 7.707 15.959 -9.131 263 H ARG 36 H ARG 36 11.370 19.845 -10.641 264 HA ARG 36 HA ARG 36 13.940 19.144 -9.877 265 HB2 ARG 36 1HB ARG 36 13.381 21.094 -11.289 266 HB3 ARG 36 2HB ARG 36 12.733 21.916 -9.876 267 HG2 ARG 36 1HG ARG 36 15.156 21.411 -8.932 268 HG3 ARG 36 2HG ARG 36 15.545 21.406 -10.654 269 HD2 ARG 36 1HD ARG 36 14.030 23.628 -9.299 270 HD3 ARG 36 2HD ARG 36 15.783 23.625 -9.488 271 HE ARG 36 HE ARG 36 13.804 24.068 -11.552 272 HH11 ARG 36 2HH1 ARG 36 17.119 23.313 -10.802 273 HH12 ARG 36 1HH1 ARG 36 17.722 23.831 -12.341 274 HH21 ARG 36 2HH2 ARG 36 14.586 24.753 -13.582 275 HH22 ARG 36 1HH2 ARG 36 16.280 24.651 -13.922 276 H ASN 37 H ASN 37 11.509 20.964 -8.022 277 HA ASN 37 HA ASN 37 12.887 20.143 -5.564 278 HB2 ASN 37 1HB ASN 37 13.653 22.330 -5.628 279 HB3 ASN 37 2HB ASN 37 12.203 22.925 -6.429 280 HD21 ASN 37 1HD2 ASN 37 10.491 23.596 -5.231 281 HD22 ASN 37 2HD2 ASN 37 10.511 23.699 -3.506 282 HA PRO 38 HA PRO 38 8.584 18.935 -4.971 283 HB2 PRO 38 1HB PRO 38 9.108 17.286 -2.879 284 HB3 PRO 38 2HB PRO 38 9.354 16.809 -4.563 285 HG2 PRO 38 1HG PRO 38 11.353 17.778 -2.557 286 HG3 PRO 38 2HG PRO 38 11.492 16.449 -3.722 287 HD2 PRO 38 1HD PRO 38 12.599 18.883 -4.150 288 HD3 PRO 38 2HD PRO 38 11.987 17.867 -5.471 289 H GLY 39 H GLY 39 10.772 19.593 -2.223 290 HA2 GLY 39 1HA GLY 39 10.522 21.063 -0.460 291 HA3 GLY 39 2HA GLY 39 9.082 21.693 -1.247 292 H GLY 40 H GLY 40 10.293 19.757 1.268 293 HA2 GLY 40 1HA GLY 40 8.988 19.144 3.144 294 HA3 GLY 40 2HA GLY 40 7.553 19.189 2.130 295 H ASN 41 H ASN 41 8.697 17.114 3.978 296 HA ASN 41 HA ASN 41 9.276 14.920 2.150 297 HB2 ASN 41 1HB ASN 41 9.221 15.080 5.169 298 HB3 ASN 41 2HB ASN 41 9.575 13.607 4.271 299 HD21 ASN 41 1HD2 ASN 41 11.642 13.190 4.086 300 HD22 ASN 41 2HD2 ASN 41 12.919 14.350 4.011 301 H LEU 42 H LEU 42 7.360 14.477 1.114 302 HA LEU 42 HA LEU 42 4.871 14.232 2.490 303 HB2 LEU 42 1HB LEU 42 5.853 13.724 -0.270 304 HB3 LEU 42 2HB LEU 42 4.335 12.978 0.224 305 HG LEU 42 HG LEU 42 4.855 15.941 0.382 306 HD11 LEU 42 1HD1 LEU 42 5.006 15.053 -1.949 307 HD12 LEU 42 2HD1 LEU 42 3.696 16.203 -1.684 308 HD13 LEU 42 3HD1 LEU 42 3.348 14.477 -1.775 309 HD21 LEU 42 1HD2 LEU 42 2.524 16.148 0.719 310 HD22 LEU 42 2HD2 LEU 42 3.068 14.879 1.816 311 HD23 LEU 42 3HD2 LEU 42 2.240 14.455 0.317 312 H SER 43 H SER 43 3.583 12.245 2.559 313 HA SER 43 HA SER 43 5.273 9.874 3.019 314 HB2 SER 43 1HB SER 43 2.755 10.722 4.471 315 HB3 SER 43 2HB SER 43 3.590 9.189 4.723 316 HG SER 43 HG SER 43 4.159 11.641 5.721 317 H TYR 44 H TYR 44 3.764 7.824 3.083 318 HA TYR 44 HA TYR 44 1.794 7.953 0.914 319 HB2 TYR 44 1HB TYR 44 4.017 5.906 1.057 320 HB3 TYR 44 2HB TYR 44 2.740 5.967 -0.152 321 HD1 TYR 44 2HD TYR 44 2.586 8.523 -1.205 322 HD2 TYR 44 1HD TYR 44 6.070 6.581 0.275 323 HE1 TYR 44 2HE TYR 44 3.985 9.971 -2.617 324 HE2 TYR 44 1HE TYR 44 7.479 8.024 -1.131 325 HH TYR 44 HH TYR 44 6.106 10.676 -2.998 326 H GLU 45 H GLU 45 0.018 6.762 1.271 327 HA GLU 45 HA GLU 45 -0.047 5.136 3.706 328 HB2 GLU 45 1HB GLU 45 -1.742 6.828 3.647 329 HB3 GLU 45 2HB GLU 45 -2.232 6.362 2.025 330 HG2 GLU 45 1HG GLU 45 -3.864 5.551 3.549 331 HG3 GLU 45 2HG GLU 45 -2.956 4.168 2.940 332 H LEU 46 H LEU 46 0.057 3.003 3.561 333 HA LEU 46 HA LEU 46 -0.655 1.727 1.007 334 HB2 LEU 46 1HB LEU 46 1.699 1.570 2.203 335 HB3 LEU 46 2HB LEU 46 0.887 0.296 3.110 336 HG LEU 46 HG LEU 46 2.145 -0.659 1.284 337 HD11 LEU 46 1HD1 LEU 46 0.570 -2.178 0.827 338 HD12 LEU 46 2HD1 LEU 46 -0.512 -0.984 0.112 339 HD13 LEU 46 3HD1 LEU 46 -0.468 -1.198 1.862 340 HD21 LEU 46 1HD2 LEU 46 2.432 0.774 -0.437 341 HD22 LEU 46 2HD2 LEU 46 0.839 1.505 -0.241 342 HD23 LEU 46 3HD2 LEU 46 1.004 -0.045 -1.068 343 H HIS 47 H HIS 47 -2.263 0.277 0.922 344 HA HIS 47 HA HIS 47 -3.319 -0.810 3.438 345 HB2 HIS 47 1HB HIS 47 -4.670 1.168 2.602 346 HB3 HIS 47 2HB HIS 47 -5.099 0.180 1.209 347 HD1 HIS 47 1HD HIS 47 -7.305 1.165 3.056 348 HD2 HIS 47 2HD HIS 47 -5.371 -2.480 3.539 349 HE1 HIS 47 1HE HIS 47 -8.894 -0.270 4.375 350 HE2 HIS 47 2HE HIS 47 -7.668 -2.441 4.727 351 H VAL 48 H VAL 48 -3.028 -2.934 3.292 352 HA VAL 48 HA VAL 48 -3.402 -4.247 0.688 353 HB VAL 48 HB VAL 48 -2.010 -5.290 3.158 354 HG11 VAL 48 1HG1 VAL 48 -1.477 -6.586 0.599 355 HG12 VAL 48 2HG1 VAL 48 -1.833 -7.292 2.177 356 HG13 VAL 48 3HG1 VAL 48 -3.149 -6.750 1.135 357 HG21 VAL 48 1HG2 VAL 48 -1.079 -3.800 0.775 358 HG22 VAL 48 2HG2 VAL 48 -0.460 -3.798 2.426 359 HG23 VAL 48 3HG2 VAL 48 -0.065 -5.129 1.338 360 H LEU 49 H LEU 49 -4.985 -5.700 0.379 361 HA LEU 49 HA LEU 49 -6.544 -6.562 2.725 362 HB2 LEU 49 1HB LEU 49 -7.564 -5.786 -0.003 363 HB3 LEU 49 2HB LEU 49 -8.547 -6.517 1.265 364 HG LEU 49 HG LEU 49 -7.818 -4.449 2.663 365 HD11 LEU 49 1HD1 LEU 49 -7.498 -3.329 -0.114 366 HD12 LEU 49 2HD1 LEU 49 -6.152 -3.709 0.959 367 HD13 LEU 49 3HD1 LEU 49 -7.323 -2.474 1.418 368 HD21 LEU 49 1HD2 LEU 49 -9.862 -4.606 0.492 369 HD22 LEU 49 2HD2 LEU 49 -9.672 -3.111 1.408 370 HD23 LEU 49 3HD2 LEU 49 -10.077 -4.611 2.243 371 H ASN 50 H ASN 50 -7.793 -8.566 2.364 372 HA ASN 50 HA ASN 50 -6.878 -10.294 0.219 373 HB2 ASN 50 1HB ASN 50 -5.247 -10.418 2.233 374 HB3 ASN 50 2HB ASN 50 -6.545 -11.301 3.032 375 HD21 ASN 50 1HD2 ASN 50 -4.811 -12.954 3.050 376 HD22 ASN 50 2HD2 ASN 50 -4.695 -14.012 1.689 377 H GLN 51 H GLN 51 -7.832 -12.657 0.830 378 HA GLN 51 HA GLN 51 -10.546 -12.547 0.475 379 HB2 GLN 51 1HB GLN 51 -8.721 -14.661 1.540 380 HB3 GLN 51 2HB GLN 51 -10.458 -14.928 1.595 381 HG2 GLN 51 1HG GLN 51 -10.522 -14.466 -0.859 382 HG3 GLN 51 2HG GLN 51 -8.760 -14.447 -0.837 383 HE21 GLN 51 1HE2 GLN 51 -10.280 -16.214 -2.377 384 HE22 GLN 51 2HE2 GLN 51 -10.009 -17.819 -1.797 385 H ASP 52 H ASP 52 -8.967 -13.372 3.568 386 HA ASP 52 HA ASP 52 -11.262 -12.154 4.952 387 HB2 ASP 52 1HB ASP 52 -10.031 -14.845 5.325 388 HB3 ASP 52 2HB ASP 52 -10.612 -13.996 6.754 389 H GLU 53 H GLU 53 -8.488 -11.236 4.253 390 HA GLU 53 HA GLU 53 -7.744 -10.401 6.965 391 HB2 GLU 53 1HB GLU 53 -5.946 -11.630 4.894 392 HB3 GLU 53 2HB GLU 53 -5.304 -10.540 6.114 393 HG2 GLU 53 1HG GLU 53 -5.842 -11.994 7.864 394 HG3 GLU 53 2HG GLU 53 -6.931 -12.943 6.855 395 H GLU 54 H GLU 54 -7.916 -8.268 7.029 396 HA GLU 54 HA GLU 54 -7.004 -6.713 4.702 397 HB2 GLU 54 1HB GLU 54 -9.356 -6.524 4.609 398 HB3 GLU 54 2HB GLU 54 -9.494 -6.356 6.354 399 HG2 GLU 54 1HG GLU 54 -7.987 -4.202 5.797 400 HG3 GLU 54 2HG GLU 54 -8.898 -4.340 4.295 401 H TRP 55 H TRP 55 -5.286 -5.558 5.242 402 HA TRP 55 HA TRP 55 -5.259 -4.172 7.823 403 HB2 TRP 55 1HB TRP 55 -3.042 -4.856 8.357 404 HB3 TRP 55 2HB TRP 55 -3.923 -6.323 7.942 405 HD1 TRP 55 HD TRP 55 -1.388 -3.871 6.349 406 HE1 TRP 55 1HE TRP 55 0.010 -5.178 4.627 407 HE3 TRP 55 3HE TRP 55 -3.803 -8.370 6.592 408 HZ2 TRP 55 2HZ TRP 55 0.079 -7.773 3.519 409 HZ3 TRP 55 3HZ TRP 55 -3.009 -10.213 5.168 410 HH2 TRP 55 HH TRP 55 -1.108 -9.919 3.663 411 H HIS 56 H HIS 56 -3.864 -2.321 7.891 412 HA HIS 56 HA HIS 56 -2.802 -1.407 5.323 413 HB2 HIS 56 1HB HIS 56 -3.861 0.893 5.916 414 HB3 HIS 56 2HB HIS 56 -4.868 -0.341 5.166 415 HD1 HIS 56 1HD HIS 56 -6.951 0.863 6.221 416 HD2 HIS 56 2HD HIS 56 -4.280 -0.753 8.964 417 HE1 HIS 56 1HE HIS 56 -8.182 0.821 8.413 418 HE2 HIS 56 2HE HIS 56 -6.517 -0.081 10.075 419 H GLN 57 H GLN 57 -1.076 -0.007 5.479 420 HA GLN 57 HA GLN 57 -0.300 1.031 8.080 421 HB2 GLN 57 1HB GLN 57 1.859 -0.008 8.122 422 HB3 GLN 57 2HB GLN 57 0.655 -1.277 7.935 423 HG2 GLN 57 1HG GLN 57 1.164 -1.530 5.627 424 HG3 GLN 57 2HG GLN 57 2.181 -0.090 5.634 425 HE21 GLN 57 1HE2 GLN 57 2.913 -2.730 4.803 426 HE22 GLN 57 2HE2 GLN 57 4.206 -3.245 5.827 427 H MET 58 H MET 58 0.758 2.929 7.931 428 HA MET 58 HA MET 58 1.092 4.083 5.306 429 HB2 MET 58 1HB MET 58 0.193 5.249 7.427 430 HB3 MET 58 2HB MET 58 1.883 5.399 7.890 431 HG2 MET 58 1HG MET 58 2.311 6.594 5.766 432 HG3 MET 58 2HG MET 58 0.583 6.528 5.425 433 HE1 MET 58 1HE MET 58 2.613 9.785 6.537 434 HE2 MET 58 2HE MET 58 3.117 8.967 8.016 435 HE3 MET 58 3HE MET 58 3.350 8.185 6.452 436 H VAL 59 H VAL 59 2.906 4.045 4.165 437 HA VAL 59 HA VAL 59 5.431 3.452 5.558 438 HB VAL 59 HB VAL 59 6.280 2.702 3.360 439 HG11 VAL 59 1HG1 VAL 59 4.413 1.411 5.036 440 HG12 VAL 59 2HG1 VAL 59 4.008 0.972 3.375 441 HG13 VAL 59 3HG1 VAL 59 5.633 0.676 3.996 442 HG21 VAL 59 1HG2 VAL 59 3.572 2.569 2.197 443 HG22 VAL 59 2HG2 VAL 59 4.310 4.170 2.260 444 HG23 VAL 59 3HG2 VAL 59 5.130 2.854 1.420 445 H LEU 60 H LEU 60 7.233 4.706 5.230 446 HA LEU 60 HA LEU 60 6.735 7.328 4.027 447 HB2 LEU 60 1HB LEU 60 9.081 6.480 5.711 448 HB3 LEU 60 2HB LEU 60 8.598 8.123 5.295 449 HG LEU 60 HG LEU 60 6.712 6.429 6.865 450 HD11 LEU 60 1HD1 LEU 60 9.086 6.283 7.833 451 HD12 LEU 60 2HD1 LEU 60 7.777 6.781 8.905 452 HD13 LEU 60 3HD1 LEU 60 8.874 7.988 8.234 453 HD21 LEU 60 1HD2 LEU 60 7.356 9.350 6.604 454 HD22 LEU 60 2HD2 LEU 60 6.380 8.725 7.934 455 HD23 LEU 60 3HD2 LEU 60 5.838 8.518 6.267 456 H GLU 61 H GLU 61 7.495 4.697 2.651 457 HA GLU 61 HA GLU 61 9.599 5.878 0.986 458 HB2 GLU 61 1HB GLU 61 10.659 3.615 0.785 459 HB3 GLU 61 2HB GLU 61 10.818 4.356 2.371 460 HG2 GLU 61 1HG GLU 61 8.550 2.496 1.866 461 HG3 GLU 61 2HG GLU 61 10.166 1.839 2.121 462 HA PRO 62 HA PRO 62 7.046 4.660 -2.373 463 HB2 PRO 62 1HB PRO 62 8.910 4.353 -4.323 464 HB3 PRO 62 2HB PRO 62 8.418 5.934 -3.705 465 HG2 PRO 62 1HG PRO 62 10.827 4.296 -3.015 466 HG3 PRO 62 2HG PRO 62 10.708 6.040 -3.313 467 HD2 PRO 62 1HD PRO 62 10.824 4.994 -0.818 468 HD3 PRO 62 2HD PRO 62 9.922 6.477 -1.191 469 H ARG 63 H ARG 63 8.971 2.549 -0.761 470 HA ARG 63 HA ARG 63 8.045 0.294 -2.402 471 HB2 ARG 63 1HB ARG 63 10.154 -0.896 -1.946 472 HB3 ARG 63 2HB ARG 63 10.416 0.577 -2.870 473 HG2 ARG 63 1HG ARG 63 10.872 1.642 -0.546 474 HG3 ARG 63 2HG ARG 63 11.122 -0.029 -0.036 475 HD2 ARG 63 1HD ARG 63 13.254 0.544 -0.652 476 HD3 ARG 63 2HD ARG 63 12.647 -0.117 -2.170 477 HE ARG 63 HE ARG 63 12.706 1.995 -3.091 478 HH11 ARG 63 2HH1 ARG 63 13.246 2.176 0.344 479 HH12 ARG 63 1HH1 ARG 63 13.738 3.837 0.310 480 HH21 ARG 63 2HH2 ARG 63 13.352 4.181 -3.148 481 HH22 ARG 63 1HH2 ARG 63 13.797 4.977 -1.676 482 H VAL 64 H VAL 64 7.145 -1.352 -1.290 483 HA VAL 64 HA VAL 64 7.373 -1.309 1.648 484 HB VAL 64 HB VAL 64 5.184 -0.441 1.031 485 HG11 VAL 64 1HG1 VAL 64 5.017 -1.490 -1.181 486 HG12 VAL 64 2HG1 VAL 64 4.770 -3.059 -0.412 487 HG13 VAL 64 3HG1 VAL 64 3.575 -1.777 -0.208 488 HG21 VAL 64 1HG2 VAL 64 5.403 -3.111 2.337 489 HG22 VAL 64 2HG2 VAL 64 4.977 -1.547 3.033 490 HG23 VAL 64 3HG2 VAL 64 3.801 -2.427 2.057 491 H LEU 65 H LEU 65 7.738 -3.223 2.627 492 HA LEU 65 HA LEU 65 7.831 -5.611 0.906 493 HB2 LEU 65 1HB LEU 65 9.985 -4.704 1.890 494 HB3 LEU 65 2HB LEU 65 9.363 -5.205 3.461 495 HG LEU 65 HG LEU 65 10.905 -6.860 2.668 496 HD11 LEU 65 1HD1 LEU 65 9.615 -8.766 2.980 497 HD12 LEU 65 2HD1 LEU 65 8.219 -8.078 2.151 498 HD13 LEU 65 3HD1 LEU 65 8.663 -7.501 3.758 499 HD21 LEU 65 1HD2 LEU 65 11.183 -7.008 0.459 500 HD22 LEU 65 2HD2 LEU 65 9.578 -6.357 0.127 501 HD23 LEU 65 3HD2 LEU 65 9.779 -8.075 0.472 502 H LEU 66 H LEU 66 6.090 -6.829 1.248 503 HA LEU 66 HA LEU 66 4.915 -6.969 3.920 504 HB2 LEU 66 1HB LEU 66 3.921 -8.145 1.329 505 HB3 LEU 66 2HB LEU 66 3.033 -8.052 2.849 506 HG LEU 66 HG LEU 66 3.964 -5.534 1.541 507 HD11 LEU 66 1HD1 LEU 66 2.910 -6.741 -0.272 508 HD12 LEU 66 2HD1 LEU 66 1.855 -5.441 0.280 509 HD13 LEU 66 3HD1 LEU 66 1.518 -7.107 0.748 510 HD21 LEU 66 1HD2 LEU 66 2.769 -5.909 3.866 511 HD22 LEU 66 2HD2 LEU 66 1.327 -5.936 2.851 512 HD23 LEU 66 3HD2 LEU 66 2.385 -4.525 2.843 513 H THR 67 H THR 67 4.806 -8.810 5.128 514 HA THR 67 HA THR 67 6.022 -11.248 4.025 515 HB THR 67 HB THR 67 7.225 -11.652 6.115 516 HG1 THR 67 1HG THR 67 7.354 -9.730 7.564 517 HG21 THR 67 1HG2 THR 67 8.178 -8.928 5.596 518 HG22 THR 67 2HG2 THR 67 7.957 -9.905 4.144 519 HG23 THR 67 3HG2 THR 67 9.015 -10.471 5.435 520 H LYS 68 H LYS 68 5.736 -13.076 5.798 521 HA LYS 68 HA LYS 68 4.281 -14.496 6.816 522 HB2 LYS 68 1HB LYS 68 3.479 -11.824 7.875 523 HB3 LYS 68 2HB LYS 68 2.429 -13.196 8.203 524 HG2 LYS 68 1HG LYS 68 4.590 -14.352 9.022 525 HG3 LYS 68 2HG LYS 68 5.239 -12.712 9.100 526 HD2 LYS 68 1HD LYS 68 4.395 -12.888 11.216 527 HD3 LYS 68 2HD LYS 68 2.968 -12.264 10.384 528 HE2 LYS 68 1HE LYS 68 3.354 -15.209 10.483 529 HE3 LYS 68 2HE LYS 68 2.861 -14.391 11.965 530 HZ1 LYS 68 1HZ LYS 68 1.297 -13.424 9.852 531 HZ2 LYS 68 2HZ LYS 68 0.801 -14.316 11.201 532 HZ3 LYS 68 3HZ LYS 68 1.271 -15.115 9.786 533 H LEU 69 H LEU 69 3.761 -14.159 4.181 534 HA LEU 69 HA LEU 69 0.840 -13.867 3.996 535 HB2 LEU 69 1HB LEU 69 2.840 -13.928 1.745 536 HB3 LEU 69 2HB LEU 69 1.127 -13.527 1.635 537 HG LEU 69 HG LEU 69 3.005 -11.859 3.275 538 HD11 LEU 69 1HD1 LEU 69 2.470 -11.613 0.319 539 HD12 LEU 69 2HD1 LEU 69 4.018 -11.968 1.085 540 HD13 LEU 69 3HD1 LEU 69 3.262 -10.391 1.314 541 HD21 LEU 69 1HD2 LEU 69 0.319 -11.464 1.985 542 HD22 LEU 69 2HD2 LEU 69 1.300 -10.116 2.560 543 HD23 LEU 69 3HD2 LEU 69 0.745 -11.350 3.693 544 H GLN 70 H GLN 70 -0.174 -15.342 2.309 545 HA GLN 70 HA GLN 70 0.778 -18.069 2.811 546 HB2 GLN 70 1HB GLN 70 -1.910 -16.978 1.983 547 HB3 GLN 70 2HB GLN 70 -1.538 -18.697 1.993 548 HG2 GLN 70 1HG GLN 70 -0.816 -18.186 4.469 549 HG3 GLN 70 2HG GLN 70 -1.913 -16.821 4.264 550 HE21 GLN 70 1HE2 GLN 70 -2.230 -19.025 6.051 551 HE22 GLN 70 2HE2 GLN 70 -3.683 -19.845 5.603 552 HA PRO 71 HA PRO 71 2.099 -18.548 -1.362 553 HB2 PRO 71 1HB PRO 71 2.022 -21.258 -1.512 554 HB3 PRO 71 2HB PRO 71 3.269 -20.381 -0.619 555 HG2 PRO 71 1HG PRO 71 0.790 -21.713 0.402 556 HG3 PRO 71 2HG PRO 71 2.430 -21.732 1.077 557 HD2 PRO 71 1HD PRO 71 0.473 -20.133 2.050 558 HD3 PRO 71 2HD PRO 71 2.184 -19.662 2.062 559 H ASP 72 H ASP 72 1.129 -18.533 -3.305 560 HA ASP 72 HA ASP 72 -0.462 -18.706 -4.921 561 HB2 ASP 72 1HB ASP 72 -0.174 -21.097 -4.721 562 HB3 ASP 72 2HB ASP 72 -1.228 -21.147 -3.311 563 H THR 73 H THR 73 -1.053 -16.759 -3.279 564 HA THR 73 HA THR 73 -3.963 -16.930 -3.008 565 HB THR 73 HB THR 73 -2.177 -15.832 -0.828 566 HG1 THR 73 1HG THR 73 -3.693 -17.729 0.119 567 HG21 THR 73 1HG2 THR 73 -4.028 -15.051 0.243 568 HG22 THR 73 2HG2 THR 73 -5.076 -16.301 -0.427 569 HG23 THR 73 3HG2 THR 73 -4.619 -14.912 -1.412 570 H THR 74 H THR 74 -5.012 -15.120 -3.627 571 HA THR 74 HA THR 74 -3.508 -13.048 -4.916 572 HB THR 74 HB THR 74 -6.485 -13.200 -4.400 573 HG1 THR 74 1HG THR 74 -5.988 -14.895 -5.713 574 HG21 THR 74 1HG2 THR 74 -5.102 -11.637 -6.563 575 HG22 THR 74 2HG2 THR 74 -5.420 -10.939 -4.974 576 HG23 THR 74 3HG2 THR 74 -6.760 -11.487 -5.981 577 H TYR 75 H TYR 75 -2.825 -11.193 -4.076 578 HA TYR 75 HA TYR 75 -4.073 -10.238 -1.582 579 HB2 TYR 75 1HB TYR 75 -1.175 -10.415 -2.354 580 HB3 TYR 75 2HB TYR 75 -1.714 -9.224 -1.176 581 HD1 TYR 75 2HD TYR 75 -2.744 -9.983 0.960 582 HD2 TYR 75 1HD TYR 75 -0.977 -12.717 -1.779 583 HE1 TYR 75 2HE TYR 75 -2.636 -11.682 2.735 584 HE2 TYR 75 1HE TYR 75 -0.866 -14.425 -0.013 585 HH TYR 75 HH TYR 75 -2.030 -14.941 2.124 586 H ILE 76 H ILE 76 -4.999 -8.319 -1.775 587 HA ILE 76 HA ILE 76 -4.405 -6.655 -4.089 588 HB ILE 76 HB ILE 76 -6.490 -6.197 -1.956 589 HG12 ILE 76 1HG1 ILE 76 -6.819 -8.368 -3.088 590 HG13 ILE 76 2HG1 ILE 76 -8.091 -7.219 -3.488 591 HG21 ILE 76 1HG2 ILE 76 -6.077 -4.186 -3.135 592 HG22 ILE 76 2HG2 ILE 76 -6.025 -5.023 -4.685 593 HG23 ILE 76 3HG2 ILE 76 -7.553 -4.868 -3.818 594 HD11 ILE 76 1HD1 ILE 76 -7.552 -8.280 -5.499 595 HD12 ILE 76 2HD1 ILE 76 -6.748 -6.712 -5.584 596 HD13 ILE 76 3HD1 ILE 76 -5.819 -8.161 -5.199 597 H VAL 77 H VAL 77 -3.496 -4.659 -4.022 598 HA VAL 77 HA VAL 77 -2.881 -3.473 -1.414 599 HB VAL 77 HB VAL 77 -0.809 -3.869 -3.578 600 HG11 VAL 77 1HG1 VAL 77 -0.448 -2.754 -0.803 601 HG12 VAL 77 2HG1 VAL 77 0.744 -2.819 -2.104 602 HG13 VAL 77 3HG1 VAL 77 -0.657 -1.755 -2.241 603 HG21 VAL 77 1HG2 VAL 77 -0.812 -5.079 -0.825 604 HG22 VAL 77 2HG2 VAL 77 -1.480 -5.910 -2.230 605 HG23 VAL 77 3HG2 VAL 77 0.229 -5.475 -2.192 606 H ARG 78 H ARG 78 -2.568 -1.229 -1.440 607 HA ARG 78 HA ARG 78 -2.735 0.213 -3.945 608 HB2 ARG 78 1HB ARG 78 -4.738 1.491 -3.279 609 HB3 ARG 78 2HB ARG 78 -5.086 -0.216 -3.514 610 HG2 ARG 78 1HG ARG 78 -5.150 -0.593 -1.150 611 HG3 ARG 78 2HG ARG 78 -4.598 1.053 -0.830 612 HD2 ARG 78 1HD ARG 78 -6.627 1.990 -1.498 613 HD3 ARG 78 2HD ARG 78 -7.112 0.542 -2.378 614 HE ARG 78 HE ARG 78 -6.894 -0.190 0.280 615 HH11 ARG 78 2HH1 ARG 78 -8.782 2.032 -1.623 616 HH12 ARG 78 1HH1 ARG 78 -10.161 1.961 -0.576 617 HH21 ARG 78 2HH2 ARG 78 -8.703 -0.292 1.666 618 HH22 ARG 78 1HH2 ARG 78 -10.114 0.640 1.294 619 H VAL 79 H VAL 79 -1.526 1.989 -3.819 620 HA VAL 79 HA VAL 79 -0.993 3.131 -1.153 621 HB VAL 79 HB VAL 79 0.950 1.892 -2.221 622 HG11 VAL 79 1HG1 VAL 79 0.246 3.360 -4.449 623 HG12 VAL 79 2HG1 VAL 79 1.698 4.171 -3.861 624 HG13 VAL 79 3HG1 VAL 79 1.738 2.447 -4.232 625 HG21 VAL 79 1HG2 VAL 79 2.344 4.251 -1.937 626 HG22 VAL 79 2HG2 VAL 79 0.878 4.533 -0.998 627 HG23 VAL 79 3HG2 VAL 79 1.905 3.145 -0.636 628 H ARG 80 H ARG 80 -0.888 5.357 -0.975 629 HA ARG 80 HA ARG 80 -1.218 7.001 -3.349 630 HB2 ARG 80 1HB ARG 80 -3.230 8.104 -2.532 631 HB3 ARG 80 2HB ARG 80 -3.519 6.382 -2.740 632 HG2 ARG 80 1HG ARG 80 -3.713 5.999 -0.494 633 HG3 ARG 80 2HG ARG 80 -2.694 7.373 -0.061 634 HD2 ARG 80 1HD ARG 80 -4.605 8.806 -1.033 635 HD3 ARG 80 2HD ARG 80 -5.576 7.343 -0.880 636 HE ARG 80 HE ARG 80 -4.190 8.015 1.533 637 HH11 ARG 80 2HH1 ARG 80 -7.024 8.666 -0.382 638 HH12 ARG 80 1HH1 ARG 80 -7.973 9.194 0.967 639 HH21 ARG 80 2HH2 ARG 80 -5.430 8.709 3.317 640 HH22 ARG 80 1HH2 ARG 80 -7.066 9.219 3.071 641 H THR 81 H THR 81 -0.810 9.231 -2.984 642 HA THR 81 HA THR 81 1.016 9.690 -0.788 643 HB THR 81 HB THR 81 0.159 11.526 -3.034 644 HG1 THR 81 1HG THR 81 1.696 10.578 -4.139 645 HG21 THR 81 1HG2 THR 81 1.074 13.132 -1.765 646 HG22 THR 81 2HG2 THR 81 2.621 12.365 -2.126 647 HG23 THR 81 3HG2 THR 81 1.764 11.965 -0.638 648 H LEU 82 H LEU 82 0.684 10.938 0.972 649 HA LEU 82 HA LEU 82 -2.030 11.736 1.559 650 HB2 LEU 82 1HB LEU 82 0.496 11.433 3.075 651 HB3 LEU 82 2HB LEU 82 -0.682 12.585 3.701 652 HG LEU 82 HG LEU 82 -0.904 10.428 4.798 653 HD11 LEU 82 1HD1 LEU 82 -3.011 11.723 3.287 654 HD12 LEU 82 2HD1 LEU 82 -3.017 11.108 4.940 655 HD13 LEU 82 3HD1 LEU 82 -3.358 10.022 3.593 656 HD21 LEU 82 1HD2 LEU 82 -0.418 9.411 2.216 657 HD22 LEU 82 2HD2 LEU 82 -2.041 8.892 2.672 658 HD23 LEU 82 3HD2 LEU 82 -0.667 8.509 3.711 659 H THR 83 H THR 83 -2.748 13.816 1.992 660 HA THR 83 HA THR 83 -0.907 16.020 1.372 661 HB THR 83 HB THR 83 -2.344 17.061 -0.147 662 HG1 THR 83 1HG THR 83 -4.288 16.774 1.047 663 HG21 THR 83 1HG2 THR 83 -1.625 14.373 -0.602 664 HG22 THR 83 2HG2 THR 83 -1.951 15.623 -1.803 665 HG23 THR 83 3HG2 THR 83 -3.254 14.574 -1.246 666 HA PRO 84 HA PRO 84 -2.631 17.987 4.902 667 HB2 PRO 84 1HB PRO 84 -2.337 20.598 4.219 668 HB3 PRO 84 2HB PRO 84 -0.977 19.564 4.673 669 HG2 PRO 84 1HG PRO 84 -1.927 20.355 1.947 670 HG3 PRO 84 2HG PRO 84 -0.270 20.264 2.571 671 HD2 PRO 84 1HD PRO 84 -1.352 18.324 1.023 672 HD3 PRO 84 2HD PRO 84 -0.154 17.980 2.288 673 H LEU 85 H LEU 85 -3.745 19.243 1.770 674 HA LEU 85 HA LEU 85 -6.427 19.559 2.947 675 HB2 LEU 85 1HB LEU 85 -4.995 21.339 0.991 676 HB3 LEU 85 2HB LEU 85 -6.737 21.406 1.248 677 HG LEU 85 HG LEU 85 -4.708 21.869 3.429 678 HD11 LEU 85 1HD1 LEU 85 -5.441 23.569 1.245 679 HD12 LEU 85 2HD1 LEU 85 -4.312 23.871 2.566 680 HD13 LEU 85 3HD1 LEU 85 -6.020 24.260 2.761 681 HD21 LEU 85 1HD2 LEU 85 -7.234 21.189 3.786 682 HD22 LEU 85 2HD2 LEU 85 -7.498 22.900 3.449 683 HD23 LEU 85 3HD2 LEU 85 -6.459 22.415 4.790 684 H GLY 86 H GLY 86 -7.276 17.651 2.205 685 HA2 GLY 86 1HA GLY 86 -8.517 16.462 0.645 686 HA3 GLY 86 2HA GLY 86 -7.980 17.587 -0.594 687 HA PRO 87 HA PRO 87 -4.728 13.995 -0.031 688 HB2 PRO 87 1HB PRO 87 -5.876 11.648 0.708 689 HB3 PRO 87 2HB PRO 87 -5.201 12.796 1.871 690 HG2 PRO 87 1HG PRO 87 -8.052 12.379 1.057 691 HG3 PRO 87 2HG PRO 87 -7.376 12.634 2.677 692 HD2 PRO 87 1HD PRO 87 -8.566 14.616 1.267 693 HD3 PRO 87 2HD PRO 87 -7.227 14.916 2.393 694 H GLY 88 H GLY 88 -4.185 12.786 -1.796 695 HA2 GLY 88 1HA GLY 88 -5.863 12.777 -4.043 696 HA3 GLY 88 2HA GLY 88 -4.381 11.846 -3.880 697 HA PRO 89 HA PRO 89 -8.336 9.171 -3.791 698 HB2 PRO 89 1HB PRO 89 -8.289 8.264 -6.350 699 HB3 PRO 89 2HB PRO 89 -9.169 9.718 -5.862 700 HG2 PRO 89 1HG PRO 89 -6.479 9.476 -7.153 701 HG3 PRO 89 2HG PRO 89 -7.794 10.611 -7.510 702 HD2 PRO 89 1HD PRO 89 -5.638 11.301 -6.024 703 HD3 PRO 89 2HD PRO 89 -7.249 11.993 -5.748 704 H PHE 90 H PHE 90 -8.204 6.997 -3.420 705 HA PHE 90 HA PHE 90 -5.607 5.836 -3.230 706 HB2 PHE 90 1HB PHE 90 -8.381 5.015 -2.552 707 HB3 PHE 90 2HB PHE 90 -7.203 3.727 -2.780 708 HD1 PHE 90 2HD PHE 90 -5.174 3.652 -1.349 709 HD2 PHE 90 1HD PHE 90 -8.370 6.365 -0.617 710 HE1 PHE 90 2HE PHE 90 -4.349 4.000 0.942 711 HE2 PHE 90 1HE PHE 90 -7.550 6.719 1.676 712 HZ PHE 90 HZ PHE 90 -5.537 5.534 2.458 713 H SER 91 H SER 91 -4.607 4.360 -4.499 714 HA SER 91 HA SER 91 -5.204 4.190 -7.208 715 HB2 SER 91 1HB SER 91 -3.523 2.412 -7.312 716 HB3 SER 91 2HB SER 91 -2.975 3.713 -6.255 717 HG SER 91 HG SER 91 -2.634 1.653 -5.321 718 HA PRO 92 HA PRO 92 -8.329 1.138 -7.638 719 HB2 PRO 92 1HB PRO 92 -7.623 -0.003 -9.998 720 HB3 PRO 92 2HB PRO 92 -8.317 1.618 -9.885 721 HG2 PRO 92 1HG PRO 92 -5.452 0.801 -10.178 722 HG3 PRO 92 2HG PRO 92 -6.333 2.103 -10.997 723 HD2 PRO 92 1HD PRO 92 -4.693 2.555 -8.891 724 HD3 PRO 92 2HD PRO 92 -6.141 3.534 -9.201 725 H ASP 93 H ASP 93 -8.657 -0.831 -6.810 726 HA ASP 93 HA ASP 93 -6.871 -2.412 -5.575 727 HB2 ASP 93 1HB ASP 93 -9.061 -3.724 -7.165 728 HB3 ASP 93 2HB ASP 93 -8.456 -4.145 -5.565 729 H HIS 94 H HIS 94 -4.970 -3.130 -6.276 730 HA HIS 94 HA HIS 94 -4.654 -3.989 -9.043 731 HB2 HIS 94 1HB HIS 94 -2.795 -3.251 -6.827 732 HB3 HIS 94 2HB HIS 94 -2.199 -4.314 -8.098 733 HD1 HIS 94 1HD HIS 94 -3.871 -0.913 -7.787 734 HD2 HIS 94 2HD HIS 94 -1.271 -2.992 -10.274 735 HE1 HIS 94 1HE HIS 94 -3.115 0.753 -9.513 736 HE2 HIS 94 2HE HIS 94 -1.610 -0.550 -11.056 737 H GLU 95 H GLU 95 -5.296 -6.013 -9.431 738 HA GLU 95 HA GLU 95 -5.333 -8.077 -7.489 739 HB2 GLU 95 1HB GLU 95 -5.798 -7.914 -10.431 740 HB3 GLU 95 2HB GLU 95 -5.539 -9.500 -9.717 741 HG2 GLU 95 1HG GLU 95 -7.498 -9.455 -8.552 742 HG3 GLU 95 2HG GLU 95 -7.523 -7.696 -8.445 743 H PHE 96 H PHE 96 -3.537 -8.892 -6.631 744 HA PHE 96 HA PHE 96 -1.296 -9.527 -8.436 745 HB2 PHE 96 1HB PHE 96 -1.263 -8.613 -5.559 746 HB3 PHE 96 2HB PHE 96 0.139 -9.327 -6.350 747 HD1 PHE 96 1HD PHE 96 0.509 -8.195 -8.821 748 HD2 PHE 96 2HD PHE 96 -1.203 -6.338 -5.396 749 HE1 PHE 96 1HE PHE 96 1.133 -5.988 -9.711 750 HE2 PHE 96 2HE PHE 96 -0.584 -4.127 -6.280 751 HZ PHE 96 HZ PHE 96 0.585 -3.950 -8.441 752 H ARG 97 H ARG 97 -0.144 -11.462 -8.049 753 HA ARG 97 HA ARG 97 -1.493 -13.392 -6.284 754 HB2 ARG 97 1HB ARG 97 -2.006 -13.616 -8.801 755 HB3 ARG 97 2HB ARG 97 -0.346 -14.179 -8.951 756 HG2 ARG 97 1HG ARG 97 -0.757 -16.125 -7.785 757 HG3 ARG 97 2HG ARG 97 -2.167 -15.456 -6.962 758 HD2 ARG 97 1HD ARG 97 -2.923 -17.046 -8.587 759 HD3 ARG 97 2HD ARG 97 -3.353 -15.431 -9.147 760 HE ARG 97 HE ARG 97 -1.030 -15.809 -10.395 761 HH11 ARG 97 2HH1 ARG 97 -3.792 -17.899 -10.037 762 HH12 ARG 97 1HH1 ARG 97 -3.540 -18.708 -11.548 763 HH21 ARG 97 2HH2 ARG 97 -0.688 -16.867 -12.387 764 HH22 ARG 97 1HH2 ARG 97 -1.773 -18.120 -12.884 765 H THR 98 H THR 98 -0.149 -14.258 -4.860 766 HA THR 98 HA THR 98 2.645 -13.759 -4.909 767 HB THR 98 HB THR 98 2.757 -15.211 -2.921 768 HG1 THR 98 1HG THR 98 1.086 -16.459 -2.338 769 HG21 THR 98 1HG2 THR 98 2.221 -13.073 -2.257 770 HG22 THR 98 2HG2 THR 98 0.832 -13.963 -1.633 771 HG23 THR 98 3HG2 THR 98 0.698 -13.064 -3.144 772 H SER 99 H SER 99 4.277 -15.545 -4.644 773 HA SER 99 HA SER 99 4.302 -17.157 -6.957 774 HB2 SER 99 1HB SER 99 6.344 -16.322 -5.803 775 HB3 SER 99 2HB SER 99 6.024 -17.447 -4.483 776 HG SER 99 HG SER 99 5.963 -19.003 -6.459 777 HA PRO 100 HA PRO 100 1.923 -20.615 -5.563 778 HB2 PRO 100 1HB PRO 100 2.595 -22.323 -7.563 779 HB3 PRO 100 2HB PRO 100 1.463 -20.984 -7.783 780 HG2 PRO 100 1HG PRO 100 4.367 -21.146 -8.493 781 HG3 PRO 100 2HG PRO 100 3.021 -20.473 -9.432 782 HD2 PRO 100 1HD PRO 100 4.732 -18.921 -8.019 783 HD3 PRO 100 2HD PRO 100 3.025 -18.492 -8.254 784 HA PRO 101 HA PRO 101 4.771 -23.089 -3.269 785 HB2 PRO 101 1HB PRO 101 3.140 -25.182 -2.695 786 HB3 PRO 101 2HB PRO 101 2.992 -23.605 -1.909 787 HG2 PRO 101 1HG PRO 101 1.414 -24.743 -4.185 788 HG3 PRO 101 2HG PRO 101 0.846 -23.829 -2.775 789 HD2 PRO 101 1HD PRO 101 1.183 -22.692 -5.209 790 HD3 PRO 101 2HD PRO 101 1.435 -21.800 -3.695 791 H SER 102 H SER 102 5.671 -25.324 -3.216 792 HA SER 102 HA SER 102 6.619 -26.115 -5.706 793 HB2 SER 102 1HB SER 102 6.452 -27.643 -3.102 794 HB3 SER 102 2HB SER 102 7.319 -28.232 -4.519 795 HG SER 102 HG SER 102 8.850 -26.796 -4.197 796 H GLY 103 H GLY 103 5.793 -27.278 -7.318 797 HA2 GLY 103 1HA GLY 103 3.135 -28.380 -7.063 798 HA3 GLY 103 2HA GLY 103 4.106 -28.319 -8.526 799 HA PRO 104 HA PRO 104 3.920 -32.681 -6.743 800 HB2 PRO 104 1HB PRO 104 2.600 -33.820 -8.824 801 HB3 PRO 104 2HB PRO 104 1.771 -33.108 -7.434 802 HG2 PRO 104 1HG PRO 104 2.271 -31.939 -10.144 803 HG3 PRO 104 2HG PRO 104 0.799 -31.884 -9.156 804 HD2 PRO 104 1HD PRO 104 2.528 -29.806 -9.311 805 HD3 PRO 104 2HD PRO 104 1.592 -30.163 -7.845 806 H SER 105 H SER 105 6.219 -32.476 -7.171 807 HA SER 105 HA SER 105 6.977 -33.613 -9.783 808 HB2 SER 105 1HB SER 105 7.703 -31.239 -9.493 809 HB3 SER 105 2HB SER 105 8.657 -31.742 -8.098 810 HG SER 105 HG SER 105 9.903 -33.025 -9.454 811 H SER 106 H SER 106 8.439 -33.110 -6.566 812 HA SER 106 HA SER 106 10.243 -35.135 -6.521 813 HB2 SER 106 1HB SER 106 9.843 -33.485 -4.679 814 HB3 SER 106 2HB SER 106 8.458 -34.452 -4.173 815 HG SER 106 HG SER 106 11.194 -35.170 -4.173 816 H GLY 107 H GLY 107 6.907 -35.487 -5.288 817 HA2 GLY 107 1HA GLY 107 6.567 -38.045 -6.502 818 HA3 GLY 107 2HA GLY 107 6.939 -38.203 -4.792 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.320 2.773 -19.002 2 HA2 GLY 1 1HA GLY 1 3.429 0.252 -18.626 3 HA3 GLY 1 2HA GLY 1 2.260 0.480 -17.334 4 H SER 2 H SER 2 0.219 -0.068 -17.734 5 HA SER 2 HA SER 2 -0.497 -0.972 -20.381 6 HB2 SER 2 1HB SER 2 -2.570 -1.748 -19.326 7 HB3 SER 2 2HB SER 2 -1.167 -2.260 -18.388 8 HG SER 2 HG SER 2 -2.307 0.180 -17.703 9 H SER 3 H SER 3 -2.523 -0.325 -21.420 10 HA SER 3 HA SER 3 -2.868 2.573 -21.248 11 HB2 SER 3 1HB SER 3 -2.369 1.568 -23.457 12 HB3 SER 3 2HB SER 3 -3.861 0.634 -23.353 13 HG SER 3 HG SER 3 -4.376 2.432 -24.496 14 H GLY 4 H GLY 4 -5.007 3.515 -21.335 15 HA2 GLY 4 1HA GLY 4 -7.381 2.043 -20.981 16 HA3 GLY 4 2HA GLY 4 -6.751 2.482 -19.400 17 H SER 5 H SER 5 -9.214 3.328 -20.779 18 HA SER 5 HA SER 5 -8.721 6.233 -20.737 19 HB2 SER 5 1HB SER 5 -10.602 6.450 -22.371 20 HB3 SER 5 2HB SER 5 -9.202 5.598 -23.022 21 HG SER 5 HG SER 5 -10.295 3.642 -22.639 22 H SER 6 H SER 6 -11.303 3.792 -20.444 23 HA SER 6 HA SER 6 -12.686 5.545 -18.546 24 HB2 SER 6 1HB SER 6 -14.595 3.967 -18.848 25 HB3 SER 6 2HB SER 6 -14.076 4.722 -20.354 26 HG SER 6 HG SER 6 -13.069 2.213 -19.550 27 H GLY 7 H GLY 7 -12.718 5.137 -16.428 28 HA2 GLY 7 1HA GLY 7 -12.752 3.854 -14.475 29 HA3 GLY 7 2HA GLY 7 -12.368 2.430 -15.431 30 H ALA 8 H ALA 8 -10.095 2.483 -16.410 31 HA ALA 8 HA ALA 8 -8.246 3.285 -14.273 32 HB1 ALA 8 1HB ALA 8 -7.184 1.548 -16.368 33 HB2 ALA 8 2HB ALA 8 -7.128 1.377 -14.613 34 HB3 ALA 8 3HB ALA 8 -8.560 0.863 -15.504 35 H GLU 9 H GLU 9 -8.299 5.508 -15.098 36 HA GLU 9 HA GLU 9 -6.897 5.920 -17.632 37 HB2 GLU 9 1HB GLU 9 -7.517 8.281 -17.365 38 HB3 GLU 9 2HB GLU 9 -8.923 7.229 -17.279 39 HG2 GLU 9 1HG GLU 9 -8.669 7.354 -14.754 40 HG3 GLU 9 2HG GLU 9 -7.546 8.681 -15.046 41 H SER 10 H SER 10 -5.483 8.102 -17.414 42 HA SER 10 HA SER 10 -3.069 7.478 -16.387 43 HB2 SER 10 1HB SER 10 -3.418 9.467 -17.754 44 HB3 SER 10 2HB SER 10 -4.301 10.244 -16.441 45 HG SER 10 HG SER 10 -2.475 10.687 -15.463 46 H LEU 11 H LEU 11 -2.072 7.371 -14.460 47 HA LEU 11 HA LEU 11 -3.678 8.001 -12.082 48 HB2 LEU 11 1HB LEU 11 -2.663 5.660 -12.616 49 HB3 LEU 11 2HB LEU 11 -1.168 6.380 -12.021 50 HG LEU 11 HG LEU 11 -2.029 6.621 -9.844 51 HD11 LEU 11 1HD1 LEU 11 -4.154 7.533 -10.110 52 HD12 LEU 11 2HD1 LEU 11 -4.468 5.948 -9.405 53 HD13 LEU 11 3HD1 LEU 11 -4.702 6.205 -11.134 54 HD21 LEU 11 1HD2 LEU 11 -3.382 4.153 -9.918 55 HD22 LEU 11 2HD2 LEU 11 -1.694 4.455 -9.506 56 HD23 LEU 11 3HD2 LEU 11 -2.144 4.092 -11.172 57 H SER 12 H SER 12 -2.322 8.624 -10.122 58 HA SER 12 HA SER 12 -0.736 10.930 -10.860 59 HB2 SER 12 1HB SER 12 -1.907 9.892 -8.299 60 HB3 SER 12 2HB SER 12 -0.648 11.127 -8.251 61 HG SER 12 HG SER 12 -2.113 12.527 -8.762 62 H GLY 13 H GLY 13 0.694 8.906 -11.752 63 HA2 GLY 13 1HA GLY 13 2.702 7.794 -11.619 64 HA3 GLY 13 2HA GLY 13 3.191 9.151 -10.616 65 H LEU 14 H LEU 14 0.691 6.785 -9.847 66 HA LEU 14 HA LEU 14 2.439 5.684 -7.753 67 HB2 LEU 14 1HB LEU 14 -0.350 6.748 -7.498 68 HB3 LEU 14 2HB LEU 14 0.256 5.523 -6.386 69 HG LEU 14 HG LEU 14 1.421 8.279 -6.785 70 HD11 LEU 14 1HD1 LEU 14 -0.860 7.650 -5.446 71 HD12 LEU 14 2HD1 LEU 14 0.195 9.010 -5.059 72 HD13 LEU 14 3HD1 LEU 14 0.352 7.493 -4.173 73 HD21 LEU 14 1HD2 LEU 14 2.189 5.998 -4.973 74 HD22 LEU 14 2HD2 LEU 14 2.730 7.661 -4.737 75 HD23 LEU 14 3HD2 LEU 14 3.181 6.785 -6.201 76 H SER 15 H SER 15 2.312 4.333 -10.015 77 HA SER 15 HA SER 15 0.141 2.389 -9.879 78 HB2 SER 15 1HB SER 15 1.124 1.504 -11.983 79 HB3 SER 15 2HB SER 15 0.728 3.219 -12.091 80 HG SER 15 HG SER 15 3.195 1.956 -12.116 81 H LEU 16 H LEU 16 0.370 0.750 -8.516 82 HA LEU 16 HA LEU 16 2.807 -0.065 -7.370 83 HB2 LEU 16 1HB LEU 16 0.211 -1.581 -7.593 84 HB3 LEU 16 2HB LEU 16 1.543 -1.981 -6.510 85 HG LEU 16 HG LEU 16 0.074 0.639 -6.353 86 HD11 LEU 16 1HD1 LEU 16 -0.773 -0.917 -4.233 87 HD12 LEU 16 2HD1 LEU 16 -0.853 -2.006 -5.617 88 HD13 LEU 16 3HD1 LEU 16 -1.721 -0.471 -5.652 89 HD21 LEU 16 1HD2 LEU 16 1.659 -0.882 -4.290 90 HD22 LEU 16 2HD2 LEU 16 1.010 0.752 -4.150 91 HD23 LEU 16 3HD2 LEU 16 2.314 0.415 -5.289 92 H LYS 17 H LYS 17 4.098 -1.872 -7.716 93 HA LYS 17 HA LYS 17 3.598 -3.446 -10.137 94 HB2 LYS 17 1HB LYS 17 5.579 -2.934 -11.166 95 HB3 LYS 17 2HB LYS 17 5.268 -1.401 -10.362 96 HG2 LYS 17 1HG LYS 17 6.800 -1.935 -8.606 97 HG3 LYS 17 2HG LYS 17 6.998 -3.579 -9.215 98 HD2 LYS 17 1HD LYS 17 7.601 -1.325 -11.057 99 HD3 LYS 17 2HD LYS 17 8.748 -1.662 -9.758 100 HE2 LYS 17 1HE LYS 17 8.577 -4.112 -10.576 101 HE3 LYS 17 2HE LYS 17 7.912 -3.405 -12.047 102 HZ1 LYS 17 1HZ LYS 17 10.232 -3.647 -12.357 103 HZ2 LYS 17 2HZ LYS 17 10.591 -2.924 -10.871 104 HZ3 LYS 17 3HZ LYS 17 9.951 -1.994 -12.131 105 H LEU 18 H LEU 18 4.642 -5.487 -10.181 106 HA LEU 18 HA LEU 18 5.141 -6.551 -7.522 107 HB2 LEU 18 1HB LEU 18 3.637 -7.741 -9.033 108 HB3 LEU 18 2HB LEU 18 4.946 -7.925 -10.199 109 HG LEU 18 HG LEU 18 6.144 -9.366 -8.618 110 HD11 LEU 18 1HD1 LEU 18 4.476 -10.201 -6.714 111 HD12 LEU 18 2HD1 LEU 18 3.935 -8.528 -6.838 112 HD13 LEU 18 3HD1 LEU 18 5.622 -8.883 -6.468 113 HD21 LEU 18 1HD2 LEU 18 4.057 -10.039 -10.198 114 HD22 LEU 18 2HD2 LEU 18 3.491 -10.639 -8.639 115 HD23 LEU 18 3HD2 LEU 18 5.030 -11.201 -9.295 116 H VAL 19 H VAL 19 7.169 -5.961 -6.895 117 HA VAL 19 HA VAL 19 9.438 -6.000 -8.606 118 HB VAL 19 HB VAL 19 8.973 -5.581 -5.708 119 HG11 VAL 19 1HG1 VAL 19 11.611 -6.486 -6.840 120 HG12 VAL 19 2HG1 VAL 19 11.462 -5.605 -5.319 121 HG13 VAL 19 3HG1 VAL 19 10.707 -7.189 -5.499 122 HG21 VAL 19 1HG2 VAL 19 9.110 -3.558 -6.720 123 HG22 VAL 19 2HG2 VAL 19 10.834 -3.800 -6.436 124 HG23 VAL 19 3HG2 VAL 19 10.142 -4.153 -8.020 125 H LYS 20 H LYS 20 8.605 -8.078 -5.825 126 HA LYS 20 HA LYS 20 9.884 -10.327 -7.211 127 HB2 LYS 20 1HB LYS 20 11.446 -9.282 -5.524 128 HB3 LYS 20 2HB LYS 20 10.302 -9.757 -4.275 129 HG2 LYS 20 1HG LYS 20 10.757 -12.004 -4.524 130 HG3 LYS 20 2HG LYS 20 11.363 -11.805 -6.170 131 HD2 LYS 20 1HD LYS 20 13.335 -12.110 -5.043 132 HD3 LYS 20 2HD LYS 20 13.198 -10.352 -4.960 133 HE2 LYS 20 1HE LYS 20 12.548 -10.386 -2.727 134 HE3 LYS 20 2HE LYS 20 12.047 -12.075 -2.798 135 HZ1 LYS 20 1HZ LYS 20 14.866 -11.496 -3.286 136 HZ2 LYS 20 2HZ LYS 20 14.153 -12.810 -2.495 137 HZ3 LYS 20 3HZ LYS 20 14.311 -11.327 -1.697 138 H LYS 21 H LYS 21 8.625 -12.067 -7.252 139 HA LYS 21 HA LYS 21 6.243 -12.119 -5.564 140 HB2 LYS 21 1HB LYS 21 6.067 -12.459 -8.034 141 HB3 LYS 21 2HB LYS 21 6.989 -13.945 -7.854 142 HG2 LYS 21 1HG LYS 21 5.187 -14.727 -6.269 143 HG3 LYS 21 2HG LYS 21 4.243 -13.334 -6.803 144 HD2 LYS 21 1HD LYS 21 5.415 -15.132 -8.867 145 HD3 LYS 21 2HD LYS 21 4.002 -15.690 -7.969 146 HE2 LYS 21 1HE LYS 21 2.631 -14.099 -8.871 147 HE3 LYS 21 2HE LYS 21 3.942 -12.942 -9.099 148 HZ1 LYS 21 1HZ LYS 21 3.450 -13.603 -11.239 149 HZ2 LYS 21 2HZ LYS 21 3.163 -15.213 -10.807 150 HZ3 LYS 21 3HZ LYS 21 4.746 -14.620 -10.855 151 H GLU 22 H GLU 22 6.139 -13.323 -3.792 152 HA GLU 22 HA GLU 22 7.700 -15.797 -3.641 153 HB2 GLU 22 1HB GLU 22 7.839 -13.477 -1.742 154 HB3 GLU 22 2HB GLU 22 8.135 -15.112 -1.167 155 HG2 GLU 22 1HG GLU 22 9.618 -13.939 -3.495 156 HG3 GLU 22 2HG GLU 22 10.155 -13.736 -1.828 157 HA PRO 23 HA PRO 23 4.101 -17.548 -1.846 158 HB2 PRO 23 1HB PRO 23 5.163 -19.346 -0.111 159 HB3 PRO 23 2HB PRO 23 5.204 -19.564 -1.865 160 HG2 PRO 23 1HG PRO 23 7.345 -18.558 -0.031 161 HG3 PRO 23 2HG PRO 23 7.476 -19.692 -1.388 162 HD2 PRO 23 1HD PRO 23 8.165 -17.082 -1.599 163 HD3 PRO 23 2HD PRO 23 7.495 -18.006 -2.959 164 H ARG 24 H ARG 24 6.596 -16.630 0.512 165 HA ARG 24 HA ARG 24 4.440 -15.841 2.361 166 HB2 ARG 24 1HB ARG 24 7.211 -16.863 3.006 167 HB3 ARG 24 2HB ARG 24 6.080 -16.231 4.196 168 HG2 ARG 24 1HG ARG 24 4.560 -18.026 3.816 169 HG3 ARG 24 2HG ARG 24 5.491 -18.590 2.427 170 HD2 ARG 24 1HD ARG 24 6.171 -20.042 4.091 171 HD3 ARG 24 2HD ARG 24 7.429 -18.807 4.137 172 HE ARG 24 HE ARG 24 5.443 -19.354 6.166 173 HH11 ARG 24 2HH1 ARG 24 7.766 -17.088 4.905 174 HH12 ARG 24 1HH1 ARG 24 7.943 -16.236 6.403 175 HH21 ARG 24 2HH2 ARG 24 5.667 -18.240 8.144 176 HH22 ARG 24 1HH2 ARG 24 6.749 -16.893 8.245 177 H GLN 25 H GLN 25 5.720 -14.265 0.237 178 HA GLN 25 HA GLN 25 6.227 -11.901 1.768 179 HB2 GLN 25 1HB GLN 25 8.445 -13.032 1.842 180 HB3 GLN 25 2HB GLN 25 8.495 -12.977 0.085 181 HG2 GLN 25 1HG GLN 25 8.225 -10.450 0.336 182 HG3 GLN 25 2HG GLN 25 8.632 -10.706 2.032 183 HE21 GLN 25 1HE2 GLN 25 10.664 -10.236 2.412 184 HE22 GLN 25 2HE2 GLN 25 12.004 -10.572 1.376 185 H LEU 26 H LEU 26 6.311 -9.992 0.467 186 HA LEU 26 HA LEU 26 5.934 -10.252 -2.394 187 HB2 LEU 26 1HB LEU 26 3.759 -9.473 -0.505 188 HB3 LEU 26 2HB LEU 26 3.827 -8.729 -2.101 189 HG LEU 26 HG LEU 26 3.605 -11.691 -1.567 190 HD11 LEU 26 1HD1 LEU 26 1.397 -10.404 -2.933 191 HD12 LEU 26 2HD1 LEU 26 1.639 -9.765 -1.307 192 HD13 LEU 26 3HD1 LEU 26 1.390 -11.495 -1.547 193 HD21 LEU 26 1HD2 LEU 26 4.214 -10.120 -3.937 194 HD22 LEU 26 2HD2 LEU 26 2.809 -11.165 -4.152 195 HD23 LEU 26 3HD2 LEU 26 4.357 -11.856 -3.661 196 H GLU 27 H GLU 27 7.239 -8.759 -3.202 197 HA GLU 27 HA GLU 27 7.584 -6.233 -1.736 198 HB2 GLU 27 1HB GLU 27 9.580 -7.766 -2.270 199 HB3 GLU 27 2HB GLU 27 9.385 -7.228 -3.932 200 HG2 GLU 27 1HG GLU 27 9.920 -5.011 -3.395 201 HG3 GLU 27 2HG GLU 27 9.703 -5.289 -1.668 202 H LEU 28 H LEU 28 7.318 -4.274 -2.748 203 HA LEU 28 HA LEU 28 6.641 -4.201 -5.577 204 HB2 LEU 28 1HB LEU 28 4.759 -2.814 -3.736 205 HB3 LEU 28 2HB LEU 28 4.498 -3.406 -5.376 206 HG LEU 28 HG LEU 28 4.852 -5.333 -3.110 207 HD11 LEU 28 1HD1 LEU 28 3.034 -3.501 -2.716 208 HD12 LEU 28 2HD1 LEU 28 2.662 -5.200 -2.430 209 HD13 LEU 28 3HD1 LEU 28 2.131 -4.420 -3.920 210 HD21 LEU 28 1HD2 LEU 28 4.027 -6.879 -4.551 211 HD22 LEU 28 2HD2 LEU 28 4.707 -5.763 -5.736 212 HD23 LEU 28 3HD2 LEU 28 2.981 -5.722 -5.373 213 H THR 29 H THR 29 6.489 -1.986 -6.410 214 HA THR 29 HA THR 29 7.489 0.148 -4.727 215 HB THR 29 HB THR 29 9.560 -1.012 -5.446 216 HG1 THR 29 1HG THR 29 9.152 1.469 -5.357 217 HG21 THR 29 1HG2 THR 29 8.756 -0.170 -8.232 218 HG22 THR 29 2HG2 THR 29 8.684 -1.824 -7.625 219 HG23 THR 29 3HG2 THR 29 10.238 -1.002 -7.764 220 H TRP 30 H TRP 30 6.882 2.130 -5.443 221 HA TRP 30 HA TRP 30 5.733 2.307 -8.148 222 HB2 TRP 30 1HB TRP 30 4.017 3.881 -7.142 223 HB3 TRP 30 2HB TRP 30 3.839 2.182 -6.713 224 HD1 TRP 30 HD TRP 30 4.666 5.581 -5.206 225 HE1 TRP 30 1HE TRP 30 4.643 5.382 -2.640 226 HE3 TRP 30 3HE TRP 30 4.243 0.504 -4.790 227 HZ2 TRP 30 2HZ TRP 30 4.469 3.342 -0.697 228 HZ3 TRP 30 3HZ TRP 30 4.156 -0.492 -2.542 229 HH2 TRP 30 HH TRP 30 4.267 0.899 -0.539 230 H ALA 31 H ALA 31 7.100 3.589 -9.219 231 HA ALA 31 HA ALA 31 7.580 6.269 -8.190 232 HB1 ALA 31 1HB ALA 31 9.487 4.630 -7.539 233 HB2 ALA 31 2HB ALA 31 9.955 4.786 -9.233 234 HB3 ALA 31 3HB ALA 31 9.889 6.215 -8.202 235 H GLY 32 H GLY 32 8.024 7.802 -9.793 236 HA2 GLY 32 1HA GLY 32 8.719 7.380 -12.427 237 HA3 GLY 32 2HA GLY 32 6.974 7.178 -12.373 238 H SER 33 H SER 33 5.858 8.939 -12.842 239 HA SER 33 HA SER 33 6.782 11.389 -13.491 240 HB2 SER 33 1HB SER 33 4.476 10.873 -13.875 241 HB3 SER 33 2HB SER 33 4.164 10.695 -12.149 242 HG SER 33 HG SER 33 4.359 12.877 -11.889 243 H ARG 34 H ARG 34 6.929 13.441 -12.465 244 HA ARG 34 HA ARG 34 6.808 13.646 -9.600 245 HB2 ARG 34 1HB ARG 34 9.102 14.007 -9.140 246 HB3 ARG 34 2HB ARG 34 9.032 12.531 -10.092 247 HG2 ARG 34 1HG ARG 34 9.916 13.558 -11.981 248 HG3 ARG 34 2HG ARG 34 9.524 15.177 -11.399 249 HD2 ARG 34 1HD ARG 34 11.578 13.339 -10.175 250 HD3 ARG 34 2HD ARG 34 11.937 14.669 -11.276 251 HE ARG 34 HE ARG 34 10.438 15.499 -8.982 252 HH11 ARG 34 2HH1 ARG 34 13.630 14.782 -10.173 253 HH12 ARG 34 1HH1 ARG 34 14.430 15.792 -9.015 254 HH21 ARG 34 2HH2 ARG 34 11.480 16.832 -7.453 255 HH22 ARG 34 1HH2 ARG 34 13.207 16.957 -7.468 256 HA PRO 35 HA PRO 35 5.971 17.816 -10.733 257 HB2 PRO 35 1HB PRO 35 6.377 19.007 -8.327 258 HB3 PRO 35 2HB PRO 35 4.959 18.012 -8.679 259 HG2 PRO 35 1HG PRO 35 7.472 17.282 -7.226 260 HG3 PRO 35 2HG PRO 35 5.790 16.890 -6.820 261 HD2 PRO 35 1HD PRO 35 7.450 15.120 -8.023 262 HD3 PRO 35 2HD PRO 35 5.701 15.148 -8.328 263 H ARG 36 H ARG 36 6.963 20.064 -10.438 264 HA ARG 36 HA ARG 36 9.586 20.044 -11.468 265 HB2 ARG 36 1HB ARG 36 9.476 22.463 -11.345 266 HB3 ARG 36 2HB ARG 36 7.938 21.832 -11.917 267 HG2 ARG 36 1HG ARG 36 6.874 22.271 -9.868 268 HG3 ARG 36 2HG ARG 36 8.410 22.518 -9.035 269 HD2 ARG 36 1HD ARG 36 7.713 24.688 -9.340 270 HD3 ARG 36 2HD ARG 36 8.708 24.443 -10.775 271 HE ARG 36 HE ARG 36 6.816 24.558 -12.081 272 HH11 ARG 36 2HH1 ARG 36 5.925 24.327 -8.723 273 HH12 ARG 36 1HH1 ARG 36 4.254 24.688 -9.007 274 HH21 ARG 36 2HH2 ARG 36 4.619 25.034 -12.467 275 HH22 ARG 36 1HH2 ARG 36 3.512 25.089 -11.137 276 H ASN 37 H ASN 37 8.307 20.599 -8.231 277 HA ASN 37 HA ASN 37 11.070 20.543 -7.213 278 HB2 ASN 37 1HB ASN 37 8.762 22.155 -6.100 279 HB3 ASN 37 2HB ASN 37 10.378 22.063 -5.405 280 HD21 ASN 37 1HD2 ASN 37 9.963 24.465 -5.716 281 HD22 ASN 37 2HD2 ASN 37 10.531 25.148 -7.199 282 HA PRO 38 HA PRO 38 9.776 17.096 -4.800 283 HB2 PRO 38 1HB PRO 38 11.656 17.208 -2.846 284 HB3 PRO 38 2HB PRO 38 12.011 16.666 -4.490 285 HG2 PRO 38 1HG PRO 38 12.486 19.341 -3.234 286 HG3 PRO 38 2HG PRO 38 13.550 18.398 -4.294 287 HD2 PRO 38 1HD PRO 38 12.063 20.474 -5.196 288 HD3 PRO 38 2HD PRO 38 12.446 19.063 -6.204 289 H GLY 39 H GLY 39 10.237 20.242 -3.289 290 HA2 GLY 39 1HA GLY 39 8.985 21.304 -1.673 291 HA3 GLY 39 2HA GLY 39 7.848 19.966 -1.752 292 H GLY 40 H GLY 40 7.535 19.579 0.386 293 HA2 GLY 40 1HA GLY 40 9.885 19.245 2.108 294 HA3 GLY 40 2HA GLY 40 8.219 19.387 2.650 295 H ASN 41 H ASN 41 9.145 17.506 3.969 296 HA ASN 41 HA ASN 41 9.405 14.985 2.624 297 HB2 ASN 41 1HB ASN 41 9.208 15.747 5.539 298 HB3 ASN 41 2HB ASN 41 9.368 14.080 4.995 299 HD21 ASN 41 1HD2 ASN 41 11.311 13.350 4.251 300 HD22 ASN 41 2HD2 ASN 41 12.769 14.271 4.341 301 H LEU 42 H LEU 42 7.727 13.950 1.782 302 HA LEU 42 HA LEU 42 5.093 14.232 3.050 303 HB2 LEU 42 1HB LEU 42 6.009 13.656 0.274 304 HB3 LEU 42 2HB LEU 42 4.441 13.045 0.796 305 HG LEU 42 HG LEU 42 5.077 15.944 1.140 306 HD11 LEU 42 1HD1 LEU 42 5.505 14.909 -1.283 307 HD12 LEU 42 2HD1 LEU 42 4.792 16.503 -1.034 308 HD13 LEU 42 3HD1 LEU 42 3.755 15.117 -1.372 309 HD21 LEU 42 1HD2 LEU 42 2.541 15.875 0.432 310 HD22 LEU 42 2HD2 LEU 42 3.038 15.519 2.086 311 HD23 LEU 42 3HD2 LEU 42 2.671 14.201 0.972 312 H SER 43 H SER 43 3.681 12.187 2.681 313 HA SER 43 HA SER 43 5.269 9.786 3.299 314 HB2 SER 43 1HB SER 43 3.106 9.243 4.748 315 HB3 SER 43 2HB SER 43 4.445 10.180 5.412 316 HG SER 43 HG SER 43 2.463 11.586 4.057 317 H TYR 44 H TYR 44 3.488 7.852 3.380 318 HA TYR 44 HA TYR 44 1.668 8.083 1.113 319 HB2 TYR 44 1HB TYR 44 3.806 5.947 1.232 320 HB3 TYR 44 2HB TYR 44 2.574 6.122 -0.013 321 HD1 TYR 44 2HD TYR 44 2.568 8.536 -1.166 322 HD2 TYR 44 1HD TYR 44 5.914 6.751 0.762 323 HE1 TYR 44 2HE TYR 44 4.078 9.978 -2.465 324 HE2 TYR 44 1HE TYR 44 7.434 8.189 -0.530 325 HH TYR 44 HH TYR 44 7.148 9.451 -2.963 326 H GLU 45 H GLU 45 -0.126 6.856 1.325 327 HA GLU 45 HA GLU 45 -0.327 5.223 3.748 328 HB2 GLU 45 1HB GLU 45 -1.967 7.159 2.972 329 HB3 GLU 45 2HB GLU 45 -2.697 5.852 2.050 330 HG2 GLU 45 1HG GLU 45 -3.410 4.742 3.919 331 HG3 GLU 45 2HG GLU 45 -2.147 5.426 4.941 332 H LEU 46 H LEU 46 -0.216 3.091 3.600 333 HA LEU 46 HA LEU 46 -0.851 1.823 1.019 334 HB2 LEU 46 1HB LEU 46 1.503 1.711 2.232 335 HB3 LEU 46 2HB LEU 46 0.714 0.400 3.107 336 HG LEU 46 HG LEU 46 2.011 -0.486 1.271 337 HD11 LEU 46 1HD1 LEU 46 -0.648 -1.041 1.780 338 HD12 LEU 46 2HD1 LEU 46 0.479 -2.048 0.872 339 HD13 LEU 46 3HD1 LEU 46 -0.569 -0.912 0.023 340 HD21 LEU 46 1HD2 LEU 46 2.276 0.936 -0.450 341 HD22 LEU 46 2HD2 LEU 46 0.705 1.698 -0.199 342 HD23 LEU 46 3HD2 LEU 46 0.814 0.167 -1.068 343 H HIS 47 H HIS 47 -2.469 0.397 0.922 344 HA HIS 47 HA HIS 47 -3.501 -0.735 3.432 345 HB2 HIS 47 1HB HIS 47 -4.894 1.199 2.573 346 HB3 HIS 47 2HB HIS 47 -5.272 0.201 1.172 347 HD1 HIS 47 1HD HIS 47 -7.587 1.075 2.861 348 HD2 HIS 47 2HD HIS 47 -5.463 -2.415 3.616 349 HE1 HIS 47 1HE HIS 47 -9.148 -0.390 4.181 350 HE2 HIS 47 2HE HIS 47 -7.811 -2.460 4.700 351 H VAL 48 H VAL 48 -2.993 -2.829 3.255 352 HA VAL 48 HA VAL 48 -3.326 -4.176 0.673 353 HB VAL 48 HB VAL 48 -1.978 -5.124 3.206 354 HG11 VAL 48 1HG1 VAL 48 -2.682 -7.094 2.215 355 HG12 VAL 48 2HG1 VAL 48 -2.507 -6.454 0.579 356 HG13 VAL 48 3HG1 VAL 48 -1.076 -6.876 1.521 357 HG21 VAL 48 1HG2 VAL 48 -0.165 -4.069 2.479 358 HG22 VAL 48 2HG2 VAL 48 -0.238 -4.963 0.961 359 HG23 VAL 48 3HG2 VAL 48 -1.086 -3.425 1.120 360 H LEU 49 H LEU 49 -4.758 -5.807 0.345 361 HA LEU 49 HA LEU 49 -6.466 -6.581 2.616 362 HB2 LEU 49 1HB LEU 49 -7.372 -6.200 -0.232 363 HB3 LEU 49 2HB LEU 49 -8.382 -6.626 1.148 364 HG LEU 49 HG LEU 49 -7.934 -4.406 2.126 365 HD11 LEU 49 1HD1 LEU 49 -6.074 -3.392 1.418 366 HD12 LEU 49 2HD1 LEU 49 -7.056 -2.853 0.056 367 HD13 LEU 49 3HD1 LEU 49 -6.047 -4.291 -0.099 368 HD21 LEU 49 1HD2 LEU 49 -9.863 -4.937 0.552 369 HD22 LEU 49 2HD2 LEU 49 -8.944 -4.080 -0.685 370 HD23 LEU 49 3HD2 LEU 49 -9.458 -3.235 0.776 371 H ASN 50 H ASN 50 -7.583 -8.665 2.312 372 HA ASN 50 HA ASN 50 -6.431 -10.482 0.363 373 HB2 ASN 50 1HB ASN 50 -4.935 -10.407 2.461 374 HB3 ASN 50 2HB ASN 50 -6.255 -11.245 3.271 375 HD21 ASN 50 1HD2 ASN 50 -4.956 -13.052 3.618 376 HD22 ASN 50 2HD2 ASN 50 -4.561 -14.149 2.344 377 H GLN 51 H GLN 51 -7.422 -12.718 0.612 378 HA GLN 51 HA GLN 51 -10.047 -12.806 0.191 379 HB2 GLN 51 1HB GLN 51 -8.210 -14.726 0.528 380 HB3 GLN 51 2HB GLN 51 -9.108 -14.947 2.024 381 HG2 GLN 51 1HG GLN 51 -11.155 -14.855 0.315 382 HG3 GLN 51 2HG GLN 51 -9.909 -15.470 -0.769 383 HE21 GLN 51 1HE2 GLN 51 -9.213 -17.535 -0.560 384 HE22 GLN 51 2HE2 GLN 51 -9.866 -18.665 0.572 385 H ASP 52 H ASP 52 -8.815 -13.498 3.468 386 HA ASP 52 HA ASP 52 -11.199 -12.155 4.551 387 HB2 ASP 52 1HB ASP 52 -10.155 -14.894 5.141 388 HB3 ASP 52 2HB ASP 52 -10.920 -13.980 6.438 389 H GLU 53 H GLU 53 -8.367 -11.332 4.177 390 HA GLU 53 HA GLU 53 -7.896 -10.492 6.940 391 HB2 GLU 53 1HB GLU 53 -5.999 -12.013 5.202 392 HB3 GLU 53 2HB GLU 53 -5.355 -10.804 6.304 393 HG2 GLU 53 1HG GLU 53 -7.180 -13.007 7.210 394 HG3 GLU 53 2HG GLU 53 -5.427 -13.184 7.143 395 H GLU 54 H GLU 54 -7.929 -8.352 6.917 396 HA GLU 54 HA GLU 54 -6.693 -6.952 4.637 397 HB2 GLU 54 1HB GLU 54 -9.016 -6.552 4.434 398 HB3 GLU 54 2HB GLU 54 -9.205 -6.305 6.164 399 HG2 GLU 54 1HG GLU 54 -7.517 -4.316 5.669 400 HG3 GLU 54 2HG GLU 54 -8.251 -4.444 4.072 401 H TRP 55 H TRP 55 -5.085 -5.609 5.126 402 HA TRP 55 HA TRP 55 -4.982 -4.321 7.735 403 HB2 TRP 55 1HB TRP 55 -2.874 -5.151 8.375 404 HB3 TRP 55 2HB TRP 55 -3.754 -6.572 7.822 405 HD1 TRP 55 HD TRP 55 -0.924 -4.207 6.730 406 HE1 TRP 55 1HE TRP 55 0.509 -5.417 4.968 407 HE3 TRP 55 3HE TRP 55 -3.774 -8.406 6.112 408 HZ2 TRP 55 2HZ TRP 55 0.440 -7.832 3.508 409 HZ3 TRP 55 3HZ TRP 55 -3.020 -10.118 4.513 410 HH2 TRP 55 HH TRP 55 -0.957 -9.835 3.239 411 H HIS 56 H HIS 56 -3.929 -2.376 7.721 412 HA HIS 56 HA HIS 56 -2.617 -1.584 5.207 413 HB2 HIS 56 1HB HIS 56 -3.605 0.747 5.738 414 HB3 HIS 56 2HB HIS 56 -4.667 -0.469 5.035 415 HD1 HIS 56 1HD HIS 56 -6.745 0.700 6.049 416 HD2 HIS 56 2HD HIS 56 -3.999 -0.644 8.862 417 HE1 HIS 56 1HE HIS 56 -7.940 0.808 8.259 418 HE2 HIS 56 2HE HIS 56 -6.231 0.071 9.957 419 H GLN 57 H GLN 57 -1.000 0.040 5.390 420 HA GLN 57 HA GLN 57 -0.154 0.853 8.044 421 HB2 GLN 57 1HB GLN 57 2.171 0.009 7.654 422 HB3 GLN 57 2HB GLN 57 0.974 -1.253 7.911 423 HG2 GLN 57 1HG GLN 57 1.030 -1.939 5.705 424 HG3 GLN 57 2HG GLN 57 1.689 -0.405 5.139 425 HE21 GLN 57 1HE2 GLN 57 2.646 -3.081 4.617 426 HE22 GLN 57 2HE2 GLN 57 4.267 -3.150 5.210 427 H MET 58 H MET 58 0.825 2.800 8.034 428 HA MET 58 HA MET 58 1.002 4.203 5.517 429 HB2 MET 58 1HB MET 58 0.191 5.079 7.856 430 HB3 MET 58 2HB MET 58 1.904 5.379 8.117 431 HG2 MET 58 1HG MET 58 1.867 6.672 5.942 432 HG3 MET 58 2HG MET 58 0.110 6.568 6.028 433 HE1 MET 58 1HE MET 58 3.223 8.014 6.873 434 HE2 MET 58 2HE MET 58 2.452 9.586 6.667 435 HE3 MET 58 3HE MET 58 3.039 9.093 8.256 436 H VAL 59 H VAL 59 2.762 4.253 4.299 437 HA VAL 59 HA VAL 59 5.382 3.844 5.588 438 HB VAL 59 HB VAL 59 6.189 2.963 3.447 439 HG11 VAL 59 1HG1 VAL 59 3.858 1.244 3.724 440 HG12 VAL 59 2HG1 VAL 59 5.560 0.903 4.037 441 HG13 VAL 59 3HG1 VAL 59 4.574 1.682 5.274 442 HG21 VAL 59 1HG2 VAL 59 3.516 3.839 2.556 443 HG22 VAL 59 2HG2 VAL 59 5.041 3.766 1.672 444 HG23 VAL 59 3HG2 VAL 59 4.086 2.302 1.906 445 H LEU 60 H LEU 60 7.075 5.186 5.066 446 HA LEU 60 HA LEU 60 6.328 7.731 3.873 447 HB2 LEU 60 1HB LEU 60 8.951 6.930 5.118 448 HB3 LEU 60 2HB LEU 60 8.405 8.565 4.752 449 HG LEU 60 HG LEU 60 7.004 6.802 6.748 450 HD11 LEU 60 1HD1 LEU 60 9.575 7.494 7.090 451 HD12 LEU 60 2HD1 LEU 60 8.415 7.376 8.412 452 HD13 LEU 60 3HD1 LEU 60 8.788 8.948 7.704 453 HD21 LEU 60 1HD2 LEU 60 6.212 8.983 7.594 454 HD22 LEU 60 2HD2 LEU 60 5.700 8.665 5.937 455 HD23 LEU 60 3HD2 LEU 60 7.033 9.777 6.251 456 H GLU 61 H GLU 61 8.140 4.892 3.102 457 HA GLU 61 HA GLU 61 9.528 6.178 0.889 458 HB2 GLU 61 1HB GLU 61 10.577 3.979 0.550 459 HB3 GLU 61 2HB GLU 61 10.767 4.545 2.204 460 HG2 GLU 61 1HG GLU 61 8.572 3.121 2.563 461 HG3 GLU 61 2HG GLU 61 9.182 2.276 1.141 462 HA PRO 62 HA PRO 62 6.635 5.102 -2.232 463 HB2 PRO 62 1HB PRO 62 8.289 4.692 -4.346 464 HB3 PRO 62 2HB PRO 62 7.951 6.297 -3.688 465 HG2 PRO 62 1HG PRO 62 10.312 4.517 -3.221 466 HG3 PRO 62 2HG PRO 62 10.269 6.266 -3.511 467 HD2 PRO 62 1HD PRO 62 10.553 5.207 -1.035 468 HD3 PRO 62 2HD PRO 62 9.711 6.742 -1.326 469 H ARG 63 H ARG 63 8.603 2.876 -0.820 470 HA ARG 63 HA ARG 63 7.500 0.687 -2.455 471 HB2 ARG 63 1HB ARG 63 9.496 -0.634 -1.935 472 HB3 ARG 63 2HB ARG 63 9.919 0.849 -2.780 473 HG2 ARG 63 1HG ARG 63 10.384 1.837 -0.482 474 HG3 ARG 63 2HG ARG 63 10.306 0.179 0.116 475 HD2 ARG 63 1HD ARG 63 12.074 -0.454 -1.473 476 HD3 ARG 63 2HD ARG 63 12.168 1.221 -2.016 477 HE ARG 63 HE ARG 63 12.590 1.445 0.630 478 HH11 ARG 63 2HH1 ARG 63 13.990 -0.610 -1.807 479 HH12 ARG 63 1HH1 ARG 63 15.527 -0.722 -1.015 480 HH21 ARG 63 2HH2 ARG 63 14.609 1.304 1.683 481 HH22 ARG 63 1HH2 ARG 63 15.878 0.366 0.970 482 H VAL 64 H VAL 64 7.358 -1.403 -1.221 483 HA VAL 64 HA VAL 64 7.077 -1.145 1.657 484 HB VAL 64 HB VAL 64 4.893 -0.384 0.886 485 HG11 VAL 64 1HG1 VAL 64 3.688 -1.337 -0.756 486 HG12 VAL 64 2HG1 VAL 64 5.230 -2.058 -1.221 487 HG13 VAL 64 3HG1 VAL 64 4.086 -2.975 -0.238 488 HG21 VAL 64 1HG2 VAL 64 5.013 -3.102 2.160 489 HG22 VAL 64 2HG2 VAL 64 4.797 -1.533 2.936 490 HG23 VAL 64 3HG2 VAL 64 3.497 -2.223 1.964 491 H LEU 65 H LEU 65 7.517 -3.013 2.678 492 HA LEU 65 HA LEU 65 7.840 -5.415 1.011 493 HB2 LEU 65 1HB LEU 65 9.785 -4.291 2.334 494 HB3 LEU 65 2HB LEU 65 9.061 -5.102 3.721 495 HG LEU 65 HG LEU 65 10.970 -6.326 2.702 496 HD11 LEU 65 1HD1 LEU 65 10.022 -8.128 3.576 497 HD12 LEU 65 2HD1 LEU 65 8.968 -8.294 2.172 498 HD13 LEU 65 3HD1 LEU 65 8.465 -7.301 3.540 499 HD21 LEU 65 1HD2 LEU 65 9.194 -7.112 0.441 500 HD22 LEU 65 2HD2 LEU 65 10.953 -7.152 0.561 501 HD23 LEU 65 3HD2 LEU 65 10.119 -5.615 0.326 502 H LEU 66 H LEU 66 6.092 -6.668 1.180 503 HA LEU 66 HA LEU 66 4.683 -6.871 3.728 504 HB2 LEU 66 1HB LEU 66 3.990 -8.117 1.074 505 HB3 LEU 66 2HB LEU 66 2.952 -8.008 2.494 506 HG LEU 66 HG LEU 66 3.925 -5.628 0.918 507 HD11 LEU 66 1HD1 LEU 66 2.522 -6.798 -0.561 508 HD12 LEU 66 2HD1 LEU 66 1.498 -5.568 0.179 509 HD13 LEU 66 3HD1 LEU 66 1.398 -7.242 0.725 510 HD21 LEU 66 1HD2 LEU 66 2.501 -4.332 2.228 511 HD22 LEU 66 2HD2 LEU 66 3.244 -5.430 3.391 512 HD23 LEU 66 3HD2 LEU 66 1.605 -5.734 2.814 513 H THR 67 H THR 67 4.842 -8.563 5.054 514 HA THR 67 HA THR 67 6.037 -11.051 4.032 515 HB THR 67 HB THR 67 7.205 -11.307 6.235 516 HG1 THR 67 1HG THR 67 5.925 -9.713 7.358 517 HG21 THR 67 1HG2 THR 67 9.089 -10.017 5.617 518 HG22 THR 67 2HG2 THR 67 8.091 -8.804 4.814 519 HG23 THR 67 3HG2 THR 67 8.268 -10.409 4.107 520 H LYS 68 H LYS 68 5.787 -12.837 5.787 521 HA LYS 68 HA LYS 68 4.389 -14.223 6.925 522 HB2 LYS 68 1HB LYS 68 3.670 -11.528 7.963 523 HB3 LYS 68 2HB LYS 68 2.580 -12.857 8.335 524 HG2 LYS 68 1HG LYS 68 4.745 -14.072 9.100 525 HG3 LYS 68 2HG LYS 68 5.411 -12.439 9.179 526 HD2 LYS 68 1HD LYS 68 3.752 -11.761 10.757 527 HD3 LYS 68 2HD LYS 68 2.852 -13.264 10.540 528 HE2 LYS 68 1HE LYS 68 4.113 -13.317 12.617 529 HE3 LYS 68 2HE LYS 68 4.735 -14.518 11.486 530 HZ1 LYS 68 1HZ LYS 68 5.973 -11.859 11.544 531 HZ2 LYS 68 2HZ LYS 68 6.661 -13.357 11.169 532 HZ3 LYS 68 3HZ LYS 68 6.346 -12.953 12.780 533 H LEU 69 H LEU 69 3.759 -13.784 4.265 534 HA LEU 69 HA LEU 69 0.846 -13.495 4.182 535 HB2 LEU 69 1HB LEU 69 2.786 -13.783 1.895 536 HB3 LEU 69 2HB LEU 69 1.080 -13.357 1.784 537 HG LEU 69 HG LEU 69 3.096 -11.627 3.197 538 HD11 LEU 69 1HD1 LEU 69 4.003 -11.343 1.158 539 HD12 LEU 69 2HD1 LEU 69 2.596 -10.314 0.895 540 HD13 LEU 69 3HD1 LEU 69 2.588 -11.981 0.320 541 HD21 LEU 69 1HD2 LEU 69 1.053 -10.865 3.877 542 HD22 LEU 69 2HD2 LEU 69 0.236 -11.408 2.411 543 HD23 LEU 69 3HD2 LEU 69 1.230 -9.951 2.379 544 H GLN 70 H GLN 70 -0.030 -15.022 2.248 545 HA GLN 70 HA GLN 70 0.691 -17.755 3.070 546 HB2 GLN 70 1HB GLN 70 -1.916 -16.549 2.175 547 HB3 GLN 70 2HB GLN 70 -1.649 -18.287 2.146 548 HG2 GLN 70 1HG GLN 70 -1.058 -18.107 4.594 549 HG3 GLN 70 2HG GLN 70 -1.679 -16.458 4.526 550 HE21 GLN 70 1HE2 GLN 70 -2.532 -19.833 4.011 551 HE22 GLN 70 2HE2 GLN 70 -4.219 -19.647 4.333 552 HA PRO 71 HA PRO 71 2.088 -18.579 -1.022 553 HB2 PRO 71 1HB PRO 71 1.843 -21.283 -1.016 554 HB3 PRO 71 2HB PRO 71 3.117 -20.431 -0.135 555 HG2 PRO 71 1HG PRO 71 0.530 -21.544 0.880 556 HG3 PRO 71 2HG PRO 71 2.144 -21.624 1.609 557 HD2 PRO 71 1HD PRO 71 0.265 -19.851 2.421 558 HD3 PRO 71 2HD PRO 71 2.002 -19.487 2.462 559 H ASP 72 H ASP 72 1.158 -18.574 -2.979 560 HA ASP 72 HA ASP 72 -0.408 -18.708 -4.624 561 HB2 ASP 72 1HB ASP 72 -0.146 -21.135 -4.235 562 HB3 ASP 72 2HB ASP 72 -1.422 -21.067 -3.023 563 H THR 73 H THR 73 -0.958 -16.761 -2.888 564 HA THR 73 HA THR 73 -3.888 -16.856 -2.698 565 HB THR 73 HB THR 73 -2.021 -15.838 -0.550 566 HG1 THR 73 1HG THR 73 -2.862 -18.191 -0.845 567 HG21 THR 73 1HG2 THR 73 -5.035 -15.695 -0.585 568 HG22 THR 73 2HG2 THR 73 -3.980 -14.333 -0.962 569 HG23 THR 73 3HG2 THR 73 -3.947 -15.056 0.646 570 H THR 74 H THR 74 -4.922 -15.034 -3.337 571 HA THR 74 HA THR 74 -3.359 -13.019 -4.681 572 HB THR 74 HB THR 74 -6.357 -13.122 -4.296 573 HG1 THR 74 1HG THR 74 -4.621 -14.382 -6.112 574 HG21 THR 74 1HG2 THR 74 -5.261 -10.932 -4.988 575 HG22 THR 74 2HG2 THR 74 -6.508 -11.561 -6.066 576 HG23 THR 74 3HG2 THR 74 -4.805 -11.751 -6.481 577 H TYR 75 H TYR 75 -2.712 -11.147 -3.854 578 HA TYR 75 HA TYR 75 -4.102 -10.109 -1.471 579 HB2 TYR 75 1HB TYR 75 -1.151 -10.219 -2.076 580 HB3 TYR 75 2HB TYR 75 -1.817 -9.120 -0.874 581 HD1 TYR 75 2HD TYR 75 -3.102 -10.112 1.079 582 HD2 TYR 75 1HD TYR 75 -0.722 -12.469 -1.546 583 HE1 TYR 75 2HE TYR 75 -3.028 -11.903 2.763 584 HE2 TYR 75 1HE TYR 75 -0.643 -14.266 0.131 585 HH TYR 75 HH TYR 75 -1.373 -13.868 3.289 586 H ILE 76 H ILE 76 -4.924 -8.141 -1.691 587 HA ILE 76 HA ILE 76 -4.276 -6.589 -4.068 588 HB ILE 76 HB ILE 76 -6.311 -5.860 -1.973 589 HG12 ILE 76 1HG1 ILE 76 -6.723 -8.173 -2.756 590 HG13 ILE 76 2HG1 ILE 76 -7.986 -7.060 -3.272 591 HG21 ILE 76 1HG2 ILE 76 -7.395 -4.819 -4.013 592 HG22 ILE 76 2HG2 ILE 76 -5.906 -4.065 -3.446 593 HG23 ILE 76 3HG2 ILE 76 -5.877 -5.125 -4.855 594 HD11 ILE 76 1HD1 ILE 76 -7.671 -7.659 -5.372 595 HD12 ILE 76 2HD1 ILE 76 -5.981 -7.159 -5.285 596 HD13 ILE 76 3HD1 ILE 76 -6.437 -8.805 -4.847 597 H VAL 77 H VAL 77 -3.349 -4.589 -4.074 598 HA VAL 77 HA VAL 77 -2.616 -3.391 -1.497 599 HB VAL 77 HB VAL 77 -0.642 -3.594 -3.765 600 HG11 VAL 77 1HG1 VAL 77 -0.537 -1.788 -1.925 601 HG12 VAL 77 2HG1 VAL 77 -0.032 -3.111 -0.872 602 HG13 VAL 77 3HG1 VAL 77 0.924 -2.703 -2.297 603 HG21 VAL 77 1HG2 VAL 77 0.263 -5.191 -1.670 604 HG22 VAL 77 2HG2 VAL 77 -1.434 -5.626 -1.872 605 HG23 VAL 77 3HG2 VAL 77 -0.327 -5.735 -3.240 606 H ARG 78 H ARG 78 -2.312 -1.147 -1.528 607 HA ARG 78 HA ARG 78 -2.557 0.332 -3.990 608 HB2 ARG 78 1HB ARG 78 -4.596 1.570 -3.229 609 HB3 ARG 78 2HB ARG 78 -4.889 -0.109 -3.660 610 HG2 ARG 78 1HG ARG 78 -5.363 -0.725 -1.520 611 HG3 ARG 78 2HG ARG 78 -4.321 0.513 -0.816 612 HD2 ARG 78 1HD ARG 78 -6.535 1.174 -0.330 613 HD3 ARG 78 2HD ARG 78 -5.998 2.212 -1.649 614 HE ARG 78 HE ARG 78 -7.557 1.231 -3.028 615 HH11 ARG 78 2HH1 ARG 78 -7.291 -0.581 -0.068 616 HH12 ARG 78 1HH1 ARG 78 -8.686 -1.558 -0.387 617 HH21 ARG 78 2HH2 ARG 78 -9.396 -0.048 -3.460 618 HH22 ARG 78 1HH2 ARG 78 -9.882 -1.254 -2.317 619 H VAL 79 H VAL 79 -1.361 2.108 -3.812 620 HA VAL 79 HA VAL 79 -0.872 3.201 -1.117 621 HB VAL 79 HB VAL 79 1.103 2.084 -2.255 622 HG11 VAL 79 1HG1 VAL 79 2.274 3.616 -3.909 623 HG12 VAL 79 2HG1 VAL 79 0.871 2.729 -4.509 624 HG13 VAL 79 3HG1 VAL 79 0.724 4.436 -4.088 625 HG21 VAL 79 1HG2 VAL 79 0.916 4.529 -0.799 626 HG22 VAL 79 2HG2 VAL 79 2.197 3.317 -0.766 627 HG23 VAL 79 3HG2 VAL 79 2.265 4.640 -1.931 628 H ARG 80 H ARG 80 -0.762 5.442 -0.882 629 HA ARG 80 HA ARG 80 -1.517 7.053 -3.218 630 HB2 ARG 80 1HB ARG 80 -3.364 7.984 -2.232 631 HB3 ARG 80 2HB ARG 80 -3.426 6.380 -1.514 632 HG2 ARG 80 1HG ARG 80 -2.168 7.328 0.447 633 HG3 ARG 80 2HG ARG 80 -2.434 8.923 -0.259 634 HD2 ARG 80 1HD ARG 80 -4.644 6.979 0.386 635 HD3 ARG 80 2HD ARG 80 -4.102 8.246 1.485 636 HE ARG 80 HE ARG 80 -4.702 9.434 -0.966 637 HH11 ARG 80 2HH1 ARG 80 -6.332 7.767 1.619 638 HH12 ARG 80 1HH1 ARG 80 -7.837 8.590 1.377 639 HH21 ARG 80 2HH2 ARG 80 -6.678 10.525 -1.295 640 HH22 ARG 80 1HH2 ARG 80 -8.033 10.158 -0.282 641 H THR 81 H THR 81 -1.386 9.473 -2.611 642 HA THR 81 HA THR 81 1.089 9.874 -1.063 643 HB THR 81 HB THR 81 0.018 11.476 -3.393 644 HG1 THR 81 1HG THR 81 1.531 9.302 -3.291 645 HG21 THR 81 1HG2 THR 81 2.458 12.455 -3.107 646 HG22 THR 81 2HG2 THR 81 2.194 11.994 -1.425 647 HG23 THR 81 3HG2 THR 81 1.093 13.124 -2.213 648 H LEU 82 H LEU 82 0.537 10.589 0.904 649 HA LEU 82 HA LEU 82 -1.787 11.934 1.616 650 HB2 LEU 82 1HB LEU 82 0.876 11.528 2.842 651 HB3 LEU 82 2HB LEU 82 -0.119 12.822 3.509 652 HG LEU 82 HG LEU 82 -0.420 10.834 4.823 653 HD11 LEU 82 1HD1 LEU 82 -2.971 10.477 3.653 654 HD12 LEU 82 2HD1 LEU 82 -2.523 12.171 3.455 655 HD13 LEU 82 3HD1 LEU 82 -2.534 11.445 5.062 656 HD21 LEU 82 1HD2 LEU 82 -1.217 8.752 3.909 657 HD22 LEU 82 2HD2 LEU 82 0.263 9.224 3.073 658 HD23 LEU 82 3HD2 LEU 82 -1.303 9.452 2.292 659 H THR 83 H THR 83 -2.305 14.086 1.963 660 HA THR 83 HA THR 83 -0.402 16.163 1.271 661 HB THR 83 HB THR 83 -1.408 17.015 -0.610 662 HG1 THR 83 1HG THR 83 -3.739 15.923 0.496 663 HG21 THR 83 1HG2 THR 83 -1.904 15.212 -2.165 664 HG22 THR 83 2HG2 THR 83 -2.155 14.096 -0.823 665 HG23 THR 83 3HG2 THR 83 -0.551 14.761 -1.130 666 HA PRO 84 HA PRO 84 -2.673 18.453 4.252 667 HB2 PRO 84 1HB PRO 84 -2.252 20.991 3.387 668 HB3 PRO 84 2HB PRO 84 -0.992 20.016 4.152 669 HG2 PRO 84 1HG PRO 84 -1.477 20.542 1.245 670 HG3 PRO 84 2HG PRO 84 0.055 20.524 2.138 671 HD2 PRO 84 1HD PRO 84 -0.772 18.438 0.621 672 HD3 PRO 84 2HD PRO 84 0.199 18.224 2.092 673 H LEU 85 H LEU 85 -3.308 19.164 0.853 674 HA LEU 85 HA LEU 85 -6.100 19.764 1.574 675 HB2 LEU 85 1HB LEU 85 -4.254 21.150 -0.318 676 HB3 LEU 85 2HB LEU 85 -5.983 21.129 -0.655 677 HG LEU 85 HG LEU 85 -4.695 22.260 1.829 678 HD11 LEU 85 1HD1 LEU 85 -4.169 23.679 -0.004 679 HD12 LEU 85 2HD1 LEU 85 -5.511 24.425 0.864 680 HD13 LEU 85 3HD1 LEU 85 -5.808 23.563 -0.646 681 HD21 LEU 85 1HD2 LEU 85 -7.375 23.130 1.323 682 HD22 LEU 85 2HD2 LEU 85 -6.716 22.315 2.742 683 HD23 LEU 85 3HD2 LEU 85 -7.323 21.368 1.383 684 H GLY 86 H GLY 86 -6.884 17.722 1.151 685 HA2 GLY 86 1HA GLY 86 -7.903 16.167 -0.218 686 HA3 GLY 86 2HA GLY 86 -7.386 17.117 -1.603 687 HA PRO 87 HA PRO 87 -4.063 13.761 -0.360 688 HB2 PRO 87 1HB PRO 87 -5.256 11.425 0.338 689 HB3 PRO 87 2HB PRO 87 -4.778 12.649 1.519 690 HG2 PRO 87 1HG PRO 87 -7.474 12.111 0.334 691 HG3 PRO 87 2HG PRO 87 -7.042 12.468 2.017 692 HD2 PRO 87 1HD PRO 87 -8.058 14.340 0.345 693 HD3 PRO 87 2HD PRO 87 -6.901 14.736 1.631 694 H GLY 88 H GLY 88 -3.349 12.039 -1.723 695 HA2 GLY 88 1HA GLY 88 -4.438 12.068 -4.316 696 HA3 GLY 88 2HA GLY 88 -3.230 10.934 -3.730 697 HA PRO 89 HA PRO 89 -7.626 9.053 -4.255 698 HB2 PRO 89 1HB PRO 89 -7.500 8.178 -6.821 699 HB3 PRO 89 2HB PRO 89 -8.148 9.761 -6.377 700 HG2 PRO 89 1HG PRO 89 -5.435 9.050 -7.423 701 HG3 PRO 89 2HG PRO 89 -6.485 10.407 -7.869 702 HD2 PRO 89 1HD PRO 89 -4.392 10.682 -6.174 703 HD3 PRO 89 2HD PRO 89 -5.872 11.651 -6.028 704 H PHE 90 H PHE 90 -7.550 7.114 -3.327 705 HA PHE 90 HA PHE 90 -5.346 5.457 -3.160 706 HB2 PHE 90 1HB PHE 90 -8.264 5.098 -2.695 707 HB3 PHE 90 2HB PHE 90 -7.271 3.646 -2.776 708 HD1 PHE 90 2HD PHE 90 -4.921 4.045 -1.403 709 HD2 PHE 90 1HD PHE 90 -8.700 5.820 -0.575 710 HE1 PHE 90 2HE PHE 90 -4.248 4.376 0.940 711 HE2 PHE 90 1HE PHE 90 -8.033 6.154 1.770 712 HZ PHE 90 HZ PHE 90 -5.805 5.430 2.530 713 H SER 91 H SER 91 -4.277 4.564 -4.795 714 HA SER 91 HA SER 91 -4.948 4.183 -7.367 715 HB2 SER 91 1HB SER 91 -3.121 2.792 -7.563 716 HB3 SER 91 2HB SER 91 -2.788 3.500 -5.983 717 HG SER 91 HG SER 91 -2.592 1.328 -5.719 718 HA PRO 92 HA PRO 92 -8.129 1.191 -7.792 719 HB2 PRO 92 1HB PRO 92 -7.418 -0.030 -10.110 720 HB3 PRO 92 2HB PRO 92 -8.067 1.613 -10.050 721 HG2 PRO 92 1HG PRO 92 -5.222 0.707 -10.273 722 HG3 PRO 92 2HG PRO 92 -6.052 2.012 -11.140 723 HD2 PRO 92 1HD PRO 92 -4.434 2.471 -9.018 724 HD3 PRO 92 2HD PRO 92 -5.848 3.483 -9.377 725 H ASP 93 H ASP 93 -8.557 -0.790 -7.013 726 HA ASP 93 HA ASP 93 -6.867 -2.379 -5.655 727 HB2 ASP 93 1HB ASP 93 -8.448 -4.167 -5.832 728 HB3 ASP 93 2HB ASP 93 -9.362 -2.662 -5.856 729 H HIS 94 H HIS 94 -4.892 -2.967 -6.324 730 HA HIS 94 HA HIS 94 -4.489 -3.968 -9.026 731 HB2 HIS 94 1HB HIS 94 -2.668 -3.170 -6.779 732 HB3 HIS 94 2HB HIS 94 -2.052 -4.150 -8.106 733 HD1 HIS 94 1HD HIS 94 -3.637 -0.774 -7.471 734 HD2 HIS 94 2HD HIS 94 -1.424 -2.755 -10.376 735 HE1 HIS 94 1HE HIS 94 -3.027 0.982 -9.166 736 HE2 HIS 94 2HE HIS 94 -1.761 -0.257 -10.957 737 H GLU 95 H GLU 95 -5.134 -6.019 -9.298 738 HA GLU 95 HA GLU 95 -5.105 -7.989 -7.260 739 HB2 GLU 95 1HB GLU 95 -6.582 -7.947 -9.321 740 HB3 GLU 95 2HB GLU 95 -5.186 -8.507 -10.231 741 HG2 GLU 95 1HG GLU 95 -5.982 -10.038 -7.818 742 HG3 GLU 95 2HG GLU 95 -6.984 -10.173 -9.262 743 H PHE 96 H PHE 96 -3.465 -9.144 -6.511 744 HA PHE 96 HA PHE 96 -1.190 -9.707 -8.283 745 HB2 PHE 96 1HB PHE 96 -1.071 -8.624 -5.467 746 HB3 PHE 96 2HB PHE 96 0.306 -9.381 -6.260 747 HD1 PHE 96 1HD PHE 96 0.620 -8.393 -8.790 748 HD2 PHE 96 2HD PHE 96 -1.036 -6.341 -5.448 749 HE1 PHE 96 1HE PHE 96 1.209 -6.240 -9.824 750 HE2 PHE 96 2HE PHE 96 -0.450 -4.185 -6.478 751 HZ PHE 96 HZ PHE 96 0.673 -4.132 -8.669 752 H ARG 97 H ARG 97 -0.146 -11.664 -7.939 753 HA ARG 97 HA ARG 97 -1.417 -13.463 -5.983 754 HB2 ARG 97 1HB ARG 97 -1.992 -13.825 -8.467 755 HB3 ARG 97 2HB ARG 97 -0.338 -14.400 -8.630 756 HG2 ARG 97 1HG ARG 97 -0.904 -16.007 -6.722 757 HG3 ARG 97 2HG ARG 97 -2.587 -15.590 -7.052 758 HD2 ARG 97 1HD ARG 97 -2.195 -16.242 -9.434 759 HD3 ARG 97 2HD ARG 97 -0.602 -16.825 -8.953 760 HE ARG 97 HE ARG 97 -1.597 -18.693 -8.097 761 HH11 ARG 97 2HH1 ARG 97 -4.008 -16.211 -8.476 762 HH12 ARG 97 1HH1 ARG 97 -5.331 -17.250 -8.061 763 HH21 ARG 97 2HH2 ARG 97 -3.329 -20.071 -7.549 764 HH22 ARG 97 1HH2 ARG 97 -4.944 -19.446 -7.533 765 H THR 98 H THR 98 -0.087 -14.604 -4.700 766 HA THR 98 HA THR 98 2.734 -14.027 -4.787 767 HB THR 98 HB THR 98 2.799 -15.570 -2.766 768 HG1 THR 98 1HG THR 98 0.997 -16.525 -2.153 769 HG21 THR 98 1HG2 THR 98 2.646 -13.105 -2.612 770 HG22 THR 98 2HG2 THR 98 1.813 -13.919 -1.288 771 HG23 THR 98 3HG2 THR 98 0.888 -13.236 -2.624 772 H SER 99 H SER 99 4.340 -15.819 -4.506 773 HA SER 99 HA SER 99 4.240 -17.560 -6.720 774 HB2 SER 99 1HB SER 99 6.305 -16.635 -5.495 775 HB3 SER 99 2HB SER 99 6.065 -17.956 -4.353 776 HG SER 99 HG SER 99 7.365 -18.842 -5.829 777 HA PRO 100 HA PRO 100 1.993 -21.001 -5.140 778 HB2 PRO 100 1HB PRO 100 2.929 -22.919 -6.819 779 HB3 PRO 100 2HB PRO 100 1.784 -21.672 -7.328 780 HG2 PRO 100 1HG PRO 100 4.751 -21.791 -7.712 781 HG3 PRO 100 2HG PRO 100 3.492 -21.306 -8.863 782 HD2 PRO 100 1HD PRO 100 4.992 -19.509 -7.502 783 HD3 PRO 100 2HD PRO 100 3.307 -19.192 -7.963 784 HA PRO 101 HA PRO 101 4.661 -23.024 -2.262 785 HB2 PRO 101 1HB PRO 101 3.042 -25.092 -1.576 786 HB3 PRO 101 2HB PRO 101 2.767 -23.434 -1.028 787 HG2 PRO 101 1HG PRO 101 1.468 -24.927 -3.274 788 HG3 PRO 101 2HG PRO 101 0.730 -23.862 -2.064 789 HD2 PRO 101 1HD PRO 101 1.283 -23.040 -4.583 790 HD3 PRO 101 2HD PRO 101 1.351 -21.947 -3.186 791 H SER 102 H SER 102 3.600 -24.440 -5.189 792 HA SER 102 HA SER 102 5.328 -26.784 -4.817 793 HB2 SER 102 1HB SER 102 2.851 -26.865 -5.693 794 HB3 SER 102 2HB SER 102 3.587 -26.399 -7.226 795 HG SER 102 HG SER 102 4.775 -28.493 -5.830 796 H GLY 103 H GLY 103 4.595 -24.297 -7.267 797 HA2 GLY 103 1HA GLY 103 6.588 -24.796 -9.085 798 HA3 GLY 103 2HA GLY 103 5.991 -23.184 -8.720 799 HA PRO 104 HA PRO 104 10.312 -24.217 -6.726 800 HB2 PRO 104 1HB PRO 104 12.023 -24.578 -8.803 801 HB3 PRO 104 2HB PRO 104 11.196 -25.916 -7.996 802 HG2 PRO 104 1HG PRO 104 10.507 -24.534 -10.561 803 HG3 PRO 104 2HG PRO 104 10.494 -26.267 -10.186 804 HD2 PRO 104 1HD PRO 104 8.240 -24.767 -10.220 805 HD3 PRO 104 2HD PRO 104 8.450 -26.151 -9.128 806 H SER 105 H SER 105 9.976 -22.703 -9.937 807 HA SER 105 HA SER 105 10.940 -20.187 -8.792 808 HB2 SER 105 1HB SER 105 12.129 -21.611 -11.168 809 HB3 SER 105 2HB SER 105 12.299 -19.870 -10.949 810 HG SER 105 HG SER 105 13.422 -20.221 -9.075 811 H SER 106 H SER 106 10.083 -18.356 -9.716 812 HA SER 106 HA SER 106 7.623 -18.661 -11.110 813 HB2 SER 106 1HB SER 106 7.658 -16.149 -11.177 814 HB3 SER 106 2HB SER 106 7.861 -16.830 -9.562 815 HG SER 106 HG SER 106 9.355 -15.078 -10.282 816 H GLY 107 H GLY 107 10.777 -17.296 -12.043 817 HA2 GLY 107 1HA GLY 107 11.568 -17.992 -14.298 818 HA3 GLY 107 2HA GLY 107 9.948 -17.614 -14.863 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -22.652 -8.270 -3.271 2 HA2 GLY 1 1HA GLY 1 -22.811 -5.506 -2.580 3 HA3 GLY 1 2HA GLY 1 -21.679 -6.230 -3.714 4 H SER 2 H SER 2 -22.113 -4.145 -4.839 5 HA SER 2 HA SER 2 -24.622 -4.222 -6.373 6 HB2 SER 2 1HB SER 2 -24.163 -1.842 -6.890 7 HB3 SER 2 2HB SER 2 -24.276 -2.135 -5.155 8 HG SER 2 HG SER 2 -22.361 -1.305 -5.029 9 H SER 3 H SER 3 -21.143 -3.579 -6.755 10 HA SER 3 HA SER 3 -19.758 -3.718 -8.561 11 HB2 SER 3 1HB SER 3 -20.666 -6.163 -8.126 12 HB3 SER 3 2HB SER 3 -21.437 -5.919 -9.693 13 HG SER 3 HG SER 3 -19.376 -6.842 -9.936 14 H GLY 4 H GLY 4 -21.725 -1.781 -8.862 15 HA2 GLY 4 1HA GLY 4 -23.101 -1.988 -11.346 16 HA3 GLY 4 2HA GLY 4 -22.830 -0.512 -10.431 17 H SER 5 H SER 5 -22.287 0.772 -12.160 18 HA SER 5 HA SER 5 -19.982 -0.047 -13.782 19 HB2 SER 5 1HB SER 5 -20.654 1.790 -15.300 20 HB3 SER 5 2HB SER 5 -21.959 0.629 -15.050 21 HG SER 5 HG SER 5 -21.926 3.263 -14.541 22 H SER 6 H SER 6 -18.073 0.632 -13.092 23 HA SER 6 HA SER 6 -17.801 3.399 -12.168 24 HB2 SER 6 1HB SER 6 -17.023 0.926 -10.654 25 HB3 SER 6 2HB SER 6 -16.106 2.417 -10.439 26 HG SER 6 HG SER 6 -17.702 2.489 -8.938 27 H GLY 7 H GLY 7 -16.266 4.383 -13.297 28 HA2 GLY 7 1HA GLY 7 -13.785 3.010 -13.923 29 HA3 GLY 7 2HA GLY 7 -14.762 3.460 -15.313 30 H ALA 8 H ALA 8 -13.841 5.050 -12.255 31 HA ALA 8 HA ALA 8 -12.955 7.361 -13.859 32 HB1 ALA 8 1HB ALA 8 -13.709 8.841 -12.141 33 HB2 ALA 8 2HB ALA 8 -15.038 7.753 -12.543 34 HB3 ALA 8 3HB ALA 8 -14.098 7.490 -11.074 35 H GLU 9 H GLU 9 -10.839 6.347 -13.878 36 HA GLU 9 HA GLU 9 -9.428 6.575 -11.303 37 HB2 GLU 9 1HB GLU 9 -7.739 5.036 -12.307 38 HB3 GLU 9 2HB GLU 9 -9.329 4.313 -12.103 39 HG2 GLU 9 1HG GLU 9 -9.733 4.952 -14.543 40 HG3 GLU 9 2HG GLU 9 -7.991 5.206 -14.629 41 H SER 10 H SER 10 -8.849 8.719 -11.402 42 HA SER 10 HA SER 10 -7.305 9.607 -13.735 43 HB2 SER 10 1HB SER 10 -9.297 10.943 -12.781 44 HB3 SER 10 2HB SER 10 -8.202 11.380 -11.470 45 HG SER 10 HG SER 10 -7.775 11.844 -14.239 46 H LEU 11 H LEU 11 -6.050 7.795 -12.028 47 HA LEU 11 HA LEU 11 -4.532 8.815 -9.955 48 HB2 LEU 11 1HB LEU 11 -4.730 6.414 -10.925 49 HB3 LEU 11 2HB LEU 11 -3.348 6.886 -11.911 50 HG LEU 11 HG LEU 11 -2.013 7.248 -9.918 51 HD11 LEU 11 1HD1 LEU 11 -3.425 8.014 -8.257 52 HD12 LEU 11 2HD1 LEU 11 -3.086 6.366 -7.729 53 HD13 LEU 11 3HD1 LEU 11 -4.611 6.738 -8.531 54 HD21 LEU 11 1HD2 LEU 11 -3.105 4.735 -10.741 55 HD22 LEU 11 2HD2 LEU 11 -2.785 4.700 -9.007 56 HD23 LEU 11 3HD2 LEU 11 -1.490 5.103 -10.135 57 H SER 12 H SER 12 -2.605 9.886 -9.776 58 HA SER 12 HA SER 12 -1.841 11.534 -11.999 59 HB2 SER 12 1HB SER 12 -1.822 12.464 -9.747 60 HB3 SER 12 2HB SER 12 -0.649 11.253 -9.229 61 HG SER 12 HG SER 12 0.644 12.883 -9.731 62 H GLY 13 H GLY 13 -0.175 9.057 -10.049 63 HA2 GLY 13 1HA GLY 13 1.112 7.846 -12.223 64 HA3 GLY 13 2HA GLY 13 2.207 9.045 -11.552 65 H LEU 14 H LEU 14 -0.090 6.789 -10.032 66 HA LEU 14 HA LEU 14 2.177 5.664 -8.523 67 HB2 LEU 14 1HB LEU 14 -0.575 6.424 -7.610 68 HB3 LEU 14 2HB LEU 14 0.375 5.222 -6.739 69 HG LEU 14 HG LEU 14 1.231 8.076 -7.216 70 HD11 LEU 14 1HD1 LEU 14 -0.694 7.095 -5.428 71 HD12 LEU 14 2HD1 LEU 14 0.060 8.689 -5.437 72 HD13 LEU 14 3HD1 LEU 14 0.760 7.388 -4.474 73 HD21 LEU 14 1HD2 LEU 14 3.135 6.653 -6.962 74 HD22 LEU 14 2HD2 LEU 14 2.401 5.824 -5.589 75 HD23 LEU 14 3HD2 LEU 14 2.893 7.511 -5.440 76 H SER 15 H SER 15 1.975 4.269 -10.587 77 HA SER 15 HA SER 15 -0.146 2.288 -10.464 78 HB2 SER 15 1HB SER 15 0.998 1.348 -12.490 79 HB3 SER 15 2HB SER 15 0.495 3.029 -12.668 80 HG SER 15 HG SER 15 3.061 1.945 -12.437 81 H LEU 16 H LEU 16 0.081 0.852 -8.858 82 HA LEU 16 HA LEU 16 2.364 0.035 -7.571 83 HB2 LEU 16 1HB LEU 16 -0.308 -1.178 -8.013 84 HB3 LEU 16 2HB LEU 16 0.960 -2.214 -7.360 85 HG LEU 16 HG LEU 16 0.105 0.392 -6.106 86 HD11 LEU 16 1HD1 LEU 16 -1.652 -0.626 -5.223 87 HD12 LEU 16 2HD1 LEU 16 -0.616 -1.893 -4.568 88 HD13 LEU 16 3HD1 LEU 16 -1.297 -2.060 -6.186 89 HD21 LEU 16 1HD2 LEU 16 2.425 -0.896 -5.745 90 HD22 LEU 16 2HD2 LEU 16 1.423 -1.777 -4.590 91 HD23 LEU 16 3HD2 LEU 16 1.594 -0.026 -4.455 92 H LYS 17 H LYS 17 4.121 -1.019 -8.188 93 HA LYS 17 HA LYS 17 3.963 -2.747 -10.569 94 HB2 LYS 17 1HB LYS 17 5.439 -0.953 -11.042 95 HB3 LYS 17 2HB LYS 17 6.204 -1.064 -9.462 96 HG2 LYS 17 1HG LYS 17 7.810 -2.091 -10.669 97 HG3 LYS 17 2HG LYS 17 6.790 -3.501 -10.375 98 HD2 LYS 17 1HD LYS 17 6.996 -3.705 -12.628 99 HD3 LYS 17 2HD LYS 17 5.618 -2.602 -12.598 100 HE2 LYS 17 1HE LYS 17 8.368 -1.458 -12.585 101 HE3 LYS 17 2HE LYS 17 7.737 -2.119 -14.093 102 HZ1 LYS 17 1HZ LYS 17 7.136 0.114 -14.133 103 HZ2 LYS 17 2HZ LYS 17 6.696 0.141 -12.500 104 HZ3 LYS 17 3HZ LYS 17 5.720 -0.661 -13.626 105 H LEU 18 H LEU 18 4.778 -4.802 -10.502 106 HA LEU 18 HA LEU 18 5.314 -5.866 -7.835 107 HB2 LEU 18 1HB LEU 18 3.598 -6.949 -9.200 108 HB3 LEU 18 2HB LEU 18 4.796 -7.275 -10.451 109 HG LEU 18 HG LEU 18 5.987 -8.764 -8.889 110 HD11 LEU 18 1HD1 LEU 18 4.310 -7.496 -6.976 111 HD12 LEU 18 2HD1 LEU 18 5.607 -8.661 -6.710 112 HD13 LEU 18 3HD1 LEU 18 3.956 -9.224 -6.973 113 HD21 LEU 18 1HD2 LEU 18 3.166 -9.713 -8.871 114 HD22 LEU 18 2HD2 LEU 18 4.644 -10.567 -9.315 115 HD23 LEU 18 3HD2 LEU 18 3.939 -9.388 -10.422 116 H VAL 19 H VAL 19 7.440 -5.298 -7.462 117 HA VAL 19 HA VAL 19 9.538 -5.649 -9.334 118 HB VAL 19 HB VAL 19 9.355 -4.999 -6.451 119 HG11 VAL 19 1HG1 VAL 19 10.949 -6.712 -6.191 120 HG12 VAL 19 2HG1 VAL 19 11.775 -6.281 -7.690 121 HG13 VAL 19 3HG1 VAL 19 11.881 -5.218 -6.286 122 HG21 VAL 19 1HG2 VAL 19 10.225 -3.032 -7.113 123 HG22 VAL 19 2HG2 VAL 19 11.404 -3.794 -8.181 124 HG23 VAL 19 3HG2 VAL 19 9.741 -3.569 -8.721 125 H LYS 20 H LYS 20 8.755 -7.498 -6.382 126 HA LYS 20 HA LYS 20 9.518 -9.963 -7.709 127 HB2 LYS 20 1HB LYS 20 11.666 -9.416 -6.907 128 HB3 LYS 20 2HB LYS 20 11.035 -8.799 -5.386 129 HG2 LYS 20 1HG LYS 20 10.291 -11.190 -4.915 130 HG3 LYS 20 2HG LYS 20 11.331 -11.651 -6.265 131 HD2 LYS 20 1HD LYS 20 13.146 -10.286 -5.029 132 HD3 LYS 20 2HD LYS 20 12.082 -10.437 -3.628 133 HE2 LYS 20 1HE LYS 20 13.717 -12.212 -3.595 134 HE3 LYS 20 2HE LYS 20 12.119 -12.889 -3.904 135 HZ1 LYS 20 1HZ LYS 20 14.263 -13.491 -5.345 136 HZ2 LYS 20 2HZ LYS 20 13.683 -12.186 -6.250 137 HZ3 LYS 20 3HZ LYS 20 12.692 -13.528 -5.971 138 H LYS 21 H LYS 21 7.874 -11.271 -7.291 139 HA LYS 21 HA LYS 21 6.380 -10.979 -4.798 140 HB2 LYS 21 1HB LYS 21 4.621 -12.149 -5.835 141 HB3 LYS 21 2HB LYS 21 5.278 -11.118 -7.099 142 HG2 LYS 21 1HG LYS 21 6.281 -12.907 -8.205 143 HG3 LYS 21 2HG LYS 21 6.184 -13.956 -6.789 144 HD2 LYS 21 1HD LYS 21 3.940 -14.397 -7.106 145 HD3 LYS 21 2HD LYS 21 3.671 -12.912 -8.022 146 HE2 LYS 21 1HE LYS 21 4.636 -13.804 -9.963 147 HE3 LYS 21 2HE LYS 21 5.408 -15.120 -9.079 148 HZ1 LYS 21 1HZ LYS 21 2.969 -15.177 -10.381 149 HZ2 LYS 21 2HZ LYS 21 2.603 -15.220 -8.730 150 HZ3 LYS 21 3HZ LYS 21 3.634 -16.383 -9.398 151 H GLU 22 H GLU 22 6.182 -12.572 -3.273 152 HA GLU 22 HA GLU 22 7.717 -15.044 -3.702 153 HB2 GLU 22 1HB GLU 22 7.970 -13.038 -1.516 154 HB3 GLU 22 2HB GLU 22 8.124 -14.736 -1.086 155 HG2 GLU 22 1HG GLU 22 9.882 -14.943 -2.842 156 HG3 GLU 22 2HG GLU 22 9.799 -13.195 -3.050 157 HA PRO 23 HA PRO 23 4.293 -17.250 -2.077 158 HB2 PRO 23 1HB PRO 23 5.482 -19.194 -0.602 159 HB3 PRO 23 2HB PRO 23 5.510 -19.176 -2.369 160 HG2 PRO 23 1HG PRO 23 7.616 -18.295 -0.432 161 HG3 PRO 23 2HG PRO 23 7.793 -19.231 -1.928 162 HD2 PRO 23 1HD PRO 23 8.326 -16.580 -1.797 163 HD3 PRO 23 2HD PRO 23 7.692 -17.355 -3.263 164 H ARG 24 H ARG 24 6.604 -15.921 0.154 165 HA ARG 24 HA ARG 24 4.501 -15.809 2.207 166 HB2 ARG 24 1HB ARG 24 7.428 -16.427 2.640 167 HB3 ARG 24 2HB ARG 24 6.292 -16.062 3.932 168 HG2 ARG 24 1HG ARG 24 4.987 -18.027 3.380 169 HG3 ARG 24 2HG ARG 24 6.059 -18.377 2.022 170 HD2 ARG 24 1HD ARG 24 7.861 -18.893 3.442 171 HD3 ARG 24 2HD ARG 24 7.079 -18.151 4.837 172 HE ARG 24 HE ARG 24 5.684 -20.418 3.710 173 HH11 ARG 24 2HH1 ARG 24 8.014 -19.303 6.043 174 HH12 ARG 24 1HH1 ARG 24 7.845 -20.689 7.068 175 HH21 ARG 24 2HH2 ARG 24 5.452 -22.248 5.051 176 HH22 ARG 24 1HH2 ARG 24 6.388 -22.364 6.503 177 H GLN 25 H GLN 25 6.517 -14.131 0.205 178 HA GLN 25 HA GLN 25 6.235 -11.710 1.831 179 HB2 GLN 25 1HB GLN 25 8.597 -12.786 1.923 180 HB3 GLN 25 2HB GLN 25 8.763 -12.180 0.281 181 HG2 GLN 25 1HG GLN 25 7.850 -10.282 2.367 182 HG3 GLN 25 2HG GLN 25 9.539 -10.786 2.387 183 HE21 GLN 25 1HE2 GLN 25 10.624 -10.670 0.196 184 HE22 GLN 25 2HE2 GLN 25 10.301 -9.259 -0.748 185 H LEU 26 H LEU 26 6.732 -9.717 0.469 186 HA LEU 26 HA LEU 26 6.376 -9.999 -2.379 187 HB2 LEU 26 1HB LEU 26 4.160 -9.228 -0.568 188 HB3 LEU 26 2HB LEU 26 4.334 -8.313 -2.064 189 HG LEU 26 HG LEU 26 3.946 -11.299 -1.862 190 HD11 LEU 26 1HD1 LEU 26 1.962 -9.961 -1.241 191 HD12 LEU 26 2HD1 LEU 26 1.731 -10.899 -2.716 192 HD13 LEU 26 3HD1 LEU 26 2.041 -9.165 -2.813 193 HD21 LEU 26 1HD2 LEU 26 3.398 -10.232 -4.437 194 HD22 LEU 26 2HD2 LEU 26 4.618 -11.418 -3.971 195 HD23 LEU 26 3HD2 LEU 26 5.006 -9.696 -3.947 196 H GLU 27 H GLU 27 7.746 -8.564 -3.183 197 HA GLU 27 HA GLU 27 8.163 -6.038 -1.732 198 HB2 GLU 27 1HB GLU 27 10.099 -7.691 -2.208 199 HB3 GLU 27 2HB GLU 27 9.997 -7.102 -3.861 200 HG2 GLU 27 1HG GLU 27 10.250 -4.772 -2.884 201 HG3 GLU 27 2HG GLU 27 10.708 -5.574 -1.382 202 H LEU 28 H LEU 28 7.092 -4.380 -2.564 203 HA LEU 28 HA LEU 28 6.832 -4.205 -5.494 204 HB2 LEU 28 1HB LEU 28 4.901 -2.888 -3.632 205 HB3 LEU 28 2HB LEU 28 4.684 -3.350 -5.319 206 HG LEU 28 HG LEU 28 4.961 -5.418 -3.161 207 HD11 LEU 28 1HD1 LEU 28 2.390 -4.142 -4.084 208 HD12 LEU 28 2HD1 LEU 28 3.147 -3.890 -2.512 209 HD13 LEU 28 3HD1 LEU 28 2.552 -5.489 -2.957 210 HD21 LEU 28 1HD2 LEU 28 4.448 -6.889 -4.769 211 HD22 LEU 28 2HD2 LEU 28 4.897 -5.600 -5.886 212 HD23 LEU 28 3HD2 LEU 28 3.203 -5.848 -5.459 213 H THR 29 H THR 29 6.623 -1.978 -6.325 214 HA THR 29 HA THR 29 7.605 0.161 -4.636 215 HB THR 29 HB THR 29 9.687 -0.964 -5.374 216 HG1 THR 29 1HG THR 29 10.389 1.022 -5.269 217 HG21 THR 29 1HG2 THR 29 10.343 -1.020 -7.668 218 HG22 THR 29 2HG2 THR 29 8.927 -0.089 -8.158 219 HG23 THR 29 3HG2 THR 29 8.736 -1.741 -7.572 220 H TRP 30 H TRP 30 6.601 1.977 -5.189 221 HA TRP 30 HA TRP 30 5.491 2.181 -7.911 222 HB2 TRP 30 1HB TRP 30 3.890 3.848 -6.794 223 HB3 TRP 30 2HB TRP 30 3.660 2.139 -6.431 224 HD1 TRP 30 HD TRP 30 4.895 5.397 -4.826 225 HE1 TRP 30 1HE TRP 30 4.899 5.097 -2.269 226 HE3 TRP 30 3HE TRP 30 3.801 0.409 -4.593 227 HZ2 TRP 30 2HZ TRP 30 4.493 3.020 -0.401 228 HZ3 TRP 30 3HZ TRP 30 3.627 -0.659 -2.383 229 HH2 TRP 30 HH TRP 30 3.967 0.621 -0.332 230 H ALA 31 H ALA 31 6.840 3.400 -9.083 231 HA ALA 31 HA ALA 31 7.589 6.030 -7.999 232 HB1 ALA 31 1HB ALA 31 9.574 5.041 -9.845 233 HB2 ALA 31 2HB ALA 31 9.770 5.654 -8.202 234 HB3 ALA 31 3HB ALA 31 9.384 3.954 -8.469 235 H GLY 32 H GLY 32 7.405 7.727 -9.387 236 HA2 GLY 32 1HA GLY 32 7.542 7.785 -12.122 237 HA3 GLY 32 2HA GLY 32 5.884 7.311 -11.783 238 H SER 33 H SER 33 8.298 9.795 -11.003 239 HA SER 33 HA SER 33 6.346 11.872 -11.414 240 HB2 SER 33 1HB SER 33 7.356 11.198 -8.663 241 HB3 SER 33 2HB SER 33 6.901 12.851 -9.074 242 HG SER 33 HG SER 33 5.078 10.909 -9.802 243 H ARG 34 H ARG 34 7.270 13.886 -11.758 244 HA ARG 34 HA ARG 34 9.966 13.890 -12.625 245 HB2 ARG 34 1HB ARG 34 7.879 15.382 -13.295 246 HB3 ARG 34 2HB ARG 34 8.542 16.451 -12.066 247 HG2 ARG 34 1HG ARG 34 10.542 16.757 -13.255 248 HG3 ARG 34 2HG ARG 34 10.216 15.384 -14.315 249 HD2 ARG 34 1HD ARG 34 8.619 16.546 -15.537 250 HD3 ARG 34 2HD ARG 34 8.356 17.726 -14.254 251 HE ARG 34 HE ARG 34 10.991 17.762 -15.447 252 HH11 ARG 34 2HH1 ARG 34 7.758 19.051 -15.481 253 HH12 ARG 34 1HH1 ARG 34 8.207 20.509 -16.301 254 HH21 ARG 34 2HH2 ARG 34 11.596 19.678 -16.527 255 HH22 ARG 34 1HH2 ARG 34 10.391 20.865 -16.896 256 HA PRO 35 HA PRO 35 12.082 14.830 -8.875 257 HB2 PRO 35 1HB PRO 35 14.363 15.846 -9.939 258 HB3 PRO 35 2HB PRO 35 13.982 14.120 -9.953 259 HG2 PRO 35 1HG PRO 35 13.662 16.147 -12.132 260 HG3 PRO 35 2HG PRO 35 14.279 14.488 -12.230 261 HD2 PRO 35 1HD PRO 35 11.753 15.148 -12.948 262 HD3 PRO 35 2HD PRO 35 12.165 13.570 -12.248 263 H ARG 36 H ARG 36 10.730 17.084 -10.882 264 HA ARG 36 HA ARG 36 11.966 19.487 -10.066 265 HB2 ARG 36 1HB ARG 36 9.287 18.820 -11.250 266 HB3 ARG 36 2HB ARG 36 9.661 20.463 -10.747 267 HG2 ARG 36 1HG ARG 36 11.353 18.899 -12.679 268 HG3 ARG 36 2HG ARG 36 10.037 19.968 -13.170 269 HD2 ARG 36 1HD ARG 36 12.109 21.040 -11.327 270 HD3 ARG 36 2HD ARG 36 12.542 20.811 -13.021 271 HE ARG 36 HE ARG 36 10.703 22.762 -11.937 272 HH11 ARG 36 2HH1 ARG 36 11.830 21.077 -14.767 273 HH12 ARG 36 1HH1 ARG 36 11.242 22.273 -15.874 274 HH21 ARG 36 2HH2 ARG 36 9.924 24.344 -13.384 275 HH22 ARG 36 1HH2 ARG 36 10.159 24.132 -15.086 276 H ASN 37 H ASN 37 12.237 19.314 -7.804 277 HA ASN 37 HA ASN 37 10.019 20.358 -6.301 278 HB2 ASN 37 1HB ASN 37 9.934 17.709 -6.370 279 HB3 ASN 37 2HB ASN 37 11.161 17.866 -5.117 280 HD21 ASN 37 1HD2 ASN 37 9.003 16.654 -4.320 281 HD22 ASN 37 2HD2 ASN 37 7.984 17.671 -3.364 282 HA PRO 38 HA PRO 38 13.704 22.234 -4.613 283 HB2 PRO 38 1HB PRO 38 12.390 24.030 -3.059 284 HB3 PRO 38 2HB PRO 38 12.593 24.236 -4.803 285 HG2 PRO 38 1HG PRO 38 10.227 23.217 -3.278 286 HG3 PRO 38 2HG PRO 38 10.275 24.340 -4.649 287 HD2 PRO 38 1HD PRO 38 9.651 21.720 -4.933 288 HD3 PRO 38 2HD PRO 38 10.494 22.643 -6.194 289 H GLY 39 H GLY 39 11.541 20.174 -3.180 290 HA2 GLY 39 1HA GLY 39 13.103 20.176 -0.685 291 HA3 GLY 39 2HA GLY 39 11.348 20.150 -0.610 292 H GLY 40 H GLY 40 10.227 18.275 -1.190 293 HA2 GLY 40 1HA GLY 40 10.174 16.047 -2.107 294 HA3 GLY 40 2HA GLY 40 11.890 15.909 -1.753 295 H ASN 41 H ASN 41 8.995 16.778 0.142 296 HA ASN 41 HA ASN 41 9.704 14.633 2.026 297 HB2 ASN 41 1HB ASN 41 8.938 16.147 3.877 298 HB3 ASN 41 2HB ASN 41 10.419 16.670 3.081 299 HD21 ASN 41 1HD2 ASN 41 9.473 18.619 4.351 300 HD22 ASN 41 2HD2 ASN 41 8.531 19.713 3.401 301 H LEU 42 H LEU 42 8.117 13.258 1.262 302 HA LEU 42 HA LEU 42 5.397 13.972 2.048 303 HB2 LEU 42 1HB LEU 42 6.311 13.336 -0.701 304 HB3 LEU 42 2HB LEU 42 4.774 12.652 -0.177 305 HG LEU 42 HG LEU 42 5.327 15.596 0.026 306 HD11 LEU 42 1HD1 LEU 42 5.683 15.319 -2.248 307 HD12 LEU 42 2HD1 LEU 42 3.954 15.654 -2.159 308 HD13 LEU 42 3HD1 LEU 42 4.521 13.998 -2.373 309 HD21 LEU 42 1HD2 LEU 42 3.404 15.182 1.197 310 HD22 LEU 42 2HD2 LEU 42 2.962 13.795 0.201 311 HD23 LEU 42 3HD2 LEU 42 2.739 15.433 -0.417 312 H SER 43 H SER 43 3.975 12.096 2.231 313 HA SER 43 HA SER 43 5.494 9.624 2.754 314 HB2 SER 43 1HB SER 43 3.097 10.759 4.208 315 HB3 SER 43 2HB SER 43 3.727 9.134 4.475 316 HG SER 43 HG SER 43 4.717 10.373 5.978 317 H TYR 44 H TYR 44 3.871 7.683 2.890 318 HA TYR 44 HA TYR 44 1.839 7.873 0.791 319 HB2 TYR 44 1HB TYR 44 3.913 5.676 0.834 320 HB3 TYR 44 2HB TYR 44 2.661 5.934 -0.377 321 HD1 TYR 44 2HD TYR 44 2.770 8.190 -1.670 322 HD2 TYR 44 1HD TYR 44 6.043 6.531 0.482 323 HE1 TYR 44 2HE TYR 44 4.326 9.560 -2.994 324 HE2 TYR 44 1HE TYR 44 7.609 7.897 -0.834 325 HH TYR 44 HH TYR 44 7.333 9.036 -3.418 326 H GLU 45 H GLU 45 0.056 6.674 1.171 327 HA GLU 45 HA GLU 45 0.023 5.103 3.645 328 HB2 GLU 45 1HB GLU 45 -1.622 6.919 3.447 329 HB3 GLU 45 2HB GLU 45 -2.266 6.179 1.989 330 HG2 GLU 45 1HG GLU 45 -3.766 5.479 3.576 331 HG3 GLU 45 2HG GLU 45 -2.649 4.116 3.512 332 H LEU 46 H LEU 46 0.010 2.963 3.566 333 HA LEU 46 HA LEU 46 -0.731 1.655 1.037 334 HB2 LEU 46 1HB LEU 46 1.612 1.443 2.231 335 HB3 LEU 46 2HB LEU 46 0.758 0.231 3.184 336 HG LEU 46 HG LEU 46 2.047 -0.723 1.303 337 HD11 LEU 46 1HD1 LEU 46 -0.644 -1.352 0.406 338 HD12 LEU 46 2HD1 LEU 46 -0.489 -1.366 2.162 339 HD13 LEU 46 3HD1 LEU 46 0.564 -2.380 1.177 340 HD21 LEU 46 1HD2 LEU 46 1.981 0.165 -0.727 341 HD22 LEU 46 2HD2 LEU 46 0.882 1.408 -0.127 342 HD23 LEU 46 3HD2 LEU 46 0.237 -0.084 -0.813 343 H HIS 47 H HIS 47 -2.330 0.175 0.981 344 HA HIS 47 HA HIS 47 -3.444 -0.801 3.511 345 HB2 HIS 47 1HB HIS 47 -4.716 1.226 2.605 346 HB3 HIS 47 2HB HIS 47 -5.227 0.178 1.285 347 HD1 HIS 47 1HD HIS 47 -7.275 1.397 3.240 348 HD2 HIS 47 2HD HIS 47 -5.584 -2.374 3.669 349 HE1 HIS 47 1HE HIS 47 -8.890 0.093 4.660 350 HE2 HIS 47 2HE HIS 47 -7.804 -2.157 4.977 351 H VAL 48 H VAL 48 -3.303 -2.938 3.410 352 HA VAL 48 HA VAL 48 -3.675 -4.270 0.815 353 HB VAL 48 HB VAL 48 -2.386 -5.328 3.334 354 HG11 VAL 48 1HG1 VAL 48 -2.882 -6.552 0.637 355 HG12 VAL 48 2HG1 VAL 48 -1.603 -7.132 1.707 356 HG13 VAL 48 3HG1 VAL 48 -3.287 -7.192 2.230 357 HG21 VAL 48 1HG2 VAL 48 -0.336 -4.821 2.470 358 HG22 VAL 48 2HG2 VAL 48 -0.892 -4.917 0.799 359 HG23 VAL 48 3HG2 VAL 48 -1.273 -3.498 1.775 360 H LEU 49 H LEU 49 -5.284 -5.706 0.499 361 HA LEU 49 HA LEU 49 -7.007 -6.343 2.803 362 HB2 LEU 49 1HB LEU 49 -7.809 -5.850 -0.060 363 HB3 LEU 49 2HB LEU 49 -8.898 -6.391 1.215 364 HG LEU 49 HG LEU 49 -8.063 -4.160 2.374 365 HD11 LEU 49 1HD1 LEU 49 -6.502 -3.743 0.419 366 HD12 LEU 49 2HD1 LEU 49 -7.551 -2.407 0.891 367 HD13 LEU 49 3HD1 LEU 49 -7.947 -3.380 -0.526 368 HD21 LEU 49 1HD2 LEU 49 -10.127 -3.325 1.912 369 HD22 LEU 49 2HD2 LEU 49 -10.377 -4.983 1.363 370 HD23 LEU 49 3HD2 LEU 49 -10.023 -3.709 0.194 371 H ASN 50 H ASN 50 -7.015 -8.428 3.284 372 HA ASN 50 HA ASN 50 -6.136 -10.375 1.303 373 HB2 ASN 50 1HB ASN 50 -5.060 -10.921 3.250 374 HB3 ASN 50 2HB ASN 50 -6.362 -10.313 4.267 375 HD21 ASN 50 1HD2 ASN 50 -4.980 -13.034 2.760 376 HD22 ASN 50 2HD2 ASN 50 -6.139 -14.203 3.282 377 H GLN 51 H GLN 51 -7.318 -12.553 1.389 378 HA GLN 51 HA GLN 51 -9.768 -12.410 0.242 379 HB2 GLN 51 1HB GLN 51 -8.446 -14.543 1.865 380 HB3 GLN 51 2HB GLN 51 -10.116 -14.771 1.363 381 HG2 GLN 51 1HG GLN 51 -7.959 -14.070 -0.596 382 HG3 GLN 51 2HG GLN 51 -8.288 -15.736 -0.121 383 HE21 GLN 51 1HE2 GLN 51 -8.627 -15.694 -2.560 384 HE22 GLN 51 2HE2 GLN 51 -10.246 -15.423 -3.097 385 H ASP 52 H ASP 52 -9.479 -13.517 3.616 386 HA ASP 52 HA ASP 52 -12.062 -12.210 4.159 387 HB2 ASP 52 1HB ASP 52 -10.875 -14.791 5.049 388 HB3 ASP 52 2HB ASP 52 -11.896 -13.928 6.195 389 H GLU 53 H GLU 53 -9.331 -11.047 4.307 390 HA GLU 53 HA GLU 53 -9.570 -9.988 7.014 391 HB2 GLU 53 1HB GLU 53 -7.054 -11.233 5.903 392 HB3 GLU 53 2HB GLU 53 -7.069 -10.165 7.300 393 HG2 GLU 53 1HG GLU 53 -8.734 -12.655 7.190 394 HG3 GLU 53 2HG GLU 53 -7.057 -12.670 7.731 395 H GLU 54 H GLU 54 -8.334 -7.994 7.322 396 HA GLU 54 HA GLU 54 -7.376 -6.677 4.913 397 HB2 GLU 54 1HB GLU 54 -9.472 -5.836 4.593 398 HB3 GLU 54 2HB GLU 54 -9.918 -6.012 6.285 399 HG2 GLU 54 1HG GLU 54 -7.880 -3.971 5.610 400 HG3 GLU 54 2HG GLU 54 -9.550 -3.650 5.148 401 H TRP 55 H TRP 55 -5.667 -5.437 5.349 402 HA TRP 55 HA TRP 55 -5.395 -4.152 7.944 403 HB2 TRP 55 1HB TRP 55 -3.358 -5.162 8.560 404 HB3 TRP 55 2HB TRP 55 -4.374 -6.504 8.041 405 HD1 TRP 55 HD TRP 55 -1.463 -4.328 6.723 406 HE1 TRP 55 1HE TRP 55 -0.138 -5.720 5.011 407 HE3 TRP 55 3HE TRP 55 -4.449 -8.475 6.563 408 HZ2 TRP 55 2HZ TRP 55 -0.332 -8.242 3.758 409 HZ3 TRP 55 3HZ TRP 55 -3.809 -10.332 5.082 410 HH2 TRP 55 HH TRP 55 -1.793 -10.216 3.708 411 H HIS 56 H HIS 56 -4.198 -2.300 7.879 412 HA HIS 56 HA HIS 56 -2.868 -1.656 5.331 413 HB2 HIS 56 1HB HIS 56 -3.614 0.748 5.817 414 HB3 HIS 56 2HB HIS 56 -4.845 -0.377 5.249 415 HD1 HIS 56 1HD HIS 56 -6.597 1.259 6.371 416 HD2 HIS 56 2HD HIS 56 -4.030 -0.680 9.000 417 HE1 HIS 56 1HE HIS 56 -7.635 1.528 8.646 418 HE2 HIS 56 2HE HIS 56 -6.021 0.421 10.231 419 H GLN 57 H GLN 57 -1.206 0.016 5.495 420 HA GLN 57 HA GLN 57 -0.179 0.685 8.103 421 HB2 GLN 57 1HB GLN 57 2.008 -0.387 7.779 422 HB3 GLN 57 2HB GLN 57 0.711 -1.571 7.862 423 HG2 GLN 57 1HG GLN 57 0.734 -1.783 5.437 424 HG3 GLN 57 2HG GLN 57 2.018 -0.579 5.339 425 HE21 GLN 57 1HE2 GLN 57 3.929 -1.148 6.848 426 HE22 GLN 57 2HE2 GLN 57 4.489 -2.778 6.738 427 H MET 58 H MET 58 0.588 2.682 7.968 428 HA MET 58 HA MET 58 0.975 3.955 5.440 429 HB2 MET 58 1HB MET 58 0.077 5.101 7.469 430 HB3 MET 58 2HB MET 58 1.678 4.995 8.189 431 HG2 MET 58 1HG MET 58 2.421 6.219 6.008 432 HG3 MET 58 2HG MET 58 0.722 6.681 5.929 433 HE1 MET 58 1HE MET 58 3.651 9.227 7.600 434 HE2 MET 58 2HE MET 58 4.206 7.563 7.785 435 HE3 MET 58 3HE MET 58 3.593 8.121 6.227 436 H VAL 59 H VAL 59 2.797 4.264 4.316 437 HA VAL 59 HA VAL 59 5.357 3.591 5.616 438 HB VAL 59 HB VAL 59 6.167 2.767 3.444 439 HG11 VAL 59 1HG1 VAL 59 4.993 1.318 5.195 440 HG12 VAL 59 2HG1 VAL 59 3.621 1.313 4.085 441 HG13 VAL 59 3HG1 VAL 59 5.174 0.652 3.573 442 HG21 VAL 59 1HG2 VAL 59 4.242 2.220 1.776 443 HG22 VAL 59 2HG2 VAL 59 3.416 3.554 2.582 444 HG23 VAL 59 3HG2 VAL 59 4.964 3.829 1.783 445 H LEU 60 H LEU 60 7.240 4.672 4.761 446 HA LEU 60 HA LEU 60 6.593 7.367 3.801 447 HB2 LEU 60 1HB LEU 60 9.146 6.344 5.035 448 HB3 LEU 60 2HB LEU 60 8.769 8.022 4.649 449 HG LEU 60 HG LEU 60 7.269 6.385 6.689 450 HD11 LEU 60 1HD1 LEU 60 8.523 7.611 8.375 451 HD12 LEU 60 2HD1 LEU 60 9.471 8.400 7.115 452 HD13 LEU 60 3HD1 LEU 60 9.606 6.659 7.358 453 HD21 LEU 60 1HD2 LEU 60 6.249 8.407 7.333 454 HD22 LEU 60 2HD2 LEU 60 6.156 8.373 5.572 455 HD23 LEU 60 3HD2 LEU 60 7.370 9.372 6.372 456 H GLU 61 H GLU 61 8.491 4.515 3.066 457 HA GLU 61 HA GLU 61 9.789 5.774 0.801 458 HB2 GLU 61 1HB GLU 61 10.737 3.479 0.436 459 HB3 GLU 61 2HB GLU 61 11.114 4.190 1.998 460 HG2 GLU 61 1HG GLU 61 8.723 2.445 1.799 461 HG3 GLU 61 2HG GLU 61 10.315 1.690 1.757 462 HA PRO 62 HA PRO 62 6.883 4.676 -2.299 463 HB2 PRO 62 1HB PRO 62 8.520 4.191 -4.409 464 HB3 PRO 62 2HB PRO 62 8.216 5.816 -3.783 465 HG2 PRO 62 1HG PRO 62 10.544 4.001 -3.289 466 HG3 PRO 62 2HG PRO 62 10.534 5.744 -3.614 467 HD2 PRO 62 1HD PRO 62 10.807 4.729 -1.118 468 HD3 PRO 62 2HD PRO 62 9.993 6.274 -1.437 469 H ARG 63 H ARG 63 8.799 2.441 -0.840 470 HA ARG 63 HA ARG 63 7.585 0.243 -2.374 471 HB2 ARG 63 1HB ARG 63 9.562 -1.074 -2.200 472 HB3 ARG 63 2HB ARG 63 10.054 0.501 -2.808 473 HG2 ARG 63 1HG ARG 63 10.955 1.130 -0.711 474 HG3 ARG 63 2HG ARG 63 10.216 -0.255 0.095 475 HD2 ARG 63 1HD ARG 63 11.747 -1.744 -0.768 476 HD3 ARG 63 2HD ARG 63 12.115 -0.721 -2.157 477 HE ARG 63 HE ARG 63 12.933 0.336 0.408 478 HH11 ARG 63 2HH1 ARG 63 13.824 -1.524 -2.396 479 HH12 ARG 63 1HH1 ARG 63 15.526 -1.292 -2.171 480 HH21 ARG 63 2HH2 ARG 63 15.172 0.648 0.716 481 HH22 ARG 63 1HH2 ARG 63 16.292 -0.057 -0.400 482 H VAL 64 H VAL 64 6.940 -1.568 -1.188 483 HA VAL 64 HA VAL 64 7.049 -1.294 1.742 484 HB VAL 64 HB VAL 64 4.826 -0.614 1.014 485 HG11 VAL 64 1HG1 VAL 64 3.335 -2.222 -0.115 486 HG12 VAL 64 2HG1 VAL 64 4.715 -1.763 -1.114 487 HG13 VAL 64 3HG1 VAL 64 4.696 -3.327 -0.298 488 HG21 VAL 64 1HG2 VAL 64 4.714 -1.617 3.099 489 HG22 VAL 64 2HG2 VAL 64 3.524 -2.535 2.177 490 HG23 VAL 64 3HG2 VAL 64 5.126 -3.212 2.468 491 H LEU 65 H LEU 65 7.515 -3.111 2.853 492 HA LEU 65 HA LEU 65 7.843 -5.585 1.292 493 HB2 LEU 65 1HB LEU 65 9.791 -4.323 2.544 494 HB3 LEU 65 2HB LEU 65 9.150 -5.189 3.938 495 HG LEU 65 HG LEU 65 11.016 -6.399 2.998 496 HD11 LEU 65 1HD1 LEU 65 9.919 -8.559 2.555 497 HD12 LEU 65 2HD1 LEU 65 8.371 -7.726 2.422 498 HD13 LEU 65 3HD1 LEU 65 9.241 -7.729 3.956 499 HD21 LEU 65 1HD2 LEU 65 9.577 -6.967 0.464 500 HD22 LEU 65 2HD2 LEU 65 11.308 -6.908 0.797 501 HD23 LEU 65 3HD2 LEU 65 10.391 -5.411 0.620 502 H LEU 66 H LEU 66 6.036 -6.756 1.575 503 HA LEU 66 HA LEU 66 4.865 -6.958 4.251 504 HB2 LEU 66 1HB LEU 66 3.820 -7.979 1.614 505 HB3 LEU 66 2HB LEU 66 2.954 -7.978 3.149 506 HG LEU 66 HG LEU 66 3.885 -5.388 1.987 507 HD11 LEU 66 1HD1 LEU 66 2.159 -5.205 0.485 508 HD12 LEU 66 2HD1 LEU 66 1.196 -6.456 1.269 509 HD13 LEU 66 3HD1 LEU 66 2.595 -6.903 0.294 510 HD21 LEU 66 1HD2 LEU 66 1.249 -5.748 3.260 511 HD22 LEU 66 2HD2 LEU 66 2.439 -4.459 3.450 512 HD23 LEU 66 3HD2 LEU 66 2.653 -5.991 4.300 513 H THR 67 H THR 67 5.318 -8.634 5.502 514 HA THR 67 HA THR 67 6.271 -11.120 4.236 515 HB THR 67 HB THR 67 7.392 -11.550 6.480 516 HG1 THR 67 1HG THR 67 7.827 -9.575 7.664 517 HG21 THR 67 1HG2 THR 67 9.356 -10.600 5.747 518 HG22 THR 67 2HG2 THR 67 8.573 -9.098 5.258 519 HG23 THR 67 3HG2 THR 67 8.401 -10.546 4.266 520 H LYS 68 H LYS 68 6.099 -12.958 6.076 521 HA LYS 68 HA LYS 68 4.674 -14.430 7.066 522 HB2 LYS 68 1HB LYS 68 3.943 -11.792 8.237 523 HB3 LYS 68 2HB LYS 68 2.863 -13.146 8.545 524 HG2 LYS 68 1HG LYS 68 4.570 -14.378 9.630 525 HG3 LYS 68 2HG LYS 68 5.817 -13.252 9.088 526 HD2 LYS 68 1HD LYS 68 5.033 -11.546 10.532 527 HD3 LYS 68 2HD LYS 68 3.538 -12.421 10.871 528 HE2 LYS 68 1HE LYS 68 5.063 -14.244 11.839 529 HE3 LYS 68 2HE LYS 68 6.323 -13.011 11.823 530 HZ1 LYS 68 1HZ LYS 68 3.806 -13.043 13.371 531 HZ2 LYS 68 2HZ LYS 68 4.657 -11.605 13.105 532 HZ3 LYS 68 3HZ LYS 68 5.391 -12.881 13.939 533 H LEU 69 H LEU 69 4.047 -13.987 4.455 534 HA LEU 69 HA LEU 69 1.120 -13.717 4.400 535 HB2 LEU 69 1HB LEU 69 2.911 -13.797 1.995 536 HB3 LEU 69 2HB LEU 69 1.266 -13.177 2.119 537 HG LEU 69 HG LEU 69 3.609 -11.878 3.492 538 HD11 LEU 69 1HD1 LEU 69 2.987 -11.947 0.689 539 HD12 LEU 69 2HD1 LEU 69 4.330 -11.163 1.521 540 HD13 LEU 69 3HD1 LEU 69 2.800 -10.311 1.321 541 HD21 LEU 69 1HD2 LEU 69 0.727 -11.319 3.184 542 HD22 LEU 69 2HD2 LEU 69 1.813 -9.939 3.025 543 HD23 LEU 69 3HD2 LEU 69 1.831 -10.911 4.497 544 H GLN 70 H GLN 70 0.355 -15.081 2.264 545 HA GLN 70 HA GLN 70 1.267 -17.839 2.757 546 HB2 GLN 70 1HB GLN 70 -1.515 -16.826 2.159 547 HB3 GLN 70 2HB GLN 70 -1.069 -18.527 2.147 548 HG2 GLN 70 1HG GLN 70 -0.813 -16.707 4.529 549 HG3 GLN 70 2HG GLN 70 -2.163 -17.803 4.237 550 HE21 GLN 70 1HE2 GLN 70 -1.774 -20.059 4.276 551 HE22 GLN 70 2HE2 GLN 70 -0.429 -20.711 5.142 552 HA PRO 71 HA PRO 71 2.246 -18.052 -1.530 553 HB2 PRO 71 1HB PRO 71 2.200 -20.748 -1.838 554 HB3 PRO 71 2HB PRO 71 3.501 -19.900 -0.995 555 HG2 PRO 71 1HG PRO 71 1.135 -21.342 0.137 556 HG3 PRO 71 2HG PRO 71 2.824 -21.367 0.677 557 HD2 PRO 71 1HD PRO 71 0.926 -19.870 1.898 558 HD3 PRO 71 2HD PRO 71 2.625 -19.365 1.802 559 H ASP 72 H ASP 72 1.333 -18.536 -3.565 560 HA ASP 72 HA ASP 72 -0.436 -18.492 -5.017 561 HB2 ASP 72 1HB ASP 72 -0.598 -21.029 -3.487 562 HB3 ASP 72 2HB ASP 72 -2.003 -20.608 -4.462 563 H THR 73 H THR 73 -0.920 -16.602 -3.222 564 HA THR 73 HA THR 73 -3.803 -16.867 -2.706 565 HB THR 73 HB THR 73 -1.751 -15.692 -0.826 566 HG1 THR 73 1HG THR 73 -3.726 -17.631 -0.229 567 HG21 THR 73 1HG2 THR 73 -3.592 -14.182 -0.785 568 HG22 THR 73 2HG2 THR 73 -3.762 -15.225 0.627 569 HG23 THR 73 3HG2 THR 73 -4.759 -15.503 -0.800 570 H THR 74 H THR 74 -5.027 -15.130 -3.241 571 HA THR 74 HA THR 74 -3.747 -13.035 -4.773 572 HB THR 74 HB THR 74 -6.684 -13.444 -4.172 573 HG1 THR 74 1HG THR 74 -6.115 -15.146 -5.418 574 HG21 THR 74 1HG2 THR 74 -5.505 -11.884 -6.455 575 HG22 THR 74 2HG2 THR 74 -5.844 -11.130 -4.897 576 HG23 THR 74 3HG2 THR 74 -7.154 -11.852 -5.831 577 H TYR 75 H TYR 75 -3.077 -11.192 -3.911 578 HA TYR 75 HA TYR 75 -4.469 -10.165 -1.525 579 HB2 TYR 75 1HB TYR 75 -1.534 -10.218 -2.187 580 HB3 TYR 75 2HB TYR 75 -2.190 -9.063 -1.032 581 HD1 TYR 75 2HD TYR 75 -3.385 -9.946 1.014 582 HD2 TYR 75 1HD TYR 75 -1.092 -12.445 -1.556 583 HE1 TYR 75 2HE TYR 75 -3.246 -11.639 2.793 584 HE2 TYR 75 1HE TYR 75 -0.948 -14.145 0.215 585 HH TYR 75 HH TYR 75 -1.505 -14.697 2.288 586 H ILE 76 H ILE 76 -5.088 -8.068 -1.528 587 HA ILE 76 HA ILE 76 -4.653 -6.574 -4.015 588 HB ILE 76 HB ILE 76 -6.670 -5.988 -1.849 589 HG12 ILE 76 1HG1 ILE 76 -7.053 -8.214 -2.854 590 HG13 ILE 76 2HG1 ILE 76 -8.327 -7.074 -3.271 591 HG21 ILE 76 1HG2 ILE 76 -6.321 -4.990 -4.669 592 HG22 ILE 76 2HG2 ILE 76 -7.773 -4.723 -3.706 593 HG23 ILE 76 3HG2 ILE 76 -6.230 -4.056 -3.176 594 HD11 ILE 76 1HD1 ILE 76 -7.831 -8.295 -5.225 595 HD12 ILE 76 2HD1 ILE 76 -7.119 -6.696 -5.442 596 HD13 ILE 76 3HD1 ILE 76 -6.095 -8.067 -5.013 597 H VAL 77 H VAL 77 -3.364 -4.858 -4.049 598 HA VAL 77 HA VAL 77 -2.694 -3.554 -1.491 599 HB VAL 77 HB VAL 77 -0.862 -3.816 -3.877 600 HG11 VAL 77 1HG1 VAL 77 -0.671 -1.843 -2.231 601 HG12 VAL 77 2HG1 VAL 77 -0.069 -3.048 -1.092 602 HG13 VAL 77 3HG1 VAL 77 0.782 -2.766 -2.611 603 HG21 VAL 77 1HG2 VAL 77 0.422 -5.339 -2.296 604 HG22 VAL 77 2HG2 VAL 77 -1.060 -5.422 -1.343 605 HG23 VAL 77 3HG2 VAL 77 -1.050 -5.998 -3.010 606 H ARG 78 H ARG 78 -2.589 -1.332 -1.443 607 HA ARG 78 HA ARG 78 -2.974 0.178 -3.899 608 HB2 ARG 78 1HB ARG 78 -4.903 1.428 -2.883 609 HB3 ARG 78 2HB ARG 78 -5.256 -0.235 -3.334 610 HG2 ARG 78 1HG ARG 78 -5.221 -0.954 -1.085 611 HG3 ARG 78 2HG ARG 78 -4.508 0.564 -0.538 612 HD2 ARG 78 1HD ARG 78 -6.680 0.954 0.027 613 HD3 ARG 78 2HD ARG 78 -6.703 1.562 -1.628 614 HE ARG 78 HE ARG 78 -7.377 -1.224 -1.406 615 HH11 ARG 78 2HH1 ARG 78 -8.591 2.037 -1.293 616 HH12 ARG 78 1HH1 ARG 78 -10.214 1.585 -1.698 617 HH21 ARG 78 2HH2 ARG 78 -9.510 -1.831 -1.939 618 HH22 ARG 78 1HH2 ARG 78 -10.736 -0.615 -2.064 619 H VAL 79 H VAL 79 -1.691 1.895 -3.844 620 HA VAL 79 HA VAL 79 -1.028 3.078 -1.227 621 HB VAL 79 HB VAL 79 0.856 1.765 -2.282 622 HG11 VAL 79 1HG1 VAL 79 1.660 2.226 -4.323 623 HG12 VAL 79 2HG1 VAL 79 0.113 3.034 -4.582 624 HG13 VAL 79 3HG1 VAL 79 1.525 3.968 -4.087 625 HG21 VAL 79 1HG2 VAL 79 1.907 3.079 -0.817 626 HG22 VAL 79 2HG2 VAL 79 2.299 4.120 -2.187 627 HG23 VAL 79 3HG2 VAL 79 0.878 4.460 -1.199 628 H ARG 80 H ARG 80 -0.915 5.295 -1.103 629 HA ARG 80 HA ARG 80 -1.261 6.881 -3.522 630 HB2 ARG 80 1HB ARG 80 -3.216 8.052 -2.686 631 HB3 ARG 80 2HB ARG 80 -3.553 6.329 -2.790 632 HG2 ARG 80 1HG ARG 80 -4.439 6.750 -0.747 633 HG3 ARG 80 2HG ARG 80 -2.779 6.398 -0.261 634 HD2 ARG 80 1HD ARG 80 -2.258 8.732 -0.124 635 HD3 ARG 80 2HD ARG 80 -3.813 9.170 -0.832 636 HE ARG 80 HE ARG 80 -3.297 8.394 1.908 637 HH11 ARG 80 2HH1 ARG 80 -5.673 8.868 -0.591 638 HH12 ARG 80 1HH1 ARG 80 -6.993 9.049 0.517 639 HH21 ARG 80 2HH2 ARG 80 -5.026 8.631 3.377 640 HH22 ARG 80 1HH2 ARG 80 -6.623 8.915 2.774 641 H THR 81 H THR 81 -0.557 8.994 -3.330 642 HA THR 81 HA THR 81 1.324 9.501 -1.248 643 HB THR 81 HB THR 81 0.280 11.365 -3.390 644 HG1 THR 81 1HG THR 81 1.500 10.153 -4.615 645 HG21 THR 81 1HG2 THR 81 2.106 11.760 -1.157 646 HG22 THR 81 2HG2 THR 81 1.363 12.945 -2.231 647 HG23 THR 81 3HG2 THR 81 2.849 12.129 -2.713 648 H LEU 82 H LEU 82 1.009 10.444 0.657 649 HA LEU 82 HA LEU 82 -1.596 11.556 1.286 650 HB2 LEU 82 1HB LEU 82 0.753 10.606 2.816 651 HB3 LEU 82 2HB LEU 82 -0.237 11.855 3.569 652 HG LEU 82 HG LEU 82 -1.255 9.175 2.624 653 HD11 LEU 82 1HD1 LEU 82 0.354 9.541 4.757 654 HD12 LEU 82 2HD1 LEU 82 -0.910 8.314 4.673 655 HD13 LEU 82 3HD1 LEU 82 -1.222 9.847 5.488 656 HD21 LEU 82 1HD2 LEU 82 -2.795 10.717 4.571 657 HD22 LEU 82 2HD2 LEU 82 -3.326 9.860 3.123 658 HD23 LEU 82 3HD2 LEU 82 -2.664 11.490 2.991 659 H THR 83 H THR 83 -2.038 13.657 1.738 660 HA THR 83 HA THR 83 0.183 15.578 1.732 661 HB THR 83 HB THR 83 -0.823 17.022 0.170 662 HG1 THR 83 1HG THR 83 -3.015 16.147 -0.701 663 HG21 THR 83 1HG2 THR 83 -0.291 14.337 -0.539 664 HG22 THR 83 2HG2 THR 83 -0.201 15.770 -1.563 665 HG23 THR 83 3HG2 THR 83 -1.701 14.849 -1.465 666 HA PRO 84 HA PRO 84 -1.876 17.423 5.146 667 HB2 PRO 84 1HB PRO 84 -1.083 20.005 4.877 668 HB3 PRO 84 2HB PRO 84 0.003 18.718 5.415 669 HG2 PRO 84 1HG PRO 84 -0.289 19.937 2.697 670 HG3 PRO 84 2HG PRO 84 1.189 19.507 3.577 671 HD2 PRO 84 1HD PRO 84 0.151 17.946 1.623 672 HD3 PRO 84 2HD PRO 84 1.024 17.277 3.016 673 H LEU 85 H LEU 85 -2.251 18.998 2.002 674 HA LEU 85 HA LEU 85 -4.981 19.766 2.796 675 HB2 LEU 85 1HB LEU 85 -3.047 21.299 1.068 676 HB3 LEU 85 2HB LEU 85 -4.751 21.706 1.255 677 HG LEU 85 HG LEU 85 -2.626 21.797 3.394 678 HD11 LEU 85 1HD1 LEU 85 -2.997 24.178 3.361 679 HD12 LEU 85 2HD1 LEU 85 -4.257 24.000 2.140 680 HD13 LEU 85 3HD1 LEU 85 -2.580 23.628 1.737 681 HD21 LEU 85 1HD2 LEU 85 -4.733 21.048 4.343 682 HD22 LEU 85 2HD2 LEU 85 -5.580 22.386 3.566 683 HD23 LEU 85 3HD2 LEU 85 -4.394 22.708 4.832 684 H GLY 86 H GLY 86 -5.945 17.974 1.862 685 HA2 GLY 86 1HA GLY 86 -7.167 17.118 0.065 686 HA3 GLY 86 2HA GLY 86 -6.219 18.118 -1.026 687 HA PRO 87 HA PRO 87 -3.621 14.128 -0.076 688 HB2 PRO 87 1HB PRO 87 -5.003 12.069 1.028 689 HB3 PRO 87 2HB PRO 87 -4.150 13.280 1.993 690 HG2 PRO 87 1HG PRO 87 -7.062 13.103 1.320 691 HG3 PRO 87 2HG PRO 87 -6.293 13.502 2.867 692 HD2 PRO 87 1HD PRO 87 -7.301 15.392 1.211 693 HD3 PRO 87 2HD PRO 87 -5.890 15.685 2.247 694 H GLY 88 H GLY 88 -3.283 12.843 -1.797 695 HA2 GLY 88 1HA GLY 88 -5.091 12.637 -3.901 696 HA3 GLY 88 2HA GLY 88 -3.676 11.615 -3.695 697 HA PRO 89 HA PRO 89 -7.823 9.326 -3.024 698 HB2 PRO 89 1HB PRO 89 -8.095 8.178 -5.469 699 HB3 PRO 89 2HB PRO 89 -8.806 9.743 -5.059 700 HG2 PRO 89 1HG PRO 89 -6.281 9.143 -6.550 701 HG3 PRO 89 2HG PRO 89 -7.530 10.350 -6.906 702 HD2 PRO 89 1HD PRO 89 -5.193 10.985 -5.694 703 HD3 PRO 89 2HD PRO 89 -6.710 11.841 -5.350 704 H PHE 90 H PHE 90 -8.095 6.941 -3.185 705 HA PHE 90 HA PHE 90 -5.546 5.642 -2.707 706 HB2 PHE 90 1HB PHE 90 -8.400 5.023 -2.142 707 HB3 PHE 90 2HB PHE 90 -7.301 3.659 -2.315 708 HD1 PHE 90 2HD PHE 90 -5.154 3.712 -0.892 709 HD2 PHE 90 1HD PHE 90 -8.573 6.126 -0.117 710 HE1 PHE 90 2HE PHE 90 -4.407 4.018 1.432 711 HE2 PHE 90 1HE PHE 90 -7.831 6.436 2.208 712 HZ PHE 90 HZ PHE 90 -5.746 5.381 2.986 713 H SER 91 H SER 91 -4.476 4.545 -4.201 714 HA SER 91 HA SER 91 -5.089 4.289 -6.833 715 HB2 SER 91 1HB SER 91 -3.267 2.887 -7.024 716 HB3 SER 91 2HB SER 91 -2.955 3.579 -5.432 717 HG SER 91 HG SER 91 -4.392 1.598 -4.827 718 HA PRO 92 HA PRO 92 -8.273 1.319 -7.379 719 HB2 PRO 92 1HB PRO 92 -7.530 0.161 -9.719 720 HB3 PRO 92 2HB PRO 92 -8.178 1.802 -9.623 721 HG2 PRO 92 1HG PRO 92 -5.332 0.899 -9.832 722 HG3 PRO 92 2HG PRO 92 -6.148 2.229 -10.674 723 HD2 PRO 92 1HD PRO 92 -4.559 2.627 -8.518 724 HD3 PRO 92 2HD PRO 92 -5.967 3.651 -8.869 725 H ASP 93 H ASP 93 -8.699 -0.660 -6.612 726 HA ASP 93 HA ASP 93 -6.986 -2.292 -5.317 727 HB2 ASP 93 1HB ASP 93 -8.593 -4.108 -5.583 728 HB3 ASP 93 2HB ASP 93 -9.437 -2.584 -5.323 729 H HIS 94 H HIS 94 -5.097 -3.073 -5.980 730 HA HIS 94 HA HIS 94 -4.788 -3.988 -8.738 731 HB2 HIS 94 1HB HIS 94 -2.854 -3.312 -6.537 732 HB3 HIS 94 2HB HIS 94 -2.332 -4.223 -7.951 733 HD1 HIS 94 1HD HIS 94 -3.698 -0.845 -6.980 734 HD2 HIS 94 2HD HIS 94 -1.901 -2.724 -10.221 735 HE1 HIS 94 1HE HIS 94 -3.167 0.992 -8.614 736 HE2 HIS 94 2HE HIS 94 -2.159 -0.179 -10.602 737 H GLU 95 H GLU 95 -5.368 -6.033 -9.079 738 HA GLU 95 HA GLU 95 -5.372 -8.024 -7.039 739 HB2 GLU 95 1HB GLU 95 -5.968 -7.958 -9.961 740 HB3 GLU 95 2HB GLU 95 -5.672 -9.520 -9.210 741 HG2 GLU 95 1HG GLU 95 -7.571 -9.432 -7.943 742 HG3 GLU 95 2HG GLU 95 -7.608 -7.670 -7.922 743 H PHE 96 H PHE 96 -3.556 -8.846 -6.238 744 HA PHE 96 HA PHE 96 -1.367 -9.483 -8.105 745 HB2 PHE 96 1HB PHE 96 -1.299 -8.550 -5.241 746 HB3 PHE 96 2HB PHE 96 0.081 -9.349 -5.988 747 HD1 PHE 96 1HD PHE 96 0.992 -8.318 -8.156 748 HD2 PHE 96 2HD PHE 96 -1.592 -6.264 -5.469 749 HE1 PHE 96 1HE PHE 96 1.729 -6.168 -9.097 750 HE2 PHE 96 2HE PHE 96 -0.860 -4.111 -6.406 751 HZ PHE 96 HZ PHE 96 0.802 -4.060 -8.223 752 H ARG 97 H ARG 97 -0.062 -11.365 -7.548 753 HA ARG 97 HA ARG 97 -1.417 -13.334 -5.851 754 HB2 ARG 97 1HB ARG 97 -2.067 -13.601 -8.293 755 HB3 ARG 97 2HB ARG 97 -0.389 -14.029 -8.600 756 HG2 ARG 97 1HG ARG 97 -0.611 -15.897 -6.999 757 HG3 ARG 97 2HG ARG 97 -2.318 -15.493 -6.813 758 HD2 ARG 97 1HD ARG 97 -2.177 -17.269 -8.392 759 HD3 ARG 97 2HD ARG 97 -2.568 -15.800 -9.286 760 HE ARG 97 HE ARG 97 0.109 -15.887 -9.475 761 HH11 ARG 97 2HH1 ARG 97 -2.354 -18.282 -10.038 762 HH12 ARG 97 1HH1 ARG 97 -1.448 -19.116 -11.257 763 HH21 ARG 97 2HH2 ARG 97 1.312 -16.976 -11.078 764 HH22 ARG 97 1HH2 ARG 97 0.637 -18.373 -11.847 765 H THR 98 H THR 98 -0.050 -14.390 -4.564 766 HA THR 98 HA THR 98 2.748 -13.818 -4.650 767 HB THR 98 HB THR 98 2.852 -15.514 -2.755 768 HG1 THR 98 1HG THR 98 0.975 -16.696 -3.249 769 HG21 THR 98 1HG2 THR 98 0.997 -13.856 -1.508 770 HG22 THR 98 2HG2 THR 98 1.629 -12.889 -2.840 771 HG23 THR 98 3HG2 THR 98 2.732 -13.577 -1.649 772 H SER 99 H SER 99 4.293 -15.784 -4.267 773 HA SER 99 HA SER 99 4.244 -17.315 -6.688 774 HB2 SER 99 1HB SER 99 6.424 -16.825 -6.163 775 HB3 SER 99 2HB SER 99 6.143 -16.934 -4.426 776 HG SER 99 HG SER 99 5.918 -19.271 -5.935 777 HA PRO 100 HA PRO 100 2.117 -20.876 -5.200 778 HB2 PRO 100 1HB PRO 100 2.972 -22.658 -7.062 779 HB3 PRO 100 2HB PRO 100 1.778 -21.402 -7.411 780 HG2 PRO 100 1HG PRO 100 4.715 -21.436 -7.989 781 HG3 PRO 100 2HG PRO 100 3.377 -20.900 -9.022 782 HD2 PRO 100 1HD PRO 100 4.934 -19.170 -7.638 783 HD3 PRO 100 2HD PRO 100 3.219 -18.855 -7.970 784 HA PRO 101 HA PRO 101 4.988 -23.046 -2.644 785 HB2 PRO 101 1HB PRO 101 3.457 -25.202 -2.026 786 HB3 PRO 101 2HB PRO 101 3.179 -23.597 -1.339 787 HG2 PRO 101 1HG PRO 101 1.784 -24.952 -3.615 788 HG3 PRO 101 2HG PRO 101 1.094 -24.000 -2.288 789 HD2 PRO 101 1HD PRO 101 1.482 -22.978 -4.765 790 HD3 PRO 101 2HD PRO 101 1.607 -21.991 -3.295 791 H SER 102 H SER 102 3.182 -25.151 -4.895 792 HA SER 102 HA SER 102 5.502 -26.895 -5.142 793 HB2 SER 102 1HB SER 102 3.973 -28.318 -6.499 794 HB3 SER 102 2HB SER 102 3.345 -27.980 -4.886 795 HG SER 102 HG SER 102 2.597 -26.136 -6.771 796 H GLY 103 H GLY 103 6.269 -27.566 -7.276 797 HA2 GLY 103 1HA GLY 103 5.644 -26.058 -9.609 798 HA3 GLY 103 2HA GLY 103 7.116 -25.460 -8.857 799 HA PRO 104 HA PRO 104 7.765 -30.006 -10.504 800 HB2 PRO 104 1HB PRO 104 6.282 -30.540 -12.715 801 HB3 PRO 104 2HB PRO 104 5.742 -30.931 -11.078 802 HG2 PRO 104 1HG PRO 104 5.016 -28.596 -12.805 803 HG3 PRO 104 2HG PRO 104 3.971 -29.599 -11.782 804 HD2 PRO 104 1HD PRO 104 4.859 -27.161 -11.009 805 HD3 PRO 104 2HD PRO 104 4.568 -28.481 -9.857 806 H SER 105 H SER 105 6.708 -27.652 -12.971 807 HA SER 105 HA SER 105 8.798 -28.268 -14.786 808 HB2 SER 105 1HB SER 105 6.579 -27.143 -15.329 809 HB3 SER 105 2HB SER 105 7.276 -25.661 -14.676 810 HG SER 105 HG SER 105 9.001 -25.980 -16.238 811 H SER 106 H SER 106 8.292 -25.463 -12.644 812 HA SER 106 HA SER 106 10.950 -24.473 -13.122 813 HB2 SER 106 1HB SER 106 9.218 -22.852 -12.714 814 HB3 SER 106 2HB SER 106 8.782 -23.627 -11.190 815 HG SER 106 HG SER 106 11.378 -22.613 -11.636 816 H GLY 107 H GLY 107 12.725 -25.184 -12.155 817 HA2 GLY 107 1HA GLY 107 13.873 -25.433 -9.991 818 HA3 GLY 107 2HA GLY 107 12.469 -26.338 -9.446 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.956 -13.496 -10.360 2 HA2 GLY 1 1HA GLY 1 -12.362 -11.857 -10.069 3 HA3 GLY 1 2HA GLY 1 -12.408 -11.580 -11.804 4 H SER 2 H SER 2 -13.040 -9.622 -12.381 5 HA SER 2 HA SER 2 -15.216 -8.313 -10.956 6 HB2 SER 2 1HB SER 2 -12.502 -7.014 -11.295 7 HB3 SER 2 2HB SER 2 -13.947 -6.219 -10.670 8 HG SER 2 HG SER 2 -13.881 -8.085 -9.088 9 H SER 3 H SER 3 -16.363 -6.866 -12.197 10 HA SER 3 HA SER 3 -15.927 -7.056 -15.049 11 HB2 SER 3 1HB SER 3 -18.107 -6.187 -15.303 12 HB3 SER 3 2HB SER 3 -18.199 -7.180 -13.848 13 HG SER 3 HG SER 3 -18.113 -5.335 -12.604 14 H GLY 4 H GLY 4 -15.689 -5.285 -16.469 15 HA2 GLY 4 1HA GLY 4 -14.253 -3.042 -15.248 16 HA3 GLY 4 2HA GLY 4 -14.204 -3.501 -16.944 17 H SER 5 H SER 5 -16.652 -2.482 -14.556 18 HA SER 5 HA SER 5 -17.849 -0.799 -16.652 19 HB2 SER 5 1HB SER 5 -19.916 -0.880 -15.327 20 HB3 SER 5 2HB SER 5 -19.355 -2.506 -15.715 21 HG SER 5 HG SER 5 -20.021 -2.077 -13.463 22 H SER 6 H SER 6 -16.304 0.885 -16.298 23 HA SER 6 HA SER 6 -17.158 2.752 -14.280 24 HB2 SER 6 1HB SER 6 -15.490 1.294 -13.085 25 HB3 SER 6 2HB SER 6 -14.270 1.851 -14.230 26 HG SER 6 HG SER 6 -14.158 3.686 -13.206 27 H GLY 7 H GLY 7 -15.834 4.826 -14.439 28 HA2 GLY 7 1HA GLY 7 -15.745 5.597 -17.193 29 HA3 GLY 7 2HA GLY 7 -15.357 6.615 -15.814 30 H ALA 8 H ALA 8 -13.601 7.482 -17.028 31 HA ALA 8 HA ALA 8 -11.324 5.640 -17.338 32 HB1 ALA 8 1HB ALA 8 -12.109 8.123 -18.814 33 HB2 ALA 8 2HB ALA 8 -10.434 7.569 -18.805 34 HB3 ALA 8 3HB ALA 8 -11.703 6.528 -19.449 35 H GLU 9 H GLU 9 -10.530 5.753 -15.243 36 HA GLU 9 HA GLU 9 -9.967 8.332 -14.047 37 HB2 GLU 9 1HB GLU 9 -10.735 6.213 -12.805 38 HB3 GLU 9 2HB GLU 9 -9.074 5.664 -12.978 39 HG2 GLU 9 1HG GLU 9 -8.244 7.397 -11.634 40 HG3 GLU 9 2HG GLU 9 -9.750 8.307 -11.735 41 H SER 10 H SER 10 -7.930 9.163 -13.612 42 HA SER 10 HA SER 10 -5.737 7.952 -15.164 43 HB2 SER 10 1HB SER 10 -6.575 10.191 -15.958 44 HB3 SER 10 2HB SER 10 -6.026 10.872 -14.427 45 HG SER 10 HG SER 10 -3.911 10.030 -14.997 46 H LEU 11 H LEU 11 -3.586 8.168 -14.312 47 HA LEU 11 HA LEU 11 -3.488 8.587 -11.400 48 HB2 LEU 11 1HB LEU 11 -3.448 6.149 -12.288 49 HB3 LEU 11 2HB LEU 11 -1.792 6.529 -12.758 50 HG LEU 11 HG LEU 11 -1.112 6.798 -10.513 51 HD11 LEU 11 1HD1 LEU 11 -4.035 7.011 -9.966 52 HD12 LEU 11 2HD1 LEU 11 -2.709 8.035 -9.418 53 HD13 LEU 11 3HD1 LEU 11 -2.951 6.445 -8.695 54 HD21 LEU 11 1HD2 LEU 11 -2.606 4.601 -9.616 55 HD22 LEU 11 2HD2 LEU 11 -1.012 4.585 -10.371 56 HD23 LEU 11 3HD2 LEU 11 -2.460 4.411 -11.363 57 H SER 12 H SER 12 -1.897 9.873 -10.700 58 HA SER 12 HA SER 12 -0.364 11.418 -12.439 59 HB2 SER 12 1HB SER 12 -0.897 12.075 -10.116 60 HB3 SER 12 2HB SER 12 0.198 10.827 -9.522 61 HG SER 12 HG SER 12 1.327 12.736 -9.570 62 H GLY 13 H GLY 13 0.715 8.739 -10.342 63 HA2 GLY 13 1HA GLY 13 2.347 7.484 -12.193 64 HA3 GLY 13 2HA GLY 13 3.352 8.692 -11.407 65 H LEU 14 H LEU 14 0.847 6.416 -10.282 66 HA LEU 14 HA LEU 14 2.816 5.354 -8.368 67 HB2 LEU 14 1HB LEU 14 -0.037 6.160 -7.901 68 HB3 LEU 14 2HB LEU 14 0.786 5.011 -6.847 69 HG LEU 14 HG LEU 14 1.699 7.844 -7.340 70 HD11 LEU 14 1HD1 LEU 14 -0.463 6.926 -5.788 71 HD12 LEU 14 2HD1 LEU 14 0.253 8.537 -5.811 72 HD13 LEU 14 3HD1 LEU 14 0.837 7.330 -4.666 73 HD21 LEU 14 1HD2 LEU 14 3.168 7.447 -5.443 74 HD22 LEU 14 2HD2 LEU 14 3.489 6.284 -6.730 75 HD23 LEU 14 3HD2 LEU 14 2.570 5.793 -5.306 76 H SER 15 H SER 15 2.754 3.990 -10.556 77 HA SER 15 HA SER 15 0.651 1.994 -10.562 78 HB2 SER 15 1HB SER 15 3.136 2.280 -12.269 79 HB3 SER 15 2HB SER 15 1.884 1.062 -12.509 80 HG SER 15 HG SER 15 1.290 3.824 -12.457 81 H LEU 16 H LEU 16 0.804 0.685 -8.813 82 HA LEU 16 HA LEU 16 3.066 -0.167 -7.488 83 HB2 LEU 16 1HB LEU 16 0.371 -1.416 -7.880 84 HB3 LEU 16 2HB LEU 16 1.621 -2.237 -6.946 85 HG LEU 16 HG LEU 16 0.726 0.550 -6.270 86 HD11 LEU 16 1HD1 LEU 16 -0.442 -2.014 -5.199 87 HD12 LEU 16 2HD1 LEU 16 -1.253 -0.915 -6.314 88 HD13 LEU 16 3HD1 LEU 16 -0.845 -0.375 -4.686 89 HD21 LEU 16 1HD2 LEU 16 2.848 -0.761 -5.380 90 HD22 LEU 16 2HD2 LEU 16 1.647 -1.476 -4.304 91 HD23 LEU 16 3HD2 LEU 16 1.882 0.273 -4.326 92 H LYS 17 H LYS 17 4.798 -1.141 -8.291 93 HA LYS 17 HA LYS 17 4.484 -3.049 -10.496 94 HB2 LYS 17 1HB LYS 17 6.088 -1.412 -11.052 95 HB3 LYS 17 2HB LYS 17 6.820 -1.465 -9.454 96 HG2 LYS 17 1HG LYS 17 8.057 -3.317 -9.925 97 HG3 LYS 17 2HG LYS 17 6.883 -3.942 -11.086 98 HD2 LYS 17 1HD LYS 17 8.695 -3.287 -12.409 99 HD3 LYS 17 2HD LYS 17 7.560 -1.942 -12.547 100 HE2 LYS 17 1HE LYS 17 8.823 -0.582 -11.122 101 HE3 LYS 17 2HE LYS 17 9.730 -1.948 -10.475 102 HZ1 LYS 17 1HZ LYS 17 10.430 -2.118 -13.009 103 HZ2 LYS 17 2HZ LYS 17 11.269 -1.152 -11.905 104 HZ3 LYS 17 3HZ LYS 17 10.133 -0.454 -12.945 105 H LEU 18 H LEU 18 4.889 -5.169 -10.267 106 HA LEU 18 HA LEU 18 5.382 -6.185 -7.603 107 HB2 LEU 18 1HB LEU 18 3.688 -7.288 -8.852 108 HB3 LEU 18 2HB LEU 18 4.759 -7.500 -10.236 109 HG LEU 18 HG LEU 18 6.115 -9.076 -8.859 110 HD11 LEU 18 1HD1 LEU 18 5.813 -8.957 -6.653 111 HD12 LEU 18 2HD1 LEU 18 4.364 -9.925 -6.923 112 HD13 LEU 18 3HD1 LEU 18 4.244 -8.169 -6.820 113 HD21 LEU 18 1HD2 LEU 18 4.863 -10.824 -9.548 114 HD22 LEU 18 2HD2 LEU 18 3.925 -9.557 -10.338 115 HD23 LEU 18 3HD2 LEU 18 3.393 -10.213 -8.789 116 H VAL 19 H VAL 19 7.519 -5.731 -7.140 117 HA VAL 19 HA VAL 19 9.701 -6.151 -8.851 118 HB VAL 19 HB VAL 19 11.066 -6.226 -6.736 119 HG11 VAL 19 1HG1 VAL 19 9.289 -3.882 -6.439 120 HG12 VAL 19 2HG1 VAL 19 11.044 -3.964 -6.610 121 HG13 VAL 19 3HG1 VAL 19 10.010 -4.133 -8.029 122 HG21 VAL 19 1HG2 VAL 19 8.343 -6.401 -5.598 123 HG22 VAL 19 2HG2 VAL 19 9.867 -7.056 -5.000 124 HG23 VAL 19 3HG2 VAL 19 9.485 -5.351 -4.760 125 H LYS 20 H LYS 20 8.545 -8.191 -6.162 126 HA LYS 20 HA LYS 20 9.521 -10.543 -7.612 127 HB2 LYS 20 1HB LYS 20 11.277 -9.958 -6.014 128 HB3 LYS 20 2HB LYS 20 10.102 -9.947 -4.705 129 HG2 LYS 20 1HG LYS 20 11.022 -12.013 -4.419 130 HG3 LYS 20 2HG LYS 20 9.677 -12.414 -5.489 131 HD2 LYS 20 1HD LYS 20 12.287 -11.678 -6.716 132 HD3 LYS 20 2HD LYS 20 12.134 -13.269 -5.967 133 HE2 LYS 20 1HE LYS 20 9.982 -13.484 -7.357 134 HE3 LYS 20 2HE LYS 20 10.609 -12.120 -8.282 135 HZ1 LYS 20 1HZ LYS 20 11.474 -13.847 -9.460 136 HZ2 LYS 20 2HZ LYS 20 11.601 -14.869 -8.119 137 HZ3 LYS 20 3HZ LYS 20 12.733 -13.633 -8.350 138 H LYS 21 H LYS 21 8.245 -12.318 -7.439 139 HA LYS 21 HA LYS 21 5.834 -12.042 -5.772 140 HB2 LYS 21 1HB LYS 21 5.221 -12.136 -8.072 141 HB3 LYS 21 2HB LYS 21 6.311 -13.482 -8.379 142 HG2 LYS 21 1HG LYS 21 4.897 -14.880 -6.879 143 HG3 LYS 21 2HG LYS 21 3.758 -13.534 -6.786 144 HD2 LYS 21 1HD LYS 21 3.005 -15.094 -8.463 145 HD3 LYS 21 2HD LYS 21 3.539 -13.609 -9.254 146 HE2 LYS 21 1HE LYS 21 5.504 -14.601 -10.043 147 HE3 LYS 21 2HE LYS 21 5.395 -15.939 -8.901 148 HZ1 LYS 21 1HZ LYS 21 3.607 -15.479 -11.227 149 HZ2 LYS 21 2HZ LYS 21 3.445 -16.739 -10.111 150 HZ3 LYS 21 3HZ LYS 21 4.807 -16.666 -11.111 151 H GLU 22 H GLU 22 6.663 -12.957 -3.890 152 HA GLU 22 HA GLU 22 7.564 -15.748 -4.070 153 HB2 GLU 22 1HB GLU 22 8.000 -13.564 -2.068 154 HB3 GLU 22 2HB GLU 22 8.127 -15.242 -1.560 155 HG2 GLU 22 1HG GLU 22 9.627 -14.379 -3.974 156 HG3 GLU 22 2HG GLU 22 10.222 -13.891 -2.389 157 HA PRO 23 HA PRO 23 3.927 -17.341 -2.205 158 HB2 PRO 23 1HB PRO 23 4.922 -19.303 -0.614 159 HB3 PRO 23 2HB PRO 23 4.878 -19.426 -2.377 160 HG2 PRO 23 1HG PRO 23 7.157 -18.677 -0.585 161 HG3 PRO 23 2HG PRO 23 7.152 -19.741 -2.004 162 HD2 PRO 23 1HD PRO 23 8.022 -17.179 -2.108 163 HD3 PRO 23 2HD PRO 23 7.234 -17.976 -3.484 164 H ARG 24 H ARG 24 6.557 -16.481 -0.016 165 HA ARG 24 HA ARG 24 4.543 -15.739 2.000 166 HB2 ARG 24 1HB ARG 24 7.294 -16.880 2.526 167 HB3 ARG 24 2HB ARG 24 6.158 -16.340 3.755 168 HG2 ARG 24 1HG ARG 24 4.649 -18.102 3.260 169 HG3 ARG 24 2HG ARG 24 5.545 -18.542 1.804 170 HD2 ARG 24 1HD ARG 24 6.262 -20.138 3.311 171 HD3 ARG 24 2HD ARG 24 7.521 -18.912 3.447 172 HE ARG 24 HE ARG 24 5.811 -18.182 5.382 173 HH11 ARG 24 2HH1 ARG 24 7.237 -21.251 4.562 174 HH12 ARG 24 1HH1 ARG 24 7.236 -21.835 6.193 175 HH21 ARG 24 2HH2 ARG 24 5.805 -18.940 7.534 176 HH22 ARG 24 1HH2 ARG 24 6.421 -20.520 7.883 177 H GLN 25 H GLN 25 5.810 -14.150 -0.115 178 HA GLN 25 HA GLN 25 6.499 -11.874 1.459 179 HB2 GLN 25 1HB GLN 25 8.639 -13.322 1.319 180 HB3 GLN 25 2HB GLN 25 8.707 -12.798 -0.358 181 HG2 GLN 25 1HG GLN 25 8.945 -10.527 0.267 182 HG3 GLN 25 2HG GLN 25 8.557 -10.882 1.950 183 HE21 GLN 25 1HE2 GLN 25 10.990 -10.868 -0.485 184 HE22 GLN 25 2HE2 GLN 25 12.319 -11.295 0.533 185 H LEU 26 H LEU 26 6.337 -9.971 0.309 186 HA LEU 26 HA LEU 26 6.264 -9.968 -2.571 187 HB2 LEU 26 1HB LEU 26 3.777 -9.668 -0.924 188 HB3 LEU 26 2HB LEU 26 3.922 -8.900 -2.504 189 HG LEU 26 HG LEU 26 4.070 -11.864 -1.959 190 HD11 LEU 26 1HD1 LEU 26 1.832 -11.425 -1.754 191 HD12 LEU 26 2HD1 LEU 26 1.956 -11.663 -3.497 192 HD13 LEU 26 3HD1 LEU 26 1.892 -10.030 -2.833 193 HD21 LEU 26 1HD2 LEU 26 4.966 -12.095 -3.973 194 HD22 LEU 26 2HD2 LEU 26 5.066 -10.340 -4.124 195 HD23 LEU 26 3HD2 LEU 26 3.630 -11.195 -4.691 196 H GLU 27 H GLU 27 7.374 -8.201 -3.053 197 HA GLU 27 HA GLU 27 7.069 -5.828 -1.339 198 HB2 GLU 27 1HB GLU 27 9.341 -6.621 -1.347 199 HB3 GLU 27 2HB GLU 27 9.356 -6.709 -3.103 200 HG2 GLU 27 1HG GLU 27 9.060 -4.239 -3.162 201 HG3 GLU 27 2HG GLU 27 9.248 -4.226 -1.410 202 H LEU 28 H LEU 28 7.140 -3.728 -2.394 203 HA LEU 28 HA LEU 28 6.471 -3.694 -5.233 204 HB2 LEU 28 1HB LEU 28 4.722 -2.219 -3.297 205 HB3 LEU 28 2HB LEU 28 4.428 -2.577 -4.998 206 HG LEU 28 HG LEU 28 4.474 -4.679 -2.839 207 HD11 LEU 28 1HD1 LEU 28 2.025 -3.451 -4.078 208 HD12 LEU 28 2HD1 LEU 28 2.692 -2.917 -2.536 209 HD13 LEU 28 3HD1 LEU 28 2.118 -4.574 -2.721 210 HD21 LEU 28 1HD2 LEU 28 4.739 -5.024 -5.488 211 HD22 LEU 28 2HD2 LEU 28 2.980 -4.999 -5.365 212 HD23 LEU 28 3HD2 LEU 28 3.912 -6.175 -4.437 213 H THR 29 H THR 29 6.806 -1.691 -6.243 214 HA THR 29 HA THR 29 7.942 0.454 -4.599 215 HB THR 29 HB THR 29 9.906 -0.700 -5.322 216 HG1 THR 29 1HG THR 29 10.881 1.014 -6.226 217 HG21 THR 29 1HG2 THR 29 9.813 -0.510 -8.151 218 HG22 THR 29 2HG2 THR 29 8.334 -1.311 -7.619 219 HG23 THR 29 3HG2 THR 29 9.906 -1.963 -7.156 220 H TRP 30 H TRP 30 6.907 2.271 -5.058 221 HA TRP 30 HA TRP 30 5.874 2.650 -7.792 222 HB2 TRP 30 1HB TRP 30 4.197 4.198 -6.687 223 HB3 TRP 30 2HB TRP 30 4.005 2.484 -6.330 224 HD1 TRP 30 HD TRP 30 5.103 5.775 -4.692 225 HE1 TRP 30 1HE TRP 30 5.046 5.473 -2.136 226 HE3 TRP 30 3HE TRP 30 4.145 0.757 -4.487 227 HZ2 TRP 30 2HZ TRP 30 4.649 3.385 -0.280 228 HZ3 TRP 30 3HZ TRP 30 3.942 -0.316 -2.282 229 HH2 TRP 30 HH TRP 30 4.189 0.972 -0.223 230 H ALA 31 H ALA 31 7.333 3.905 -8.795 231 HA ALA 31 HA ALA 31 7.790 6.572 -7.725 232 HB1 ALA 31 1HB ALA 31 9.667 5.341 -6.819 233 HB2 ALA 31 2HB ALA 31 10.069 4.724 -8.422 234 HB3 ALA 31 3HB ALA 31 10.223 6.446 -8.077 235 H GLY 32 H GLY 32 7.745 8.071 -9.292 236 HA2 GLY 32 1HA GLY 32 8.327 7.246 -12.054 237 HA3 GLY 32 2HA GLY 32 6.788 8.016 -11.697 238 H SER 33 H SER 33 10.029 8.502 -12.518 239 HA SER 33 HA SER 33 9.667 11.312 -12.801 240 HB2 SER 33 1HB SER 33 11.136 10.280 -10.425 241 HB3 SER 33 2HB SER 33 11.821 11.673 -11.261 242 HG SER 33 HG SER 33 9.790 12.715 -10.993 243 H ARG 34 H ARG 34 10.537 11.509 -14.754 244 HA ARG 34 HA ARG 34 12.763 9.881 -15.596 245 HB2 ARG 34 1HB ARG 34 10.849 11.732 -16.872 246 HB3 ARG 34 2HB ARG 34 12.446 11.678 -17.605 247 HG2 ARG 34 1HG ARG 34 11.246 10.084 -18.785 248 HG3 ARG 34 2HG ARG 34 12.142 9.130 -17.601 249 HD2 ARG 34 1HD ARG 34 9.972 8.257 -17.532 250 HD3 ARG 34 2HD ARG 34 10.060 9.327 -16.134 251 HE ARG 34 HE ARG 34 9.035 10.946 -18.006 252 HH11 ARG 34 2HH1 ARG 34 8.197 7.713 -17.021 253 HH12 ARG 34 1HH1 ARG 34 6.519 7.888 -17.418 254 HH21 ARG 34 2HH2 ARG 34 6.829 11.187 -18.532 255 HH22 ARG 34 1HH2 ARG 34 5.742 9.864 -18.278 256 HA PRO 35 HA PRO 35 15.040 14.103 -15.903 257 HB2 PRO 35 1HB PRO 35 13.715 16.337 -15.113 258 HB3 PRO 35 2HB PRO 35 13.641 15.710 -16.764 259 HG2 PRO 35 1HG PRO 35 11.680 15.387 -14.526 260 HG3 PRO 35 2HG PRO 35 11.376 15.734 -16.238 261 HD2 PRO 35 1HD PRO 35 11.096 13.257 -15.181 262 HD3 PRO 35 2HD PRO 35 11.616 13.527 -16.857 263 H ARG 36 H ARG 36 12.684 14.427 -13.237 264 HA ARG 36 HA ARG 36 14.563 13.772 -11.226 265 HB2 ARG 36 1HB ARG 36 15.512 15.949 -11.722 266 HB3 ARG 36 2HB ARG 36 13.932 16.707 -11.574 267 HG2 ARG 36 1HG ARG 36 14.970 15.199 -9.239 268 HG3 ARG 36 2HG ARG 36 15.703 16.760 -9.617 269 HD2 ARG 36 1HD ARG 36 12.756 16.261 -9.205 270 HD3 ARG 36 2HD ARG 36 13.850 16.960 -8.012 271 HE ARG 36 HE ARG 36 12.686 18.282 -10.281 272 HH11 ARG 36 2HH1 ARG 36 15.342 18.269 -8.031 273 HH12 ARG 36 1HH1 ARG 36 15.681 19.958 -8.221 274 HH21 ARG 36 2HH2 ARG 36 13.122 20.506 -10.540 275 HH22 ARG 36 1HH2 ARG 36 14.417 21.229 -9.648 276 H ASN 37 H ASN 37 13.630 13.688 -9.144 277 HA ASN 37 HA ASN 37 10.707 13.696 -9.200 278 HB2 ASN 37 1HB ASN 37 11.098 12.532 -6.902 279 HB3 ASN 37 2HB ASN 37 11.433 11.639 -8.383 280 HD21 ASN 37 1HD2 ASN 37 12.645 12.668 -5.436 281 HD22 ASN 37 2HD2 ASN 37 14.307 12.264 -5.685 282 HA PRO 38 HA PRO 38 10.391 17.365 -6.787 283 HB2 PRO 38 1HB PRO 38 7.922 16.966 -5.732 284 HB3 PRO 38 2HB PRO 38 8.183 17.410 -7.422 285 HG2 PRO 38 1HG PRO 38 7.650 14.715 -6.232 286 HG3 PRO 38 2HG PRO 38 6.975 15.442 -7.702 287 HD2 PRO 38 1HD PRO 38 8.993 13.638 -7.763 288 HD3 PRO 38 2HD PRO 38 8.843 14.943 -8.957 289 H GLY 39 H GLY 39 10.370 18.115 -4.621 290 HA2 GLY 39 1HA GLY 39 10.789 15.978 -2.621 291 HA3 GLY 39 2HA GLY 39 11.701 17.480 -2.638 292 H GLY 40 H GLY 40 10.465 16.719 -0.337 293 HA2 GLY 40 1HA GLY 40 9.326 18.669 0.886 294 HA3 GLY 40 2HA GLY 40 8.004 18.334 -0.222 295 H ASN 41 H ASN 41 8.464 18.116 2.812 296 HA ASN 41 HA ASN 41 8.424 15.509 3.692 297 HB2 ASN 41 1HB ASN 41 6.993 16.380 5.589 298 HB3 ASN 41 2HB ASN 41 8.485 17.270 5.302 299 HD21 ASN 41 1HD2 ASN 41 8.396 19.378 4.754 300 HD22 ASN 41 2HD2 ASN 41 6.931 20.280 4.601 301 H LEU 42 H LEU 42 7.323 14.063 2.428 302 HA LEU 42 HA LEU 42 4.394 14.259 2.530 303 HB2 LEU 42 1HB LEU 42 6.147 13.820 0.163 304 HB3 LEU 42 2HB LEU 42 4.593 12.990 0.230 305 HG LEU 42 HG LEU 42 4.819 15.972 0.536 306 HD11 LEU 42 1HD1 LEU 42 4.572 16.290 -1.766 307 HD12 LEU 42 2HD1 LEU 42 4.199 14.591 -2.054 308 HD13 LEU 42 3HD1 LEU 42 5.840 15.072 -1.625 309 HD21 LEU 42 1HD2 LEU 42 2.742 14.452 1.107 310 HD22 LEU 42 2HD2 LEU 42 2.504 14.519 -0.640 311 HD23 LEU 42 3HD2 LEU 42 2.545 16.010 0.303 312 H SER 43 H SER 43 3.280 12.260 2.559 313 HA SER 43 HA SER 43 4.971 9.920 3.145 314 HB2 SER 43 1HB SER 43 2.425 10.741 4.562 315 HB3 SER 43 2HB SER 43 3.298 9.235 4.841 316 HG SER 43 HG SER 43 4.414 10.343 6.223 317 H TYR 44 H TYR 44 3.503 7.862 3.159 318 HA TYR 44 HA TYR 44 1.545 7.998 0.977 319 HB2 TYR 44 1HB TYR 44 3.632 5.824 1.127 320 HB3 TYR 44 2HB TYR 44 2.511 6.159 -0.189 321 HD1 TYR 44 2HD TYR 44 2.816 8.299 -1.514 322 HD2 TYR 44 1HD TYR 44 5.757 6.830 1.187 323 HE1 TYR 44 2HE TYR 44 4.514 9.701 -2.610 324 HE2 TYR 44 1HE TYR 44 7.463 8.228 0.099 325 HH TYR 44 HH TYR 44 6.885 10.755 -1.717 326 H GLU 45 H GLU 45 -0.212 6.733 1.246 327 HA GLU 45 HA GLU 45 -0.346 5.167 3.717 328 HB2 GLU 45 1HB GLU 45 -2.036 7.010 3.096 329 HB3 GLU 45 2HB GLU 45 -2.680 5.848 1.945 330 HG2 GLU 45 1HG GLU 45 -4.008 5.669 3.875 331 HG3 GLU 45 2HG GLU 45 -2.954 4.256 3.874 332 H LEU 46 H LEU 46 -0.187 3.034 3.633 333 HA LEU 46 HA LEU 46 -0.785 1.676 1.090 334 HB2 LEU 46 1HB LEU 46 1.562 1.642 2.289 335 HB3 LEU 46 2HB LEU 46 0.800 0.378 3.252 336 HG LEU 46 HG LEU 46 2.170 -0.469 1.361 337 HD11 LEU 46 1HD1 LEU 46 -0.577 -1.275 0.650 338 HD12 LEU 46 2HD1 LEU 46 -0.127 -1.443 2.347 339 HD13 LEU 46 3HD1 LEU 46 0.819 -2.256 1.100 340 HD21 LEU 46 1HD2 LEU 46 0.826 1.526 -0.073 341 HD22 LEU 46 2HD2 LEU 46 0.230 -0.007 -0.707 342 HD23 LEU 46 3HD2 LEU 46 1.961 0.330 -0.700 343 H HIS 47 H HIS 47 -2.366 0.204 1.022 344 HA HIS 47 HA HIS 47 -3.375 -0.911 3.545 345 HB2 HIS 47 1HB HIS 47 -4.893 0.886 3.009 346 HB3 HIS 47 2HB HIS 47 -5.037 0.330 1.345 347 HD1 HIS 47 1HD HIS 47 -7.583 0.024 1.534 348 HD2 HIS 47 2HD HIS 47 -5.409 -2.254 4.245 349 HE1 HIS 47 1HE HIS 47 -9.223 -1.621 2.499 350 HE2 HIS 47 2HE HIS 47 -7.905 -2.931 4.198 351 H VAL 48 H VAL 48 -3.143 -3.038 3.425 352 HA VAL 48 HA VAL 48 -3.409 -4.355 0.809 353 HB VAL 48 HB VAL 48 -2.126 -5.411 3.333 354 HG11 VAL 48 1HG1 VAL 48 -3.165 -6.866 1.276 355 HG12 VAL 48 2HG1 VAL 48 -1.492 -6.652 0.756 356 HG13 VAL 48 3HG1 VAL 48 -1.843 -7.392 2.319 357 HG21 VAL 48 1HG2 VAL 48 -0.090 -5.214 1.629 358 HG22 VAL 48 2HG2 VAL 48 -1.079 -3.892 1.011 359 HG23 VAL 48 3HG2 VAL 48 -0.558 -3.890 2.696 360 H LEU 49 H LEU 49 -4.894 -5.928 0.466 361 HA LEU 49 HA LEU 49 -6.604 -6.698 2.736 362 HB2 LEU 49 1HB LEU 49 -7.462 -6.116 -0.094 363 HB3 LEU 49 2HB LEU 49 -8.510 -6.745 1.176 364 HG LEU 49 HG LEU 49 -7.859 -4.566 2.435 365 HD11 LEU 49 1HD1 LEU 49 -6.865 -4.075 -0.320 366 HD12 LEU 49 2HD1 LEU 49 -6.242 -3.507 1.229 367 HD13 LEU 49 3HD1 LEU 49 -7.672 -2.753 0.524 368 HD21 LEU 49 1HD2 LEU 49 -9.735 -3.404 1.406 369 HD22 LEU 49 2HD2 LEU 49 -10.102 -5.116 1.623 370 HD23 LEU 49 3HD2 LEU 49 -9.674 -4.500 0.026 371 H ASN 50 H ASN 50 -7.448 -8.799 2.716 372 HA ASN 50 HA ASN 50 -6.482 -10.601 0.617 373 HB2 ASN 50 1HB ASN 50 -4.980 -10.514 2.746 374 HB3 ASN 50 2HB ASN 50 -6.278 -11.441 3.493 375 HD21 ASN 50 1HD2 ASN 50 -5.274 -13.356 3.729 376 HD22 ASN 50 2HD2 ASN 50 -4.683 -14.315 2.419 377 H GLN 51 H GLN 51 -7.441 -12.888 1.043 378 HA GLN 51 HA GLN 51 -10.058 -13.007 0.577 379 HB2 GLN 51 1HB GLN 51 -8.233 -14.896 1.096 380 HB3 GLN 51 2HB GLN 51 -9.158 -15.002 2.587 381 HG2 GLN 51 1HG GLN 51 -11.173 -15.040 0.838 382 HG3 GLN 51 2HG GLN 51 -9.908 -15.738 -0.171 383 HE21 GLN 51 1HE2 GLN 51 -11.748 -17.442 0.130 384 HE22 GLN 51 2HE2 GLN 51 -11.446 -18.611 1.364 385 H ASP 52 H ASP 52 -8.946 -13.551 3.922 386 HA ASP 52 HA ASP 52 -11.306 -12.060 4.857 387 HB2 ASP 52 1HB ASP 52 -11.294 -14.704 5.027 388 HB3 ASP 52 2HB ASP 52 -10.309 -14.380 6.451 389 H GLU 53 H GLU 53 -8.479 -11.295 4.525 390 HA GLU 53 HA GLU 53 -8.026 -10.396 7.276 391 HB2 GLU 53 1HB GLU 53 -6.040 -11.819 5.522 392 HB3 GLU 53 2HB GLU 53 -5.515 -10.729 6.797 393 HG2 GLU 53 1HG GLU 53 -7.378 -13.015 7.335 394 HG3 GLU 53 2HG GLU 53 -5.626 -13.212 7.335 395 H GLU 54 H GLU 54 -8.106 -8.256 7.198 396 HA GLU 54 HA GLU 54 -6.847 -6.888 4.911 397 HB2 GLU 54 1HB GLU 54 -9.017 -6.274 4.545 398 HB3 GLU 54 2HB GLU 54 -9.470 -6.470 6.232 399 HG2 GLU 54 1HG GLU 54 -7.637 -4.245 5.544 400 HG3 GLU 54 2HG GLU 54 -9.329 -4.100 5.075 401 H TRP 55 H TRP 55 -5.219 -5.580 5.403 402 HA TRP 55 HA TRP 55 -5.162 -4.190 7.958 403 HB2 TRP 55 1HB TRP 55 -3.138 -5.063 8.737 404 HB3 TRP 55 2HB TRP 55 -3.978 -6.487 8.129 405 HD1 TRP 55 HD TRP 55 -1.292 -3.970 6.898 406 HE1 TRP 55 1HE TRP 55 0.338 -5.242 5.366 407 HE3 TRP 55 3HE TRP 55 -3.591 -8.536 6.880 408 HZ2 TRP 55 2HZ TRP 55 0.613 -7.837 4.291 409 HZ3 TRP 55 3HZ TRP 55 -2.580 -10.360 5.574 410 HH2 TRP 55 HH TRP 55 -0.522 -10.016 4.307 411 H HIS 56 H HIS 56 -4.238 -2.220 7.814 412 HA HIS 56 HA HIS 56 -2.765 -1.587 5.342 413 HB2 HIS 56 1HB HIS 56 -3.743 0.789 5.770 414 HB3 HIS 56 2HB HIS 56 -4.762 -0.437 5.021 415 HD1 HIS 56 1HD HIS 56 -6.875 0.819 5.886 416 HD2 HIS 56 2HD HIS 56 -4.369 -0.610 8.875 417 HE1 HIS 56 1HE HIS 56 -8.216 0.953 8.009 418 HE2 HIS 56 2HE HIS 56 -6.650 0.164 9.817 419 H GLN 57 H GLN 57 -1.042 -0.140 5.498 420 HA GLN 57 HA GLN 57 -0.306 0.870 8.129 421 HB2 GLN 57 1HB GLN 57 2.022 -0.061 7.846 422 HB3 GLN 57 2HB GLN 57 0.775 -1.245 8.215 423 HG2 GLN 57 1HG GLN 57 0.825 -2.159 6.098 424 HG3 GLN 57 2HG GLN 57 1.523 -0.710 5.377 425 HE21 GLN 57 1HE2 GLN 57 2.620 -3.052 4.722 426 HE22 GLN 57 2HE2 GLN 57 4.158 -3.255 5.483 427 H MET 58 H MET 58 0.505 2.858 7.976 428 HA MET 58 HA MET 58 0.936 4.032 5.389 429 HB2 MET 58 1HB MET 58 -0.058 5.110 7.548 430 HB3 MET 58 2HB MET 58 1.625 5.395 7.970 431 HG2 MET 58 1HG MET 58 1.888 6.569 5.781 432 HG3 MET 58 2HG MET 58 0.145 6.425 5.566 433 HE1 MET 58 1HE MET 58 2.684 8.731 8.351 434 HE2 MET 58 2HE MET 58 3.034 7.961 6.804 435 HE3 MET 58 3HE MET 58 2.406 9.609 6.847 436 H VAL 59 H VAL 59 2.795 4.189 4.324 437 HA VAL 59 HA VAL 59 5.298 3.709 5.807 438 HB VAL 59 HB VAL 59 6.262 2.896 3.697 439 HG11 VAL 59 1HG1 VAL 59 4.357 1.599 5.315 440 HG12 VAL 59 2HG1 VAL 59 4.036 1.101 3.653 441 HG13 VAL 59 3HG1 VAL 59 5.639 0.868 4.351 442 HG21 VAL 59 1HG2 VAL 59 3.733 3.908 2.638 443 HG22 VAL 59 2HG2 VAL 59 5.276 3.641 1.827 444 HG23 VAL 59 3HG2 VAL 59 4.156 2.298 2.054 445 H LEU 60 H LEU 60 7.068 5.016 5.420 446 HA LEU 60 HA LEU 60 6.449 7.637 4.338 447 HB2 LEU 60 1HB LEU 60 8.962 6.614 5.651 448 HB3 LEU 60 2HB LEU 60 8.614 8.295 5.254 449 HG LEU 60 HG LEU 60 7.012 6.663 7.219 450 HD11 LEU 60 1HD1 LEU 60 8.851 8.819 8.092 451 HD12 LEU 60 2HD1 LEU 60 9.552 7.254 7.681 452 HD13 LEU 60 3HD1 LEU 60 8.322 7.365 8.939 453 HD21 LEU 60 1HD2 LEU 60 6.923 9.467 7.651 454 HD22 LEU 60 2HD2 LEU 60 5.609 8.379 7.205 455 HD23 LEU 60 3HD2 LEU 60 6.570 9.162 5.951 456 H GLU 61 H GLU 61 8.347 4.825 3.527 457 HA GLU 61 HA GLU 61 9.730 6.190 1.369 458 HB2 GLU 61 1HB GLU 61 10.730 3.942 0.947 459 HB3 GLU 61 2HB GLU 61 11.009 4.553 2.571 460 HG2 GLU 61 1HG GLU 61 8.654 2.805 2.128 461 HG3 GLU 61 2HG GLU 61 10.255 2.066 2.119 462 HA PRO 62 HA PRO 62 6.905 5.215 -1.846 463 HB2 PRO 62 1HB PRO 62 8.602 4.889 -3.940 464 HB3 PRO 62 2HB PRO 62 8.243 6.468 -3.231 465 HG2 PRO 62 1HG PRO 62 10.604 4.683 -2.783 466 HG3 PRO 62 2HG PRO 62 10.558 6.441 -3.010 467 HD2 PRO 62 1HD PRO 62 10.799 5.293 -0.569 468 HD3 PRO 62 2HD PRO 62 9.954 6.834 -0.820 469 H ARG 63 H ARG 63 8.844 2.947 -0.470 470 HA ARG 63 HA ARG 63 7.738 0.812 -2.169 471 HB2 ARG 63 1HB ARG 63 9.751 -0.498 -1.860 472 HB3 ARG 63 2HB ARG 63 10.172 1.067 -2.544 473 HG2 ARG 63 1HG ARG 63 11.782 0.918 -0.955 474 HG3 ARG 63 2HG ARG 63 10.513 1.680 0.007 475 HD2 ARG 63 1HD ARG 63 11.244 -0.060 1.366 476 HD3 ARG 63 2HD ARG 63 9.808 -0.726 0.589 477 HE ARG 63 HE ARG 63 11.137 -2.250 -0.494 478 HH11 ARG 63 2HH1 ARG 63 13.130 0.250 0.884 479 HH12 ARG 63 1HH1 ARG 63 14.618 -0.573 0.554 480 HH21 ARG 63 2HH2 ARG 63 13.090 -3.344 -0.934 481 HH22 ARG 63 1HH2 ARG 63 14.595 -2.616 -0.481 482 H VAL 64 H VAL 64 7.344 -1.211 -1.081 483 HA VAL 64 HA VAL 64 7.250 -1.074 1.846 484 HB VAL 64 HB VAL 64 5.033 -0.360 1.006 485 HG11 VAL 64 1HG1 VAL 64 3.882 -1.446 -0.575 486 HG12 VAL 64 2HG1 VAL 64 5.408 -2.258 -0.934 487 HG13 VAL 64 3HG1 VAL 64 4.228 -3.025 0.130 488 HG21 VAL 64 1HG2 VAL 64 5.129 -1.411 3.157 489 HG22 VAL 64 2HG2 VAL 64 3.706 -2.021 2.313 490 HG23 VAL 64 3HG2 VAL 64 5.158 -3.016 2.427 491 H LEU 65 H LEU 65 7.338 -3.061 2.892 492 HA LEU 65 HA LEU 65 7.819 -5.392 1.155 493 HB2 LEU 65 1HB LEU 65 9.820 -4.304 2.371 494 HB3 LEU 65 2HB LEU 65 9.136 -5.033 3.823 495 HG LEU 65 HG LEU 65 10.961 -6.367 2.847 496 HD11 LEU 65 1HD1 LEU 65 8.992 -7.350 4.106 497 HD12 LEU 65 2HD1 LEU 65 9.912 -8.459 3.091 498 HD13 LEU 65 3HD1 LEU 65 8.359 -7.837 2.534 499 HD21 LEU 65 1HD2 LEU 65 11.104 -6.818 0.676 500 HD22 LEU 65 2HD2 LEU 65 9.730 -5.741 0.425 501 HD23 LEU 65 3HD2 LEU 65 9.466 -7.472 0.642 502 H LEU 66 H LEU 66 6.187 -6.766 1.390 503 HA LEU 66 HA LEU 66 4.900 -7.020 4.016 504 HB2 LEU 66 1HB LEU 66 3.931 -8.085 1.372 505 HB3 LEU 66 2HB LEU 66 3.022 -7.975 2.878 506 HG LEU 66 HG LEU 66 4.045 -5.483 1.582 507 HD11 LEU 66 1HD1 LEU 66 1.528 -6.947 0.801 508 HD12 LEU 66 2HD1 LEU 66 2.942 -6.689 -0.219 509 HD13 LEU 66 3HD1 LEU 66 1.968 -5.314 0.301 510 HD21 LEU 66 1HD2 LEU 66 1.390 -5.773 2.877 511 HD22 LEU 66 2HD2 LEU 66 2.522 -4.420 2.900 512 HD23 LEU 66 3HD2 LEU 66 2.819 -5.837 3.909 513 H THR 67 H THR 67 4.994 -8.860 5.165 514 HA THR 67 HA THR 67 6.144 -11.246 3.880 515 HB THR 67 HB THR 67 7.358 -11.748 5.980 516 HG1 THR 67 1HG THR 67 7.589 -9.940 7.465 517 HG21 THR 67 1HG2 THR 67 8.296 -10.376 3.989 518 HG22 THR 67 2HG2 THR 67 9.202 -10.412 5.501 519 HG23 THR 67 3HG2 THR 67 8.208 -9.012 5.102 520 H LYS 68 H LYS 68 5.952 -13.142 5.634 521 HA LYS 68 HA LYS 68 4.527 -14.639 6.588 522 HB2 LYS 68 1HB LYS 68 3.758 -12.035 7.822 523 HB3 LYS 68 2HB LYS 68 2.719 -13.425 8.107 524 HG2 LYS 68 1HG LYS 68 4.610 -14.663 9.020 525 HG3 LYS 68 2HG LYS 68 5.666 -13.282 8.717 526 HD2 LYS 68 1HD LYS 68 4.682 -12.002 10.384 527 HD3 LYS 68 2HD LYS 68 3.195 -12.953 10.374 528 HE2 LYS 68 1HE LYS 68 4.799 -14.878 11.156 529 HE3 LYS 68 2HE LYS 68 5.820 -13.535 11.666 530 HZ1 LYS 68 1HZ LYS 68 3.005 -13.980 12.501 531 HZ2 LYS 68 2HZ LYS 68 3.983 -12.690 12.990 532 HZ3 LYS 68 3HZ LYS 68 4.374 -14.270 13.452 533 H LEU 69 H LEU 69 3.913 -14.068 3.978 534 HA LEU 69 HA LEU 69 1.011 -13.704 3.873 535 HB2 LEU 69 1HB LEU 69 2.914 -14.014 1.563 536 HB3 LEU 69 2HB LEU 69 1.256 -13.419 1.517 537 HG LEU 69 HG LEU 69 3.509 -11.979 2.908 538 HD11 LEU 69 1HD1 LEU 69 4.268 -11.442 0.889 539 HD12 LEU 69 2HD1 LEU 69 2.775 -10.531 0.662 540 HD13 LEU 69 3HD1 LEU 69 2.888 -12.195 0.090 541 HD21 LEU 69 1HD2 LEU 69 1.826 -10.064 2.492 542 HD22 LEU 69 2HD2 LEU 69 1.523 -11.191 3.814 543 HD23 LEU 69 3HD2 LEU 69 0.645 -11.359 2.294 544 H GLN 70 H GLN 70 0.091 -15.138 1.906 545 HA GLN 70 HA GLN 70 0.791 -17.920 2.575 546 HB2 GLN 70 1HB GLN 70 -1.855 -16.658 1.876 547 HB3 GLN 70 2HB GLN 70 -1.600 -18.396 1.809 548 HG2 GLN 70 1HG GLN 70 -1.302 -16.654 4.244 549 HG3 GLN 70 2HG GLN 70 -2.642 -17.745 3.898 550 HE21 GLN 70 1HE2 GLN 70 -2.307 -19.977 4.012 551 HE22 GLN 70 2HE2 GLN 70 -0.965 -20.652 4.865 552 HA PRO 71 HA PRO 71 1.942 -18.481 -1.643 553 HB2 PRO 71 1HB PRO 71 1.802 -21.190 -1.735 554 HB3 PRO 71 2HB PRO 71 3.106 -20.323 -0.915 555 HG2 PRO 71 1HG PRO 71 0.649 -21.582 0.241 556 HG3 PRO 71 2HG PRO 71 2.316 -21.624 0.843 557 HD2 PRO 71 1HD PRO 71 0.438 -19.965 1.869 558 HD3 PRO 71 2HD PRO 71 2.158 -19.531 1.796 559 H ASP 72 H ASP 72 0.905 -18.524 -3.556 560 HA ASP 72 HA ASP 72 -0.773 -18.663 -5.085 561 HB2 ASP 72 1HB ASP 72 -0.494 -21.056 -4.879 562 HB3 ASP 72 2HB ASP 72 -1.486 -21.087 -3.424 563 H THR 73 H THR 73 -1.230 -16.750 -3.272 564 HA THR 73 HA THR 73 -4.142 -16.872 -2.928 565 HB THR 73 HB THR 73 -2.257 -15.790 -0.826 566 HG1 THR 73 1HG THR 73 -2.727 -18.244 -1.216 567 HG21 THR 73 1HG2 THR 73 -4.977 -16.269 0.006 568 HG22 THR 73 2HG2 THR 73 -4.928 -15.153 -1.359 569 HG23 THR 73 3HG2 THR 73 -4.019 -14.793 0.109 570 H THR 74 H THR 74 -5.168 -15.104 -3.635 571 HA THR 74 HA THR 74 -3.697 -13.018 -4.911 572 HB THR 74 HB THR 74 -6.661 -13.160 -4.328 573 HG1 THR 74 1HG THR 74 -5.239 -13.858 -6.699 574 HG21 THR 74 1HG2 THR 74 -5.303 -11.596 -6.509 575 HG22 THR 74 2HG2 THR 74 -5.623 -10.902 -4.920 576 HG23 THR 74 3HG2 THR 74 -6.961 -11.455 -5.925 577 H TYR 75 H TYR 75 -3.064 -11.108 -4.137 578 HA TYR 75 HA TYR 75 -4.249 -10.152 -1.617 579 HB2 TYR 75 1HB TYR 75 -1.355 -10.407 -2.374 580 HB3 TYR 75 2HB TYR 75 -1.866 -9.186 -1.214 581 HD1 TYR 75 2HD TYR 75 -3.130 -9.969 0.860 582 HD2 TYR 75 1HD TYR 75 -1.012 -12.626 -1.701 583 HE1 TYR 75 2HE TYR 75 -3.074 -11.646 2.657 584 HE2 TYR 75 1HE TYR 75 -0.951 -14.312 0.089 585 HH TYR 75 HH TYR 75 -1.115 -14.010 2.907 586 H ILE 76 H ILE 76 -5.018 -8.149 -1.716 587 HA ILE 76 HA ILE 76 -4.395 -6.524 -4.067 588 HB ILE 76 HB ILE 76 -6.507 -5.977 -1.987 589 HG12 ILE 76 1HG1 ILE 76 -6.829 -8.206 -3.045 590 HG13 ILE 76 2HG1 ILE 76 -8.110 -7.066 -3.441 591 HG21 ILE 76 1HG2 ILE 76 -5.977 -4.943 -4.760 592 HG22 ILE 76 2HG2 ILE 76 -7.524 -4.733 -3.941 593 HG23 ILE 76 3HG2 ILE 76 -6.060 -4.033 -3.252 594 HD11 ILE 76 1HD1 ILE 76 -7.370 -8.435 -5.355 595 HD12 ILE 76 2HD1 ILE 76 -7.179 -6.701 -5.621 596 HD13 ILE 76 3HD1 ILE 76 -5.775 -7.694 -5.229 597 H VAL 77 H VAL 77 -3.142 -4.779 -3.965 598 HA VAL 77 HA VAL 77 -2.656 -3.541 -1.337 599 HB VAL 77 HB VAL 77 -0.564 -3.953 -3.477 600 HG11 VAL 77 1HG1 VAL 77 0.529 -3.343 -0.934 601 HG12 VAL 77 2HG1 VAL 77 0.606 -2.392 -2.419 602 HG13 VAL 77 3HG1 VAL 77 -0.722 -2.151 -1.284 603 HG21 VAL 77 1HG2 VAL 77 0.243 -5.771 -2.360 604 HG22 VAL 77 2HG2 VAL 77 -0.374 -5.228 -0.800 605 HG23 VAL 77 3HG2 VAL 77 -1.471 -5.944 -1.980 606 H ARG 78 H ARG 78 -2.613 -1.345 -1.279 607 HA ARG 78 HA ARG 78 -2.700 0.118 -3.821 608 HB2 ARG 78 1HB ARG 78 -4.521 1.557 -2.863 609 HB3 ARG 78 2HB ARG 78 -5.008 -0.090 -3.240 610 HG2 ARG 78 1HG ARG 78 -5.131 -0.699 -0.997 611 HG3 ARG 78 2HG ARG 78 -4.142 0.667 -0.477 612 HD2 ARG 78 1HD ARG 78 -6.256 1.353 0.140 613 HD3 ARG 78 2HD ARG 78 -6.086 2.095 -1.450 614 HE ARG 78 HE ARG 78 -7.254 -0.272 -2.010 615 HH11 ARG 78 2HH1 ARG 78 -8.000 2.273 0.245 616 HH12 ARG 78 1HH1 ARG 78 -9.708 1.988 0.203 617 HH21 ARG 78 2HH2 ARG 78 -9.502 -0.658 -2.074 618 HH22 ARG 78 1HH2 ARG 78 -10.561 0.320 -1.116 619 H VAL 79 H VAL 79 -1.881 2.207 -3.755 620 HA VAL 79 HA VAL 79 -0.935 3.267 -1.209 621 HB VAL 79 HB VAL 79 0.878 1.796 -2.272 622 HG11 VAL 79 1HG1 VAL 79 1.820 3.983 -3.930 623 HG12 VAL 79 2HG1 VAL 79 1.692 2.261 -4.295 624 HG13 VAL 79 3HG1 VAL 79 0.293 3.316 -4.507 625 HG21 VAL 79 1HG2 VAL 79 1.001 4.365 -0.982 626 HG22 VAL 79 2HG2 VAL 79 2.038 2.955 -0.768 627 HG23 VAL 79 3HG2 VAL 79 2.400 4.131 -2.030 628 H ARG 80 H ARG 80 -0.501 5.496 -1.239 629 HA ARG 80 HA ARG 80 -0.903 6.956 -3.724 630 HB2 ARG 80 1HB ARG 80 -2.739 8.248 -2.981 631 HB3 ARG 80 2HB ARG 80 -3.161 6.579 -2.622 632 HG2 ARG 80 1HG ARG 80 -3.073 6.891 -0.376 633 HG3 ARG 80 2HG ARG 80 -1.821 8.129 -0.486 634 HD2 ARG 80 1HD ARG 80 -4.633 8.598 -1.435 635 HD3 ARG 80 2HD ARG 80 -4.146 8.883 0.235 636 HE ARG 80 HE ARG 80 -2.814 10.676 -0.479 637 HH11 ARG 80 2HH1 ARG 80 -4.462 9.119 -3.121 638 HH12 ARG 80 1HH1 ARG 80 -4.200 10.428 -4.227 639 HH21 ARG 80 2HH2 ARG 80 -2.464 12.405 -1.925 640 HH22 ARG 80 1HH2 ARG 80 -3.063 12.296 -3.545 641 H THR 81 H THR 81 -0.796 9.429 -3.177 642 HA THR 81 HA THR 81 1.480 9.778 -1.342 643 HB THR 81 HB THR 81 0.703 11.560 -3.657 644 HG1 THR 81 1HG THR 81 1.588 10.007 -4.794 645 HG21 THR 81 1HG2 THR 81 2.307 12.955 -2.971 646 HG22 THR 81 2HG2 THR 81 3.462 11.634 -2.795 647 HG23 THR 81 3HG2 THR 81 2.369 12.032 -1.470 648 H LEU 82 H LEU 82 0.494 10.304 0.563 649 HA LEU 82 HA LEU 82 -1.774 11.744 1.036 650 HB2 LEU 82 1HB LEU 82 0.751 11.336 2.532 651 HB3 LEU 82 2HB LEU 82 -0.325 12.610 3.103 652 HG LEU 82 HG LEU 82 -0.835 10.698 4.382 653 HD11 LEU 82 1HD1 LEU 82 -2.720 11.926 2.824 654 HD12 LEU 82 2HD1 LEU 82 -3.053 10.824 4.159 655 HD13 LEU 82 3HD1 LEU 82 -3.016 10.217 2.504 656 HD21 LEU 82 1HD2 LEU 82 -0.878 8.536 3.661 657 HD22 LEU 82 2HD2 LEU 82 0.253 9.205 2.485 658 HD23 LEU 82 3HD2 LEU 82 -1.438 8.967 2.045 659 H THR 83 H THR 83 -2.212 13.937 1.587 660 HA THR 83 HA THR 83 -0.270 15.899 0.575 661 HB THR 83 HB THR 83 -1.723 16.930 -0.858 662 HG1 THR 83 1HG THR 83 -4.167 16.188 -0.400 663 HG21 THR 83 1HG2 THR 83 -1.640 14.203 -1.118 664 HG22 THR 83 2HG2 THR 83 -2.293 15.319 -2.317 665 HG23 THR 83 3HG2 THR 83 -3.371 14.531 -1.166 666 HA PRO 84 HA PRO 84 -1.160 18.210 4.201 667 HB2 PRO 84 1HB PRO 84 -0.822 20.750 3.305 668 HB3 PRO 84 2HB PRO 84 0.525 19.635 3.563 669 HG2 PRO 84 1HG PRO 84 -0.873 20.359 1.017 670 HG3 PRO 84 2HG PRO 84 0.863 20.167 1.325 671 HD2 PRO 84 1HD PRO 84 -0.627 18.243 0.138 672 HD3 PRO 84 2HD PRO 84 0.764 17.869 1.175 673 H LEU 85 H LEU 85 -2.777 19.353 1.254 674 HA LEU 85 HA LEU 85 -5.145 19.971 2.894 675 HB2 LEU 85 1HB LEU 85 -5.544 21.618 0.846 676 HB3 LEU 85 2HB LEU 85 -4.659 22.094 2.294 677 HG LEU 85 HG LEU 85 -2.540 21.614 1.099 678 HD11 LEU 85 1HD1 LEU 85 -4.396 21.151 -1.228 679 HD12 LEU 85 2HD1 LEU 85 -3.267 20.000 -0.512 680 HD13 LEU 85 3HD1 LEU 85 -2.658 21.411 -1.377 681 HD21 LEU 85 1HD2 LEU 85 -3.954 23.509 -0.677 682 HD22 LEU 85 2HD2 LEU 85 -2.454 23.704 0.229 683 HD23 LEU 85 3HD2 LEU 85 -4.007 23.847 1.053 684 H GLY 86 H GLY 86 -6.522 18.353 2.483 685 HA2 GLY 86 1HA GLY 86 -8.049 17.109 1.288 686 HA3 GLY 86 2HA GLY 86 -7.649 18.076 -0.124 687 HA PRO 87 HA PRO 87 -4.773 14.144 0.181 688 HB2 PRO 87 1HB PRO 87 -6.092 11.995 1.188 689 HB3 PRO 87 2HB PRO 87 -5.122 13.082 2.189 690 HG2 PRO 87 1HG PRO 87 -8.088 13.018 1.789 691 HG3 PRO 87 2HG PRO 87 -7.165 13.236 3.288 692 HD2 PRO 87 1HD PRO 87 -8.282 15.309 1.950 693 HD3 PRO 87 2HD PRO 87 -6.771 15.468 2.869 694 H GLY 88 H GLY 88 -4.648 12.737 -1.533 695 HA2 GLY 88 1HA GLY 88 -6.799 12.820 -3.433 696 HA3 GLY 88 2HA GLY 88 -5.258 11.999 -3.636 697 HA PRO 89 HA PRO 89 -8.776 8.936 -2.963 698 HB2 PRO 89 1HB PRO 89 -8.609 7.727 -5.388 699 HB3 PRO 89 2HB PRO 89 -9.638 9.131 -5.084 700 HG2 PRO 89 1HG PRO 89 -6.923 9.009 -6.340 701 HG3 PRO 89 2HG PRO 89 -8.343 9.948 -6.834 702 HD2 PRO 89 1HD PRO 89 -6.286 11.036 -5.450 703 HD3 PRO 89 2HD PRO 89 -7.963 11.588 -5.260 704 H PHE 90 H PHE 90 -8.499 6.442 -3.727 705 HA PHE 90 HA PHE 90 -5.782 5.692 -2.877 706 HB2 PHE 90 1HB PHE 90 -8.475 4.633 -2.226 707 HB3 PHE 90 2HB PHE 90 -7.191 3.444 -2.413 708 HD1 PHE 90 2HD PHE 90 -4.952 4.076 -1.135 709 HD2 PHE 90 1HD PHE 90 -8.834 5.510 -0.142 710 HE1 PHE 90 2HE PHE 90 -4.190 4.539 1.158 711 HE2 PHE 90 1HE PHE 90 -8.078 5.976 2.153 712 HZ PHE 90 HZ PHE 90 -5.754 5.489 2.806 713 H SER 91 H SER 91 -4.557 4.500 -4.194 714 HA SER 91 HA SER 91 -4.931 4.162 -6.844 715 HB2 SER 91 1HB SER 91 -3.073 2.803 -6.846 716 HB3 SER 91 2HB SER 91 -2.933 3.486 -5.226 717 HG SER 91 HG SER 91 -3.016 0.975 -5.801 718 HA PRO 92 HA PRO 92 -8.011 1.139 -7.639 719 HB2 PRO 92 1HB PRO 92 -7.033 -0.055 -9.872 720 HB3 PRO 92 2HB PRO 92 -7.704 1.580 -9.873 721 HG2 PRO 92 1HG PRO 92 -4.842 0.707 -9.787 722 HG3 PRO 92 2HG PRO 92 -5.586 2.010 -10.731 723 HD2 PRO 92 1HD PRO 92 -4.218 2.469 -8.440 724 HD3 PRO 92 2HD PRO 92 -5.595 3.469 -8.946 725 H ASP 93 H ASP 93 -8.496 -0.845 -6.909 726 HA ASP 93 HA ASP 93 -6.867 -2.427 -5.424 727 HB2 ASP 93 1HB ASP 93 -8.448 -4.275 -5.814 728 HB3 ASP 93 2HB ASP 93 -9.287 -2.752 -5.535 729 H HIS 94 H HIS 94 -4.859 -2.967 -6.078 730 HA HIS 94 HA HIS 94 -4.353 -3.961 -8.741 731 HB2 HIS 94 1HB HIS 94 -2.663 -3.356 -6.342 732 HB3 HIS 94 2HB HIS 94 -2.004 -4.349 -7.639 733 HD1 HIS 94 1HD HIS 94 -3.586 -0.923 -7.185 734 HD2 HIS 94 2HD HIS 94 -0.933 -2.921 -9.682 735 HE1 HIS 94 1HE HIS 94 -2.684 0.829 -8.748 736 HE2 HIS 94 2HE HIS 94 -1.146 -0.419 -10.304 737 H GLU 95 H GLU 95 -5.007 -5.965 -9.202 738 HA GLU 95 HA GLU 95 -5.211 -8.028 -7.233 739 HB2 GLU 95 1HB GLU 95 -6.583 -7.701 -9.414 740 HB3 GLU 95 2HB GLU 95 -5.239 -8.524 -10.195 741 HG2 GLU 95 1HG GLU 95 -5.614 -10.506 -8.993 742 HG3 GLU 95 2HG GLU 95 -6.676 -9.701 -7.840 743 H PHE 96 H PHE 96 -3.402 -8.836 -6.373 744 HA PHE 96 HA PHE 96 -1.230 -9.614 -8.206 745 HB2 PHE 96 1HB PHE 96 -1.137 -8.576 -5.381 746 HB3 PHE 96 2HB PHE 96 0.211 -9.465 -6.081 747 HD1 PHE 96 1HD PHE 96 0.843 -8.560 -8.546 748 HD2 PHE 96 2HD PHE 96 -0.984 -6.297 -5.439 749 HE1 PHE 96 1HE PHE 96 1.683 -6.485 -9.569 750 HE2 PHE 96 2HE PHE 96 -0.148 -4.219 -6.456 751 HZ PHE 96 HZ PHE 96 1.186 -4.311 -8.524 752 H ARG 97 H ARG 97 -0.088 -11.563 -7.717 753 HA ARG 97 HA ARG 97 -1.465 -13.401 -5.888 754 HB2 ARG 97 1HB ARG 97 -2.172 -13.670 -8.338 755 HB3 ARG 97 2HB ARG 97 -0.546 -14.277 -8.618 756 HG2 ARG 97 1HG ARG 97 -1.020 -15.967 -6.786 757 HG3 ARG 97 2HG ARG 97 -2.708 -15.469 -6.913 758 HD2 ARG 97 1HD ARG 97 -2.580 -17.308 -8.332 759 HD3 ARG 97 2HD ARG 97 -2.434 -15.935 -9.428 760 HE ARG 97 HE ARG 97 0.136 -16.719 -8.654 761 HH11 ARG 97 2HH1 ARG 97 -2.557 -17.922 -10.503 762 HH12 ARG 97 1HH1 ARG 97 -1.572 -18.876 -11.562 763 HH21 ARG 97 2HH2 ARG 97 1.444 -17.971 -10.041 764 HH22 ARG 97 1HH2 ARG 97 0.703 -18.904 -11.298 765 H THR 98 H THR 98 -0.140 -14.653 -4.705 766 HA THR 98 HA THR 98 2.703 -14.203 -4.909 767 HB THR 98 HB THR 98 2.795 -15.755 -2.908 768 HG1 THR 98 1HG THR 98 0.937 -16.519 -2.085 769 HG21 THR 98 1HG2 THR 98 1.751 -14.095 -1.375 770 HG22 THR 98 2HG2 THR 98 1.053 -13.292 -2.781 771 HG23 THR 98 3HG2 THR 98 2.804 -13.365 -2.586 772 H SER 99 H SER 99 4.269 -15.965 -4.911 773 HA SER 99 HA SER 99 3.998 -17.674 -7.081 774 HB2 SER 99 1HB SER 99 6.099 -16.932 -5.643 775 HB3 SER 99 2HB SER 99 5.809 -18.477 -4.844 776 HG SER 99 HG SER 99 6.358 -18.001 -7.581 777 HA PRO 100 HA PRO 100 1.548 -21.030 -5.633 778 HB2 PRO 100 1HB PRO 100 2.385 -22.952 -7.358 779 HB3 PRO 100 2HB PRO 100 1.325 -21.622 -7.841 780 HG2 PRO 100 1HG PRO 100 4.283 -21.912 -8.198 781 HG3 PRO 100 2HG PRO 100 3.070 -21.317 -9.347 782 HD2 PRO 100 1HD PRO 100 4.661 -19.656 -7.918 783 HD3 PRO 100 2HD PRO 100 3.004 -19.223 -8.387 784 HA PRO 101 HA PRO 101 4.060 -23.288 -2.788 785 HB2 PRO 101 1HB PRO 101 2.303 -25.260 -2.161 786 HB3 PRO 101 2HB PRO 101 2.135 -23.602 -1.574 787 HG2 PRO 101 1HG PRO 101 0.755 -24.949 -3.863 788 HG3 PRO 101 2HG PRO 101 0.081 -23.868 -2.631 789 HD2 PRO 101 1HD PRO 101 0.705 -23.023 -5.126 790 HD3 PRO 101 2HD PRO 101 0.835 -21.971 -3.702 791 H SER 102 H SER 102 4.533 -25.738 -2.321 792 HA SER 102 HA SER 102 5.876 -26.771 -4.563 793 HB2 SER 102 1HB SER 102 6.650 -27.277 -2.324 794 HB3 SER 102 2HB SER 102 5.135 -28.094 -1.943 795 HG SER 102 HG SER 102 5.805 -29.815 -2.964 796 H GLY 103 H GLY 103 5.099 -27.817 -6.264 797 HA2 GLY 103 1HA GLY 103 3.321 -30.003 -6.097 798 HA3 GLY 103 2HA GLY 103 2.427 -28.570 -6.582 799 HA PRO 104 HA PRO 104 5.404 -30.310 -10.030 800 HB2 PRO 104 1HB PRO 104 4.612 -32.855 -10.547 801 HB3 PRO 104 2HB PRO 104 5.920 -32.465 -9.423 802 HG2 PRO 104 1HG PRO 104 3.058 -33.126 -8.843 803 HG3 PRO 104 2HG PRO 104 4.525 -33.682 -8.016 804 HD2 PRO 104 1HD PRO 104 2.966 -31.694 -7.040 805 HD3 PRO 104 2HD PRO 104 4.723 -31.737 -6.794 806 H SER 105 H SER 105 4.772 -30.749 -12.260 807 HA SER 105 HA SER 105 1.917 -30.180 -12.710 808 HB2 SER 105 1HB SER 105 3.662 -28.455 -13.424 809 HB3 SER 105 2HB SER 105 4.149 -29.613 -14.662 810 HG SER 105 HG SER 105 2.326 -27.876 -14.967 811 H SER 106 H SER 106 1.066 -32.192 -12.962 812 HA SER 106 HA SER 106 2.219 -34.402 -14.157 813 HB2 SER 106 1HB SER 106 0.159 -34.584 -12.886 814 HB3 SER 106 2HB SER 106 -0.700 -33.603 -14.073 815 HG SER 106 HG SER 106 -0.223 -35.285 -15.610 816 H GLY 107 H GLY 107 0.079 -31.988 -15.674 817 HA2 GLY 107 1HA GLY 107 -0.232 -31.411 -17.874 818 HA3 GLY 107 2HA GLY 107 1.455 -31.850 -18.091 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.853 -12.120 -24.292 2 HA2 GLY 1 1HA GLY 1 9.282 -9.908 -24.973 3 HA3 GLY 1 2HA GLY 1 7.779 -10.812 -25.083 4 H SER 2 H SER 2 6.978 -8.521 -24.842 5 HA SER 2 HA SER 2 6.651 -7.913 -21.977 6 HB2 SER 2 1HB SER 2 6.706 -5.573 -22.419 7 HB3 SER 2 2HB SER 2 8.085 -6.260 -23.276 8 HG SER 2 HG SER 2 7.115 -4.981 -24.749 9 H SER 3 H SER 3 4.633 -8.236 -21.348 10 HA SER 3 HA SER 3 2.400 -7.116 -22.699 11 HB2 SER 3 1HB SER 3 2.992 -10.023 -23.083 12 HB3 SER 3 2HB SER 3 1.311 -9.512 -22.927 13 HG SER 3 HG SER 3 2.567 -9.527 -25.111 14 H GLY 4 H GLY 4 0.289 -7.920 -21.650 15 HA2 GLY 4 1HA GLY 4 -0.768 -8.883 -19.719 16 HA3 GLY 4 2HA GLY 4 0.760 -8.742 -18.862 17 H SER 5 H SER 5 -2.050 -7.009 -20.031 18 HA SER 5 HA SER 5 -1.712 -5.059 -17.906 19 HB2 SER 5 1HB SER 5 -0.499 -3.960 -19.683 20 HB3 SER 5 2HB SER 5 -1.806 -4.267 -20.826 21 HG SER 5 HG SER 5 -1.746 -2.109 -19.878 22 H SER 6 H SER 6 -3.633 -3.737 -17.580 23 HA SER 6 HA SER 6 -6.059 -4.923 -18.757 24 HB2 SER 6 1HB SER 6 -7.082 -4.357 -16.423 25 HB3 SER 6 2HB SER 6 -6.122 -5.825 -16.607 26 HG SER 6 HG SER 6 -4.331 -4.634 -15.779 27 H GLY 7 H GLY 7 -4.694 -2.116 -17.062 28 HA2 GLY 7 1HA GLY 7 -5.360 -0.106 -18.697 29 HA3 GLY 7 2HA GLY 7 -6.903 -0.433 -17.923 30 H ALA 8 H ALA 8 -5.482 2.015 -17.756 31 HA ALA 8 HA ALA 8 -4.793 2.038 -14.889 32 HB1 ALA 8 1HB ALA 8 -3.441 3.246 -17.210 33 HB2 ALA 8 2HB ALA 8 -3.586 4.276 -15.785 34 HB3 ALA 8 3HB ALA 8 -2.786 2.709 -15.663 35 H GLU 9 H GLU 9 -6.328 2.990 -13.734 36 HA GLU 9 HA GLU 9 -8.180 4.844 -14.977 37 HB2 GLU 9 1HB GLU 9 -8.036 3.623 -12.221 38 HB3 GLU 9 2HB GLU 9 -9.250 4.808 -12.681 39 HG2 GLU 9 1HG GLU 9 -10.012 3.291 -14.466 40 HG3 GLU 9 2HG GLU 9 -8.842 2.094 -13.914 41 H SER 10 H SER 10 -8.852 6.732 -13.384 42 HA SER 10 HA SER 10 -7.012 8.725 -13.530 43 HB2 SER 10 1HB SER 10 -9.396 9.041 -12.911 44 HB3 SER 10 2HB SER 10 -9.035 8.430 -11.296 45 HG SER 10 HG SER 10 -7.771 10.201 -10.912 46 H LEU 11 H LEU 11 -5.291 9.458 -12.398 47 HA LEU 11 HA LEU 11 -4.697 8.794 -9.724 48 HB2 LEU 11 1HB LEU 11 -4.289 6.604 -11.002 49 HB3 LEU 11 2HB LEU 11 -2.873 7.416 -11.668 50 HG LEU 11 HG LEU 11 -1.932 7.650 -9.439 51 HD11 LEU 11 1HD1 LEU 11 -3.233 6.152 -7.678 52 HD12 LEU 11 2HD1 LEU 11 -4.616 6.681 -8.635 53 HD13 LEU 11 3HD1 LEU 11 -3.564 7.873 -7.873 54 HD21 LEU 11 1HD2 LEU 11 -1.173 5.499 -9.271 55 HD22 LEU 11 2HD2 LEU 11 -1.871 5.454 -10.891 56 HD23 LEU 11 3HD2 LEU 11 -2.771 4.796 -9.523 57 H SER 12 H SER 12 -3.209 10.178 -8.933 58 HA SER 12 HA SER 12 -2.366 12.377 -10.413 59 HB2 SER 12 1HB SER 12 -2.457 11.920 -7.808 60 HB3 SER 12 2HB SER 12 -0.758 11.511 -8.044 61 HG SER 12 HG SER 12 -2.062 13.968 -8.330 62 H GLY 13 H GLY 13 -0.414 9.601 -9.309 63 HA2 GLY 13 1HA GLY 13 1.001 9.223 -11.662 64 HA3 GLY 13 2HA GLY 13 1.916 10.399 -10.730 65 H LEU 14 H LEU 14 0.247 7.292 -10.186 66 HA LEU 14 HA LEU 14 2.681 6.307 -8.882 67 HB2 LEU 14 1HB LEU 14 -0.104 6.274 -7.756 68 HB3 LEU 14 2HB LEU 14 1.147 5.162 -7.204 69 HG LEU 14 HG LEU 14 1.412 8.161 -7.074 70 HD11 LEU 14 1HD1 LEU 14 1.055 6.863 -4.533 71 HD12 LEU 14 2HD1 LEU 14 -0.335 6.576 -5.580 72 HD13 LEU 14 3HD1 LEU 14 0.180 8.226 -5.231 73 HD21 LEU 14 1HD2 LEU 14 3.413 7.828 -6.105 74 HD22 LEU 14 2HD2 LEU 14 3.345 6.269 -6.929 75 HD23 LEU 14 3HD2 LEU 14 2.870 6.393 -5.234 76 H SER 15 H SER 15 2.756 3.952 -8.707 77 HA SER 15 HA SER 15 0.866 2.335 -10.110 78 HB2 SER 15 1HB SER 15 3.347 3.251 -11.500 79 HB3 SER 15 2HB SER 15 2.803 1.594 -11.763 80 HG SER 15 HG SER 15 1.881 2.986 -13.293 81 H LEU 16 H LEU 16 0.845 0.589 -8.872 82 HA LEU 16 HA LEU 16 3.101 -0.177 -7.275 83 HB2 LEU 16 1HB LEU 16 0.359 -1.311 -7.710 84 HB3 LEU 16 2HB LEU 16 1.568 -2.170 -6.757 85 HG LEU 16 HG LEU 16 0.858 0.650 -6.061 86 HD11 LEU 16 1HD1 LEU 16 -0.646 -1.695 -4.948 87 HD12 LEU 16 2HD1 LEU 16 -1.233 -0.791 -6.344 88 HD13 LEU 16 3HD1 LEU 16 -1.006 0.025 -4.798 89 HD21 LEU 16 1HD2 LEU 16 1.224 -1.218 -3.904 90 HD22 LEU 16 2HD2 LEU 16 2.138 0.240 -4.293 91 HD23 LEU 16 3HD2 LEU 16 2.578 -1.300 -5.031 92 H LYS 17 H LYS 17 4.770 -1.281 -8.034 93 HA LYS 17 HA LYS 17 4.333 -3.166 -10.252 94 HB2 LYS 17 1HB LYS 17 5.893 -1.484 -10.899 95 HB3 LYS 17 2HB LYS 17 6.775 -1.623 -9.384 96 HG2 LYS 17 1HG LYS 17 8.171 -2.782 -10.751 97 HG3 LYS 17 2HG LYS 17 7.128 -4.100 -10.212 98 HD2 LYS 17 1HD LYS 17 5.910 -4.096 -12.230 99 HD3 LYS 17 2HD LYS 17 6.560 -2.527 -12.711 100 HE2 LYS 17 1HE LYS 17 8.584 -3.413 -13.352 101 HE3 LYS 17 2HE LYS 17 8.438 -4.801 -12.275 102 HZ1 LYS 17 1HZ LYS 17 7.405 -4.427 -14.974 103 HZ2 LYS 17 2HZ LYS 17 6.421 -5.288 -13.902 104 HZ3 LYS 17 3HZ LYS 17 7.992 -5.825 -14.224 105 H LEU 18 H LEU 18 4.821 -5.279 -10.021 106 HA LEU 18 HA LEU 18 5.424 -6.235 -7.358 107 HB2 LEU 18 1HB LEU 18 3.710 -7.382 -8.560 108 HB3 LEU 18 2HB LEU 18 4.772 -7.632 -9.944 109 HG LEU 18 HG LEU 18 6.168 -9.123 -8.486 110 HD11 LEU 18 1HD1 LEU 18 5.774 -8.806 -6.291 111 HD12 LEU 18 2HD1 LEU 18 4.524 -10.021 -6.557 112 HD13 LEU 18 3HD1 LEU 18 4.101 -8.309 -6.549 113 HD21 LEU 18 1HD2 LEU 18 4.898 -10.982 -8.982 114 HD22 LEU 18 2HD2 LEU 18 4.214 -9.782 -10.078 115 HD23 LEU 18 3HD2 LEU 18 3.378 -10.185 -8.578 116 H VAL 19 H VAL 19 7.572 -5.661 -7.017 117 HA VAL 19 HA VAL 19 9.687 -6.154 -8.806 118 HB VAL 19 HB VAL 19 11.147 -6.007 -6.753 119 HG11 VAL 19 1HG1 VAL 19 9.881 -4.063 -8.174 120 HG12 VAL 19 2HG1 VAL 19 9.412 -3.656 -6.522 121 HG13 VAL 19 3HG1 VAL 19 11.119 -3.772 -6.953 122 HG21 VAL 19 1HG2 VAL 19 10.070 -6.653 -4.878 123 HG22 VAL 19 2HG2 VAL 19 9.588 -4.957 -4.821 124 HG23 VAL 19 3HG2 VAL 19 8.489 -6.164 -5.489 125 H LYS 20 H LYS 20 8.703 -7.973 -5.899 126 HA LYS 20 HA LYS 20 9.934 -10.365 -7.102 127 HB2 LYS 20 1HB LYS 20 11.215 -9.438 -5.152 128 HB3 LYS 20 2HB LYS 20 9.806 -9.750 -4.146 129 HG2 LYS 20 1HG LYS 20 10.007 -12.087 -4.422 130 HG3 LYS 20 2HG LYS 20 11.185 -11.903 -5.724 131 HD2 LYS 20 1HD LYS 20 11.802 -10.765 -3.036 132 HD3 LYS 20 2HD LYS 20 11.954 -12.506 -3.285 133 HE2 LYS 20 1HE LYS 20 13.377 -11.954 -5.305 134 HE3 LYS 20 2HE LYS 20 13.394 -10.289 -4.726 135 HZ1 LYS 20 1HZ LYS 20 15.300 -11.850 -4.058 136 HZ2 LYS 20 2HZ LYS 20 14.201 -12.499 -2.949 137 HZ3 LYS 20 3HZ LYS 20 14.618 -10.861 -2.867 138 H LYS 21 H LYS 21 8.754 -12.210 -7.096 139 HA LYS 21 HA LYS 21 6.070 -12.060 -5.890 140 HB2 LYS 21 1HB LYS 21 6.374 -12.215 -8.460 141 HB3 LYS 21 2HB LYS 21 6.798 -13.895 -8.157 142 HG2 LYS 21 1HG LYS 21 4.528 -13.828 -6.790 143 HG3 LYS 21 2HG LYS 21 4.183 -12.522 -7.926 144 HD2 LYS 21 1HD LYS 21 5.215 -15.178 -8.866 145 HD3 LYS 21 2HD LYS 21 3.494 -14.912 -8.577 146 HE2 LYS 21 1HE LYS 21 5.091 -13.058 -10.312 147 HE3 LYS 21 2HE LYS 21 4.409 -14.551 -10.955 148 HZ1 LYS 21 1HZ LYS 21 3.065 -12.109 -10.105 149 HZ2 LYS 21 2HZ LYS 21 2.272 -13.564 -9.770 150 HZ3 LYS 21 3HZ LYS 21 2.682 -13.173 -11.363 151 H GLU 22 H GLU 22 6.861 -12.890 -3.889 152 HA GLU 22 HA GLU 22 7.698 -15.708 -3.969 153 HB2 GLU 22 1HB GLU 22 8.132 -13.509 -1.971 154 HB3 GLU 22 2HB GLU 22 8.262 -15.194 -1.487 155 HG2 GLU 22 1HG GLU 22 9.840 -13.950 -3.724 156 HG3 GLU 22 2HG GLU 22 10.423 -14.126 -2.070 157 HA PRO 23 HA PRO 23 3.928 -17.083 -2.193 158 HB2 PRO 23 1HB PRO 23 4.786 -19.117 -0.613 159 HB3 PRO 23 2HB PRO 23 4.754 -19.219 -2.377 160 HG2 PRO 23 1HG PRO 23 7.055 -18.627 -0.555 161 HG3 PRO 23 2HG PRO 23 7.001 -19.674 -1.985 162 HD2 PRO 23 1HD PRO 23 8.023 -17.168 -2.053 163 HD3 PRO 23 2HD PRO 23 7.204 -17.903 -3.446 164 H ARG 24 H ARG 24 6.550 -16.175 -0.068 165 HA ARG 24 HA ARG 24 4.570 -15.458 1.987 166 HB2 ARG 24 1HB ARG 24 7.317 -16.612 2.505 167 HB3 ARG 24 2HB ARG 24 6.178 -16.077 3.733 168 HG2 ARG 24 1HG ARG 24 4.689 -17.845 3.264 169 HG3 ARG 24 2HG ARG 24 5.535 -18.257 1.771 170 HD2 ARG 24 1HD ARG 24 6.210 -19.885 3.324 171 HD3 ARG 24 2HD ARG 24 7.554 -18.747 3.239 172 HE ARG 24 HE ARG 24 5.723 -18.099 5.330 173 HH11 ARG 24 2HH1 ARG 24 8.382 -20.174 4.467 174 HH12 ARG 24 1HH1 ARG 24 8.905 -20.403 6.102 175 HH21 ARG 24 2HH2 ARG 24 6.402 -18.393 7.488 176 HH22 ARG 24 1HH2 ARG 24 7.777 -19.390 7.820 177 H GLN 25 H GLN 25 5.857 -13.902 -0.153 178 HA GLN 25 HA GLN 25 6.547 -11.610 1.385 179 HB2 GLN 25 1HB GLN 25 8.694 -12.670 1.603 180 HB3 GLN 25 2HB GLN 25 8.750 -13.024 -0.119 181 HG2 GLN 25 1HG GLN 25 8.950 -10.681 -0.641 182 HG3 GLN 25 2HG GLN 25 8.757 -10.255 1.059 183 HE21 GLN 25 1HE2 GLN 25 10.633 -9.494 1.732 184 HE22 GLN 25 2HE2 GLN 25 12.174 -10.234 1.485 185 H LEU 26 H LEU 26 6.265 -9.764 0.228 186 HA LEU 26 HA LEU 26 6.373 -9.763 -2.656 187 HB2 LEU 26 1HB LEU 26 3.783 -9.546 -1.157 188 HB3 LEU 26 2HB LEU 26 3.991 -8.823 -2.750 189 HG LEU 26 HG LEU 26 4.252 -11.761 -2.109 190 HD11 LEU 26 1HD1 LEU 26 2.005 -10.062 -3.040 191 HD12 LEU 26 2HD1 LEU 26 1.994 -11.499 -2.019 192 HD13 LEU 26 3HD1 LEU 26 2.188 -11.660 -3.764 193 HD21 LEU 26 1HD2 LEU 26 3.877 -11.125 -4.877 194 HD22 LEU 26 2HD2 LEU 26 5.185 -12.021 -4.105 195 HD23 LEU 26 3HD2 LEU 26 5.285 -10.266 -4.252 196 H GLU 27 H GLU 27 7.381 -7.933 -3.120 197 HA GLU 27 HA GLU 27 6.876 -5.576 -1.428 198 HB2 GLU 27 1HB GLU 27 9.185 -6.301 -1.306 199 HB3 GLU 27 2HB GLU 27 9.310 -6.313 -3.059 200 HG2 GLU 27 1HG GLU 27 9.098 -3.925 -3.147 201 HG3 GLU 27 2HG GLU 27 8.784 -3.850 -1.414 202 H LEU 28 H LEU 28 6.903 -3.483 -2.491 203 HA LEU 28 HA LEU 28 6.318 -3.547 -5.362 204 HB2 LEU 28 1HB LEU 28 4.628 -1.938 -3.479 205 HB3 LEU 28 2HB LEU 28 4.319 -2.336 -5.167 206 HG LEU 28 HG LEU 28 4.260 -4.334 -2.908 207 HD11 LEU 28 1HD1 LEU 28 1.965 -4.108 -2.769 208 HD12 LEU 28 2HD1 LEU 28 1.842 -3.311 -4.338 209 HD13 LEU 28 3HD1 LEU 28 2.495 -2.436 -2.953 210 HD21 LEU 28 1HD2 LEU 28 4.663 -4.885 -5.487 211 HD22 LEU 28 2HD2 LEU 28 2.903 -4.768 -5.504 212 HD23 LEU 28 3HD2 LEU 28 3.700 -5.919 -4.431 213 H THR 29 H THR 29 6.691 -1.590 -6.459 214 HA THR 29 HA THR 29 7.928 0.575 -4.917 215 HB THR 29 HB THR 29 9.843 -0.658 -5.627 216 HG1 THR 29 1HG THR 29 10.557 0.897 -7.440 217 HG21 THR 29 1HG2 THR 29 8.668 -1.991 -7.376 218 HG22 THR 29 2HG2 THR 29 10.238 -1.374 -7.893 219 HG23 THR 29 3HG2 THR 29 8.757 -0.590 -8.443 220 H TRP 30 H TRP 30 6.911 2.393 -5.413 221 HA TRP 30 HA TRP 30 5.954 2.760 -8.177 222 HB2 TRP 30 1HB TRP 30 4.146 4.196 -7.180 223 HB3 TRP 30 2HB TRP 30 4.026 2.484 -6.781 224 HD1 TRP 30 HD TRP 30 4.850 5.874 -5.192 225 HE1 TRP 30 1HE TRP 30 4.688 5.639 -2.634 226 HE3 TRP 30 3HE TRP 30 4.187 0.815 -4.882 227 HZ2 TRP 30 2HZ TRP 30 4.327 3.581 -0.736 228 HZ3 TRP 30 3HZ TRP 30 3.942 -0.209 -2.658 229 HH2 TRP 30 HH TRP 30 4.012 1.148 -0.629 230 H ALA 31 H ALA 31 7.348 4.126 -9.103 231 HA ALA 31 HA ALA 31 7.924 6.649 -7.703 232 HB1 ALA 31 1HB ALA 31 9.921 5.323 -7.525 233 HB2 ALA 31 2HB ALA 31 9.893 4.975 -9.254 234 HB3 ALA 31 3HB ALA 31 10.198 6.618 -8.691 235 H GLY 32 H GLY 32 7.454 8.411 -8.857 236 HA2 GLY 32 1HA GLY 32 6.324 8.182 -11.464 237 HA3 GLY 32 2HA GLY 32 6.643 9.678 -10.599 238 H SER 33 H SER 33 7.459 7.858 -13.254 239 HA SER 33 HA SER 33 10.232 8.427 -13.478 240 HB2 SER 33 1HB SER 33 9.337 6.619 -14.775 241 HB3 SER 33 2HB SER 33 8.148 7.676 -15.536 242 HG SER 33 HG SER 33 10.937 8.078 -15.801 243 H ARG 34 H ARG 34 10.765 10.543 -13.257 244 HA ARG 34 HA ARG 34 10.125 12.296 -15.463 245 HB2 ARG 34 1HB ARG 34 9.057 12.726 -12.708 246 HB3 ARG 34 2HB ARG 34 9.578 14.129 -13.633 247 HG2 ARG 34 1HG ARG 34 8.063 13.025 -15.492 248 HG3 ARG 34 2HG ARG 34 7.287 12.299 -14.082 249 HD2 ARG 34 1HD ARG 34 6.071 14.224 -14.241 250 HD3 ARG 34 2HD ARG 34 7.376 14.784 -13.196 251 HE ARG 34 HE ARG 34 8.331 15.371 -15.626 252 HH11 ARG 34 2HH1 ARG 34 5.225 15.945 -14.162 253 HH12 ARG 34 1HH1 ARG 34 4.923 17.393 -15.064 254 HH21 ARG 34 2HH2 ARG 34 7.945 17.276 -16.819 255 HH22 ARG 34 1HH2 ARG 34 6.470 18.149 -16.575 256 HA PRO 35 HA PRO 35 14.217 13.699 -14.708 257 HB2 PRO 35 1HB PRO 35 14.091 16.200 -15.755 258 HB3 PRO 35 2HB PRO 35 14.098 14.741 -16.752 259 HG2 PRO 35 1HG PRO 35 11.786 16.439 -15.899 260 HG3 PRO 35 2HG PRO 35 12.122 15.722 -17.485 261 HD2 PRO 35 1HD PRO 35 10.362 14.634 -15.738 262 HD3 PRO 35 2HD PRO 35 11.328 13.651 -16.857 263 H ARG 36 H ARG 36 11.553 14.979 -13.116 264 HA ARG 36 HA ARG 36 13.221 16.105 -11.047 265 HB2 ARG 36 1HB ARG 36 12.863 17.977 -12.696 266 HB3 ARG 36 2HB ARG 36 11.145 17.877 -12.337 267 HG2 ARG 36 1HG ARG 36 11.379 18.795 -10.263 268 HG3 ARG 36 2HG ARG 36 13.031 18.206 -10.068 269 HD2 ARG 36 1HD ARG 36 13.357 20.475 -10.358 270 HD3 ARG 36 2HD ARG 36 13.571 19.858 -11.996 271 HE ARG 36 HE ARG 36 10.971 20.469 -11.992 272 HH11 ARG 36 2HH1 ARG 36 13.754 22.258 -10.908 273 HH12 ARG 36 1HH1 ARG 36 13.056 23.806 -11.251 274 HH21 ARG 36 2HH2 ARG 36 10.040 22.501 -12.447 275 HH22 ARG 36 1HH2 ARG 36 10.943 23.943 -12.126 276 H ASN 37 H ASN 37 12.409 15.324 -9.227 277 HA ASN 37 HA ASN 37 9.497 14.913 -9.044 278 HB2 ASN 37 1HB ASN 37 11.792 13.362 -7.849 279 HB3 ASN 37 2HB ASN 37 10.143 13.207 -7.249 280 HD21 ASN 37 1HD2 ASN 37 10.607 10.944 -7.905 281 HD22 ASN 37 2HD2 ASN 37 10.236 10.491 -9.531 282 HA PRO 38 HA PRO 38 10.263 18.214 -5.996 283 HB2 PRO 38 1HB PRO 38 7.723 19.170 -6.093 284 HB3 PRO 38 2HB PRO 38 8.963 19.616 -7.271 285 HG2 PRO 38 1HG PRO 38 6.772 17.589 -7.502 286 HG3 PRO 38 2HG PRO 38 7.332 18.772 -8.698 287 HD2 PRO 38 1HD PRO 38 8.059 16.165 -8.779 288 HD3 PRO 38 2HD PRO 38 9.126 17.471 -9.332 289 H GLY 39 H GLY 39 10.367 17.438 -3.976 290 HA2 GLY 39 1HA GLY 39 8.234 17.148 -2.280 291 HA3 GLY 39 2HA GLY 39 8.480 15.541 -2.948 292 H GLY 40 H GLY 40 8.718 15.958 -0.247 293 HA2 GLY 40 1HA GLY 40 11.421 15.072 0.193 294 HA3 GLY 40 2HA GLY 40 11.099 16.658 0.878 295 H ASN 41 H ASN 41 9.343 16.832 2.445 296 HA ASN 41 HA ASN 41 9.386 14.583 4.256 297 HB2 ASN 41 1HB ASN 41 8.130 17.327 4.459 298 HB3 ASN 41 2HB ASN 41 8.073 16.123 5.743 299 HD21 ASN 41 1HD2 ASN 41 9.124 18.351 6.516 300 HD22 ASN 41 2HD2 ASN 41 10.849 18.293 6.595 301 H LEU 42 H LEU 42 8.053 14.008 1.844 302 HA LEU 42 HA LEU 42 5.204 14.118 2.408 303 HB2 LEU 42 1HB LEU 42 6.859 13.185 0.095 304 HB3 LEU 42 2HB LEU 42 5.159 12.738 0.220 305 HG LEU 42 HG LEU 42 5.907 15.621 0.388 306 HD11 LEU 42 1HD1 LEU 42 6.983 14.282 -1.640 307 HD12 LEU 42 2HD1 LEU 42 6.314 15.903 -1.826 308 HD13 LEU 42 3HD1 LEU 42 5.360 14.496 -2.297 309 HD21 LEU 42 1HD2 LEU 42 3.719 15.690 -0.953 310 HD22 LEU 42 2HD2 LEU 42 3.635 15.250 0.753 311 HD23 LEU 42 3HD2 LEU 42 3.542 13.998 -0.487 312 H SER 43 H SER 43 3.911 12.089 2.154 313 HA SER 43 HA SER 43 5.327 9.694 3.080 314 HB2 SER 43 1HB SER 43 2.879 10.883 4.406 315 HB3 SER 43 2HB SER 43 3.540 9.289 4.768 316 HG SER 43 HG SER 43 4.214 11.490 5.918 317 H TYR 44 H TYR 44 3.636 7.809 3.197 318 HA TYR 44 HA TYR 44 1.626 8.009 1.094 319 HB2 TYR 44 1HB TYR 44 3.654 5.783 0.996 320 HB3 TYR 44 2HB TYR 44 2.476 6.239 -0.229 321 HD1 TYR 44 1HD TYR 44 5.682 7.148 1.341 322 HD2 TYR 44 2HD TYR 44 2.935 7.993 -1.797 323 HE1 TYR 44 1HE TYR 44 7.381 8.543 0.237 324 HE2 TYR 44 2HE TYR 44 4.627 9.389 -2.910 325 HH TYR 44 HH TYR 44 7.106 9.595 -2.953 326 H GLU 45 H GLU 45 -0.086 6.649 1.370 327 HA GLU 45 HA GLU 45 -0.064 5.044 3.826 328 HB2 GLU 45 1HB GLU 45 -1.789 6.770 3.704 329 HB3 GLU 45 2HB GLU 45 -2.378 6.097 2.191 330 HG2 GLU 45 1HG GLU 45 -3.879 5.190 3.634 331 HG3 GLU 45 2HG GLU 45 -2.652 3.924 3.642 332 H LEU 46 H LEU 46 0.080 2.915 3.669 333 HA LEU 46 HA LEU 46 -0.605 1.637 1.112 334 HB2 LEU 46 1HB LEU 46 1.725 1.491 2.352 335 HB3 LEU 46 2HB LEU 46 0.903 0.212 3.244 336 HG LEU 46 HG LEU 46 2.326 -0.480 1.251 337 HD11 LEU 46 1HD1 LEU 46 0.436 -1.776 2.422 338 HD12 LEU 46 2HD1 LEU 46 0.973 -2.321 0.834 339 HD13 LEU 46 3HD1 LEU 46 -0.515 -1.388 0.988 340 HD21 LEU 46 1HD2 LEU 46 1.751 0.046 -0.867 341 HD22 LEU 46 2HD2 LEU 46 1.032 1.456 -0.089 342 HD23 LEU 46 3HD2 LEU 46 0.024 0.071 -0.510 343 H HIS 47 H HIS 47 -2.123 0.071 0.996 344 HA HIS 47 HA HIS 47 -3.266 -0.963 3.494 345 HB2 HIS 47 1HB HIS 47 -4.687 0.902 2.716 346 HB3 HIS 47 2HB HIS 47 -4.894 0.086 1.169 347 HD1 HIS 47 1HD HIS 47 -7.479 0.073 1.655 348 HD2 HIS 47 2HD HIS 47 -5.181 -2.181 4.283 349 HE1 HIS 47 1HE HIS 47 -9.108 -1.404 2.876 350 HE2 HIS 47 2HE HIS 47 -7.704 -2.697 4.520 351 H VAL 48 H VAL 48 -3.147 -3.099 3.455 352 HA VAL 48 HA VAL 48 -3.359 -4.477 0.857 353 HB VAL 48 HB VAL 48 -1.912 -5.391 3.348 354 HG11 VAL 48 1HG1 VAL 48 -1.410 -6.786 0.827 355 HG12 VAL 48 2HG1 VAL 48 -1.676 -7.430 2.448 356 HG13 VAL 48 3HG1 VAL 48 -3.052 -6.982 1.440 357 HG21 VAL 48 1HG2 VAL 48 -0.197 -5.216 1.116 358 HG22 VAL 48 2HG2 VAL 48 -1.107 -3.707 1.183 359 HG23 VAL 48 3HG2 VAL 48 -0.175 -4.237 2.583 360 H LEU 49 H LEU 49 -4.970 -5.886 0.579 361 HA LEU 49 HA LEU 49 -6.512 -6.709 2.952 362 HB2 LEU 49 1HB LEU 49 -7.503 -6.298 0.135 363 HB3 LEU 49 2HB LEU 49 -8.479 -6.812 1.509 364 HG LEU 49 HG LEU 49 -7.729 -4.539 2.543 365 HD11 LEU 49 1HD1 LEU 49 -7.728 -3.513 -0.220 366 HD12 LEU 49 2HD1 LEU 49 -6.255 -4.329 0.305 367 HD13 LEU 49 3HD1 LEU 49 -6.864 -2.942 1.209 368 HD21 LEU 49 1HD2 LEU 49 -9.763 -4.863 0.347 369 HD22 LEU 49 2HD2 LEU 49 -9.647 -3.424 1.361 370 HD23 LEU 49 3HD2 LEU 49 -10.017 -4.989 2.088 371 H ASN 50 H ASN 50 -6.504 -8.810 3.375 372 HA ASN 50 HA ASN 50 -5.556 -10.667 1.325 373 HB2 ASN 50 1HB ASN 50 -4.346 -11.191 3.194 374 HB3 ASN 50 2HB ASN 50 -5.611 -10.652 4.295 375 HD21 ASN 50 1HD2 ASN 50 -4.158 -13.294 2.752 376 HD22 ASN 50 2HD2 ASN 50 -5.243 -14.520 3.301 377 H GLN 51 H GLN 51 -6.602 -12.908 1.424 378 HA GLN 51 HA GLN 51 -9.104 -12.910 0.406 379 HB2 GLN 51 1HB GLN 51 -7.722 -14.995 2.078 380 HB3 GLN 51 2HB GLN 51 -9.308 -15.282 1.374 381 HG2 GLN 51 1HG GLN 51 -8.083 -14.498 -0.827 382 HG3 GLN 51 2HG GLN 51 -6.660 -15.044 0.060 383 HE21 GLN 51 1HE2 GLN 51 -9.367 -15.960 -1.768 384 HE22 GLN 51 2HE2 GLN 51 -9.179 -17.672 -1.635 385 H ASP 52 H ASP 52 -8.592 -13.965 3.772 386 HA ASP 52 HA ASP 52 -11.235 -12.837 4.420 387 HB2 ASP 52 1HB ASP 52 -10.618 -15.403 4.663 388 HB3 ASP 52 2HB ASP 52 -9.917 -14.855 6.184 389 H GLU 53 H GLU 53 -8.846 -11.265 4.380 390 HA GLU 53 HA GLU 53 -8.949 -10.257 7.093 391 HB2 GLU 53 1HB GLU 53 -6.482 -11.462 5.890 392 HB3 GLU 53 2HB GLU 53 -6.338 -10.123 7.021 393 HG2 GLU 53 1HG GLU 53 -7.676 -12.763 7.570 394 HG3 GLU 53 2HG GLU 53 -6.085 -12.264 8.141 395 H GLU 54 H GLU 54 -7.806 -8.158 7.297 396 HA GLU 54 HA GLU 54 -7.083 -6.785 4.867 397 HB2 GLU 54 1HB GLU 54 -9.393 -6.452 4.581 398 HB3 GLU 54 2HB GLU 54 -9.661 -6.207 6.301 399 HG2 GLU 54 1HG GLU 54 -8.053 -4.141 5.862 400 HG3 GLU 54 2HG GLU 54 -8.711 -4.312 4.236 401 H TRP 55 H TRP 55 -5.315 -5.738 5.469 402 HA TRP 55 HA TRP 55 -5.370 -4.207 7.976 403 HB2 TRP 55 1HB TRP 55 -3.241 -4.958 8.653 404 HB3 TRP 55 2HB TRP 55 -4.082 -6.419 8.140 405 HD1 TRP 55 HD TRP 55 -1.429 -3.933 6.819 406 HE1 TRP 55 1HE TRP 55 0.093 -5.194 5.170 407 HE3 TRP 55 3HE TRP 55 -3.876 -8.421 6.726 408 HZ2 TRP 55 2HZ TRP 55 0.236 -7.752 3.985 409 HZ3 TRP 55 3HZ TRP 55 -2.982 -10.222 5.308 410 HH2 TRP 55 HH TRP 55 -0.969 -9.893 3.966 411 H HIS 56 H HIS 56 -4.277 -2.263 7.950 412 HA HIS 56 HA HIS 56 -3.004 -1.493 5.412 413 HB2 HIS 56 1HB HIS 56 -4.140 0.583 5.349 414 HB3 HIS 56 2HB HIS 56 -5.383 -0.618 5.686 415 HD1 HIS 56 1HD HIS 56 -5.436 2.499 6.441 416 HD2 HIS 56 2HD HIS 56 -4.685 -0.680 9.008 417 HE1 HIS 56 1HE HIS 56 -6.008 3.342 8.741 418 HE2 HIS 56 2HE HIS 56 -5.465 1.429 10.286 419 H GLN 57 H GLN 57 -1.251 -0.133 5.559 420 HA GLN 57 HA GLN 57 -0.497 0.930 8.167 421 HB2 GLN 57 1HB GLN 57 1.683 -0.083 8.170 422 HB3 GLN 57 2HB GLN 57 0.483 -1.358 8.010 423 HG2 GLN 57 1HG GLN 57 0.927 -1.550 5.655 424 HG3 GLN 57 2HG GLN 57 2.027 -0.174 5.716 425 HE21 GLN 57 1HE2 GLN 57 2.636 -2.796 4.786 426 HE22 GLN 57 2HE2 GLN 57 3.878 -3.430 5.806 427 H MET 58 H MET 58 0.421 2.881 8.006 428 HA MET 58 HA MET 58 0.792 4.035 5.393 429 HB2 MET 58 1HB MET 58 -0.112 5.119 7.625 430 HB3 MET 58 2HB MET 58 1.593 5.451 7.899 431 HG2 MET 58 1HG MET 58 1.667 6.590 5.696 432 HG3 MET 58 2HG MET 58 -0.076 6.360 5.569 433 HE1 MET 58 1HE MET 58 2.414 7.723 8.552 434 HE2 MET 58 2HE MET 58 2.835 8.215 6.911 435 HE3 MET 58 3HE MET 58 2.207 9.403 8.054 436 H VAL 59 H VAL 59 2.632 4.145 4.292 437 HA VAL 59 HA VAL 59 5.144 3.548 5.706 438 HB VAL 59 HB VAL 59 6.053 2.911 3.500 439 HG11 VAL 59 1HG1 VAL 59 3.582 1.295 3.683 440 HG12 VAL 59 2HG1 VAL 59 5.272 0.788 3.653 441 HG13 VAL 59 3HG1 VAL 59 4.565 1.416 5.142 442 HG21 VAL 59 1HG2 VAL 59 3.502 4.026 2.610 443 HG22 VAL 59 2HG2 VAL 59 5.015 3.811 1.729 444 HG23 VAL 59 3HG2 VAL 59 3.888 2.464 1.887 445 H LEU 60 H LEU 60 6.994 4.782 5.299 446 HA LEU 60 HA LEU 60 6.434 7.524 4.508 447 HB2 LEU 60 1HB LEU 60 8.884 6.241 5.705 448 HB3 LEU 60 2HB LEU 60 8.728 7.960 5.349 449 HG LEU 60 HG LEU 60 7.056 6.425 7.339 450 HD11 LEU 60 1HD1 LEU 60 8.431 7.117 9.000 451 HD12 LEU 60 2HD1 LEU 60 8.906 8.587 8.150 452 HD13 LEU 60 3HD1 LEU 60 9.625 7.040 7.704 453 HD21 LEU 60 1HD2 LEU 60 6.777 9.037 6.100 454 HD22 LEU 60 2HD2 LEU 60 6.866 9.131 7.859 455 HD23 LEU 60 3HD2 LEU 60 5.637 8.126 7.090 456 H GLU 61 H GLU 61 7.952 4.699 3.258 457 HA GLU 61 HA GLU 61 9.154 6.274 1.080 458 HB2 GLU 61 1HB GLU 61 10.544 4.246 0.650 459 HB3 GLU 61 2HB GLU 61 10.832 4.990 2.216 460 HG2 GLU 61 1HG GLU 61 9.243 3.285 3.181 461 HG3 GLU 61 2HG GLU 61 9.315 2.470 1.620 462 HA PRO 62 HA PRO 62 6.330 4.584 -1.824 463 HB2 PRO 62 1HB PRO 62 7.884 4.457 -4.047 464 HB3 PRO 62 2HB PRO 62 7.284 5.980 -3.380 465 HG2 PRO 62 1HG PRO 62 9.974 4.704 -3.068 466 HG3 PRO 62 2HG PRO 62 9.571 6.404 -3.368 467 HD2 PRO 62 1HD PRO 62 10.225 5.474 -0.910 468 HD3 PRO 62 2HD PRO 62 9.080 6.810 -1.152 469 H ARG 63 H ARG 63 8.827 2.823 -0.569 470 HA ARG 63 HA ARG 63 8.119 0.438 -2.150 471 HB2 ARG 63 1HB ARG 63 10.328 -0.470 -1.563 472 HB3 ARG 63 2HB ARG 63 10.459 1.041 -2.454 473 HG2 ARG 63 1HG ARG 63 10.662 2.152 -0.151 474 HG3 ARG 63 2HG ARG 63 10.976 0.522 0.449 475 HD2 ARG 63 1HD ARG 63 13.064 1.661 -0.026 476 HD3 ARG 63 2HD ARG 63 12.837 0.311 -1.137 477 HE ARG 63 HE ARG 63 11.856 2.339 -2.565 478 HH11 ARG 63 2HH1 ARG 63 14.792 2.049 -0.718 479 HH12 ARG 63 1HH1 ARG 63 15.688 3.138 -1.725 480 HH21 ARG 63 2HH2 ARG 63 13.024 3.775 -3.899 481 HH22 ARG 63 1HH2 ARG 63 14.680 4.120 -3.534 482 H VAL 64 H VAL 64 6.887 -0.944 -1.076 483 HA VAL 64 HA VAL 64 7.135 -1.073 1.859 484 HB VAL 64 HB VAL 64 4.938 -0.292 1.203 485 HG11 VAL 64 1HG1 VAL 64 5.207 -2.381 -0.813 486 HG12 VAL 64 2HG1 VAL 64 3.635 -2.382 -0.011 487 HG13 VAL 64 3HG1 VAL 64 4.215 -0.923 -0.816 488 HG21 VAL 64 1HG2 VAL 64 3.563 -2.260 2.122 489 HG22 VAL 64 2HG2 VAL 64 5.114 -3.083 2.289 490 HG23 VAL 64 3HG2 VAL 64 4.820 -1.573 3.151 491 H LEU 65 H LEU 65 7.545 -2.990 2.815 492 HA LEU 65 HA LEU 65 7.874 -5.319 1.047 493 HB2 LEU 65 1HB LEU 65 9.838 -4.285 2.367 494 HB3 LEU 65 2HB LEU 65 9.099 -5.056 3.769 495 HG LEU 65 HG LEU 65 10.904 -6.419 2.902 496 HD11 LEU 65 1HD1 LEU 65 8.443 -7.304 3.577 497 HD12 LEU 65 2HD1 LEU 65 9.816 -8.356 3.236 498 HD13 LEU 65 3HD1 LEU 65 8.624 -8.027 1.979 499 HD21 LEU 65 1HD2 LEU 65 11.322 -6.620 0.734 500 HD22 LEU 65 2HD2 LEU 65 9.938 -5.580 0.397 501 HD23 LEU 65 3HD2 LEU 65 9.732 -7.331 0.456 502 H LEU 66 H LEU 66 6.134 -6.586 1.163 503 HA LEU 66 HA LEU 66 4.772 -6.934 3.731 504 HB2 LEU 66 1HB LEU 66 3.942 -7.888 0.996 505 HB3 LEU 66 2HB LEU 66 2.963 -7.912 2.461 506 HG LEU 66 HG LEU 66 3.952 -5.365 1.195 507 HD11 LEU 66 1HD1 LEU 66 2.606 -6.426 -0.466 508 HD12 LEU 66 2HD1 LEU 66 1.634 -5.169 0.298 509 HD13 LEU 66 3HD1 LEU 66 1.381 -6.861 0.726 510 HD21 LEU 66 1HD2 LEU 66 1.729 -5.939 3.152 511 HD22 LEU 66 2HD2 LEU 66 2.172 -4.355 2.516 512 HD23 LEU 66 3HD2 LEU 66 3.297 -5.236 3.550 513 H THR 67 H THR 67 5.006 -8.717 4.908 514 HA THR 67 HA THR 67 6.035 -11.148 3.603 515 HB THR 67 HB THR 67 7.342 -11.640 5.654 516 HG1 THR 67 1HG THR 67 7.550 -10.087 7.231 517 HG21 THR 67 1HG2 THR 67 8.181 -10.304 3.571 518 HG22 THR 67 2HG2 THR 67 9.191 -10.404 5.014 519 HG23 THR 67 3HG2 THR 67 8.241 -8.952 4.700 520 H LYS 68 H LYS 68 5.919 -12.993 5.444 521 HA LYS 68 HA LYS 68 4.527 -14.440 6.513 522 HB2 LYS 68 1HB LYS 68 3.679 -11.790 7.638 523 HB3 LYS 68 2HB LYS 68 2.832 -13.260 8.100 524 HG2 LYS 68 1HG LYS 68 5.081 -14.198 8.762 525 HG3 LYS 68 2HG LYS 68 5.717 -12.564 8.561 526 HD2 LYS 68 1HD LYS 68 4.106 -11.740 10.215 527 HD3 LYS 68 2HD LYS 68 3.480 -13.378 10.418 528 HE2 LYS 68 1HE LYS 68 5.604 -14.130 11.274 529 HE3 LYS 68 2HE LYS 68 6.337 -12.563 10.937 530 HZ1 LYS 68 1HZ LYS 68 4.147 -13.062 12.881 531 HZ2 LYS 68 2HZ LYS 68 4.857 -11.561 12.561 532 HZ3 LYS 68 3HZ LYS 68 5.771 -12.793 13.273 533 H LEU 69 H LEU 69 3.822 -13.849 3.883 534 HA LEU 69 HA LEU 69 0.915 -13.546 3.885 535 HB2 LEU 69 1HB LEU 69 2.770 -13.839 1.531 536 HB3 LEU 69 2HB LEU 69 1.082 -13.332 1.499 537 HG LEU 69 HG LEU 69 3.263 -11.744 2.840 538 HD11 LEU 69 1HD1 LEU 69 2.110 -11.329 0.087 539 HD12 LEU 69 2HD1 LEU 69 3.700 -12.015 0.418 540 HD13 LEU 69 3HD1 LEU 69 3.344 -10.351 0.883 541 HD21 LEU 69 1HD2 LEU 69 0.504 -10.958 1.910 542 HD22 LEU 69 2HD2 LEU 69 1.657 -9.946 2.779 543 HD23 LEU 69 3HD2 LEU 69 0.935 -11.345 3.576 544 H GLN 70 H GLN 70 0.004 -15.016 1.894 545 HA GLN 70 HA GLN 70 0.701 -17.780 2.637 546 HB2 GLN 70 1HB GLN 70 -1.951 -16.680 1.690 547 HB3 GLN 70 2HB GLN 70 -1.623 -18.370 2.050 548 HG2 GLN 70 1HG GLN 70 -1.041 -17.643 4.386 549 HG3 GLN 70 2HG GLN 70 -1.683 -16.056 3.963 550 HE21 GLN 70 1HE2 GLN 70 -2.416 -18.886 5.411 551 HE22 GLN 70 2HE2 GLN 70 -4.134 -18.878 5.234 552 HA PRO 71 HA PRO 71 1.926 -18.415 -1.552 553 HB2 PRO 71 1HB PRO 71 1.849 -21.129 -1.570 554 HB3 PRO 71 2HB PRO 71 3.124 -20.210 -0.761 555 HG2 PRO 71 1HG PRO 71 0.683 -21.493 0.404 556 HG3 PRO 71 2HG PRO 71 2.344 -21.480 1.024 557 HD2 PRO 71 1HD PRO 71 0.418 -19.837 1.985 558 HD3 PRO 71 2HD PRO 71 2.129 -19.365 1.917 559 H ASP 72 H ASP 72 0.940 -18.605 -3.493 560 HA ASP 72 HA ASP 72 -0.709 -18.844 -5.042 561 HB2 ASP 72 1HB ASP 72 -0.447 -21.218 -4.685 562 HB3 ASP 72 2HB ASP 72 -1.450 -21.155 -3.239 563 H THR 73 H THR 73 -1.189 -16.818 -3.358 564 HA THR 73 HA THR 73 -4.107 -16.864 -3.136 565 HB THR 73 HB THR 73 -2.340 -15.817 -0.917 566 HG1 THR 73 1HG THR 73 -3.744 -17.691 0.084 567 HG21 THR 73 1HG2 THR 73 -5.262 -16.299 -0.625 568 HG22 THR 73 2HG2 THR 73 -4.742 -14.863 -1.507 569 HG23 THR 73 3HG2 THR 73 -4.230 -15.107 0.163 570 H THR 74 H THR 74 -5.096 -14.914 -3.532 571 HA THR 74 HA THR 74 -3.441 -12.904 -4.809 572 HB THR 74 HB THR 74 -6.447 -12.930 -4.479 573 HG1 THR 74 1HG THR 74 -5.095 -14.648 -5.804 574 HG21 THR 74 1HG2 THR 74 -5.185 -11.609 -6.786 575 HG22 THR 74 2HG2 THR 74 -4.873 -10.847 -5.227 576 HG23 THR 74 3HG2 THR 74 -6.531 -11.085 -5.776 577 H TYR 75 H TYR 75 -2.772 -11.086 -3.881 578 HA TYR 75 HA TYR 75 -4.123 -10.195 -1.417 579 HB2 TYR 75 1HB TYR 75 -1.201 -10.225 -2.143 580 HB3 TYR 75 2HB TYR 75 -1.825 -9.169 -0.881 581 HD1 TYR 75 2HD TYR 75 -2.671 -10.095 1.213 582 HD2 TYR 75 1HD TYR 75 -1.080 -12.621 -1.819 583 HE1 TYR 75 2HE TYR 75 -2.510 -11.934 2.837 584 HE2 TYR 75 1HE TYR 75 -0.916 -14.468 -0.203 585 HH TYR 75 HH TYR 75 -1.320 -14.000 3.169 586 H ILE 76 H ILE 76 -5.202 -8.373 -1.721 587 HA ILE 76 HA ILE 76 -4.603 -6.627 -3.942 588 HB ILE 76 HB ILE 76 -6.623 -6.119 -1.765 589 HG12 ILE 76 1HG1 ILE 76 -6.790 -8.419 -2.905 590 HG13 ILE 76 2HG1 ILE 76 -8.230 -7.407 -2.903 591 HG21 ILE 76 1HG2 ILE 76 -7.728 -5.137 -3.977 592 HG22 ILE 76 2HG2 ILE 76 -6.617 -4.199 -2.979 593 HG23 ILE 76 3HG2 ILE 76 -6.032 -4.993 -4.441 594 HD11 ILE 76 1HD1 ILE 76 -8.035 -6.919 -5.164 595 HD12 ILE 76 2HD1 ILE 76 -6.336 -7.393 -5.217 596 HD13 ILE 76 3HD1 ILE 76 -7.591 -8.623 -5.061 597 H VAL 77 H VAL 77 -3.567 -4.720 -3.885 598 HA VAL 77 HA VAL 77 -2.986 -3.490 -1.286 599 HB VAL 77 HB VAL 77 -0.882 -3.880 -3.417 600 HG11 VAL 77 1HG1 VAL 77 -0.532 -1.876 -2.123 601 HG12 VAL 77 2HG1 VAL 77 -0.751 -2.769 -0.617 602 HG13 VAL 77 3HG1 VAL 77 0.648 -3.094 -1.641 603 HG21 VAL 77 1HG2 VAL 77 -0.755 -5.972 -2.629 604 HG22 VAL 77 2HG2 VAL 77 -0.020 -5.240 -1.202 605 HG23 VAL 77 3HG2 VAL 77 -1.746 -5.600 -1.219 606 H ARG 78 H ARG 78 -2.634 -1.253 -1.340 607 HA ARG 78 HA ARG 78 -2.770 0.149 -3.875 608 HB2 ARG 78 1HB ARG 78 -4.711 1.549 -3.044 609 HB3 ARG 78 2HB ARG 78 -5.104 -0.093 -3.537 610 HG2 ARG 78 1HG ARG 78 -5.209 -0.808 -1.240 611 HG3 ARG 78 2HG ARG 78 -4.668 0.779 -0.689 612 HD2 ARG 78 1HD ARG 78 -7.026 0.703 -0.397 613 HD3 ARG 78 2HD ARG 78 -6.709 1.745 -1.783 614 HE ARG 78 HE ARG 78 -7.122 -0.641 -2.945 615 HH11 ARG 78 2HH1 ARG 78 -8.914 1.139 -0.548 616 HH12 ARG 78 1HH1 ARG 78 -10.449 0.498 -1.032 617 HH21 ARG 78 2HH2 ARG 78 -9.138 -1.492 -3.590 618 HH22 ARG 78 1HH2 ARG 78 -10.575 -0.999 -2.761 619 H VAL 79 H VAL 79 -1.529 1.907 -3.799 620 HA VAL 79 HA VAL 79 -0.955 3.104 -1.168 621 HB VAL 79 HB VAL 79 0.951 1.745 -2.137 622 HG11 VAL 79 1HG1 VAL 79 0.384 2.780 -4.489 623 HG12 VAL 79 2HG1 VAL 79 1.511 4.030 -3.960 624 HG13 VAL 79 3HG1 VAL 79 2.038 2.350 -4.058 625 HG21 VAL 79 1HG2 VAL 79 0.931 4.315 -0.906 626 HG22 VAL 79 2HG2 VAL 79 2.110 3.015 -0.731 627 HG23 VAL 79 3HG2 VAL 79 2.310 4.221 -2.002 628 H ARG 80 H ARG 80 -0.821 5.320 -1.062 629 HA ARG 80 HA ARG 80 -1.141 6.849 -3.537 630 HB2 ARG 80 1HB ARG 80 -2.965 8.171 -2.580 631 HB3 ARG 80 2HB ARG 80 -3.408 6.474 -2.695 632 HG2 ARG 80 1HG ARG 80 -3.369 6.167 -0.415 633 HG3 ARG 80 2HG ARG 80 -2.275 7.526 -0.146 634 HD2 ARG 80 1HD ARG 80 -4.099 9.068 -0.783 635 HD3 ARG 80 2HD ARG 80 -5.180 7.684 -0.941 636 HE ARG 80 HE ARG 80 -3.906 7.885 1.631 637 HH11 ARG 80 2HH1 ARG 80 -6.620 8.868 -0.315 638 HH12 ARG 80 1HH1 ARG 80 -7.645 9.191 1.045 639 HH21 ARG 80 2HH2 ARG 80 -5.245 8.307 3.429 640 HH22 ARG 80 1HH2 ARG 80 -6.861 8.873 3.174 641 H THR 81 H THR 81 -0.309 8.920 -3.473 642 HA THR 81 HA THR 81 1.604 9.417 -1.366 643 HB THR 81 HB THR 81 1.014 11.309 -3.630 644 HG1 THR 81 1HG THR 81 2.696 10.041 -4.747 645 HG21 THR 81 1HG2 THR 81 3.287 10.773 -1.771 646 HG22 THR 81 2HG2 THR 81 2.586 12.310 -2.278 647 HG23 THR 81 3HG2 THR 81 3.629 11.411 -3.378 648 H LEU 82 H LEU 82 0.627 10.071 0.488 649 HA LEU 82 HA LEU 82 -1.601 11.810 0.609 650 HB2 LEU 82 1HB LEU 82 0.304 10.620 2.523 651 HB3 LEU 82 2HB LEU 82 -0.494 12.102 3.046 652 HG LEU 82 HG LEU 82 -2.682 10.892 2.434 653 HD11 LEU 82 1HD1 LEU 82 -2.467 8.403 2.755 654 HD12 LEU 82 2HD1 LEU 82 -0.735 8.601 2.490 655 HD13 LEU 82 3HD1 LEU 82 -1.876 9.031 1.216 656 HD21 LEU 82 1HD2 LEU 82 -2.350 9.480 4.664 657 HD22 LEU 82 2HD2 LEU 82 -2.522 11.235 4.674 658 HD23 LEU 82 3HD2 LEU 82 -0.920 10.504 4.785 659 H THR 83 H THR 83 -1.546 13.935 1.782 660 HA THR 83 HA THR 83 0.900 15.474 1.411 661 HB THR 83 HB THR 83 0.196 16.883 -0.209 662 HG1 THR 83 1HG THR 83 -2.482 16.521 0.710 663 HG21 THR 83 1HG2 THR 83 -0.222 14.483 -1.015 664 HG22 THR 83 2HG2 THR 83 -0.951 15.793 -1.944 665 HG23 THR 83 3HG2 THR 83 -1.935 14.854 -0.822 666 HA PRO 84 HA PRO 84 -0.414 17.648 4.990 667 HB2 PRO 84 1HB PRO 84 0.436 20.177 4.489 668 HB3 PRO 84 2HB PRO 84 1.541 18.850 4.865 669 HG2 PRO 84 1HG PRO 84 0.811 20.010 2.204 670 HG3 PRO 84 2HG PRO 84 2.404 19.527 2.815 671 HD2 PRO 84 1HD PRO 84 0.952 17.972 1.139 672 HD3 PRO 84 2HD PRO 84 2.035 17.295 2.373 673 H LEU 85 H LEU 85 -1.477 18.811 1.882 674 HA LEU 85 HA LEU 85 -3.826 20.022 3.183 675 HB2 LEU 85 1HB LEU 85 -2.233 21.007 0.834 676 HB3 LEU 85 2HB LEU 85 -3.887 21.538 1.135 677 HG LEU 85 HG LEU 85 -1.574 21.928 3.033 678 HD11 LEU 85 1HD1 LEU 85 -1.927 24.353 2.370 679 HD12 LEU 85 2HD1 LEU 85 -2.831 23.734 0.989 680 HD13 LEU 85 3HD1 LEU 85 -1.130 23.315 1.188 681 HD21 LEU 85 1HD2 LEU 85 -4.307 21.933 3.525 682 HD22 LEU 85 2HD2 LEU 85 -3.885 23.638 3.355 683 HD23 LEU 85 3HD2 LEU 85 -3.048 22.636 4.542 684 H GLY 86 H GLY 86 -5.097 18.190 2.918 685 HA2 GLY 86 1HA GLY 86 -6.713 16.988 1.793 686 HA3 GLY 86 2HA GLY 86 -6.342 17.927 0.355 687 HA PRO 87 HA PRO 87 -3.641 13.867 0.634 688 HB2 PRO 87 1HB PRO 87 -5.138 11.772 1.493 689 HB3 PRO 87 2HB PRO 87 -4.152 12.757 2.580 690 HG2 PRO 87 1HG PRO 87 -7.093 12.897 2.042 691 HG3 PRO 87 2HG PRO 87 -6.233 13.000 3.589 692 HD2 PRO 87 1HD PRO 87 -7.152 15.188 2.285 693 HD3 PRO 87 2HD PRO 87 -5.681 15.217 3.278 694 H GLY 88 H GLY 88 -3.488 12.715 -1.220 695 HA2 GLY 88 1HA GLY 88 -5.500 12.963 -3.200 696 HA3 GLY 88 2HA GLY 88 -4.048 11.981 -3.324 697 HA PRO 89 HA PRO 89 -7.945 9.335 -2.945 698 HB2 PRO 89 1HB PRO 89 -7.851 8.246 -5.431 699 HB3 PRO 89 2HB PRO 89 -8.718 9.743 -5.070 700 HG2 PRO 89 1HG PRO 89 -6.002 9.370 -6.271 701 HG3 PRO 89 2HG PRO 89 -7.288 10.496 -6.743 702 HD2 PRO 89 1HD PRO 89 -5.158 11.258 -5.255 703 HD3 PRO 89 2HD PRO 89 -6.764 11.992 -5.070 704 H PHE 90 H PHE 90 -7.931 6.870 -3.867 705 HA PHE 90 HA PHE 90 -5.351 5.760 -2.984 706 HB2 PHE 90 1HB PHE 90 -8.173 4.964 -2.503 707 HB3 PHE 90 2HB PHE 90 -6.999 3.665 -2.688 708 HD1 PHE 90 2HD PHE 90 -4.886 3.798 -1.219 709 HD2 PHE 90 1HD PHE 90 -8.448 5.998 -0.453 710 HE1 PHE 90 2HE PHE 90 -4.204 4.079 1.128 711 HE2 PHE 90 1HE PHE 90 -7.771 6.284 1.895 712 HZ PHE 90 HZ PHE 90 -5.647 5.323 2.689 713 H SER 91 H SER 91 -4.226 4.502 -4.331 714 HA SER 91 HA SER 91 -4.631 4.361 -7.027 715 HB2 SER 91 1HB SER 91 -2.831 2.925 -7.111 716 HB3 SER 91 2HB SER 91 -2.636 3.550 -5.473 717 HG SER 91 HG SER 91 -3.880 1.112 -6.228 718 HA PRO 92 HA PRO 92 -7.835 1.492 -7.896 719 HB2 PRO 92 1HB PRO 92 -6.936 0.357 -10.192 720 HB3 PRO 92 2HB PRO 92 -7.544 2.015 -10.114 721 HG2 PRO 92 1HG PRO 92 -4.716 1.033 -10.110 722 HG3 PRO 92 2HG PRO 92 -5.424 2.402 -10.987 723 HD2 PRO 92 1HD PRO 92 -4.006 2.713 -8.701 724 HD3 PRO 92 2HD PRO 92 -5.352 3.783 -9.143 725 H ASP 93 H ASP 93 -8.390 -0.509 -7.263 726 HA ASP 93 HA ASP 93 -6.879 -2.211 -5.828 727 HB2 ASP 93 1HB ASP 93 -8.454 -3.998 -6.366 728 HB3 ASP 93 2HB ASP 93 -9.309 -2.472 -6.157 729 H HIS 94 H HIS 94 -5.001 -3.163 -6.207 730 HA HIS 94 HA HIS 94 -4.328 -3.962 -8.949 731 HB2 HIS 94 1HB HIS 94 -2.693 -3.274 -6.531 732 HB3 HIS 94 2HB HIS 94 -1.991 -4.252 -7.816 733 HD1 HIS 94 1HD HIS 94 -3.385 -0.812 -7.174 734 HD2 HIS 94 2HD HIS 94 -1.237 -2.864 -10.078 735 HE1 HIS 94 1HE HIS 94 -2.595 0.944 -8.792 736 HE2 HIS 94 2HE HIS 94 -1.370 -0.332 -10.585 737 H GLU 95 H GLU 95 -4.913 -5.993 -9.373 738 HA GLU 95 HA GLU 95 -5.130 -8.009 -7.363 739 HB2 GLU 95 1HB GLU 95 -6.337 -7.728 -9.705 740 HB3 GLU 95 2HB GLU 95 -4.988 -8.709 -10.260 741 HG2 GLU 95 1HG GLU 95 -5.646 -10.274 -8.305 742 HG3 GLU 95 2HG GLU 95 -7.185 -9.418 -8.369 743 H PHE 96 H PHE 96 -3.314 -8.689 -6.398 744 HA PHE 96 HA PHE 96 -1.023 -9.404 -8.104 745 HB2 PHE 96 1HB PHE 96 -1.136 -8.562 -5.206 746 HB3 PHE 96 2HB PHE 96 0.305 -9.242 -5.956 747 HD1 PHE 96 1HD PHE 96 0.897 -8.037 -8.293 748 HD2 PHE 96 2HD PHE 96 -1.224 -6.285 -5.046 749 HE1 PHE 96 1HE PHE 96 1.542 -5.798 -9.085 750 HE2 PHE 96 2HE PHE 96 -0.584 -4.044 -5.833 751 HZ PHE 96 HZ PHE 96 0.800 -3.798 -7.855 752 H ARG 97 H ARG 97 -0.048 -11.400 -7.878 753 HA ARG 97 HA ARG 97 -1.455 -13.335 -6.157 754 HB2 ARG 97 1HB ARG 97 -1.768 -13.431 -8.760 755 HB3 ARG 97 2HB ARG 97 -0.173 -14.170 -8.730 756 HG2 ARG 97 1HG ARG 97 -0.914 -16.051 -7.625 757 HG3 ARG 97 2HG ARG 97 -2.325 -15.228 -6.957 758 HD2 ARG 97 1HD ARG 97 -3.277 -15.103 -9.240 759 HD3 ARG 97 2HD ARG 97 -1.899 -16.030 -9.832 760 HE ARG 97 HE ARG 97 -3.003 -17.525 -7.796 761 HH11 ARG 97 2HH1 ARG 97 -4.041 -16.253 -10.866 762 HH12 ARG 97 1HH1 ARG 97 -5.169 -17.534 -11.163 763 HH21 ARG 97 2HH2 ARG 97 -4.484 -19.218 -8.176 764 HH22 ARG 97 1HH2 ARG 97 -5.421 -19.220 -9.632 765 H THR 98 H THR 98 -0.228 -14.789 -5.036 766 HA THR 98 HA THR 98 2.639 -14.233 -4.946 767 HB THR 98 HB THR 98 2.560 -15.710 -2.886 768 HG1 THR 98 1HG THR 98 0.636 -16.407 -2.169 769 HG21 THR 98 1HG2 THR 98 1.017 -13.139 -3.095 770 HG22 THR 98 2HG2 THR 98 2.651 -13.400 -2.482 771 HG23 THR 98 3HG2 THR 98 1.260 -13.949 -1.548 772 H SER 99 H SER 99 4.218 -15.782 -5.234 773 HA SER 99 HA SER 99 3.939 -17.678 -7.181 774 HB2 SER 99 1HB SER 99 6.073 -16.788 -5.989 775 HB3 SER 99 2HB SER 99 5.848 -18.166 -4.911 776 HG SER 99 HG SER 99 6.603 -18.096 -7.581 777 HA PRO 100 HA PRO 100 1.652 -21.016 -5.447 778 HB2 PRO 100 1HB PRO 100 2.461 -22.995 -7.120 779 HB3 PRO 100 2HB PRO 100 1.338 -21.723 -7.611 780 HG2 PRO 100 1HG PRO 100 4.282 -21.944 -8.104 781 HG3 PRO 100 2HG PRO 100 2.996 -21.442 -9.217 782 HD2 PRO 100 1HD PRO 100 4.603 -19.668 -7.951 783 HD3 PRO 100 2HD PRO 100 2.913 -19.306 -8.355 784 HA PRO 101 HA PRO 101 4.288 -23.172 -2.652 785 HB2 PRO 101 1HB PRO 101 2.732 -25.327 -2.102 786 HB3 PRO 101 2HB PRO 101 2.383 -23.707 -1.485 787 HG2 PRO 101 1HG PRO 101 1.192 -25.138 -3.829 788 HG3 PRO 101 2HG PRO 101 0.387 -24.159 -2.589 789 HD2 PRO 101 1HD PRO 101 0.967 -23.200 -5.054 790 HD3 PRO 101 2HD PRO 101 0.962 -22.172 -3.606 791 H SER 102 H SER 102 5.565 -25.079 -2.406 792 HA SER 102 HA SER 102 6.528 -26.150 -4.829 793 HB2 SER 102 1HB SER 102 7.034 -26.668 -1.931 794 HB3 SER 102 2HB SER 102 7.611 -27.852 -3.104 795 HG SER 102 HG SER 102 8.226 -25.081 -3.039 796 H GLY 103 H GLY 103 6.612 -28.433 -5.435 797 HA2 GLY 103 1HA GLY 103 5.613 -30.434 -5.952 798 HA3 GLY 103 2HA GLY 103 4.896 -30.383 -4.348 799 HA PRO 104 HA PRO 104 1.897 -29.103 -7.946 800 HB2 PRO 104 1HB PRO 104 1.343 -31.439 -9.214 801 HB3 PRO 104 2HB PRO 104 2.615 -30.334 -9.749 802 HG2 PRO 104 1HG PRO 104 2.840 -32.834 -8.118 803 HG3 PRO 104 2HG PRO 104 3.861 -32.275 -9.456 804 HD2 PRO 104 1HD PRO 104 4.582 -32.003 -6.860 805 HD3 PRO 104 2HD PRO 104 5.052 -30.833 -8.109 806 H SER 105 H SER 105 0.005 -28.880 -6.949 807 HA SER 105 HA SER 105 -0.914 -30.678 -4.947 808 HB2 SER 105 1HB SER 105 -1.421 -28.268 -4.883 809 HB3 SER 105 2HB SER 105 -2.395 -28.434 -6.343 810 HG SER 105 HG SER 105 -3.802 -29.776 -5.194 811 H SER 106 H SER 106 -2.965 -31.814 -4.953 812 HA SER 106 HA SER 106 -3.852 -32.653 -7.629 813 HB2 SER 106 1HB SER 106 -4.032 -34.981 -6.801 814 HB3 SER 106 2HB SER 106 -2.369 -34.394 -6.771 815 HG SER 106 HG SER 106 -3.217 -33.758 -4.453 816 H GLY 107 H GLY 107 -5.824 -31.731 -7.696 817 HA2 GLY 107 1HA GLY 107 -8.044 -32.808 -6.539 818 HA3 GLY 107 2HA GLY 107 -7.531 -31.589 -5.383 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.204 -8.058 -21.117 2 HA2 GLY 1 1HA GLY 1 -5.035 -5.769 -21.243 3 HA3 GLY 1 2HA GLY 1 -5.374 -7.163 -22.258 4 H SER 2 H SER 2 -4.837 -6.213 -18.882 5 HA SER 2 HA SER 2 -6.211 -8.599 -17.946 6 HB2 SER 2 1HB SER 2 -4.176 -7.763 -16.778 7 HB3 SER 2 2HB SER 2 -5.062 -6.301 -16.344 8 HG SER 2 HG SER 2 -6.406 -7.498 -15.064 9 H SER 3 H SER 3 -6.561 -5.079 -17.480 10 HA SER 3 HA SER 3 -9.250 -5.399 -16.484 11 HB2 SER 3 1HB SER 3 -9.234 -2.968 -16.241 12 HB3 SER 3 2HB SER 3 -7.743 -3.648 -15.590 13 HG SER 3 HG SER 3 -7.835 -1.733 -17.250 14 H GLY 4 H GLY 4 -10.963 -3.846 -17.432 15 HA2 GLY 4 1HA GLY 4 -10.866 -4.026 -20.380 16 HA3 GLY 4 2HA GLY 4 -12.307 -4.436 -19.462 17 H SER 5 H SER 5 -12.635 -2.455 -17.712 18 HA SER 5 HA SER 5 -13.316 -0.224 -19.436 19 HB2 SER 5 1HB SER 5 -13.896 -0.665 -16.496 20 HB3 SER 5 2HB SER 5 -14.585 0.607 -17.505 21 HG SER 5 HG SER 5 -15.399 -1.930 -17.207 22 H SER 6 H SER 6 -12.308 1.687 -19.506 23 HA SER 6 HA SER 6 -10.134 2.157 -17.574 24 HB2 SER 6 1HB SER 6 -10.396 2.869 -20.491 25 HB3 SER 6 2HB SER 6 -9.231 3.676 -19.442 26 HG SER 6 HG SER 6 -9.335 0.869 -19.521 27 H GLY 7 H GLY 7 -9.600 4.537 -17.306 28 HA2 GLY 7 1HA GLY 7 -11.790 6.388 -17.688 29 HA3 GLY 7 2HA GLY 7 -11.531 5.916 -16.015 30 H ALA 8 H ALA 8 -11.313 8.515 -16.518 31 HA ALA 8 HA ALA 8 -9.020 9.658 -17.448 32 HB1 ALA 8 1HB ALA 8 -10.964 10.355 -15.350 33 HB2 ALA 8 2HB ALA 8 -9.408 11.180 -15.255 34 HB3 ALA 8 3HB ALA 8 -10.381 11.299 -16.721 35 H GLU 9 H GLU 9 -7.058 10.386 -16.425 36 HA GLU 9 HA GLU 9 -5.888 8.322 -14.769 37 HB2 GLU 9 1HB GLU 9 -4.706 10.822 -15.989 38 HB3 GLU 9 2HB GLU 9 -3.786 9.621 -15.093 39 HG2 GLU 9 1HG GLU 9 -5.130 9.339 -17.756 40 HG3 GLU 9 2HG GLU 9 -3.429 9.124 -17.350 41 H SER 10 H SER 10 -7.891 9.704 -13.417 42 HA SER 10 HA SER 10 -7.380 11.879 -11.910 43 HB2 SER 10 1HB SER 10 -8.692 10.850 -10.092 44 HB3 SER 10 2HB SER 10 -9.422 10.542 -11.668 45 HG SER 10 HG SER 10 -8.708 8.772 -9.858 46 H LEU 11 H LEU 11 -6.269 8.602 -11.056 47 HA LEU 11 HA LEU 11 -4.892 9.149 -8.749 48 HB2 LEU 11 1HB LEU 11 -5.212 6.903 -9.663 49 HB3 LEU 11 2HB LEU 11 -4.062 7.261 -10.950 50 HG LEU 11 HG LEU 11 -2.305 7.534 -9.182 51 HD11 LEU 11 1HD1 LEU 11 -4.623 6.774 -7.477 52 HD12 LEU 11 2HD1 LEU 11 -3.321 7.923 -7.170 53 HD13 LEU 11 3HD1 LEU 11 -3.017 6.191 -7.040 54 HD21 LEU 11 1HD2 LEU 11 -1.814 5.264 -9.126 55 HD22 LEU 11 2HD2 LEU 11 -2.856 5.413 -10.542 56 HD23 LEU 11 3HD2 LEU 11 -3.512 4.797 -9.025 57 H SER 12 H SER 12 -2.787 9.746 -8.222 58 HA SER 12 HA SER 12 -1.521 11.499 -10.167 59 HB2 SER 12 1HB SER 12 -1.957 12.044 -7.668 60 HB3 SER 12 2HB SER 12 -0.533 11.051 -7.362 61 HG SER 12 HG SER 12 -0.088 12.817 -9.363 62 H GLY 13 H GLY 13 -0.893 9.598 -11.498 63 HA2 GLY 13 1HA GLY 13 0.567 7.904 -12.118 64 HA3 GLY 13 2HA GLY 13 1.746 9.110 -11.625 65 H LEU 14 H LEU 14 -0.337 6.577 -10.242 66 HA LEU 14 HA LEU 14 1.928 5.768 -8.556 67 HB2 LEU 14 1HB LEU 14 -0.868 6.405 -7.716 68 HB3 LEU 14 2HB LEU 14 0.061 5.197 -6.831 69 HG LEU 14 HG LEU 14 0.862 8.082 -7.210 70 HD11 LEU 14 1HD1 LEU 14 -1.151 7.330 -5.659 71 HD12 LEU 14 2HD1 LEU 14 -0.005 8.576 -5.167 72 HD13 LEU 14 3HD1 LEU 14 0.174 6.928 -4.565 73 HD21 LEU 14 1HD2 LEU 14 2.136 5.741 -5.839 74 HD22 LEU 14 2HD2 LEU 14 2.450 7.393 -5.305 75 HD23 LEU 14 3HD2 LEU 14 2.854 6.906 -6.952 76 H SER 15 H SER 15 1.755 4.384 -10.697 77 HA SER 15 HA SER 15 -0.141 2.193 -10.446 78 HB2 SER 15 1HB SER 15 0.835 1.409 -12.579 79 HB3 SER 15 2HB SER 15 0.299 3.086 -12.680 80 HG SER 15 HG SER 15 2.927 2.696 -11.896 81 H LEU 16 H LEU 16 0.499 1.075 -8.623 82 HA LEU 16 HA LEU 16 2.998 0.415 -7.748 83 HB2 LEU 16 1HB LEU 16 0.613 -1.427 -7.740 84 HB3 LEU 16 2HB LEU 16 2.014 -1.531 -6.676 85 HG LEU 16 HG LEU 16 0.351 0.949 -6.657 86 HD11 LEU 16 1HD1 LEU 16 -0.429 -1.090 -4.707 87 HD12 LEU 16 2HD1 LEU 16 -0.894 -1.454 -6.368 88 HD13 LEU 16 3HD1 LEU 16 -1.417 0.053 -5.617 89 HD21 LEU 16 1HD2 LEU 16 0.989 0.705 -4.189 90 HD22 LEU 16 2HD2 LEU 16 2.267 1.122 -5.331 91 HD23 LEU 16 3HD2 LEU 16 2.118 -0.533 -4.738 92 H LYS 17 H LYS 17 4.134 -1.704 -7.824 93 HA LYS 17 HA LYS 17 3.829 -3.164 -10.334 94 HB2 LYS 17 1HB LYS 17 5.901 -2.700 -11.198 95 HB3 LYS 17 2HB LYS 17 5.563 -1.166 -10.406 96 HG2 LYS 17 1HG LYS 17 7.654 -1.503 -9.615 97 HG3 LYS 17 2HG LYS 17 6.764 -2.394 -8.378 98 HD2 LYS 17 1HD LYS 17 8.312 -3.977 -8.922 99 HD3 LYS 17 2HD LYS 17 7.077 -4.374 -10.118 100 HE2 LYS 17 1HE LYS 17 9.339 -2.471 -10.677 101 HE3 LYS 17 2HE LYS 17 9.461 -4.206 -10.963 102 HZ1 LYS 17 1HZ LYS 17 7.509 -2.350 -12.214 103 HZ2 LYS 17 2HZ LYS 17 7.524 -4.027 -12.438 104 HZ3 LYS 17 3HZ LYS 17 8.825 -3.090 -12.978 105 H LEU 18 H LEU 18 4.969 -5.200 -10.363 106 HA LEU 18 HA LEU 18 5.379 -6.253 -7.650 107 HB2 LEU 18 1HB LEU 18 3.608 -7.324 -8.931 108 HB3 LEU 18 2HB LEU 18 4.745 -7.680 -10.230 109 HG LEU 18 HG LEU 18 5.962 -9.200 -8.738 110 HD11 LEU 18 1HD1 LEU 18 4.077 -8.077 -6.758 111 HD12 LEU 18 2HD1 LEU 18 5.742 -8.626 -6.561 112 HD13 LEU 18 3HD1 LEU 18 4.429 -9.801 -6.635 113 HD21 LEU 18 1HD2 LEU 18 3.757 -9.744 -10.106 114 HD22 LEU 18 2HD2 LEU 18 3.141 -10.090 -8.490 115 HD23 LEU 18 3HD2 LEU 18 4.554 -10.953 -9.099 116 H VAL 19 H VAL 19 7.510 -5.905 -7.236 117 HA VAL 19 HA VAL 19 9.588 -6.231 -9.137 118 HB VAL 19 HB VAL 19 10.919 -6.490 -6.809 119 HG11 VAL 19 1HG1 VAL 19 10.264 -4.401 -8.624 120 HG12 VAL 19 2HG1 VAL 19 10.247 -3.743 -6.986 121 HG13 VAL 19 3HG1 VAL 19 11.686 -4.562 -7.594 122 HG21 VAL 19 1HG2 VAL 19 8.506 -6.466 -5.757 123 HG22 VAL 19 2HG2 VAL 19 9.850 -5.640 -4.968 124 HG23 VAL 19 3HG2 VAL 19 8.691 -4.720 -5.929 125 H LYS 20 H LYS 20 9.212 -8.104 -6.135 126 HA LYS 20 HA LYS 20 9.729 -10.561 -7.657 127 HB2 LYS 20 1HB LYS 20 11.835 -9.672 -6.583 128 HB3 LYS 20 2HB LYS 20 11.068 -9.938 -5.023 129 HG2 LYS 20 1HG LYS 20 12.362 -11.834 -5.314 130 HG3 LYS 20 2HG LYS 20 10.756 -12.361 -5.825 131 HD2 LYS 20 1HD LYS 20 11.605 -11.584 -8.187 132 HD3 LYS 20 2HD LYS 20 13.194 -11.825 -7.459 133 HE2 LYS 20 1HE LYS 20 12.866 -14.099 -7.184 134 HE3 LYS 20 2HE LYS 20 11.110 -13.953 -7.218 135 HZ1 LYS 20 1HZ LYS 20 11.882 -14.953 -9.244 136 HZ2 LYS 20 2HZ LYS 20 12.946 -13.671 -9.535 137 HZ3 LYS 20 3HZ LYS 20 11.275 -13.413 -9.595 138 H LYS 21 H LYS 21 7.735 -11.442 -7.428 139 HA LYS 21 HA LYS 21 6.237 -11.334 -5.003 140 HB2 LYS 21 1HB LYS 21 4.558 -12.388 -6.165 141 HB3 LYS 21 2HB LYS 21 5.472 -11.701 -7.501 142 HG2 LYS 21 1HG LYS 21 6.509 -13.800 -7.964 143 HG3 LYS 21 2HG LYS 21 5.833 -14.515 -6.498 144 HD2 LYS 21 1HD LYS 21 4.323 -15.299 -8.016 145 HD3 LYS 21 2HD LYS 21 3.557 -13.756 -7.631 146 HE2 LYS 21 1HE LYS 21 5.015 -12.859 -9.595 147 HE3 LYS 21 2HE LYS 21 5.101 -14.556 -10.064 148 HZ1 LYS 21 1HZ LYS 21 3.073 -12.784 -10.631 149 HZ2 LYS 21 2HZ LYS 21 2.433 -13.808 -9.448 150 HZ3 LYS 21 3HZ LYS 21 3.057 -14.457 -10.880 151 H GLU 22 H GLU 22 6.026 -12.809 -3.390 152 HA GLU 22 HA GLU 22 7.546 -15.315 -3.612 153 HB2 GLU 22 1HB GLU 22 7.559 -13.448 -1.233 154 HB3 GLU 22 2HB GLU 22 8.308 -15.038 -1.280 155 HG2 GLU 22 1HG GLU 22 9.080 -12.988 -3.301 156 HG3 GLU 22 2HG GLU 22 9.733 -12.898 -1.667 157 HA PRO 23 HA PRO 23 3.978 -17.286 -1.984 158 HB2 PRO 23 1HB PRO 23 5.096 -19.353 -0.624 159 HB3 PRO 23 2HB PRO 23 5.044 -19.281 -2.390 160 HG2 PRO 23 1HG PRO 23 7.293 -18.607 -0.532 161 HG3 PRO 23 2HG PRO 23 7.335 -19.505 -2.060 162 HD2 PRO 23 1HD PRO 23 8.057 -16.901 -1.879 163 HD3 PRO 23 2HD PRO 23 7.303 -17.584 -3.334 164 H ARG 24 H ARG 24 6.373 -15.971 0.092 165 HA ARG 24 HA ARG 24 4.438 -15.962 2.307 166 HB2 ARG 24 1HB ARG 24 7.405 -16.502 2.481 167 HB3 ARG 24 2HB ARG 24 6.400 -16.123 3.874 168 HG2 ARG 24 1HG ARG 24 5.073 -18.114 3.496 169 HG3 ARG 24 2HG ARG 24 6.004 -18.479 2.042 170 HD2 ARG 24 1HD ARG 24 7.944 -18.959 3.273 171 HD3 ARG 24 2HD ARG 24 7.315 -18.180 4.725 172 HE ARG 24 HE ARG 24 5.711 -20.397 3.934 173 HH11 ARG 24 2HH1 ARG 24 8.674 -19.524 5.541 174 HH12 ARG 24 1HH1 ARG 24 8.720 -20.955 6.516 175 HH21 ARG 24 2HH2 ARG 24 5.761 -22.286 5.212 176 HH22 ARG 24 1HH2 ARG 24 7.063 -22.526 6.327 177 H GLN 25 H GLN 25 6.339 -14.220 0.199 178 HA GLN 25 HA GLN 25 6.003 -11.800 1.815 179 HB2 GLN 25 1HB GLN 25 8.404 -12.799 1.863 180 HB3 GLN 25 2HB GLN 25 8.516 -12.182 0.220 181 HG2 GLN 25 1HG GLN 25 8.202 -9.946 0.946 182 HG3 GLN 25 2HG GLN 25 7.766 -10.470 2.571 183 HE21 GLN 25 1HE2 GLN 25 10.413 -10.505 0.232 184 HE22 GLN 25 2HE2 GLN 25 11.683 -10.433 1.401 185 H LEU 26 H LEU 26 6.372 -9.798 0.445 186 HA LEU 26 HA LEU 26 6.078 -10.051 -2.395 187 HB2 LEU 26 1HB LEU 26 3.724 -9.667 -0.655 188 HB3 LEU 26 2HB LEU 26 3.829 -8.610 -2.061 189 HG LEU 26 HG LEU 26 3.831 -11.628 -2.131 190 HD11 LEU 26 1HD1 LEU 26 1.686 -9.601 -2.731 191 HD12 LEU 26 2HD1 LEU 26 1.661 -10.862 -1.498 192 HD13 LEU 26 3HD1 LEU 26 1.605 -11.298 -3.206 193 HD21 LEU 26 1HD2 LEU 26 4.331 -11.529 -4.305 194 HD22 LEU 26 2HD2 LEU 26 4.890 -9.889 -3.977 195 HD23 LEU 26 3HD2 LEU 26 3.255 -10.160 -4.581 196 H GLU 27 H GLU 27 7.360 -8.467 -3.059 197 HA GLU 27 HA GLU 27 7.409 -5.947 -1.551 198 HB2 GLU 27 1HB GLU 27 9.566 -7.117 -1.835 199 HB3 GLU 27 2HB GLU 27 9.384 -7.005 -3.580 200 HG2 GLU 27 1HG GLU 27 9.272 -4.487 -3.245 201 HG3 GLU 27 2HG GLU 27 9.853 -4.796 -1.610 202 H LEU 28 H LEU 28 7.301 -3.946 -2.639 203 HA LEU 28 HA LEU 28 6.587 -3.932 -5.456 204 HB2 LEU 28 1HB LEU 28 4.738 -2.566 -3.538 205 HB3 LEU 28 2HB LEU 28 4.472 -2.979 -5.231 206 HG LEU 28 HG LEU 28 4.728 -5.104 -3.125 207 HD11 LEU 28 1HD1 LEU 28 2.099 -3.975 -4.022 208 HD12 LEU 28 2HD1 LEU 28 2.932 -3.363 -2.594 209 HD13 LEU 28 3HD1 LEU 28 2.438 -5.054 -2.669 210 HD21 LEU 28 1HD2 LEU 28 3.097 -5.177 -5.635 211 HD22 LEU 28 2HD2 LEU 28 3.767 -6.514 -4.700 212 HD23 LEU 28 3HD2 LEU 28 4.831 -5.499 -5.674 213 H THR 29 H THR 29 6.613 -1.810 -6.396 214 HA THR 29 HA THR 29 7.575 0.389 -4.758 215 HB THR 29 HB THR 29 9.684 -0.604 -5.263 216 HG1 THR 29 1HG THR 29 10.071 1.480 -5.597 217 HG21 THR 29 1HG2 THR 29 9.037 -2.096 -7.057 218 HG22 THR 29 2HG2 THR 29 10.381 -1.087 -7.593 219 HG23 THR 29 3HG2 THR 29 8.739 -0.728 -8.128 220 H TRP 30 H TRP 30 6.751 2.258 -5.452 221 HA TRP 30 HA TRP 30 5.744 2.385 -8.220 222 HB2 TRP 30 1HB TRP 30 4.057 4.048 -7.254 223 HB3 TRP 30 2HB TRP 30 3.819 2.349 -6.853 224 HD1 TRP 30 HD TRP 30 4.678 5.705 -5.280 225 HE1 TRP 30 1HE TRP 30 4.608 5.469 -2.718 226 HE3 TRP 30 3HE TRP 30 4.184 0.627 -4.945 227 HZ2 TRP 30 2HZ TRP 30 4.375 3.404 -0.808 228 HZ3 TRP 30 3HZ TRP 30 4.045 -0.399 -2.713 229 HH2 TRP 30 HH TRP 30 4.140 0.962 -0.689 230 H ALA 31 H ALA 31 7.195 3.578 -9.297 231 HA ALA 31 HA ALA 31 7.970 6.170 -8.125 232 HB1 ALA 31 1HB ALA 31 9.742 4.235 -8.488 233 HB2 ALA 31 2HB ALA 31 9.748 4.888 -10.127 234 HB3 ALA 31 3HB ALA 31 10.144 5.931 -8.760 235 H GLY 32 H GLY 32 7.437 4.382 -11.150 236 HA2 GLY 32 1HA GLY 32 6.281 5.110 -13.034 237 HA3 GLY 32 2HA GLY 32 6.137 6.700 -12.299 238 H SER 33 H SER 33 6.636 7.408 -14.519 239 HA SER 33 HA SER 33 9.551 7.487 -14.942 240 HB2 SER 33 1HB SER 33 9.063 7.623 -17.398 241 HB3 SER 33 2HB SER 33 8.621 6.079 -16.669 242 HG SER 33 HG SER 33 6.478 7.435 -16.421 243 H ARG 34 H ARG 34 9.510 9.456 -13.706 244 HA ARG 34 HA ARG 34 9.261 11.770 -15.348 245 HB2 ARG 34 1HB ARG 34 6.881 11.384 -14.655 246 HB3 ARG 34 2HB ARG 34 7.384 11.622 -12.987 247 HG2 ARG 34 1HG ARG 34 6.780 13.745 -13.368 248 HG3 ARG 34 2HG ARG 34 8.370 13.864 -14.124 249 HD2 ARG 34 1HD ARG 34 5.916 13.052 -15.657 250 HD3 ARG 34 2HD ARG 34 6.381 14.740 -15.453 251 HE ARG 34 HE ARG 34 8.437 12.998 -16.512 252 HH11 ARG 34 2HH1 ARG 34 5.846 15.219 -17.203 253 HH12 ARG 34 1HH1 ARG 34 6.415 15.592 -18.796 254 HH21 ARG 34 2HH2 ARG 34 9.197 13.481 -18.608 255 HH22 ARG 34 1HH2 ARG 34 8.321 14.602 -19.595 256 HA PRO 35 HA PRO 35 12.486 12.786 -12.486 257 HB2 PRO 35 1HB PRO 35 12.981 15.285 -13.424 258 HB3 PRO 35 2HB PRO 35 13.512 13.822 -14.261 259 HG2 PRO 35 1HG PRO 35 11.129 15.553 -14.798 260 HG3 PRO 35 2HG PRO 35 12.265 14.825 -15.949 261 HD2 PRO 35 1HD PRO 35 9.824 13.767 -15.444 262 HD3 PRO 35 2HD PRO 35 11.231 12.767 -15.861 263 H ARG 36 H ARG 36 11.724 13.058 -10.451 264 HA ARG 36 HA ARG 36 10.072 15.411 -9.865 265 HB2 ARG 36 1HB ARG 36 10.651 12.957 -8.197 266 HB3 ARG 36 2HB ARG 36 9.613 14.290 -7.708 267 HG2 ARG 36 1HG ARG 36 8.295 13.762 -9.858 268 HG3 ARG 36 2HG ARG 36 9.154 12.221 -9.816 269 HD2 ARG 36 1HD ARG 36 7.755 13.218 -7.371 270 HD3 ARG 36 2HD ARG 36 6.828 12.455 -8.661 271 HE ARG 36 HE ARG 36 9.126 10.962 -7.726 272 HH11 ARG 36 2HH1 ARG 36 5.701 11.527 -7.459 273 HH12 ARG 36 1HH1 ARG 36 5.369 9.982 -6.748 274 HH21 ARG 36 2HH2 ARG 36 8.702 8.925 -6.791 275 HH22 ARG 36 1HH2 ARG 36 7.077 8.503 -6.368 276 H ASN 37 H ASN 37 10.542 16.660 -7.929 277 HA ASN 37 HA ASN 37 13.216 17.521 -7.826 278 HB2 ASN 37 1HB ASN 37 12.361 18.672 -5.645 279 HB3 ASN 37 2HB ASN 37 11.687 19.158 -7.198 280 HD21 ASN 37 1HD2 ASN 37 9.565 19.188 -7.371 281 HD22 ASN 37 2HD2 ASN 37 8.451 18.386 -6.321 282 HA PRO 38 HA PRO 38 15.151 14.808 -4.965 283 HB2 PRO 38 1HB PRO 38 16.944 16.490 -3.812 284 HB3 PRO 38 2HB PRO 38 17.115 15.890 -5.466 285 HG2 PRO 38 1HG PRO 38 16.063 18.523 -4.506 286 HG3 PRO 38 2HG PRO 38 17.156 18.181 -5.860 287 HD2 PRO 38 1HD PRO 38 14.514 18.662 -6.207 288 HD3 PRO 38 2HD PRO 38 15.432 17.568 -7.262 289 H GLY 39 H GLY 39 13.044 17.172 -4.023 290 HA2 GLY 39 1HA GLY 39 13.272 16.357 -1.193 291 HA3 GLY 39 2HA GLY 39 12.938 18.023 -1.643 292 H GLY 40 H GLY 40 11.042 17.694 -0.239 293 HA2 GLY 40 1HA GLY 40 8.649 17.862 -1.083 294 HA3 GLY 40 2HA GLY 40 8.894 16.202 -1.606 295 H ASN 41 H ASN 41 10.222 15.113 0.534 296 HA ASN 41 HA ASN 41 9.761 14.032 2.485 297 HB2 ASN 41 1HB ASN 41 8.830 16.801 3.278 298 HB3 ASN 41 2HB ASN 41 9.175 15.487 4.398 299 HD21 ASN 41 1HD2 ASN 41 11.377 14.624 4.372 300 HD22 ASN 41 2HD2 ASN 41 12.684 15.709 4.058 301 H LEU 42 H LEU 42 7.791 13.683 0.570 302 HA LEU 42 HA LEU 42 5.223 14.017 1.904 303 HB2 LEU 42 1HB LEU 42 6.117 13.272 -0.833 304 HB3 LEU 42 2HB LEU 42 4.535 12.715 -0.291 305 HG LEU 42 HG LEU 42 5.199 15.611 -0.044 306 HD11 LEU 42 1HD1 LEU 42 5.792 15.558 -2.241 307 HD12 LEU 42 2HD1 LEU 42 4.042 15.668 -2.423 308 HD13 LEU 42 3HD1 LEU 42 4.847 14.107 -2.579 309 HD21 LEU 42 1HD2 LEU 42 2.784 13.885 -0.257 310 HD22 LEU 42 2HD2 LEU 42 2.691 15.544 -0.848 311 HD23 LEU 42 3HD2 LEU 42 3.121 15.230 0.833 312 H SER 43 H SER 43 3.852 12.296 2.443 313 HA SER 43 HA SER 43 5.270 9.778 2.962 314 HB2 SER 43 1HB SER 43 2.735 10.880 4.199 315 HB3 SER 43 2HB SER 43 3.502 9.355 4.638 316 HG SER 43 HG SER 43 4.988 11.737 4.718 317 H TYR 44 H TYR 44 3.718 7.821 3.018 318 HA TYR 44 HA TYR 44 1.725 7.931 0.883 319 HB2 TYR 44 1HB TYR 44 3.903 5.838 0.908 320 HB3 TYR 44 2HB TYR 44 2.658 6.066 -0.315 321 HD1 TYR 44 2HD TYR 44 2.698 8.258 -1.646 322 HD2 TYR 44 1HD TYR 44 5.979 6.893 0.695 323 HE1 TYR 44 2HE TYR 44 4.208 9.726 -2.917 324 HE2 TYR 44 1HE TYR 44 7.498 8.358 -0.569 325 HH TYR 44 HH TYR 44 7.157 10.617 -1.941 326 H GLU 45 H GLU 45 -0.017 6.702 1.285 327 HA GLU 45 HA GLU 45 0.039 5.039 3.697 328 HB2 GLU 45 1HB GLU 45 -1.661 6.824 3.568 329 HB3 GLU 45 2HB GLU 45 -2.320 6.080 2.118 330 HG2 GLU 45 1HG GLU 45 -3.713 5.453 3.921 331 HG3 GLU 45 2HG GLU 45 -2.772 4.031 3.475 332 H LEU 46 H LEU 46 0.163 2.911 3.509 333 HA LEU 46 HA LEU 46 -0.603 1.671 0.955 334 HB2 LEU 46 1HB LEU 46 1.762 1.490 2.108 335 HB3 LEU 46 2HB LEU 46 0.961 0.222 3.033 336 HG LEU 46 HG LEU 46 2.237 -0.653 1.121 337 HD11 LEU 46 1HD1 LEU 46 0.650 -2.224 0.476 338 HD12 LEU 46 2HD1 LEU 46 -0.673 -1.060 0.539 339 HD13 LEU 46 3HD1 LEU 46 0.050 -1.654 2.034 340 HD21 LEU 46 1HD2 LEU 46 2.197 0.373 -0.843 341 HD22 LEU 46 2HD2 LEU 46 0.988 1.507 -0.239 342 HD23 LEU 46 3HD2 LEU 46 0.480 0.001 -1.005 343 H HIS 47 H HIS 47 -2.166 0.158 0.863 344 HA HIS 47 HA HIS 47 -3.220 -0.938 3.373 345 HB2 HIS 47 1HB HIS 47 -4.618 1.004 2.685 346 HB3 HIS 47 2HB HIS 47 -4.955 0.185 1.163 347 HD1 HIS 47 1HD HIS 47 -7.501 0.289 1.876 348 HD2 HIS 47 2HD HIS 47 -5.080 -2.103 4.258 349 HE1 HIS 47 1HE HIS 47 -9.077 -1.149 3.206 350 HE2 HIS 47 2HE HIS 47 -7.592 -2.527 4.702 351 H VAL 48 H VAL 48 -3.210 -3.075 3.262 352 HA VAL 48 HA VAL 48 -3.510 -4.353 0.623 353 HB VAL 48 HB VAL 48 -2.056 -5.375 3.066 354 HG11 VAL 48 1HG1 VAL 48 -1.510 -6.875 0.706 355 HG12 VAL 48 2HG1 VAL 48 -2.209 -7.425 2.230 356 HG13 VAL 48 3HG1 VAL 48 -3.255 -6.813 0.948 357 HG21 VAL 48 1HG2 VAL 48 -0.396 -4.125 2.241 358 HG22 VAL 48 2HG2 VAL 48 -0.294 -5.329 0.956 359 HG23 VAL 48 3HG2 VAL 48 -1.237 -3.858 0.714 360 H LEU 49 H LEU 49 -5.141 -5.742 0.317 361 HA LEU 49 HA LEU 49 -6.682 -6.602 2.678 362 HB2 LEU 49 1HB LEU 49 -7.713 -5.904 -0.067 363 HB3 LEU 49 2HB LEU 49 -8.688 -6.547 1.252 364 HG LEU 49 HG LEU 49 -7.973 -4.449 2.546 365 HD11 LEU 49 1HD1 LEU 49 -6.486 -4.051 0.189 366 HD12 LEU 49 2HD1 LEU 49 -6.654 -2.962 1.566 367 HD13 LEU 49 3HD1 LEU 49 -7.761 -2.832 0.200 368 HD21 LEU 49 1HD2 LEU 49 -10.227 -4.924 1.564 369 HD22 LEU 49 2HD2 LEU 49 -9.723 -4.030 0.130 370 HD23 LEU 49 3HD2 LEU 49 -9.821 -3.212 1.690 371 H ASN 50 H ASN 50 -7.726 -8.655 2.539 372 HA ASN 50 HA ASN 50 -6.865 -10.412 0.364 373 HB2 ASN 50 1HB ASN 50 -5.185 -11.089 1.765 374 HB3 ASN 50 2HB ASN 50 -6.066 -10.631 3.220 375 HD21 ASN 50 1HD2 ASN 50 -5.137 -13.157 1.198 376 HD22 ASN 50 2HD2 ASN 50 -6.089 -14.410 1.911 377 H GLN 51 H GLN 51 -7.932 -12.635 0.631 378 HA GLN 51 HA GLN 51 -10.580 -12.583 0.318 379 HB2 GLN 51 1HB GLN 51 -8.970 -14.699 1.742 380 HB3 GLN 51 2HB GLN 51 -10.660 -14.920 1.308 381 HG2 GLN 51 1HG GLN 51 -8.368 -14.441 -0.581 382 HG3 GLN 51 2HG GLN 51 -9.246 -15.951 -0.341 383 HE21 GLN 51 1HE2 GLN 51 -10.937 -16.347 -1.596 384 HE22 GLN 51 2HE2 GLN 51 -11.716 -15.199 -2.626 385 H ASP 52 H ASP 52 -9.217 -13.407 3.512 386 HA ASP 52 HA ASP 52 -11.499 -12.017 4.744 387 HB2 ASP 52 1HB ASP 52 -11.467 -14.667 4.714 388 HB3 ASP 52 2HB ASP 52 -10.374 -14.440 6.077 389 H GLU 53 H GLU 53 -8.832 -11.050 4.265 390 HA GLU 53 HA GLU 53 -8.126 -10.398 7.018 391 HB2 GLU 53 1HB GLU 53 -6.171 -11.537 5.017 392 HB3 GLU 53 2HB GLU 53 -5.694 -10.735 6.507 393 HG2 GLU 53 1HG GLU 53 -6.834 -12.430 7.813 394 HG3 GLU 53 2HG GLU 53 -7.388 -13.217 6.337 395 H GLU 54 H GLU 54 -8.112 -8.262 7.129 396 HA GLU 54 HA GLU 54 -7.074 -6.739 4.830 397 HB2 GLU 54 1HB GLU 54 -9.268 -6.112 4.687 398 HB3 GLU 54 2HB GLU 54 -9.576 -6.408 6.392 399 HG2 GLU 54 1HG GLU 54 -7.794 -4.148 5.690 400 HG3 GLU 54 2HG GLU 54 -9.517 -3.972 5.365 401 H TRP 55 H TRP 55 -5.341 -5.573 5.297 402 HA TRP 55 HA TRP 55 -5.093 -4.305 7.909 403 HB2 TRP 55 1HB TRP 55 -2.991 -5.227 8.452 404 HB3 TRP 55 2HB TRP 55 -3.962 -6.603 7.935 405 HD1 TRP 55 HD TRP 55 -1.097 -4.348 6.695 406 HE1 TRP 55 1HE TRP 55 0.205 -5.622 4.877 407 HE3 TRP 55 3HE TRP 55 -4.115 -8.451 6.261 408 HZ2 TRP 55 2HZ TRP 55 -0.019 -8.046 3.447 409 HZ3 TRP 55 3HZ TRP 55 -3.501 -10.202 4.645 410 HH2 TRP 55 HH TRP 55 -1.495 -10.001 3.267 411 H HIS 56 H HIS 56 -4.014 -2.387 7.858 412 HA HIS 56 HA HIS 56 -2.818 -1.605 5.280 413 HB2 HIS 56 1HB HIS 56 -3.569 0.767 6.024 414 HB3 HIS 56 2HB HIS 56 -4.768 -0.328 5.342 415 HD1 HIS 56 1HD HIS 56 -6.668 0.920 6.590 416 HD2 HIS 56 2HD HIS 56 -3.822 -0.796 9.084 417 HE1 HIS 56 1HE HIS 56 -7.676 0.966 8.893 418 HE2 HIS 56 2HE HIS 56 -5.902 0.001 10.398 419 H GLN 57 H GLN 57 -1.020 -0.223 5.341 420 HA GLN 57 HA GLN 57 0.130 0.425 7.939 421 HB2 GLN 57 1HB GLN 57 2.336 -0.542 7.237 422 HB3 GLN 57 2HB GLN 57 1.088 -1.734 7.573 423 HG2 GLN 57 1HG GLN 57 0.709 -2.082 5.230 424 HG3 GLN 57 2HG GLN 57 1.815 -0.772 4.818 425 HE21 GLN 57 1HE2 GLN 57 4.019 -1.128 6.100 426 HE22 GLN 57 2HE2 GLN 57 4.717 -2.687 5.839 427 H MET 58 H MET 58 0.735 2.476 7.863 428 HA MET 58 HA MET 58 1.014 3.868 5.374 429 HB2 MET 58 1HB MET 58 0.028 4.997 7.282 430 HB3 MET 58 2HB MET 58 1.493 4.753 8.224 431 HG2 MET 58 1HG MET 58 1.624 6.260 5.656 432 HG3 MET 58 2HG MET 58 1.013 7.049 7.108 433 HE1 MET 58 1HE MET 58 2.671 7.721 9.249 434 HE2 MET 58 2HE MET 58 4.060 8.488 8.480 435 HE3 MET 58 3HE MET 58 2.445 8.708 7.804 436 H VAL 59 H VAL 59 2.817 4.382 4.284 437 HA VAL 59 HA VAL 59 5.414 3.852 5.570 438 HB VAL 59 HB VAL 59 6.275 3.108 3.366 439 HG11 VAL 59 1HG1 VAL 59 4.084 1.213 3.723 440 HG12 VAL 59 2HG1 VAL 59 5.823 0.987 3.918 441 HG13 VAL 59 3HG1 VAL 59 4.869 1.674 5.233 442 HG21 VAL 59 1HG2 VAL 59 3.740 4.068 2.484 443 HG22 VAL 59 2HG2 VAL 59 5.094 3.474 1.521 444 HG23 VAL 59 3HG2 VAL 59 3.863 2.351 2.099 445 H LEU 60 H LEU 60 7.073 5.262 5.120 446 HA LEU 60 HA LEU 60 6.270 7.821 4.005 447 HB2 LEU 60 1HB LEU 60 8.886 7.004 5.259 448 HB3 LEU 60 2HB LEU 60 8.375 8.648 4.883 449 HG LEU 60 HG LEU 60 6.909 6.909 6.852 450 HD11 LEU 60 1HD1 LEU 60 8.196 7.704 8.608 451 HD12 LEU 60 2HD1 LEU 60 8.883 9.013 7.647 452 HD13 LEU 60 3HD1 LEU 60 9.399 7.350 7.368 453 HD21 LEU 60 1HD2 LEU 60 5.581 8.673 7.174 454 HD22 LEU 60 2HD2 LEU 60 6.241 9.299 5.663 455 HD23 LEU 60 3HD2 LEU 60 6.939 9.798 7.204 456 H GLU 61 H GLU 61 7.977 5.024 3.036 457 HA GLU 61 HA GLU 61 9.261 6.464 0.819 458 HB2 GLU 61 1HB GLU 61 10.566 4.375 0.497 459 HB3 GLU 61 2HB GLU 61 10.803 5.104 2.079 460 HG2 GLU 61 1HG GLU 61 8.793 2.927 1.679 461 HG3 GLU 61 2HG GLU 61 10.501 2.558 1.915 462 HA PRO 62 HA PRO 62 6.456 4.860 -2.151 463 HB2 PRO 62 1HB PRO 62 8.084 4.582 -4.307 464 HB3 PRO 62 2HB PRO 62 7.550 6.155 -3.702 465 HG2 PRO 62 1HG PRO 62 10.146 4.734 -3.252 466 HG3 PRO 62 2HG PRO 62 9.855 6.446 -3.610 467 HD2 PRO 62 1HD PRO 62 10.359 5.547 -1.106 468 HD3 PRO 62 2HD PRO 62 9.306 6.940 -1.427 469 H ARG 63 H ARG 63 8.751 2.986 -0.722 470 HA ARG 63 HA ARG 63 7.912 0.598 -2.230 471 HB2 ARG 63 1HB ARG 63 10.066 -0.410 -1.823 472 HB3 ARG 63 2HB ARG 63 10.306 1.156 -2.585 473 HG2 ARG 63 1HG ARG 63 10.786 2.123 -0.363 474 HG3 ARG 63 2HG ARG 63 10.647 0.507 0.334 475 HD2 ARG 63 1HD ARG 63 12.641 1.412 -1.740 476 HD3 ARG 63 2HD ARG 63 12.976 1.052 -0.047 477 HE ARG 63 HE ARG 63 11.829 -1.123 -1.573 478 HH11 ARG 63 2HH1 ARG 63 14.729 0.430 -0.434 479 HH12 ARG 63 1HH1 ARG 63 15.710 -0.988 -0.602 480 HH21 ARG 63 2HH2 ARG 63 13.110 -2.996 -1.799 481 HH22 ARG 63 1HH2 ARG 63 14.788 -2.936 -1.379 482 H VAL 64 H VAL 64 7.010 -1.003 -1.082 483 HA VAL 64 HA VAL 64 7.228 -0.898 1.855 484 HB VAL 64 HB VAL 64 5.014 -0.104 1.173 485 HG11 VAL 64 1HG1 VAL 64 5.056 -2.606 -0.436 486 HG12 VAL 64 2HG1 VAL 64 3.513 -2.049 0.214 487 HG13 VAL 64 3HG1 VAL 64 4.451 -1.004 -0.854 488 HG21 VAL 64 1HG2 VAL 64 5.413 -2.589 2.714 489 HG22 VAL 64 2HG2 VAL 64 4.695 -1.053 3.201 490 HG23 VAL 64 3HG2 VAL 64 3.750 -2.211 2.265 491 H LEU 65 H LEU 65 7.430 -2.829 2.925 492 HA LEU 65 HA LEU 65 7.732 -5.218 1.227 493 HB2 LEU 65 1HB LEU 65 9.772 -4.203 2.412 494 HB3 LEU 65 2HB LEU 65 9.057 -4.839 3.892 495 HG LEU 65 HG LEU 65 10.789 -6.322 3.039 496 HD11 LEU 65 1HD1 LEU 65 8.871 -7.273 4.235 497 HD12 LEU 65 2HD1 LEU 65 9.517 -8.388 3.032 498 HD13 LEU 65 3HD1 LEU 65 8.032 -7.496 2.699 499 HD21 LEU 65 1HD2 LEU 65 10.579 -7.453 0.922 500 HD22 LEU 65 2HD2 LEU 65 10.547 -5.710 0.654 501 HD23 LEU 65 3HD2 LEU 65 9.049 -6.639 0.597 502 H LEU 66 H LEU 66 6.037 -6.515 1.468 503 HA LEU 66 HA LEU 66 4.678 -6.656 4.056 504 HB2 LEU 66 1HB LEU 66 3.848 -7.905 1.445 505 HB3 LEU 66 2HB LEU 66 2.865 -7.705 2.894 506 HG LEU 66 HG LEU 66 3.926 -5.354 1.349 507 HD11 LEU 66 1HD1 LEU 66 1.284 -6.754 0.959 508 HD12 LEU 66 2HD1 LEU 66 2.626 -6.746 -0.186 509 HD13 LEU 66 3HD1 LEU 66 1.787 -5.243 0.199 510 HD21 LEU 66 1HD2 LEU 66 1.455 -4.815 2.513 511 HD22 LEU 66 2HD2 LEU 66 3.036 -4.267 3.072 512 HD23 LEU 66 3HD2 LEU 66 2.334 -5.749 3.724 513 H THR 67 H THR 67 4.871 -8.349 5.374 514 HA THR 67 HA THR 67 6.045 -10.831 4.302 515 HB THR 67 HB THR 67 7.144 -11.159 6.512 516 HG1 THR 67 1HG THR 67 6.486 -8.424 6.963 517 HG21 THR 67 1HG2 THR 67 8.988 -10.228 5.658 518 HG22 THR 67 2HG2 THR 67 8.322 -8.602 5.810 519 HG23 THR 67 3HG2 THR 67 7.960 -9.574 4.384 520 H LYS 68 H LYS 68 5.740 -12.663 6.017 521 HA LYS 68 HA LYS 68 4.295 -14.097 7.032 522 HB2 LYS 68 1HB LYS 68 3.510 -11.440 8.128 523 HB3 LYS 68 2HB LYS 68 2.431 -12.797 8.421 524 HG2 LYS 68 1HG LYS 68 4.018 -13.948 9.675 525 HG3 LYS 68 2HG LYS 68 5.355 -12.992 9.032 526 HD2 LYS 68 1HD LYS 68 5.136 -12.041 11.104 527 HD3 LYS 68 2HD LYS 68 4.045 -11.012 10.174 528 HE2 LYS 68 1HE LYS 68 2.154 -11.976 11.078 529 HE3 LYS 68 2HE LYS 68 2.984 -13.479 11.477 530 HZ1 LYS 68 1HZ LYS 68 3.308 -10.876 12.867 531 HZ2 LYS 68 2HZ LYS 68 4.184 -12.278 13.224 532 HZ3 LYS 68 3HZ LYS 68 2.511 -12.241 13.470 533 H LEU 69 H LEU 69 3.773 -13.572 4.366 534 HA LEU 69 HA LEU 69 0.853 -13.337 4.198 535 HB2 LEU 69 1HB LEU 69 2.826 -13.415 1.927 536 HB3 LEU 69 2HB LEU 69 1.129 -12.943 1.859 537 HG LEU 69 HG LEU 69 3.286 -11.405 3.304 538 HD11 LEU 69 1HD1 LEU 69 3.764 -11.250 0.988 539 HD12 LEU 69 2HD1 LEU 69 2.921 -9.766 1.431 540 HD13 LEU 69 3HD1 LEU 69 2.060 -11.047 0.580 541 HD21 LEU 69 1HD2 LEU 69 1.076 -11.086 4.261 542 HD22 LEU 69 2HD2 LEU 69 0.415 -10.733 2.665 543 HD23 LEU 69 3HD2 LEU 69 1.589 -9.637 3.396 544 H GLN 70 H GLN 70 -0.153 -14.786 2.468 545 HA GLN 70 HA GLN 70 0.851 -17.520 2.877 546 HB2 GLN 70 1HB GLN 70 -1.936 -16.529 2.260 547 HB3 GLN 70 2HB GLN 70 -1.484 -18.225 2.364 548 HG2 GLN 70 1HG GLN 70 -0.600 -17.470 4.737 549 HG3 GLN 70 2HG GLN 70 -1.812 -16.209 4.512 550 HE21 GLN 70 1HE2 GLN 70 -3.907 -16.686 4.803 551 HE22 GLN 70 2HE2 GLN 70 -4.515 -18.258 5.182 552 HA PRO 71 HA PRO 71 1.779 -17.797 -1.423 553 HB2 PRO 71 1HB PRO 71 1.847 -20.503 -1.639 554 HB3 PRO 71 2HB PRO 71 3.127 -19.569 -0.856 555 HG2 PRO 71 1HG PRO 71 0.853 -21.074 0.380 556 HG3 PRO 71 2HG PRO 71 2.553 -21.006 0.880 557 HD2 PRO 71 1HD PRO 71 0.618 -19.552 2.094 558 HD3 PRO 71 2HD PRO 71 2.291 -18.977 1.941 559 H ASP 72 H ASP 72 0.896 -18.587 -3.433 560 HA ASP 72 HA ASP 72 -0.868 -18.735 -4.877 561 HB2 ASP 72 1HB ASP 72 -2.144 -20.754 -4.702 562 HB3 ASP 72 2HB ASP 72 -0.523 -21.107 -4.112 563 H THR 73 H THR 73 -1.214 -16.665 -3.072 564 HA THR 73 HA THR 73 -4.140 -16.642 -2.816 565 HB THR 73 HB THR 73 -2.252 -15.529 -0.731 566 HG1 THR 73 1HG THR 73 -4.092 -17.570 -0.185 567 HG21 THR 73 1HG2 THR 73 -4.558 -15.475 0.516 568 HG22 THR 73 2HG2 THR 73 -5.212 -15.424 -1.122 569 HG23 THR 73 3HG2 THR 73 -4.106 -14.165 -0.574 570 H THR 74 H THR 74 -5.128 -14.727 -3.319 571 HA THR 74 HA THR 74 -3.458 -12.751 -4.657 572 HB THR 74 HB THR 74 -6.475 -12.895 -4.521 573 HG1 THR 74 1HG THR 74 -4.579 -14.014 -6.299 574 HG21 THR 74 1HG2 THR 74 -5.153 -10.709 -5.141 575 HG22 THR 74 2HG2 THR 74 -6.557 -11.207 -6.085 576 HG23 THR 74 3HG2 THR 74 -4.930 -11.536 -6.682 577 H TYR 75 H TYR 75 -2.692 -11.117 -3.494 578 HA TYR 75 HA TYR 75 -4.342 -10.046 -1.304 579 HB2 TYR 75 1HB TYR 75 -1.354 -10.076 -1.717 580 HB3 TYR 75 2HB TYR 75 -2.133 -9.064 -0.506 581 HD1 TYR 75 2HD TYR 75 -3.419 -10.152 1.351 582 HD2 TYR 75 1HD TYR 75 -0.987 -12.385 -1.333 583 HE1 TYR 75 2HE TYR 75 -3.402 -12.031 2.939 584 HE2 TYR 75 1HE TYR 75 -0.963 -14.270 0.247 585 HH TYR 75 HH TYR 75 -3.051 -14.438 2.938 586 H ILE 76 H ILE 76 -5.405 -8.277 -1.885 587 HA ILE 76 HA ILE 76 -4.699 -6.653 -4.098 588 HB ILE 76 HB ILE 76 -6.535 -5.859 -1.842 589 HG12 ILE 76 1HG1 ILE 76 -7.102 -8.119 -2.699 590 HG13 ILE 76 2HG1 ILE 76 -8.347 -6.927 -3.056 591 HG21 ILE 76 1HG2 ILE 76 -6.223 -4.005 -3.214 592 HG22 ILE 76 2HG2 ILE 76 -6.163 -4.980 -4.681 593 HG23 ILE 76 3HG2 ILE 76 -7.697 -4.737 -3.846 594 HD11 ILE 76 1HD1 ILE 76 -7.398 -6.716 -5.340 595 HD12 ILE 76 2HD1 ILE 76 -6.304 -8.045 -4.954 596 HD13 ILE 76 3HD1 ILE 76 -8.047 -8.314 -4.970 597 H VAL 77 H VAL 77 -3.744 -4.655 -4.208 598 HA VAL 77 HA VAL 77 -2.660 -3.526 -1.720 599 HB VAL 77 HB VAL 77 -1.053 -3.691 -4.266 600 HG11 VAL 77 1HG1 VAL 77 0.564 -3.442 -1.982 601 HG12 VAL 77 2HG1 VAL 77 0.255 -2.228 -3.225 602 HG13 VAL 77 3HG1 VAL 77 -0.757 -2.291 -1.782 603 HG21 VAL 77 1HG2 VAL 77 -1.674 -5.842 -2.652 604 HG22 VAL 77 2HG2 VAL 77 -0.300 -5.730 -3.752 605 HG23 VAL 77 3HG2 VAL 77 -0.103 -5.314 -2.049 606 H ARG 78 H ARG 78 -2.360 -1.288 -1.709 607 HA ARG 78 HA ARG 78 -2.863 0.306 -4.041 608 HB2 ARG 78 1HB ARG 78 -4.860 1.459 -3.085 609 HB3 ARG 78 2HB ARG 78 -5.158 -0.209 -3.554 610 HG2 ARG 78 1HG ARG 78 -5.194 -0.940 -1.315 611 HG3 ARG 78 2HG ARG 78 -4.503 0.575 -0.731 612 HD2 ARG 78 1HD ARG 78 -6.691 0.950 -0.221 613 HD3 ARG 78 2HD ARG 78 -6.674 1.575 -1.869 614 HE ARG 78 HE ARG 78 -7.366 -1.224 -1.600 615 HH11 ARG 78 2HH1 ARG 78 -8.499 2.060 -1.836 616 HH12 ARG 78 1HH1 ARG 78 -10.085 1.612 -2.371 617 HH21 ARG 78 2HH2 ARG 78 -9.451 -1.826 -2.304 618 HH22 ARG 78 1HH2 ARG 78 -10.625 -0.598 -2.636 619 H VAL 79 H VAL 79 -1.670 2.082 -3.857 620 HA VAL 79 HA VAL 79 -1.084 3.110 -1.157 621 HB VAL 79 HB VAL 79 0.870 1.953 -2.218 622 HG11 VAL 79 1HG1 VAL 79 1.868 2.689 -4.158 623 HG12 VAL 79 2HG1 VAL 79 0.162 2.932 -4.535 624 HG13 VAL 79 3HG1 VAL 79 1.160 4.299 -4.040 625 HG21 VAL 79 1HG2 VAL 79 2.347 4.155 -1.996 626 HG22 VAL 79 2HG2 VAL 79 0.847 4.774 -1.305 627 HG23 VAL 79 3HG2 VAL 79 1.626 3.359 -0.597 628 H ARG 80 H ARG 80 -0.915 5.345 -0.919 629 HA ARG 80 HA ARG 80 -1.441 7.030 -3.241 630 HB2 ARG 80 1HB ARG 80 -3.309 8.169 -2.175 631 HB3 ARG 80 2HB ARG 80 -3.662 6.455 -2.349 632 HG2 ARG 80 1HG ARG 80 -4.379 6.791 -0.217 633 HG3 ARG 80 2HG ARG 80 -2.699 6.355 0.100 634 HD2 ARG 80 1HD ARG 80 -2.831 8.246 1.364 635 HD3 ARG 80 2HD ARG 80 -2.357 8.965 -0.174 636 HE ARG 80 HE ARG 80 -4.455 9.905 -0.361 637 HH11 ARG 80 2HH1 ARG 80 -4.383 7.648 2.289 638 HH12 ARG 80 1HH1 ARG 80 -5.914 8.148 2.928 639 HH21 ARG 80 2HH2 ARG 80 -6.472 10.573 0.470 640 HH22 ARG 80 1HH2 ARG 80 -7.102 9.811 1.892 641 H THR 81 H THR 81 -0.676 9.110 -3.048 642 HA THR 81 HA THR 81 1.306 9.540 -1.017 643 HB THR 81 HB THR 81 0.330 11.363 -3.224 644 HG1 THR 81 1HG THR 81 1.804 9.206 -3.335 645 HG21 THR 81 1HG2 THR 81 2.091 11.844 -0.968 646 HG22 THR 81 2HG2 THR 81 1.430 12.982 -2.142 647 HG23 THR 81 3HG2 THR 81 2.910 12.097 -2.508 648 H LEU 82 H LEU 82 0.875 10.299 0.939 649 HA LEU 82 HA LEU 82 -1.610 11.570 1.573 650 HB2 LEU 82 1HB LEU 82 0.801 10.696 3.052 651 HB3 LEU 82 2HB LEU 82 -0.170 11.969 3.789 652 HG LEU 82 HG LEU 82 -1.203 9.247 2.994 653 HD11 LEU 82 1HD1 LEU 82 -0.379 10.359 5.670 654 HD12 LEU 82 2HD1 LEU 82 0.325 8.985 4.817 655 HD13 LEU 82 3HD1 LEU 82 -1.316 8.881 5.452 656 HD21 LEU 82 1HD2 LEU 82 -3.259 9.936 3.549 657 HD22 LEU 82 2HD2 LEU 82 -2.619 11.561 3.304 658 HD23 LEU 82 3HD2 LEU 82 -2.679 10.872 4.927 659 H THR 83 H THR 83 -2.043 13.686 1.978 660 HA THR 83 HA THR 83 0.167 15.612 1.753 661 HB THR 83 HB THR 83 -0.957 16.991 0.224 662 HG1 THR 83 1HG THR 83 -3.083 17.063 0.069 663 HG21 THR 83 1HG2 THR 83 -2.016 14.828 -1.276 664 HG22 THR 83 2HG2 THR 83 -0.595 14.237 -0.414 665 HG23 THR 83 3HG2 THR 83 -0.464 15.640 -1.475 666 HA PRO 84 HA PRO 84 -1.606 17.564 5.267 667 HB2 PRO 84 1HB PRO 84 -0.855 20.138 4.846 668 HB3 PRO 84 2HB PRO 84 0.281 18.874 5.331 669 HG2 PRO 84 1HG PRO 84 -0.250 20.001 2.609 670 HG3 PRO 84 2HG PRO 84 1.300 19.605 3.374 671 HD2 PRO 84 1HD PRO 84 0.109 17.977 1.568 672 HD3 PRO 84 2HD PRO 84 1.103 17.358 2.902 673 H LEU 85 H LEU 85 -2.215 19.133 2.145 674 HA LEU 85 HA LEU 85 -4.905 19.837 3.116 675 HB2 LEU 85 1HB LEU 85 -3.062 21.430 1.348 676 HB3 LEU 85 2HB LEU 85 -4.780 21.781 1.525 677 HG LEU 85 HG LEU 85 -2.835 21.796 3.826 678 HD11 LEU 85 1HD1 LEU 85 -2.309 23.956 3.458 679 HD12 LEU 85 2HD1 LEU 85 -3.882 24.335 2.757 680 HD13 LEU 85 3HD1 LEU 85 -2.653 23.530 1.781 681 HD21 LEU 85 1HD2 LEU 85 -4.930 23.473 4.390 682 HD22 LEU 85 2HD2 LEU 85 -4.756 21.815 4.968 683 HD23 LEU 85 3HD2 LEU 85 -5.715 22.151 3.526 684 H GLY 86 H GLY 86 -5.891 18.037 2.218 685 HA2 GLY 86 1HA GLY 86 -7.212 17.193 0.484 686 HA3 GLY 86 2HA GLY 86 -6.334 18.210 -0.649 687 HA PRO 87 HA PRO 87 -3.730 14.178 0.137 688 HB2 PRO 87 1HB PRO 87 -5.152 12.081 1.111 689 HB3 PRO 87 2HB PRO 87 -4.294 13.226 2.150 690 HG2 PRO 87 1HG PRO 87 -7.200 13.126 1.437 691 HG3 PRO 87 2HG PRO 87 -6.444 13.429 3.012 692 HD2 PRO 87 1HD PRO 87 -7.408 15.421 1.451 693 HD3 PRO 87 2HD PRO 87 -6.005 15.637 2.517 694 H GLY 88 H GLY 88 -3.402 12.800 -1.546 695 HA2 GLY 88 1HA GLY 88 -5.216 12.784 -3.705 696 HA3 GLY 88 2HA GLY 88 -3.784 11.774 -3.563 697 HA PRO 89 HA PRO 89 -7.878 9.371 -3.031 698 HB2 PRO 89 1HB PRO 89 -8.071 8.301 -5.518 699 HB3 PRO 89 2HB PRO 89 -8.825 9.836 -5.072 700 HG2 PRO 89 1HG PRO 89 -6.255 9.340 -6.524 701 HG3 PRO 89 2HG PRO 89 -7.522 10.532 -6.868 702 HD2 PRO 89 1HD PRO 89 -5.227 11.175 -5.583 703 HD3 PRO 89 2HD PRO 89 -6.770 11.986 -5.245 704 H PHE 90 H PHE 90 -8.064 7.027 -3.095 705 HA PHE 90 HA PHE 90 -5.494 5.761 -2.702 706 HB2 PHE 90 1HB PHE 90 -8.323 5.105 -2.088 707 HB3 PHE 90 2HB PHE 90 -7.229 3.745 -2.320 708 HD1 PHE 90 2HD PHE 90 -5.117 3.662 -0.915 709 HD2 PHE 90 1HD PHE 90 -8.373 6.271 -0.073 710 HE1 PHE 90 2HE PHE 90 -4.310 3.918 1.395 711 HE2 PHE 90 1HE PHE 90 -7.570 6.532 2.239 712 HZ PHE 90 HZ PHE 90 -5.537 5.353 2.976 713 H SER 91 H SER 91 -4.416 4.758 -4.253 714 HA SER 91 HA SER 91 -4.986 4.507 -6.860 715 HB2 SER 91 1HB SER 91 -3.232 3.013 -7.042 716 HB3 SER 91 2HB SER 91 -2.916 3.681 -5.441 717 HG SER 91 HG SER 91 -3.680 1.144 -6.175 718 HA PRO 92 HA PRO 92 -8.271 1.685 -7.563 719 HB2 PRO 92 1HB PRO 92 -7.499 0.516 -9.888 720 HB3 PRO 92 2HB PRO 92 -8.073 2.185 -9.797 721 HG2 PRO 92 1HG PRO 92 -5.266 1.152 -9.913 722 HG3 PRO 92 2HG PRO 92 -5.988 2.526 -10.769 723 HD2 PRO 92 1HD PRO 92 -4.462 2.829 -8.553 724 HD3 PRO 92 2HD PRO 92 -5.807 3.920 -8.942 725 H ASP 93 H ASP 93 -8.767 -0.220 -6.687 726 HA ASP 93 HA ASP 93 -7.081 -1.962 -5.470 727 HB2 ASP 93 1HB ASP 93 -8.916 -3.730 -5.945 728 HB3 ASP 93 2HB ASP 93 -9.348 -2.296 -5.018 729 H HIS 94 H HIS 94 -5.248 -2.655 -6.429 730 HA HIS 94 HA HIS 94 -5.242 -3.655 -9.137 731 HB2 HIS 94 1HB HIS 94 -3.026 -3.708 -7.079 732 HB3 HIS 94 2HB HIS 94 -2.852 -3.973 -8.811 733 HD1 HIS 94 1HD HIS 94 -3.303 -1.836 -10.351 734 HD2 HIS 94 2HD HIS 94 -2.902 -1.091 -6.284 735 HE1 HIS 94 1HE HIS 94 -2.882 0.636 -10.159 736 HE2 HIS 94 2HE HIS 94 -2.558 1.049 -7.695 737 H GLU 95 H GLU 95 -3.703 -5.783 -9.276 738 HA GLU 95 HA GLU 95 -4.898 -7.808 -7.506 739 HB2 GLU 95 1HB GLU 95 -4.915 -7.652 -10.468 740 HB3 GLU 95 2HB GLU 95 -4.615 -9.235 -9.766 741 HG2 GLU 95 1HG GLU 95 -6.699 -9.283 -8.699 742 HG3 GLU 95 2HG GLU 95 -6.950 -7.553 -8.929 743 H PHE 96 H PHE 96 -3.334 -8.742 -6.383 744 HA PHE 96 HA PHE 96 -0.795 -9.350 -7.745 745 HB2 PHE 96 1HB PHE 96 -1.191 -8.297 -4.940 746 HB3 PHE 96 2HB PHE 96 0.325 -8.983 -5.515 747 HD1 PHE 96 1HD PHE 96 1.565 -7.854 -7.350 748 HD2 PHE 96 2HD PHE 96 -1.821 -6.086 -5.472 749 HE1 PHE 96 1HE PHE 96 2.224 -5.656 -8.238 750 HE2 PHE 96 2HE PHE 96 -1.168 -3.886 -6.357 751 HZ PHE 96 HZ PHE 96 0.857 -3.669 -7.743 752 H ARG 97 H ARG 97 0.080 -11.339 -7.373 753 HA ARG 97 HA ARG 97 -1.301 -13.095 -5.461 754 HB2 ARG 97 1HB ARG 97 -2.026 -13.450 -7.870 755 HB3 ARG 97 2HB ARG 97 -0.388 -14.006 -8.187 756 HG2 ARG 97 1HG ARG 97 -0.663 -15.810 -6.591 757 HG3 ARG 97 2HG ARG 97 -2.282 -15.231 -6.192 758 HD2 ARG 97 1HD ARG 97 -3.129 -15.816 -8.299 759 HD3 ARG 97 2HD ARG 97 -1.518 -15.961 -9.001 760 HE ARG 97 HE ARG 97 -1.788 -17.842 -6.935 761 HH11 ARG 97 2HH1 ARG 97 -2.991 -17.184 -10.135 762 HH12 ARG 97 1HH1 ARG 97 -3.275 -18.851 -10.512 763 HH21 ARG 97 2HH2 ARG 97 -2.158 -20.040 -7.419 764 HH22 ARG 97 1HH2 ARG 97 -2.801 -20.475 -8.966 765 H THR 98 H THR 98 -0.044 -14.734 -4.536 766 HA THR 98 HA THR 98 2.824 -14.187 -4.589 767 HB THR 98 HB THR 98 2.889 -15.731 -2.605 768 HG1 THR 98 1HG THR 98 0.695 -16.019 -1.655 769 HG21 THR 98 1HG2 THR 98 2.900 -13.502 -1.981 770 HG22 THR 98 2HG2 THR 98 1.461 -14.097 -1.151 771 HG23 THR 98 3HG2 THR 98 1.301 -13.198 -2.659 772 H SER 99 H SER 99 4.388 -15.812 -4.881 773 HA SER 99 HA SER 99 3.998 -17.568 -6.974 774 HB2 SER 99 1HB SER 99 6.071 -17.272 -4.859 775 HB3 SER 99 2HB SER 99 6.066 -18.778 -5.775 776 HG SER 99 HG SER 99 6.823 -16.273 -6.544 777 HA PRO 100 HA PRO 100 1.901 -21.085 -5.389 778 HB2 PRO 100 1HB PRO 100 2.954 -23.042 -6.948 779 HB3 PRO 100 2HB PRO 100 1.807 -21.843 -7.556 780 HG2 PRO 100 1HG PRO 100 4.790 -21.906 -7.802 781 HG3 PRO 100 2HG PRO 100 3.574 -21.496 -9.027 782 HD2 PRO 100 1HD PRO 100 4.971 -19.613 -7.671 783 HD3 PRO 100 2HD PRO 100 3.302 -19.354 -8.220 784 HA PRO 101 HA PRO 101 4.478 -22.936 -2.319 785 HB2 PRO 101 1HB PRO 101 2.879 -25.019 -1.632 786 HB3 PRO 101 2HB PRO 101 2.538 -23.351 -1.159 787 HG2 PRO 101 1HG PRO 101 1.384 -24.956 -3.407 788 HG3 PRO 101 2HG PRO 101 0.563 -23.868 -2.272 789 HD2 PRO 101 1HD PRO 101 1.215 -23.123 -4.792 790 HD3 PRO 101 2HD PRO 101 1.190 -21.979 -3.435 791 H SER 102 H SER 102 5.514 -25.019 -1.773 792 HA SER 102 HA SER 102 6.788 -26.824 -2.315 793 HB2 SER 102 1HB SER 102 4.532 -27.813 -2.798 794 HB3 SER 102 2HB SER 102 4.743 -27.342 -4.484 795 HG SER 102 HG SER 102 6.700 -28.633 -4.435 796 H GLY 103 H GLY 103 7.562 -24.374 -3.388 797 HA2 GLY 103 1HA GLY 103 8.131 -24.577 -6.183 798 HA3 GLY 103 2HA GLY 103 8.811 -23.404 -5.065 799 HA PRO 104 HA PRO 104 12.669 -25.466 -5.482 800 HB2 PRO 104 1HB PRO 104 13.879 -24.581 -3.218 801 HB3 PRO 104 2HB PRO 104 13.614 -23.552 -4.631 802 HG2 PRO 104 1HG PRO 104 12.028 -23.737 -2.099 803 HG3 PRO 104 2HG PRO 104 12.525 -22.296 -3.005 804 HD2 PRO 104 1HD PRO 104 10.031 -23.338 -3.177 805 HD3 PRO 104 2HD PRO 104 10.821 -22.521 -4.541 806 H SER 105 H SER 105 14.174 -26.893 -4.211 807 HA SER 105 HA SER 105 12.927 -29.174 -3.318 808 HB2 SER 105 1HB SER 105 15.298 -29.094 -3.962 809 HB3 SER 105 2HB SER 105 15.667 -28.171 -2.505 810 HG SER 105 HG SER 105 14.497 -30.754 -2.483 811 H SER 106 H SER 106 11.518 -29.325 -1.702 812 HA SER 106 HA SER 106 11.667 -27.631 0.620 813 HB2 SER 106 1HB SER 106 9.510 -28.378 -0.433 814 HB3 SER 106 2HB SER 106 9.847 -30.004 0.162 815 HG SER 106 HG SER 106 9.884 -27.826 1.938 816 H GLY 107 H GLY 107 11.750 -31.170 0.144 817 HA2 GLY 107 1HA GLY 107 13.902 -31.523 1.972 818 HA3 GLY 107 2HA GLY 107 12.369 -31.913 2.737 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.450 -10.603 -20.141 2 HA2 GLY 1 1HA GLY 1 -13.475 -10.210 -18.442 3 HA3 GLY 1 2HA GLY 1 -12.213 -10.736 -17.338 4 H SER 2 H SER 2 -13.708 -8.088 -18.154 5 HA SER 2 HA SER 2 -11.413 -6.403 -17.596 6 HB2 SER 2 1HB SER 2 -13.120 -5.869 -20.037 7 HB3 SER 2 2HB SER 2 -11.735 -4.926 -19.488 8 HG SER 2 HG SER 2 -11.820 -7.344 -20.838 9 H SER 3 H SER 3 -12.103 -5.317 -15.880 10 HA SER 3 HA SER 3 -14.911 -4.476 -15.747 11 HB2 SER 3 1HB SER 3 -14.642 -4.301 -13.380 12 HB3 SER 3 2HB SER 3 -13.869 -5.812 -13.859 13 HG SER 3 HG SER 3 -12.590 -3.339 -13.308 14 H GLY 4 H GLY 4 -15.484 -2.399 -15.907 15 HA2 GLY 4 1HA GLY 4 -14.973 -0.075 -15.223 16 HA3 GLY 4 2HA GLY 4 -13.334 -0.374 -15.782 17 H SER 5 H SER 5 -16.700 -0.218 -16.887 18 HA SER 5 HA SER 5 -16.521 -0.356 -19.564 19 HB2 SER 5 1HB SER 5 -18.311 1.391 -19.695 20 HB3 SER 5 2HB SER 5 -18.632 0.139 -18.495 21 HG SER 5 HG SER 5 -18.898 1.804 -17.229 22 H SER 6 H SER 6 -15.879 2.636 -17.736 23 HA SER 6 HA SER 6 -14.474 3.691 -20.094 24 HB2 SER 6 1HB SER 6 -15.898 4.995 -17.799 25 HB3 SER 6 2HB SER 6 -14.647 5.882 -18.668 26 HG SER 6 HG SER 6 -16.732 4.585 -20.053 27 H GLY 7 H GLY 7 -12.611 5.211 -19.498 28 HA2 GLY 7 1HA GLY 7 -11.086 4.126 -17.219 29 HA3 GLY 7 2HA GLY 7 -10.355 4.218 -18.814 30 H ALA 8 H ALA 8 -12.318 6.457 -16.852 31 HA ALA 8 HA ALA 8 -10.264 8.512 -17.346 32 HB1 ALA 8 1HB ALA 8 -12.506 9.868 -16.504 33 HB2 ALA 8 2HB ALA 8 -11.983 9.668 -18.177 34 HB3 ALA 8 3HB ALA 8 -13.170 8.562 -17.486 35 H GLU 9 H GLU 9 -8.985 7.992 -15.550 36 HA GLU 9 HA GLU 9 -10.235 8.520 -12.934 37 HB2 GLU 9 1HB GLU 9 -8.101 6.611 -13.783 38 HB3 GLU 9 2HB GLU 9 -8.037 7.276 -12.157 39 HG2 GLU 9 1HG GLU 9 -9.170 5.199 -12.037 40 HG3 GLU 9 2HG GLU 9 -10.372 6.469 -11.816 41 H SER 10 H SER 10 -9.019 9.718 -11.390 42 HA SER 10 HA SER 10 -7.036 11.511 -12.629 43 HB2 SER 10 1HB SER 10 -9.122 12.635 -11.937 44 HB3 SER 10 2HB SER 10 -8.875 12.065 -10.287 45 HG SER 10 HG SER 10 -7.984 14.031 -10.250 46 H LEU 11 H LEU 11 -5.337 10.019 -12.118 47 HA LEU 11 HA LEU 11 -4.670 9.908 -9.252 48 HB2 LEU 11 1HB LEU 11 -5.012 7.739 -10.483 49 HB3 LEU 11 2HB LEU 11 -3.581 8.139 -11.431 50 HG LEU 11 HG LEU 11 -2.266 8.158 -9.312 51 HD11 LEU 11 1HD1 LEU 11 -4.937 7.738 -8.207 52 HD12 LEU 11 2HD1 LEU 11 -3.475 8.358 -7.442 53 HD13 LEU 11 3HD1 LEU 11 -3.722 6.618 -7.590 54 HD21 LEU 11 1HD2 LEU 11 -1.923 5.862 -9.318 55 HD22 LEU 11 2HD2 LEU 11 -2.624 6.160 -10.908 56 HD23 LEU 11 3HD2 LEU 11 -3.625 5.507 -9.611 57 H SER 12 H SER 12 -3.238 11.411 -8.715 58 HA SER 12 HA SER 12 -1.767 13.092 -10.174 59 HB2 SER 12 1HB SER 12 -1.682 13.260 -7.789 60 HB3 SER 12 2HB SER 12 -0.910 11.681 -7.643 61 HG SER 12 HG SER 12 0.260 13.896 -8.974 62 H GLY 13 H GLY 13 -0.537 9.891 -9.186 63 HA2 GLY 13 1HA GLY 13 0.542 9.060 -11.543 64 HA3 GLY 13 2HA GLY 13 1.774 10.129 -10.887 65 H LEU 14 H LEU 14 -0.066 7.184 -10.297 66 HA LEU 14 HA LEU 14 2.214 6.116 -8.821 67 HB2 LEU 14 1HB LEU 14 -0.593 6.280 -7.757 68 HB3 LEU 14 2HB LEU 14 0.602 5.148 -7.127 69 HG LEU 14 HG LEU 14 1.035 8.126 -7.146 70 HD11 LEU 14 1HD1 LEU 14 -0.817 6.638 -5.566 71 HD12 LEU 14 2HD1 LEU 14 -0.430 8.357 -5.502 72 HD13 LEU 14 3HD1 LEU 14 0.496 7.209 -4.536 73 HD21 LEU 14 1HD2 LEU 14 3.063 6.903 -6.900 74 HD22 LEU 14 2HD2 LEU 14 2.333 5.810 -5.724 75 HD23 LEU 14 3HD2 LEU 14 2.613 7.500 -5.303 76 H SER 15 H SER 15 2.588 4.010 -9.234 77 HA SER 15 HA SER 15 0.464 2.357 -10.365 78 HB2 SER 15 1HB SER 15 2.943 3.212 -11.803 79 HB3 SER 15 2HB SER 15 2.322 1.585 -12.081 80 HG SER 15 HG SER 15 0.492 3.680 -12.182 81 H LEU 16 H LEU 16 0.431 0.715 -8.975 82 HA LEU 16 HA LEU 16 2.655 -0.140 -7.449 83 HB2 LEU 16 1HB LEU 16 -0.059 -1.288 -7.996 84 HB3 LEU 16 2HB LEU 16 1.132 -2.179 -7.051 85 HG LEU 16 HG LEU 16 0.277 0.599 -6.292 86 HD11 LEU 16 1HD1 LEU 16 -1.166 -0.759 -4.594 87 HD12 LEU 16 2HD1 LEU 16 -1.130 -1.994 -5.852 88 HD13 LEU 16 3HD1 LEU 16 -1.793 -0.398 -6.203 89 HD21 LEU 16 1HD2 LEU 16 2.162 0.047 -5.077 90 HD22 LEU 16 2HD2 LEU 16 1.739 -1.663 -4.996 91 HD23 LEU 16 3HD2 LEU 16 0.867 -0.491 -4.007 92 H LYS 17 H LYS 17 4.383 -1.110 -8.267 93 HA LYS 17 HA LYS 17 4.027 -3.008 -10.487 94 HB2 LYS 17 1HB LYS 17 5.502 -1.223 -11.105 95 HB3 LYS 17 2HB LYS 17 6.418 -1.386 -9.613 96 HG2 LYS 17 1HG LYS 17 7.825 -2.461 -11.031 97 HG3 LYS 17 2HG LYS 17 6.816 -3.827 -10.547 98 HD2 LYS 17 1HD LYS 17 5.761 -3.941 -12.572 99 HD3 LYS 17 2HD LYS 17 5.950 -2.215 -12.890 100 HE2 LYS 17 1HE LYS 17 8.185 -2.475 -13.562 101 HE3 LYS 17 2HE LYS 17 8.301 -4.083 -12.849 102 HZ1 LYS 17 1HZ LYS 17 7.061 -5.015 -14.561 103 HZ2 LYS 17 2HZ LYS 17 8.057 -3.910 -15.365 104 HZ3 LYS 17 3HZ LYS 17 6.436 -3.527 -15.070 105 H LEU 18 H LEU 18 4.692 -5.090 -10.303 106 HA LEU 18 HA LEU 18 5.356 -6.021 -7.633 107 HB2 LEU 18 1HB LEU 18 3.630 -7.192 -8.859 108 HB3 LEU 18 2HB LEU 18 4.746 -7.501 -10.187 109 HG LEU 18 HG LEU 18 6.103 -8.886 -8.576 110 HD11 LEU 18 1HD1 LEU 18 3.731 -9.228 -6.861 111 HD12 LEU 18 2HD1 LEU 18 4.640 -7.734 -6.638 112 HD13 LEU 18 3HD1 LEU 18 5.447 -9.292 -6.459 113 HD21 LEU 18 1HD2 LEU 18 3.586 -10.311 -8.558 114 HD22 LEU 18 2HD2 LEU 18 5.064 -10.643 -9.461 115 HD23 LEU 18 3HD2 LEU 18 3.872 -9.512 -10.104 116 H VAL 19 H VAL 19 7.437 -5.914 -7.082 117 HA VAL 19 HA VAL 19 9.526 -6.289 -9.066 118 HB VAL 19 HB VAL 19 10.961 -6.010 -6.862 119 HG11 VAL 19 1HG1 VAL 19 10.026 -4.308 -8.888 120 HG12 VAL 19 2HG1 VAL 19 9.869 -3.408 -7.378 121 HG13 VAL 19 3HG1 VAL 19 11.432 -4.077 -7.849 122 HG21 VAL 19 1HG2 VAL 19 8.921 -6.171 -5.422 123 HG22 VAL 19 2HG2 VAL 19 9.899 -4.729 -5.150 124 HG23 VAL 19 3HG2 VAL 19 8.405 -4.619 -6.081 125 H LYS 20 H LYS 20 8.378 -7.855 -6.099 126 HA LYS 20 HA LYS 20 9.736 -10.313 -6.966 127 HB2 LYS 20 1HB LYS 20 11.017 -9.142 -5.141 128 HB3 LYS 20 2HB LYS 20 9.625 -9.385 -4.093 129 HG2 LYS 20 1HG LYS 20 10.885 -11.186 -3.504 130 HG3 LYS 20 2HG LYS 20 9.940 -11.896 -4.815 131 HD2 LYS 20 1HD LYS 20 11.766 -11.534 -6.368 132 HD3 LYS 20 2HD LYS 20 12.702 -10.714 -5.115 133 HE2 LYS 20 1HE LYS 20 11.739 -13.538 -4.779 134 HE3 LYS 20 2HE LYS 20 13.249 -13.169 -5.611 135 HZ1 LYS 20 1HZ LYS 20 12.674 -12.162 -2.889 136 HZ2 LYS 20 2HZ LYS 20 14.168 -12.262 -3.676 137 HZ3 LYS 20 3HZ LYS 20 13.392 -13.671 -3.152 138 H LYS 21 H LYS 21 8.462 -12.054 -6.961 139 HA LYS 21 HA LYS 21 5.890 -11.877 -5.533 140 HB2 LYS 21 1HB LYS 21 5.509 -11.902 -7.905 141 HB3 LYS 21 2HB LYS 21 6.596 -13.267 -8.119 142 HG2 LYS 21 1HG LYS 21 5.016 -14.621 -6.718 143 HG3 LYS 21 2HG LYS 21 3.894 -13.260 -6.801 144 HD2 LYS 21 1HD LYS 21 3.313 -14.852 -8.509 145 HD3 LYS 21 2HD LYS 21 3.978 -13.409 -9.279 146 HE2 LYS 21 1HE LYS 21 6.085 -14.495 -9.629 147 HE3 LYS 21 2HE LYS 21 5.584 -15.887 -8.669 148 HZ1 LYS 21 1HZ LYS 21 5.378 -15.666 -11.366 149 HZ2 LYS 21 2HZ LYS 21 3.805 -15.325 -10.848 150 HZ3 LYS 21 3HZ LYS 21 4.544 -16.781 -10.406 151 H GLU 22 H GLU 22 6.697 -12.807 -3.624 152 HA GLU 22 HA GLU 22 7.610 -15.593 -3.839 153 HB2 GLU 22 1HB GLU 22 7.976 -13.476 -1.741 154 HB3 GLU 22 2HB GLU 22 8.174 -15.176 -1.340 155 HG2 GLU 22 1HG GLU 22 9.748 -15.109 -3.468 156 HG3 GLU 22 2HG GLU 22 9.860 -13.409 -3.016 157 HA PRO 23 HA PRO 23 3.926 -17.202 -2.084 158 HB2 PRO 23 1HB PRO 23 4.880 -19.218 -0.537 159 HB3 PRO 23 2HB PRO 23 4.861 -19.289 -2.303 160 HG2 PRO 23 1HG PRO 23 7.120 -18.614 -0.458 161 HG3 PRO 23 2HG PRO 23 7.126 -19.636 -1.907 162 HD2 PRO 23 1HD PRO 23 8.020 -17.080 -1.923 163 HD3 PRO 23 2HD PRO 23 7.245 -17.830 -3.334 164 H ARG 24 H ARG 24 6.459 -16.101 0.029 165 HA ARG 24 HA ARG 24 4.445 -15.535 2.089 166 HB2 ARG 24 1HB ARG 24 7.206 -16.658 2.599 167 HB3 ARG 24 2HB ARG 24 6.093 -16.104 3.843 168 HG2 ARG 24 1HG ARG 24 4.513 -17.843 3.239 169 HG3 ARG 24 2HG ARG 24 5.578 -18.377 1.937 170 HD2 ARG 24 1HD ARG 24 6.013 -19.862 3.692 171 HD3 ARG 24 2HD ARG 24 7.341 -18.704 3.757 172 HE ARG 24 HE ARG 24 5.615 -17.628 5.485 173 HH11 ARG 24 2HH1 ARG 24 6.746 -20.899 5.110 174 HH12 ARG 24 1HH1 ARG 24 6.586 -21.286 6.791 175 HH21 ARG 24 2HH2 ARG 24 5.400 -18.125 7.701 176 HH22 ARG 24 1HH2 ARG 24 5.819 -19.707 8.264 177 H GLN 25 H GLN 25 5.725 -13.913 -0.010 178 HA GLN 25 HA GLN 25 6.299 -11.616 1.558 179 HB2 GLN 25 1HB GLN 25 8.468 -12.668 1.829 180 HB3 GLN 25 2HB GLN 25 8.606 -12.904 0.092 181 HG2 GLN 25 1HG GLN 25 8.743 -10.528 -0.267 182 HG3 GLN 25 2HG GLN 25 8.462 -10.221 1.446 183 HE21 GLN 25 1HE2 GLN 25 10.766 -10.212 -0.808 184 HE22 GLN 25 2HE2 GLN 25 12.154 -10.583 0.152 185 H LEU 26 H LEU 26 6.357 -9.708 0.330 186 HA LEU 26 HA LEU 26 6.327 -9.833 -2.552 187 HB2 LEU 26 1HB LEU 26 3.853 -9.197 -0.968 188 HB3 LEU 26 2HB LEU 26 4.079 -8.645 -2.627 189 HG LEU 26 HG LEU 26 4.001 -11.528 -1.736 190 HD11 LEU 26 1HD1 LEU 26 1.864 -11.472 -3.119 191 HD12 LEU 26 2HD1 LEU 26 1.947 -9.718 -2.966 192 HD13 LEU 26 3HD1 LEU 26 1.811 -10.723 -1.524 193 HD21 LEU 26 1HD2 LEU 26 4.958 -11.971 -3.689 194 HD22 LEU 26 2HD2 LEU 26 4.953 -10.264 -4.132 195 HD23 LEU 26 3HD2 LEU 26 3.550 -11.273 -4.490 196 H GLU 27 H GLU 27 7.274 -8.059 -3.309 197 HA GLU 27 HA GLU 27 7.275 -5.649 -1.612 198 HB2 GLU 27 1HB GLU 27 9.494 -6.669 -1.763 199 HB3 GLU 27 2HB GLU 27 9.411 -6.619 -3.519 200 HG2 GLU 27 1HG GLU 27 9.244 -4.132 -3.357 201 HG3 GLU 27 2HG GLU 27 9.563 -4.286 -1.630 202 H LEU 28 H LEU 28 6.891 -3.674 -2.549 203 HA LEU 28 HA LEU 28 6.304 -3.634 -5.427 204 HB2 LEU 28 1HB LEU 28 4.590 -2.171 -3.450 205 HB3 LEU 28 2HB LEU 28 4.254 -2.540 -5.140 206 HG LEU 28 HG LEU 28 4.461 -4.722 -3.092 207 HD11 LEU 28 1HD1 LEU 28 1.929 -3.260 -3.814 208 HD12 LEU 28 2HD1 LEU 28 2.826 -3.007 -2.317 209 HD13 LEU 28 3HD1 LEU 28 2.116 -4.584 -2.663 210 HD21 LEU 28 1HD2 LEU 28 2.568 -4.816 -5.345 211 HD22 LEU 28 2HD2 LEU 28 3.638 -6.063 -4.705 212 HD23 LEU 28 3HD2 LEU 28 4.276 -4.821 -5.783 213 H THR 29 H THR 29 6.436 -1.550 -6.416 214 HA THR 29 HA THR 29 7.697 0.559 -4.821 215 HB THR 29 HB THR 29 9.617 -0.507 -5.729 216 HG1 THR 29 1HG THR 29 10.238 1.141 -7.384 217 HG21 THR 29 1HG2 THR 29 9.869 -0.990 -8.128 218 HG22 THR 29 2HG2 THR 29 8.211 -0.456 -8.402 219 HG23 THR 29 3HG2 THR 29 8.527 -1.885 -7.419 220 H TRP 30 H TRP 30 6.835 2.485 -5.237 221 HA TRP 30 HA TRP 30 5.532 2.908 -7.844 222 HB2 TRP 30 1HB TRP 30 3.850 4.324 -6.603 223 HB3 TRP 30 2HB TRP 30 3.747 2.594 -6.290 224 HD1 TRP 30 HD TRP 30 4.878 5.865 -4.610 225 HE1 TRP 30 1HE TRP 30 4.924 5.494 -2.064 226 HE3 TRP 30 3HE TRP 30 3.922 0.844 -4.504 227 HZ2 TRP 30 2HZ TRP 30 4.599 3.355 -0.250 228 HZ3 TRP 30 3HZ TRP 30 3.807 -0.289 -2.323 229 HH2 TRP 30 HH TRP 30 4.139 0.943 -0.241 230 H ALA 31 H ALA 31 6.903 4.264 -8.841 231 HA ALA 31 HA ALA 31 7.390 6.855 -7.585 232 HB1 ALA 31 1HB ALA 31 9.637 5.303 -8.856 233 HB2 ALA 31 2HB ALA 31 9.736 6.854 -8.021 234 HB3 ALA 31 3HB ALA 31 9.360 5.388 -7.116 235 H GLY 32 H GLY 32 6.376 8.155 -8.987 236 HA2 GLY 32 1HA GLY 32 6.223 7.582 -11.795 237 HA3 GLY 32 2HA GLY 32 5.627 9.027 -10.991 238 H SER 33 H SER 33 6.827 10.867 -11.024 239 HA SER 33 HA SER 33 9.471 10.709 -12.313 240 HB2 SER 33 1HB SER 33 7.687 11.585 -13.844 241 HB3 SER 33 2HB SER 33 7.457 12.929 -12.726 242 HG SER 33 HG SER 33 10.036 12.376 -13.671 243 H ARG 34 H ARG 34 11.069 12.015 -11.513 244 HA ARG 34 HA ARG 34 10.864 12.857 -8.830 245 HB2 ARG 34 1HB ARG 34 12.996 12.172 -9.723 246 HB3 ARG 34 2HB ARG 34 12.943 13.438 -10.942 247 HG2 ARG 34 1HG ARG 34 12.857 15.045 -8.911 248 HG3 ARG 34 2HG ARG 34 13.474 13.657 -8.013 249 HD2 ARG 34 1HD ARG 34 15.445 14.630 -8.638 250 HD3 ARG 34 2HD ARG 34 15.186 13.558 -10.014 251 HE ARG 34 HE ARG 34 14.046 16.154 -10.401 252 HH11 ARG 34 2HH1 ARG 34 16.984 14.295 -10.587 253 HH12 ARG 34 1HH1 ARG 34 17.711 15.321 -11.779 254 HH21 ARG 34 2HH2 ARG 34 14.993 17.512 -11.970 255 HH22 ARG 34 1HH2 ARG 34 16.579 17.151 -12.564 256 HA PRO 35 HA PRO 35 9.149 16.893 -9.222 257 HB2 PRO 35 1HB PRO 35 10.055 17.964 -6.897 258 HB3 PRO 35 2HB PRO 35 8.748 16.776 -6.962 259 HG2 PRO 35 1HG PRO 35 11.648 16.371 -6.337 260 HG3 PRO 35 2HG PRO 35 10.224 15.679 -5.538 261 HD2 PRO 35 1HD PRO 35 11.700 14.296 -7.338 262 HD3 PRO 35 2HD PRO 35 9.951 14.056 -7.152 263 H ARG 36 H ARG 36 9.755 19.152 -9.373 264 HA ARG 36 HA ARG 36 12.310 19.489 -10.644 265 HB2 ARG 36 1HB ARG 36 10.406 20.635 -11.577 266 HB3 ARG 36 2HB ARG 36 10.073 21.427 -10.042 267 HG2 ARG 36 1HG ARG 36 12.167 22.672 -10.226 268 HG3 ARG 36 2HG ARG 36 12.500 21.877 -11.766 269 HD2 ARG 36 1HD ARG 36 10.806 23.009 -12.865 270 HD3 ARG 36 2HD ARG 36 9.933 23.355 -11.372 271 HE ARG 36 HE ARG 36 12.235 24.746 -11.081 272 HH11 ARG 36 2HH1 ARG 36 9.838 24.584 -13.601 273 HH12 ARG 36 1HH1 ARG 36 10.080 26.220 -14.116 274 HH21 ARG 36 2HH2 ARG 36 12.562 26.902 -11.749 275 HH22 ARG 36 1HH2 ARG 36 11.630 27.538 -13.062 276 H ASN 37 H ASN 37 10.735 20.938 -7.793 277 HA ASN 37 HA ASN 37 13.342 21.931 -6.901 278 HB2 ASN 37 1HB ASN 37 11.834 23.062 -5.116 279 HB3 ASN 37 2HB ASN 37 11.798 23.677 -6.766 280 HD21 ASN 37 1HD2 ASN 37 10.065 22.859 -8.159 281 HD22 ASN 37 2HD2 ASN 37 8.526 22.525 -7.448 282 HA PRO 38 HA PRO 38 13.554 18.431 -4.149 283 HB2 PRO 38 1HB PRO 38 15.904 19.139 -2.989 284 HB3 PRO 38 2HB PRO 38 15.807 18.411 -4.597 285 HG2 PRO 38 1HG PRO 38 16.117 21.290 -3.836 286 HG3 PRO 38 2HG PRO 38 16.946 20.373 -5.108 287 HD2 PRO 38 1HD PRO 38 14.862 22.024 -5.624 288 HD3 PRO 38 2HD PRO 38 15.172 20.552 -6.569 289 H GLY 39 H GLY 39 14.258 18.277 -1.699 290 HA2 GLY 39 1HA GLY 39 13.913 18.902 0.495 291 HA3 GLY 39 2HA GLY 39 13.701 20.556 -0.061 292 H GLY 40 H GLY 40 12.141 17.642 0.904 293 HA2 GLY 40 1HA GLY 40 9.794 18.668 1.758 294 HA3 GLY 40 2HA GLY 40 9.508 18.469 0.036 295 H ASN 41 H ASN 41 10.256 16.783 3.031 296 HA ASN 41 HA ASN 41 10.138 14.162 1.960 297 HB2 ASN 41 1HB ASN 41 9.513 14.923 4.813 298 HB3 ASN 41 2HB ASN 41 10.165 13.399 4.218 299 HD21 ASN 41 1HD2 ASN 41 11.330 14.875 6.268 300 HD22 ASN 41 2HD2 ASN 41 12.867 15.451 5.731 301 H LEU 42 H LEU 42 8.457 12.895 1.480 302 HA LEU 42 HA LEU 42 5.778 13.754 2.357 303 HB2 LEU 42 1HB LEU 42 6.787 12.902 -0.307 304 HB3 LEU 42 2HB LEU 42 5.146 12.446 0.145 305 HG LEU 42 HG LEU 42 6.062 15.302 0.268 306 HD11 LEU 42 1HD1 LEU 42 6.539 14.600 -1.984 307 HD12 LEU 42 2HD1 LEU 42 5.078 15.586 -1.982 308 HD13 LEU 42 3HD1 LEU 42 4.957 13.832 -2.120 309 HD21 LEU 42 1HD2 LEU 42 3.602 13.839 0.707 310 HD22 LEU 42 2HD2 LEU 42 3.402 15.116 -0.493 311 HD23 LEU 42 3HD2 LEU 42 4.014 15.505 1.116 312 H SER 43 H SER 43 4.164 11.993 2.410 313 HA SER 43 HA SER 43 5.417 9.437 3.176 314 HB2 SER 43 1HB SER 43 3.318 9.193 4.643 315 HB3 SER 43 2HB SER 43 4.544 10.345 5.172 316 HG SER 43 HG SER 43 1.986 10.796 4.158 317 H TYR 44 H TYR 44 3.401 7.746 3.334 318 HA TYR 44 HA TYR 44 1.594 7.967 1.097 319 HB2 TYR 44 1HB TYR 44 3.583 5.702 1.026 320 HB3 TYR 44 2HB TYR 44 2.435 6.179 -0.220 321 HD1 TYR 44 1HD TYR 44 5.608 7.069 1.437 322 HD2 TYR 44 2HD TYR 44 2.960 7.906 -1.787 323 HE1 TYR 44 1HE TYR 44 7.346 8.448 0.375 324 HE2 TYR 44 2HE TYR 44 4.691 9.286 -2.859 325 HH TYR 44 HH TYR 44 7.366 9.313 -2.727 326 H GLU 45 H GLU 45 -0.168 6.672 1.323 327 HA GLU 45 HA GLU 45 -0.279 5.062 3.766 328 HB2 GLU 45 1HB GLU 45 -1.973 6.923 3.156 329 HB3 GLU 45 2HB GLU 45 -2.640 5.743 2.037 330 HG2 GLU 45 1HG GLU 45 -3.900 5.665 4.057 331 HG3 GLU 45 2HG GLU 45 -2.948 4.186 3.939 332 H LEU 46 H LEU 46 -0.195 2.923 3.673 333 HA LEU 46 HA LEU 46 -0.727 1.608 1.095 334 HB2 LEU 46 1HB LEU 46 1.551 1.489 2.427 335 HB3 LEU 46 2HB LEU 46 0.697 0.227 3.312 336 HG LEU 46 HG LEU 46 2.178 -0.557 1.436 337 HD11 LEU 46 1HD1 LEU 46 -0.177 -1.544 2.375 338 HD12 LEU 46 2HD1 LEU 46 0.898 -2.385 1.258 339 HD13 LEU 46 3HD1 LEU 46 -0.483 -1.480 0.639 340 HD21 LEU 46 1HD2 LEU 46 0.152 -0.040 -0.588 341 HD22 LEU 46 2HD2 LEU 46 1.906 0.126 -0.671 342 HD23 LEU 46 3HD2 LEU 46 0.927 1.431 0.001 343 H HIS 47 H HIS 47 -2.302 0.126 0.930 344 HA HIS 47 HA HIS 47 -3.520 -0.911 3.395 345 HB2 HIS 47 1HB HIS 47 -4.883 0.972 2.505 346 HB3 HIS 47 2HB HIS 47 -5.078 0.081 0.999 347 HD1 HIS 47 1HD HIS 47 -7.668 0.111 1.436 348 HD2 HIS 47 2HD HIS 47 -5.440 -2.009 4.230 349 HE1 HIS 47 1HE HIS 47 -9.333 -1.279 2.709 350 HE2 HIS 47 2HE HIS 47 -7.972 -2.488 4.450 351 H VAL 48 H VAL 48 -3.250 -3.038 3.357 352 HA VAL 48 HA VAL 48 -3.387 -4.441 0.773 353 HB VAL 48 HB VAL 48 -2.137 -5.354 3.368 354 HG11 VAL 48 1HG1 VAL 48 -3.094 -6.881 1.232 355 HG12 VAL 48 2HG1 VAL 48 -1.343 -6.817 1.021 356 HG13 VAL 48 3HG1 VAL 48 -2.029 -7.411 2.533 357 HG21 VAL 48 1HG2 VAL 48 -0.284 -5.188 1.226 358 HG22 VAL 48 2HG2 VAL 48 -1.157 -3.658 1.309 359 HG23 VAL 48 3HG2 VAL 48 -0.309 -4.267 2.730 360 H LEU 49 H LEU 49 -4.844 -6.039 0.436 361 HA LEU 49 HA LEU 49 -6.602 -6.770 2.684 362 HB2 LEU 49 1HB LEU 49 -7.486 -6.497 -0.179 363 HB3 LEU 49 2HB LEU 49 -8.499 -6.758 1.240 364 HG LEU 49 HG LEU 49 -7.799 -4.472 2.028 365 HD11 LEU 49 1HD1 LEU 49 -6.087 -4.697 -0.247 366 HD12 LEU 49 2HD1 LEU 49 -6.161 -3.422 0.970 367 HD13 LEU 49 3HD1 LEU 49 -7.177 -3.328 -0.468 368 HD21 LEU 49 1HD2 LEU 49 -9.971 -4.828 1.041 369 HD22 LEU 49 2HD2 LEU 49 -9.291 -4.718 -0.582 370 HD23 LEU 49 3HD2 LEU 49 -9.311 -3.297 0.464 371 H ASN 50 H ASN 50 -7.384 -8.886 2.730 372 HA ASN 50 HA ASN 50 -6.373 -10.740 0.701 373 HB2 ASN 50 1HB ASN 50 -4.901 -10.506 2.882 374 HB3 ASN 50 2HB ASN 50 -6.142 -11.547 3.571 375 HD21 ASN 50 1HD2 ASN 50 -5.010 -13.388 3.795 376 HD22 ASN 50 2HD2 ASN 50 -4.305 -14.267 2.485 377 H GLN 51 H GLN 51 -7.256 -13.047 1.266 378 HA GLN 51 HA GLN 51 -9.926 -13.166 0.867 379 HB2 GLN 51 1HB GLN 51 -8.069 -15.061 2.262 380 HB3 GLN 51 2HB GLN 51 -9.784 -15.433 2.149 381 HG2 GLN 51 1HG GLN 51 -9.534 -15.070 -0.355 382 HG3 GLN 51 2HG GLN 51 -7.795 -15.120 -0.071 383 HE21 GLN 51 1HE2 GLN 51 -10.129 -16.920 -1.220 384 HE22 GLN 51 2HE2 GLN 51 -9.653 -18.492 -0.686 385 H ASP 52 H ASP 52 -8.489 -13.652 4.098 386 HA ASP 52 HA ASP 52 -10.911 -12.437 5.250 387 HB2 ASP 52 1HB ASP 52 -9.555 -15.009 5.962 388 HB3 ASP 52 2HB ASP 52 -10.361 -14.085 7.226 389 H GLU 53 H GLU 53 -8.083 -11.520 4.641 390 HA GLU 53 HA GLU 53 -7.582 -10.369 7.291 391 HB2 GLU 53 1HB GLU 53 -5.619 -11.838 5.563 392 HB3 GLU 53 2HB GLU 53 -5.068 -10.562 6.639 393 HG2 GLU 53 1HG GLU 53 -5.716 -11.737 8.554 394 HG3 GLU 53 2HG GLU 53 -6.735 -12.843 7.635 395 H GLU 54 H GLU 54 -7.797 -8.249 7.075 396 HA GLU 54 HA GLU 54 -6.575 -6.939 4.747 397 HB2 GLU 54 1HB GLU 54 -8.808 -6.846 4.097 398 HB3 GLU 54 2HB GLU 54 -9.386 -6.669 5.748 399 HG2 GLU 54 1HG GLU 54 -8.332 -4.386 5.754 400 HG3 GLU 54 2HG GLU 54 -8.074 -4.590 4.022 401 H TRP 55 H TRP 55 -5.018 -5.684 5.516 402 HA TRP 55 HA TRP 55 -5.597 -4.014 7.866 403 HB2 TRP 55 1HB TRP 55 -3.441 -4.418 8.810 404 HB3 TRP 55 2HB TRP 55 -4.136 -5.993 8.440 405 HD1 TRP 55 HD TRP 55 -1.424 -3.565 7.202 406 HE1 TRP 55 1HE TRP 55 0.271 -4.894 5.792 407 HE3 TRP 55 3HE TRP 55 -3.839 -8.069 7.061 408 HZ2 TRP 55 2HZ TRP 55 0.548 -7.505 4.757 409 HZ3 TRP 55 3HZ TRP 55 -2.792 -9.931 5.839 410 HH2 TRP 55 HH TRP 55 -0.644 -9.652 4.711 411 H HIS 56 H HIS 56 -4.247 -2.083 8.014 412 HA HIS 56 HA HIS 56 -3.088 -1.249 5.444 413 HB2 HIS 56 1HB HIS 56 -4.093 1.080 6.083 414 HB3 HIS 56 2HB HIS 56 -5.110 -0.122 5.295 415 HD1 HIS 56 1HD HIS 56 -7.222 0.988 6.335 416 HD2 HIS 56 2HD HIS 56 -4.529 -0.531 9.111 417 HE1 HIS 56 1HE HIS 56 -8.466 0.937 8.520 418 HE2 HIS 56 2HE HIS 56 -6.790 0.095 10.201 419 H GLN 57 H GLN 57 -1.194 -0.193 5.592 420 HA GLN 57 HA GLN 57 -0.389 0.924 8.179 421 HB2 GLN 57 1HB GLN 57 1.788 -0.139 8.068 422 HB3 GLN 57 2HB GLN 57 0.528 -1.365 8.034 423 HG2 GLN 57 1HG GLN 57 0.780 -1.520 5.591 424 HG3 GLN 57 2HG GLN 57 2.094 -0.348 5.675 425 HE21 GLN 57 1HE2 GLN 57 3.943 -1.351 5.369 426 HE22 GLN 57 2HE2 GLN 57 4.417 -2.855 6.075 427 H MET 58 H MET 58 0.525 2.868 7.996 428 HA MET 58 HA MET 58 0.942 3.984 5.366 429 HB2 MET 58 1HB MET 58 -0.133 5.364 7.033 430 HB3 MET 58 2HB MET 58 1.225 5.165 8.133 431 HG2 MET 58 1HG MET 58 1.744 6.344 5.459 432 HG3 MET 58 2HG MET 58 0.927 7.331 6.669 433 HE1 MET 58 1HE MET 58 1.791 8.243 8.639 434 HE2 MET 58 2HE MET 58 3.502 8.496 8.985 435 HE3 MET 58 3HE MET 58 2.783 9.197 7.535 436 H VAL 59 H VAL 59 2.822 4.184 4.332 437 HA VAL 59 HA VAL 59 5.298 3.667 5.847 438 HB VAL 59 HB VAL 59 6.278 2.838 3.739 439 HG11 VAL 59 1HG1 VAL 59 3.901 1.136 3.902 440 HG12 VAL 59 2HG1 VAL 59 5.597 0.751 4.200 441 HG13 VAL 59 3HG1 VAL 59 4.629 1.514 5.463 442 HG21 VAL 59 1HG2 VAL 59 3.691 3.755 2.688 443 HG22 VAL 59 2HG2 VAL 59 5.255 3.609 1.886 444 HG23 VAL 59 3HG2 VAL 59 4.231 2.187 2.087 445 H LEU 60 H LEU 60 6.982 5.058 5.643 446 HA LEU 60 HA LEU 60 6.436 7.637 4.486 447 HB2 LEU 60 1HB LEU 60 8.938 6.587 5.800 448 HB3 LEU 60 2HB LEU 60 8.607 8.273 5.406 449 HG LEU 60 HG LEU 60 6.930 6.679 7.335 450 HD11 LEU 60 1HD1 LEU 60 8.866 8.680 8.328 451 HD12 LEU 60 2HD1 LEU 60 9.519 7.125 7.815 452 HD13 LEU 60 3HD1 LEU 60 8.285 7.191 9.073 453 HD21 LEU 60 1HD2 LEU 60 6.716 9.241 8.082 454 HD22 LEU 60 2HD2 LEU 60 5.640 8.487 6.905 455 HD23 LEU 60 3HD2 LEU 60 7.001 9.467 6.356 456 H GLU 61 H GLU 61 8.239 4.794 3.626 457 HA GLU 61 HA GLU 61 9.606 6.179 1.450 458 HB2 GLU 61 1HB GLU 61 10.812 4.090 1.115 459 HB3 GLU 61 2HB GLU 61 10.886 4.575 2.803 460 HG2 GLU 61 1HG GLU 61 8.736 2.705 1.965 461 HG3 GLU 61 2HG GLU 61 10.384 2.093 2.102 462 HA PRO 62 HA PRO 62 6.723 5.005 -1.650 463 HB2 PRO 62 1HB PRO 62 8.367 4.869 -3.805 464 HB3 PRO 62 2HB PRO 62 7.883 6.398 -3.062 465 HG2 PRO 62 1HG PRO 62 10.420 4.846 -2.721 466 HG3 PRO 62 2HG PRO 62 10.195 6.594 -2.920 467 HD2 PRO 62 1HD PRO 62 10.633 5.447 -0.506 468 HD3 PRO 62 2HD PRO 62 9.635 6.902 -0.706 469 H ARG 63 H ARG 63 8.933 2.923 -0.382 470 HA ARG 63 HA ARG 63 7.975 0.709 -2.071 471 HB2 ARG 63 1HB ARG 63 10.142 -0.416 -1.733 472 HB3 ARG 63 2HB ARG 63 10.316 1.110 -2.590 473 HG2 ARG 63 1HG ARG 63 10.790 2.071 -0.216 474 HG3 ARG 63 2HG ARG 63 11.144 0.388 0.181 475 HD2 ARG 63 1HD ARG 63 12.649 0.428 -1.900 476 HD3 ARG 63 2HD ARG 63 12.507 2.182 -1.800 477 HE ARG 63 HE ARG 63 13.275 1.523 0.691 478 HH11 ARG 63 2HH1 ARG 63 14.504 0.661 -2.451 479 HH12 ARG 63 1HH1 ARG 63 16.140 0.491 -1.908 480 HH21 ARG 63 2HH2 ARG 63 15.426 1.302 1.417 481 HH22 ARG 63 1HH2 ARG 63 16.664 0.855 0.292 482 H VAL 64 H VAL 64 6.961 -0.855 -0.996 483 HA VAL 64 HA VAL 64 7.312 -0.986 1.929 484 HB VAL 64 HB VAL 64 5.062 -0.231 1.250 485 HG11 VAL 64 1HG1 VAL 64 4.733 -1.254 -0.851 486 HG12 VAL 64 2HG1 VAL 64 5.024 -2.867 -0.197 487 HG13 VAL 64 3HG1 VAL 64 3.553 -1.993 0.231 488 HG21 VAL 64 1HG2 VAL 64 5.184 -1.334 3.340 489 HG22 VAL 64 2HG2 VAL 64 3.788 -2.018 2.507 490 HG23 VAL 64 3HG2 VAL 64 5.301 -2.921 2.578 491 H LEU 65 H LEU 65 7.522 -2.980 2.905 492 HA LEU 65 HA LEU 65 7.850 -5.275 1.085 493 HB2 LEU 65 1HB LEU 65 9.936 -4.244 2.175 494 HB3 LEU 65 2HB LEU 65 9.339 -4.960 3.670 495 HG LEU 65 HG LEU 65 11.045 -6.361 2.660 496 HD11 LEU 65 1HD1 LEU 65 9.142 -7.379 3.890 497 HD12 LEU 65 2HD1 LEU 65 9.867 -8.447 2.690 498 HD13 LEU 65 3HD1 LEU 65 8.336 -7.642 2.344 499 HD21 LEU 65 1HD2 LEU 65 9.186 -6.556 0.292 500 HD22 LEU 65 2HD2 LEU 65 10.707 -7.424 0.502 501 HD23 LEU 65 3HD2 LEU 65 10.710 -5.669 0.329 502 H LEU 66 H LEU 66 6.140 -6.554 1.379 503 HA LEU 66 HA LEU 66 5.035 -6.889 4.070 504 HB2 LEU 66 1HB LEU 66 3.945 -7.873 1.439 505 HB3 LEU 66 2HB LEU 66 3.114 -7.876 2.993 506 HG LEU 66 HG LEU 66 3.985 -5.331 1.648 507 HD11 LEU 66 1HD1 LEU 66 1.752 -5.126 0.735 508 HD12 LEU 66 2HD1 LEU 66 1.314 -6.705 1.387 509 HD13 LEU 66 3HD1 LEU 66 2.529 -6.583 0.114 510 HD21 LEU 66 1HD2 LEU 66 2.769 -4.251 3.235 511 HD22 LEU 66 2HD2 LEU 66 3.211 -5.682 4.167 512 HD23 LEU 66 3HD2 LEU 66 1.618 -5.575 3.417 513 H THR 67 H THR 67 5.041 -8.800 5.147 514 HA THR 67 HA THR 67 6.137 -11.161 3.788 515 HB THR 67 HB THR 67 7.477 -11.692 5.822 516 HG1 THR 67 1HG THR 67 7.365 -9.012 6.614 517 HG21 THR 67 1HG2 THR 67 8.320 -9.018 4.741 518 HG22 THR 67 2HG2 THR 67 8.351 -10.471 3.742 519 HG23 THR 67 3HG2 THR 67 9.328 -10.387 5.208 520 H LYS 68 H LYS 68 5.931 -13.139 5.295 521 HA LYS 68 HA LYS 68 4.645 -14.562 6.530 522 HB2 LYS 68 1HB LYS 68 2.991 -12.271 7.540 523 HB3 LYS 68 2HB LYS 68 3.410 -13.774 8.351 524 HG2 LYS 68 1HG LYS 68 5.620 -11.925 7.655 525 HG3 LYS 68 2HG LYS 68 4.544 -11.469 8.977 526 HD2 LYS 68 1HD LYS 68 5.163 -13.274 10.279 527 HD3 LYS 68 2HD LYS 68 5.687 -14.228 8.889 528 HE2 LYS 68 1HE LYS 68 7.129 -11.706 9.576 529 HE3 LYS 68 2HE LYS 68 7.444 -13.167 10.511 530 HZ1 LYS 68 1HZ LYS 68 7.602 -13.100 7.554 531 HZ2 LYS 68 2HZ LYS 68 8.191 -14.291 8.600 532 HZ3 LYS 68 3HZ LYS 68 8.934 -12.772 8.545 533 H LEU 69 H LEU 69 3.928 -13.492 3.835 534 HA LEU 69 HA LEU 69 1.046 -13.514 3.754 535 HB2 LEU 69 1HB LEU 69 2.961 -13.728 1.441 536 HB3 LEU 69 2HB LEU 69 1.271 -13.228 1.392 537 HG LEU 69 HG LEU 69 3.295 -11.628 2.918 538 HD11 LEU 69 1HD1 LEU 69 2.807 -11.633 -0.044 539 HD12 LEU 69 2HD1 LEU 69 4.341 -11.714 0.820 540 HD13 LEU 69 3HD1 LEU 69 3.415 -10.214 0.807 541 HD21 LEU 69 1HD2 LEU 69 1.492 -10.399 3.324 542 HD22 LEU 69 2HD2 LEU 69 0.507 -11.431 2.287 543 HD23 LEU 69 3HD2 LEU 69 1.375 -10.058 1.597 544 H GLN 70 H GLN 70 0.033 -15.003 2.001 545 HA GLN 70 HA GLN 70 0.929 -17.743 2.585 546 HB2 GLN 70 1HB GLN 70 -1.789 -16.608 1.948 547 HB3 GLN 70 2HB GLN 70 -1.455 -18.334 1.894 548 HG2 GLN 70 1HG GLN 70 -0.585 -17.986 4.308 549 HG3 GLN 70 2HG GLN 70 -1.523 -16.495 4.243 550 HE21 GLN 70 1HE2 GLN 70 -2.043 -18.579 6.026 551 HE22 GLN 70 2HE2 GLN 70 -3.584 -19.258 5.642 552 HA PRO 71 HA PRO 71 1.966 -18.325 -1.654 553 HB2 PRO 71 1HB PRO 71 1.816 -21.034 -1.754 554 HB3 PRO 71 2HB PRO 71 3.137 -20.174 -0.954 555 HG2 PRO 71 1HG PRO 71 0.696 -21.430 0.241 556 HG3 PRO 71 2HG PRO 71 2.374 -21.479 0.813 557 HD2 PRO 71 1HD PRO 71 0.520 -19.818 1.879 558 HD3 PRO 71 2HD PRO 71 2.239 -19.390 1.776 559 H ASP 72 H ASP 72 1.004 -18.679 -3.632 560 HA ASP 72 HA ASP 72 -0.732 -18.719 -5.111 561 HB2 ASP 72 1HB ASP 72 -0.473 -21.099 -4.908 562 HB3 ASP 72 2HB ASP 72 -1.383 -21.123 -3.400 563 H THR 73 H THR 73 -1.172 -16.773 -3.333 564 HA THR 73 HA THR 73 -4.080 -16.876 -2.974 565 HB THR 73 HB THR 73 -2.155 -15.869 -0.869 566 HG1 THR 73 1HG THR 73 -3.503 -18.256 -1.261 567 HG21 THR 73 1HG2 THR 73 -5.042 -16.147 -0.300 568 HG22 THR 73 2HG2 THR 73 -4.585 -14.815 -1.363 569 HG23 THR 73 3HG2 THR 73 -3.888 -14.933 0.253 570 H THR 74 H THR 74 -5.077 -15.121 -3.734 571 HA THR 74 HA THR 74 -3.576 -13.034 -4.974 572 HB THR 74 HB THR 74 -6.552 -13.078 -4.454 573 HG1 THR 74 1HG THR 74 -5.505 -14.935 -5.663 574 HG21 THR 74 1HG2 THR 74 -4.870 -11.136 -5.594 575 HG22 THR 74 2HG2 THR 74 -6.633 -11.179 -5.618 576 HG23 THR 74 3HG2 THR 74 -5.714 -11.902 -6.938 577 H TYR 75 H TYR 75 -2.806 -11.256 -4.059 578 HA TYR 75 HA TYR 75 -4.090 -10.274 -1.594 579 HB2 TYR 75 1HB TYR 75 -1.185 -10.401 -2.372 580 HB3 TYR 75 2HB TYR 75 -1.755 -9.291 -1.131 581 HD1 TYR 75 2HD TYR 75 -2.763 -10.189 0.957 582 HD2 TYR 75 1HD TYR 75 -0.947 -12.731 -1.931 583 HE1 TYR 75 2HE TYR 75 -2.623 -11.983 2.633 584 HE2 TYR 75 1HE TYR 75 -0.803 -14.533 -0.263 585 HH TYR 75 HH TYR 75 -1.551 -13.989 3.098 586 H ILE 76 H ILE 76 -5.063 -8.386 -1.838 587 HA ILE 76 HA ILE 76 -4.422 -6.698 -4.118 588 HB ILE 76 HB ILE 76 -6.557 -6.281 -2.025 589 HG12 ILE 76 1HG1 ILE 76 -6.809 -8.438 -3.238 590 HG13 ILE 76 2HG1 ILE 76 -8.114 -7.306 -3.574 591 HG21 ILE 76 1HG2 ILE 76 -6.043 -5.054 -4.723 592 HG22 ILE 76 2HG2 ILE 76 -7.584 -4.919 -3.880 593 HG23 ILE 76 3HG2 ILE 76 -6.123 -4.245 -3.158 594 HD11 ILE 76 1HD1 ILE 76 -7.680 -7.344 -5.744 595 HD12 ILE 76 2HD1 ILE 76 -5.966 -7.024 -5.477 596 HD13 ILE 76 3HD1 ILE 76 -6.573 -8.679 -5.420 597 H VAL 77 H VAL 77 -3.381 -4.796 -4.027 598 HA VAL 77 HA VAL 77 -2.889 -3.572 -1.403 599 HB VAL 77 HB VAL 77 -0.735 -3.916 -3.491 600 HG11 VAL 77 1HG1 VAL 77 -0.884 -1.982 -1.644 601 HG12 VAL 77 2HG1 VAL 77 -0.122 -3.247 -0.678 602 HG13 VAL 77 3HG1 VAL 77 0.641 -2.696 -2.170 603 HG21 VAL 77 1HG2 VAL 77 -1.719 -5.845 -1.720 604 HG22 VAL 77 2HG2 VAL 77 -0.214 -5.903 -2.638 605 HG23 VAL 77 3HG2 VAL 77 -0.222 -5.256 -0.997 606 H ARG 78 H ARG 78 -2.950 -1.383 -1.378 607 HA ARG 78 HA ARG 78 -2.955 0.056 -3.932 608 HB2 ARG 78 1HB ARG 78 -4.906 1.400 -3.155 609 HB3 ARG 78 2HB ARG 78 -5.290 -0.287 -3.472 610 HG2 ARG 78 1HG ARG 78 -5.148 -0.746 -1.056 611 HG3 ARG 78 2HG ARG 78 -4.853 0.971 -0.773 612 HD2 ARG 78 1HD ARG 78 -7.109 0.930 -0.459 613 HD3 ARG 78 2HD ARG 78 -7.069 1.211 -2.199 614 HE ARG 78 HE ARG 78 -7.097 -1.536 -1.825 615 HH11 ARG 78 2HH1 ARG 78 -9.161 1.185 -1.153 616 HH12 ARG 78 1HH1 ARG 78 -10.626 0.268 -1.268 617 HH21 ARG 78 2HH2 ARG 78 -9.019 -2.754 -1.978 618 HH22 ARG 78 1HH2 ARG 78 -10.544 -1.973 -1.736 619 H VAL 79 H VAL 79 -1.550 1.670 -3.843 620 HA VAL 79 HA VAL 79 -0.965 2.885 -1.221 621 HB VAL 79 HB VAL 79 0.899 1.579 -2.383 622 HG11 VAL 79 1HG1 VAL 79 1.716 2.208 -4.372 623 HG12 VAL 79 2HG1 VAL 79 0.181 3.058 -4.565 624 HG13 VAL 79 3HG1 VAL 79 1.603 3.924 -3.983 625 HG21 VAL 79 1HG2 VAL 79 2.228 4.064 -2.089 626 HG22 VAL 79 2HG2 VAL 79 0.909 4.018 -0.919 627 HG23 VAL 79 3HG2 VAL 79 2.120 2.736 -0.934 628 H ARG 80 H ARG 80 -0.729 5.119 -1.090 629 HA ARG 80 HA ARG 80 -1.172 6.728 -3.473 630 HB2 ARG 80 1HB ARG 80 -3.021 7.991 -2.357 631 HB3 ARG 80 2HB ARG 80 -3.440 6.342 -2.800 632 HG2 ARG 80 1HG ARG 80 -4.308 6.408 -0.702 633 HG3 ARG 80 2HG ARG 80 -2.677 5.852 -0.324 634 HD2 ARG 80 1HD ARG 80 -2.819 7.555 1.175 635 HD3 ARG 80 2HD ARG 80 -2.231 8.468 -0.214 636 HE ARG 80 HE ARG 80 -4.295 9.489 -0.396 637 HH11 ARG 80 2HH1 ARG 80 -4.422 6.914 1.944 638 HH12 ARG 80 1HH1 ARG 80 -5.969 7.381 2.568 639 HH21 ARG 80 2HH2 ARG 80 -6.332 10.114 0.417 640 HH22 ARG 80 1HH2 ARG 80 -7.055 9.201 1.698 641 H THR 81 H THR 81 -0.190 8.678 -3.371 642 HA THR 81 HA THR 81 1.568 9.184 -1.159 643 HB THR 81 HB THR 81 1.037 11.066 -3.455 644 HG1 THR 81 1HG THR 81 1.696 8.658 -3.851 645 HG21 THR 81 1HG2 THR 81 3.476 11.571 -3.071 646 HG22 THR 81 2HG2 THR 81 3.372 10.594 -1.606 647 HG23 THR 81 3HG2 THR 81 2.396 12.054 -1.764 648 H LEU 82 H LEU 82 1.236 10.465 0.542 649 HA LEU 82 HA LEU 82 -1.282 11.899 0.749 650 HB2 LEU 82 1HB LEU 82 0.734 10.844 2.602 651 HB3 LEU 82 2HB LEU 82 0.022 12.381 3.088 652 HG LEU 82 HG LEU 82 -2.201 11.383 3.037 653 HD11 LEU 82 1HD1 LEU 82 -0.715 8.936 2.122 654 HD12 LEU 82 2HD1 LEU 82 -2.046 9.769 1.320 655 HD13 LEU 82 3HD1 LEU 82 -2.337 8.874 2.812 656 HD21 LEU 82 1HD2 LEU 82 -0.272 10.987 4.927 657 HD22 LEU 82 2HD2 LEU 82 -0.833 9.342 4.626 658 HD23 LEU 82 3HD2 LEU 82 -1.979 10.589 5.119 659 H THR 83 H THR 83 -1.313 14.101 1.674 660 HA THR 83 HA THR 83 1.059 15.712 1.118 661 HB THR 83 HB THR 83 0.222 16.958 -0.567 662 HG1 THR 83 1HG THR 83 -2.488 16.585 0.130 663 HG21 THR 83 1HG2 THR 83 -1.899 14.872 -0.945 664 HG22 THR 83 2HG2 THR 83 -0.193 14.461 -1.123 665 HG23 THR 83 3HG2 THR 83 -0.915 15.693 -2.157 666 HA PRO 84 HA PRO 84 -0.188 18.086 4.593 667 HB2 PRO 84 1HB PRO 84 0.493 20.611 3.865 668 HB3 PRO 84 2HB PRO 84 1.688 19.374 4.273 669 HG2 PRO 84 1HG PRO 84 0.757 20.294 1.581 670 HG3 PRO 84 2HG PRO 84 2.404 19.940 2.135 671 HD2 PRO 84 1HD PRO 84 0.957 18.191 0.659 672 HD3 PRO 84 2HD PRO 84 2.138 17.665 1.875 673 H LEU 85 H LEU 85 -1.455 18.994 1.469 674 HA LEU 85 HA LEU 85 -3.811 20.145 2.808 675 HB2 LEU 85 1HB LEU 85 -3.941 21.391 0.461 676 HB3 LEU 85 2HB LEU 85 -3.085 22.056 1.850 677 HG LEU 85 HG LEU 85 -0.967 21.211 0.927 678 HD11 LEU 85 1HD1 LEU 85 -1.935 19.315 -0.327 679 HD12 LEU 85 2HD1 LEU 85 -0.852 20.308 -1.302 680 HD13 LEU 85 3HD1 LEU 85 -2.599 20.460 -1.493 681 HD21 LEU 85 1HD2 LEU 85 -2.300 23.445 0.226 682 HD22 LEU 85 2HD2 LEU 85 -2.072 22.706 -1.360 683 HD23 LEU 85 3HD2 LEU 85 -0.676 23.054 -0.339 684 H GLY 86 H GLY 86 -4.980 18.229 2.706 685 HA2 GLY 86 1HA GLY 86 -6.518 16.813 1.745 686 HA3 GLY 86 2HA GLY 86 -6.386 17.771 0.277 687 HA PRO 87 HA PRO 87 -3.233 14.042 0.274 688 HB2 PRO 87 1HB PRO 87 -4.331 11.817 1.375 689 HB3 PRO 87 2HB PRO 87 -3.336 12.953 2.295 690 HG2 PRO 87 1HG PRO 87 -6.318 12.722 2.165 691 HG3 PRO 87 2HG PRO 87 -5.276 12.985 3.576 692 HD2 PRO 87 1HD PRO 87 -6.625 14.997 2.366 693 HD3 PRO 87 2HD PRO 87 -5.048 15.238 3.146 694 H GLY 88 H GLY 88 -3.188 12.822 -1.547 695 HA2 GLY 88 1HA GLY 88 -5.336 12.825 -3.333 696 HA3 GLY 88 2HA GLY 88 -3.914 11.802 -3.470 697 HA PRO 89 HA PRO 89 -7.867 9.362 -2.452 698 HB2 PRO 89 1HB PRO 89 -8.264 8.240 -4.892 699 HB3 PRO 89 2HB PRO 89 -8.991 9.778 -4.412 700 HG2 PRO 89 1HG PRO 89 -6.552 9.273 -6.071 701 HG3 PRO 89 2HG PRO 89 -7.855 10.447 -6.327 702 HD2 PRO 89 1HD PRO 89 -5.464 11.135 -5.259 703 HD3 PRO 89 2HD PRO 89 -6.980 11.940 -4.805 704 H PHE 90 H PHE 90 -8.126 6.892 -3.206 705 HA PHE 90 HA PHE 90 -5.517 5.674 -2.665 706 HB2 PHE 90 1HB PHE 90 -8.341 4.909 -2.114 707 HB3 PHE 90 2HB PHE 90 -7.183 3.608 -2.371 708 HD1 PHE 90 2HD PHE 90 -5.160 3.473 -0.897 709 HD2 PHE 90 1HD PHE 90 -8.420 6.088 -0.088 710 HE1 PHE 90 2HE PHE 90 -4.412 3.679 1.437 711 HE2 PHE 90 1HE PHE 90 -7.676 6.299 2.248 712 HZ PHE 90 HZ PHE 90 -5.670 5.092 3.014 713 H SER 91 H SER 91 -4.575 4.210 -4.003 714 HA SER 91 HA SER 91 -5.175 4.259 -6.737 715 HB2 SER 91 1HB SER 91 -3.342 2.866 -7.025 716 HB3 SER 91 2HB SER 91 -2.985 3.581 -5.453 717 HG SER 91 HG SER 91 -3.672 0.983 -6.109 718 HA PRO 92 HA PRO 92 -8.291 1.228 -7.342 719 HB2 PRO 92 1HB PRO 92 -7.569 0.191 -9.744 720 HB3 PRO 92 2HB PRO 92 -8.259 1.808 -9.565 721 HG2 PRO 92 1HG PRO 92 -5.394 0.995 -9.871 722 HG3 PRO 92 2HG PRO 92 -6.265 2.336 -10.639 723 HD2 PRO 92 1HD PRO 92 -4.640 2.687 -8.501 724 HD3 PRO 92 2HD PRO 92 -6.082 3.684 -8.778 725 H ASP 93 H ASP 93 -8.664 -0.815 -6.709 726 HA ASP 93 HA ASP 93 -6.891 -2.449 -5.490 727 HB2 ASP 93 1HB ASP 93 -9.096 -3.605 -7.191 728 HB3 ASP 93 2HB ASP 93 -8.463 -4.217 -5.665 729 H HIS 94 H HIS 94 -5.091 -3.436 -6.090 730 HA HIS 94 HA HIS 94 -4.697 -4.072 -8.928 731 HB2 HIS 94 1HB HIS 94 -2.855 -3.407 -6.673 732 HB3 HIS 94 2HB HIS 94 -2.250 -4.425 -7.977 733 HD1 HIS 94 1HD HIS 94 -3.815 -1.006 -7.478 734 HD2 HIS 94 2HD HIS 94 -1.417 -3.058 -10.179 735 HE1 HIS 94 1HE HIS 94 -3.075 0.711 -9.159 736 HE2 HIS 94 2HE HIS 94 -1.695 -0.571 -10.831 737 H GLU 95 H GLU 95 -5.331 -6.085 -9.383 738 HA GLU 95 HA GLU 95 -5.390 -8.203 -7.500 739 HB2 GLU 95 1HB GLU 95 -6.811 -7.970 -9.593 740 HB3 GLU 95 2HB GLU 95 -5.403 -8.502 -10.502 741 HG2 GLU 95 1HG GLU 95 -5.434 -10.521 -8.876 742 HG3 GLU 95 2HG GLU 95 -7.101 -10.030 -8.583 743 H PHE 96 H PHE 96 -3.554 -8.935 -6.626 744 HA PHE 96 HA PHE 96 -1.318 -9.567 -8.438 745 HB2 PHE 96 1HB PHE 96 -1.298 -8.709 -5.543 746 HB3 PHE 96 2HB PHE 96 0.111 -9.389 -6.351 747 HD1 PHE 96 1HD PHE 96 0.385 -8.191 -8.837 748 HD2 PHE 96 2HD PHE 96 -1.184 -6.443 -5.288 749 HE1 PHE 96 1HE PHE 96 0.982 -5.956 -9.677 750 HE2 PHE 96 2HE PHE 96 -0.591 -4.206 -6.122 751 HZ PHE 96 HZ PHE 96 0.493 -3.960 -8.320 752 H ARG 97 H ARG 97 -0.189 -11.513 -8.118 753 HA ARG 97 HA ARG 97 -1.531 -13.475 -6.380 754 HB2 ARG 97 1HB ARG 97 -1.924 -13.594 -8.979 755 HB3 ARG 97 2HB ARG 97 -0.323 -14.322 -8.982 756 HG2 ARG 97 1HG ARG 97 -1.025 -16.214 -7.913 757 HG3 ARG 97 2HG ARG 97 -2.353 -15.389 -7.093 758 HD2 ARG 97 1HD ARG 97 -3.305 -16.837 -8.731 759 HD3 ARG 97 2HD ARG 97 -3.483 -15.182 -9.314 760 HE ARG 97 HE ARG 97 -1.126 -16.537 -10.272 761 HH11 ARG 97 2HH1 ARG 97 -4.496 -15.864 -10.826 762 HH12 ARG 97 1HH1 ARG 97 -4.410 -16.164 -12.530 763 HH21 ARG 97 2HH2 ARG 97 -1.000 -16.935 -12.515 764 HH22 ARG 97 1HH2 ARG 97 -2.421 -16.774 -13.490 765 H THR 98 H THR 98 -0.228 -14.679 -5.132 766 HA THR 98 HA THR 98 2.593 -14.081 -5.111 767 HB THR 98 HB THR 98 2.679 -15.562 -3.132 768 HG1 THR 98 1HG THR 98 0.671 -16.419 -2.372 769 HG21 THR 98 1HG2 THR 98 0.621 -14.202 -1.966 770 HG22 THR 98 2HG2 THR 98 0.937 -13.214 -3.392 771 HG23 THR 98 3HG2 THR 98 2.233 -13.543 -2.241 772 H SER 99 H SER 99 4.161 -15.950 -4.793 773 HA SER 99 HA SER 99 4.187 -17.526 -7.131 774 HB2 SER 99 1HB SER 99 6.159 -16.734 -5.630 775 HB3 SER 99 2HB SER 99 5.833 -18.200 -4.706 776 HG SER 99 HG SER 99 7.218 -18.912 -6.187 777 HA PRO 100 HA PRO 100 1.771 -21.018 -5.969 778 HB2 PRO 100 1HB PRO 100 2.804 -22.841 -7.695 779 HB3 PRO 100 2HB PRO 100 1.725 -21.537 -8.206 780 HG2 PRO 100 1HG PRO 100 4.710 -21.697 -8.365 781 HG3 PRO 100 2HG PRO 100 3.555 -21.109 -9.575 782 HD2 PRO 100 1HD PRO 100 4.973 -19.440 -7.983 783 HD3 PRO 100 2HD PRO 100 3.336 -19.055 -8.552 784 HA PRO 101 HA PRO 101 4.326 -23.103 -2.993 785 HB2 PRO 101 1HB PRO 101 2.452 -24.868 -2.133 786 HB3 PRO 101 2HB PRO 101 2.451 -23.163 -1.666 787 HG2 PRO 101 1HG PRO 101 0.843 -24.550 -3.776 788 HG3 PRO 101 2HG PRO 101 0.327 -23.329 -2.598 789 HD2 PRO 101 1HD PRO 101 0.880 -22.722 -5.178 790 HD3 PRO 101 2HD PRO 101 1.173 -21.586 -3.846 791 H SER 102 H SER 102 2.589 -24.718 -5.569 792 HA SER 102 HA SER 102 4.737 -26.663 -5.795 793 HB2 SER 102 1HB SER 102 3.336 -28.603 -5.716 794 HB3 SER 102 2HB SER 102 2.983 -27.661 -4.268 795 HG SER 102 HG SER 102 1.178 -26.776 -5.480 796 H GLY 103 H GLY 103 5.177 -27.151 -7.868 797 HA2 GLY 103 1HA GLY 103 3.275 -27.250 -9.954 798 HA3 GLY 103 2HA GLY 103 4.069 -25.683 -9.969 799 HA PRO 104 HA PRO 104 6.761 -29.329 -11.692 800 HB2 PRO 104 1HB PRO 104 5.711 -29.787 -14.154 801 HB3 PRO 104 2HB PRO 104 5.229 -30.699 -12.719 802 HG2 PRO 104 1HG PRO 104 3.858 -28.393 -14.046 803 HG3 PRO 104 2HG PRO 104 3.158 -29.887 -13.398 804 HD2 PRO 104 1HD PRO 104 3.090 -27.541 -12.048 805 HD3 PRO 104 2HD PRO 104 3.196 -29.112 -11.228 806 H SER 105 H SER 105 8.574 -28.458 -12.453 807 HA SER 105 HA SER 105 8.597 -25.914 -13.751 808 HB2 SER 105 1HB SER 105 10.709 -27.912 -12.988 809 HB3 SER 105 2HB SER 105 11.114 -26.534 -14.011 810 HG SER 105 HG SER 105 10.110 -25.230 -12.298 811 H SER 106 H SER 106 9.886 -25.570 -15.792 812 HA SER 106 HA SER 106 8.922 -27.457 -17.813 813 HB2 SER 106 1HB SER 106 10.048 -24.671 -18.186 814 HB3 SER 106 2HB SER 106 9.267 -25.659 -19.420 815 HG SER 106 HG SER 106 7.896 -25.064 -17.043 816 H GLY 107 H GLY 107 11.876 -25.723 -16.867 817 HA2 GLY 107 1HA GLY 107 13.414 -27.774 -18.338 818 HA3 GLY 107 2HA GLY 107 13.885 -26.081 -18.324 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.644 25.286 -17.333 2 HA2 GLY 1 1HA GLY 1 -7.784 25.771 -18.457 3 HA3 GLY 1 2HA GLY 1 -7.598 24.039 -18.218 4 H SER 2 H SER 2 -8.307 23.406 -15.836 5 HA SER 2 HA SER 2 -10.830 24.786 -15.221 6 HB2 SER 2 1HB SER 2 -10.441 21.793 -15.463 7 HB3 SER 2 2HB SER 2 -11.898 22.571 -14.844 8 HG SER 2 HG SER 2 -11.035 23.493 -17.296 9 H SER 3 H SER 3 -11.725 24.007 -13.059 10 HA SER 3 HA SER 3 -9.808 24.509 -11.056 11 HB2 SER 3 1HB SER 3 -12.146 25.078 -10.714 12 HB3 SER 3 2HB SER 3 -12.610 23.381 -10.841 13 HG SER 3 HG SER 3 -11.899 24.698 -8.672 14 H GLY 4 H GLY 4 -8.235 23.163 -10.484 15 HA2 GLY 4 1HA GLY 4 -8.300 20.911 -9.104 16 HA3 GLY 4 2HA GLY 4 -8.638 20.277 -10.708 17 H SER 5 H SER 5 -6.969 21.847 -12.260 18 HA SER 5 HA SER 5 -4.306 21.093 -11.247 19 HB2 SER 5 1HB SER 5 -5.363 19.813 -13.270 20 HB3 SER 5 2HB SER 5 -4.913 21.254 -14.182 21 HG SER 5 HG SER 5 -3.248 19.434 -12.811 22 H SER 6 H SER 6 -5.381 23.592 -10.693 23 HA SER 6 HA SER 6 -4.903 25.647 -12.472 24 HB2 SER 6 1HB SER 6 -5.973 25.944 -10.262 25 HB3 SER 6 2HB SER 6 -4.409 25.701 -9.484 26 HG SER 6 HG SER 6 -3.739 27.625 -10.182 27 H GLY 7 H GLY 7 -2.623 24.373 -10.039 28 HA2 GLY 7 1HA GLY 7 -0.440 25.763 -11.414 29 HA3 GLY 7 2HA GLY 7 -0.357 25.033 -9.818 30 H ALA 8 H ALA 8 1.394 23.734 -10.105 31 HA ALA 8 HA ALA 8 1.139 21.637 -12.163 32 HB1 ALA 8 1HB ALA 8 3.339 21.781 -12.716 33 HB2 ALA 8 2HB ALA 8 3.073 23.455 -12.227 34 HB3 ALA 8 3HB ALA 8 3.825 22.319 -11.108 35 H GLU 9 H GLU 9 0.328 19.959 -11.022 36 HA GLU 9 HA GLU 9 2.043 18.700 -9.081 37 HB2 GLU 9 1HB GLU 9 -0.487 20.059 -8.285 38 HB3 GLU 9 2HB GLU 9 -0.117 18.512 -7.537 39 HG2 GLU 9 1HG GLU 9 2.227 19.670 -7.150 40 HG3 GLU 9 2HG GLU 9 1.246 21.130 -7.263 41 H SER 10 H SER 10 2.115 16.750 -9.993 42 HA SER 10 HA SER 10 -0.440 15.444 -10.665 43 HB2 SER 10 1HB SER 10 0.491 14.456 -12.589 44 HB3 SER 10 2HB SER 10 1.087 16.115 -12.632 45 HG SER 10 HG SER 10 2.463 13.752 -11.947 46 H LEU 11 H LEU 11 -0.004 12.952 -10.902 47 HA LEU 11 HA LEU 11 1.100 12.113 -8.347 48 HB2 LEU 11 1HB LEU 11 -1.153 11.385 -9.303 49 HB3 LEU 11 2HB LEU 11 -0.224 10.352 -10.388 50 HG LEU 11 HG LEU 11 0.697 9.160 -8.449 51 HD11 LEU 11 1HD1 LEU 11 -0.882 9.728 -6.323 52 HD12 LEU 11 2HD1 LEU 11 -0.655 11.335 -7.013 53 HD13 LEU 11 3HD1 LEU 11 0.746 10.366 -6.556 54 HD21 LEU 11 1HD2 LEU 11 -1.332 7.979 -7.828 55 HD22 LEU 11 2HD2 LEU 11 -1.344 8.356 -9.552 56 HD23 LEU 11 3HD2 LEU 11 -2.316 9.313 -8.433 57 H SER 12 H SER 12 3.221 11.742 -8.306 58 HA SER 12 HA SER 12 5.047 11.401 -10.215 59 HB2 SER 12 1HB SER 12 5.786 11.362 -7.954 60 HB3 SER 12 2HB SER 12 4.852 9.909 -7.598 61 HG SER 12 HG SER 12 6.456 8.754 -8.293 62 H GLY 13 H GLY 13 2.913 8.823 -9.060 63 HA2 GLY 13 1HA GLY 13 2.477 7.501 -11.378 64 HA3 GLY 13 2HA GLY 13 4.044 6.882 -10.879 65 H LEU 14 H LEU 14 3.665 6.803 -8.112 66 HA LEU 14 HA LEU 14 3.124 5.041 -6.703 67 HB2 LEU 14 1HB LEU 14 0.494 6.365 -7.341 68 HB3 LEU 14 2HB LEU 14 0.742 5.253 -5.997 69 HG LEU 14 HG LEU 14 1.650 8.074 -6.325 70 HD11 LEU 14 1HD1 LEU 14 0.076 6.451 -4.439 71 HD12 LEU 14 2HD1 LEU 14 -0.099 8.142 -4.909 72 HD13 LEU 14 3HD1 LEU 14 1.115 7.680 -3.716 73 HD21 LEU 14 1HD2 LEU 14 3.034 5.987 -4.646 74 HD22 LEU 14 2HD2 LEU 14 3.240 7.727 -4.448 75 HD23 LEU 14 3HD2 LEU 14 3.737 6.945 -5.950 76 H SER 15 H SER 15 3.482 3.920 -9.174 77 HA SER 15 HA SER 15 1.156 2.228 -9.691 78 HB2 SER 15 1HB SER 15 2.374 1.492 -11.688 79 HB3 SER 15 2HB SER 15 2.302 3.253 -11.621 80 HG SER 15 HG SER 15 4.502 2.022 -10.440 81 H LEU 16 H LEU 16 1.043 0.654 -8.185 82 HA LEU 16 HA LEU 16 3.180 -0.579 -6.885 83 HB2 LEU 16 1HB LEU 16 0.435 -1.669 -7.488 84 HB3 LEU 16 2HB LEU 16 1.569 -2.369 -6.334 85 HG LEU 16 HG LEU 16 0.662 0.463 -6.006 86 HD11 LEU 16 1HD1 LEU 16 -0.833 -1.834 -4.792 87 HD12 LEU 16 2HD1 LEU 16 -1.310 -1.140 -6.341 88 HD13 LEU 16 3HD1 LEU 16 -1.296 -0.135 -4.892 89 HD21 LEU 16 1HD2 LEU 16 1.122 0.033 -3.687 90 HD22 LEU 16 2HD2 LEU 16 2.512 -0.477 -4.646 91 HD23 LEU 16 3HD2 LEU 16 1.388 -1.680 -4.014 92 H LYS 17 H LYS 17 4.807 -1.546 -7.917 93 HA LYS 17 HA LYS 17 4.189 -3.338 -10.166 94 HB2 LYS 17 1HB LYS 17 5.738 -1.639 -10.820 95 HB3 LYS 17 2HB LYS 17 6.721 -1.895 -9.385 96 HG2 LYS 17 1HG LYS 17 7.987 -3.012 -10.896 97 HG3 LYS 17 2HG LYS 17 6.920 -4.330 -10.404 98 HD2 LYS 17 1HD LYS 17 5.768 -4.316 -12.378 99 HD3 LYS 17 2HD LYS 17 6.042 -2.594 -12.651 100 HE2 LYS 17 1HE LYS 17 8.356 -3.037 -13.248 101 HE3 LYS 17 2HE LYS 17 8.135 -4.753 -12.907 102 HZ1 LYS 17 1HZ LYS 17 7.661 -3.403 -15.301 103 HZ2 LYS 17 2HZ LYS 17 6.161 -3.931 -14.724 104 HZ3 LYS 17 3HZ LYS 17 7.414 -5.042 -14.964 105 H LEU 18 H LEU 18 4.780 -5.459 -10.133 106 HA LEU 18 HA LEU 18 5.452 -6.573 -7.543 107 HB2 LEU 18 1HB LEU 18 3.694 -7.621 -8.820 108 HB3 LEU 18 2HB LEU 18 4.783 -7.860 -10.185 109 HG LEU 18 HG LEU 18 6.097 -9.443 -8.821 110 HD11 LEU 18 1HD1 LEU 18 5.648 -8.623 -6.611 111 HD12 LEU 18 2HD1 LEU 18 5.076 -10.288 -6.723 112 HD13 LEU 18 3HD1 LEU 18 3.925 -8.954 -6.791 113 HD21 LEU 18 1HD2 LEU 18 3.909 -9.951 -10.225 114 HD22 LEU 18 2HD2 LEU 18 3.306 -10.440 -8.642 115 HD23 LEU 18 3HD2 LEU 18 4.745 -11.208 -9.314 116 H VAL 19 H VAL 19 7.592 -6.144 -7.155 117 HA VAL 19 HA VAL 19 9.615 -6.702 -9.137 118 HB VAL 19 HB VAL 19 11.073 -6.336 -6.921 119 HG11 VAL 19 1HG1 VAL 19 10.855 -4.978 -9.096 120 HG12 VAL 19 2HG1 VAL 19 9.759 -3.949 -8.172 121 HG13 VAL 19 3HG1 VAL 19 11.431 -4.152 -7.648 122 HG21 VAL 19 1HG2 VAL 19 10.068 -5.070 -5.268 123 HG22 VAL 19 2HG2 VAL 19 8.733 -4.576 -6.309 124 HG23 VAL 19 3HG2 VAL 19 8.793 -6.219 -5.672 125 H LYS 20 H LYS 20 8.679 -8.056 -5.984 126 HA LYS 20 HA LYS 20 10.083 -10.535 -6.739 127 HB2 LYS 20 1HB LYS 20 11.027 -9.095 -4.790 128 HB3 LYS 20 2HB LYS 20 9.659 -9.722 -3.879 129 HG2 LYS 20 1HG LYS 20 11.321 -11.213 -3.336 130 HG3 LYS 20 2HG LYS 20 10.522 -12.037 -4.677 131 HD2 LYS 20 1HD LYS 20 12.226 -11.178 -6.214 132 HD3 LYS 20 2HD LYS 20 13.025 -10.361 -4.869 133 HE2 LYS 20 1HE LYS 20 14.215 -12.375 -5.232 134 HE3 LYS 20 2HE LYS 20 13.247 -12.623 -3.780 135 HZ1 LYS 20 1HZ LYS 20 11.918 -14.125 -4.807 136 HZ2 LYS 20 2HZ LYS 20 13.317 -14.381 -5.723 137 HZ3 LYS 20 3HZ LYS 20 12.072 -13.413 -6.335 138 H LYS 21 H LYS 21 8.705 -12.130 -7.108 139 HA LYS 21 HA LYS 21 6.081 -12.087 -5.794 140 HB2 LYS 21 1HB LYS 21 6.139 -12.202 -8.272 141 HB3 LYS 21 2HB LYS 21 7.011 -13.725 -8.160 142 HG2 LYS 21 1HG LYS 21 4.923 -14.394 -6.682 143 HG3 LYS 21 2HG LYS 21 4.154 -13.127 -7.641 144 HD2 LYS 21 1HD LYS 21 5.788 -15.209 -9.020 145 HD3 LYS 21 2HD LYS 21 4.161 -15.616 -8.470 146 HE2 LYS 21 1HE LYS 21 3.737 -14.868 -10.603 147 HE3 LYS 21 2HE LYS 21 3.515 -13.388 -9.672 148 HZ1 LYS 21 1HZ LYS 21 6.193 -13.473 -10.303 149 HZ2 LYS 21 2HZ LYS 21 5.020 -12.467 -10.991 150 HZ3 LYS 21 3HZ LYS 21 5.399 -13.946 -11.720 151 H GLU 22 H GLU 22 6.703 -12.928 -3.784 152 HA GLU 22 HA GLU 22 7.652 -15.716 -3.822 153 HB2 GLU 22 1HB GLU 22 7.843 -13.630 -1.643 154 HB3 GLU 22 2HB GLU 22 8.332 -15.308 -1.458 155 HG2 GLU 22 1HG GLU 22 9.494 -13.616 -3.630 156 HG3 GLU 22 2HG GLU 22 10.117 -13.530 -1.983 157 HA PRO 23 HA PRO 23 3.818 -17.117 -2.204 158 HB2 PRO 23 1HB PRO 23 4.643 -19.248 -0.739 159 HB3 PRO 23 2HB PRO 23 4.618 -19.249 -2.506 160 HG2 PRO 23 1HG PRO 23 6.917 -18.791 -0.644 161 HG3 PRO 23 2HG PRO 23 6.857 -19.754 -2.132 162 HD2 PRO 23 1HD PRO 23 7.911 -17.261 -2.052 163 HD3 PRO 23 2HD PRO 23 7.089 -17.904 -3.488 164 H ARG 24 H ARG 24 6.426 -16.298 -0.044 165 HA ARG 24 HA ARG 24 4.456 -15.828 2.096 166 HB2 ARG 24 1HB ARG 24 7.331 -16.709 2.417 167 HB3 ARG 24 2HB ARG 24 6.235 -16.314 3.734 168 HG2 ARG 24 1HG ARG 24 4.929 -18.213 3.377 169 HG3 ARG 24 2HG ARG 24 5.578 -18.464 1.755 170 HD2 ARG 24 1HD ARG 24 7.712 -19.111 2.654 171 HD3 ARG 24 2HD ARG 24 7.194 -18.700 4.288 172 HE ARG 24 HE ARG 24 5.457 -20.633 3.201 173 HH11 ARG 24 2HH1 ARG 24 8.703 -20.282 4.408 174 HH12 ARG 24 1HH1 ARG 24 8.829 -21.931 4.925 175 HH21 ARG 24 2HH2 ARG 24 5.610 -22.806 3.877 176 HH22 ARG 24 1HH2 ARG 24 7.069 -23.366 4.622 177 H GLN 25 H GLN 25 6.118 -14.274 -0.120 178 HA GLN 25 HA GLN 25 6.361 -11.877 1.499 179 HB2 GLN 25 1HB GLN 25 8.613 -13.243 1.347 180 HB3 GLN 25 2HB GLN 25 8.704 -12.503 -0.246 181 HG2 GLN 25 1HG GLN 25 8.345 -10.283 0.944 182 HG3 GLN 25 2HG GLN 25 8.682 -11.162 2.434 183 HE21 GLN 25 1HE2 GLN 25 10.697 -11.042 3.080 184 HE22 GLN 25 2HE2 GLN 25 12.087 -10.852 2.072 185 H LEU 26 H LEU 26 6.519 -9.931 0.227 186 HA LEU 26 HA LEU 26 6.312 -10.063 -2.633 187 HB2 LEU 26 1HB LEU 26 3.908 -9.756 -0.926 188 HB3 LEU 26 2HB LEU 26 4.022 -8.728 -2.353 189 HG LEU 26 HG LEU 26 3.890 -11.733 -2.240 190 HD11 LEU 26 1HD1 LEU 26 1.730 -10.847 -2.168 191 HD12 LEU 26 2HD1 LEU 26 1.993 -11.209 -3.873 192 HD13 LEU 26 3HD1 LEU 26 2.125 -9.549 -3.294 193 HD21 LEU 26 1HD2 LEU 26 5.251 -11.731 -4.016 194 HD22 LEU 26 2HD2 LEU 26 5.099 -9.989 -4.251 195 HD23 LEU 26 3HD2 LEU 26 3.867 -11.077 -4.893 196 H GLU 27 H GLU 27 7.492 -8.387 -3.252 197 HA GLU 27 HA GLU 27 7.460 -5.947 -1.612 198 HB2 GLU 27 1HB GLU 27 9.657 -7.062 -1.932 199 HB3 GLU 27 2HB GLU 27 9.501 -6.815 -3.666 200 HG2 GLU 27 1HG GLU 27 9.335 -4.345 -3.169 201 HG3 GLU 27 2HG GLU 27 9.829 -4.739 -1.524 202 H LEU 28 H LEU 28 7.194 -3.924 -2.566 203 HA LEU 28 HA LEU 28 6.414 -3.875 -5.393 204 HB2 LEU 28 1HB LEU 28 4.844 -2.422 -3.284 205 HB3 LEU 28 2HB LEU 28 4.427 -2.665 -4.979 206 HG LEU 28 HG LEU 28 4.532 -4.866 -2.919 207 HD11 LEU 28 1HD1 LEU 28 2.012 -3.761 -4.078 208 HD12 LEU 28 2HD1 LEU 28 2.755 -2.985 -2.680 209 HD13 LEU 28 3HD1 LEU 28 2.259 -4.675 -2.590 210 HD21 LEU 28 1HD2 LEU 28 2.977 -5.110 -5.412 211 HD22 LEU 28 2HD2 LEU 28 3.939 -6.310 -4.549 212 HD23 LEU 28 3HD2 LEU 28 4.732 -5.126 -5.589 213 H THR 29 H THR 29 7.125 -2.137 -6.490 214 HA THR 29 HA THR 29 8.187 0.138 -4.954 215 HB THR 29 HB THR 29 10.071 -1.276 -5.666 216 HG1 THR 29 1HG THR 29 11.207 0.462 -6.204 217 HG21 THR 29 1HG2 THR 29 10.354 -2.086 -7.754 218 HG22 THR 29 2HG2 THR 29 9.765 -0.609 -8.516 219 HG23 THR 29 3HG2 THR 29 8.620 -1.801 -7.901 220 H TRP 30 H TRP 30 7.076 1.888 -5.498 221 HA TRP 30 HA TRP 30 6.205 2.185 -8.299 222 HB2 TRP 30 1HB TRP 30 4.386 3.648 -7.383 223 HB3 TRP 30 2HB TRP 30 4.270 1.961 -6.891 224 HD1 TRP 30 HD TRP 30 5.160 5.425 -5.483 225 HE1 TRP 30 1HE TRP 30 4.951 5.337 -2.919 226 HE3 TRP 30 3HE TRP 30 4.307 0.417 -4.910 227 HZ2 TRP 30 2HZ TRP 30 4.487 3.400 -0.918 228 HZ3 TRP 30 3HZ TRP 30 3.991 -0.473 -2.638 229 HH2 TRP 30 HH TRP 30 4.080 0.989 -0.685 230 H ALA 31 H ALA 31 7.678 3.474 -9.231 231 HA ALA 31 HA ALA 31 7.962 6.178 -8.217 232 HB1 ALA 31 1HB ALA 31 9.836 5.519 -7.096 233 HB2 ALA 31 2HB ALA 31 10.182 4.204 -8.219 234 HB3 ALA 31 3HB ALA 31 10.547 5.869 -8.672 235 H GLY 32 H GLY 32 9.180 7.571 -9.782 236 HA2 GLY 32 1HA GLY 32 9.297 6.526 -12.506 237 HA3 GLY 32 2HA GLY 32 8.140 7.813 -12.202 238 H SER 33 H SER 33 9.236 9.690 -10.857 239 HA SER 33 HA SER 33 11.777 10.315 -12.215 240 HB2 SER 33 1HB SER 33 11.115 12.618 -12.340 241 HB3 SER 33 2HB SER 33 9.771 11.656 -12.955 242 HG SER 33 HG SER 33 9.671 13.431 -11.054 243 H ARG 34 H ARG 34 13.403 11.303 -11.049 244 HA ARG 34 HA ARG 34 13.031 11.282 -8.129 245 HB2 ARG 34 1HB ARG 34 15.592 11.040 -9.720 246 HB3 ARG 34 2HB ARG 34 15.454 10.955 -7.969 247 HG2 ARG 34 1HG ARG 34 13.910 8.968 -8.347 248 HG3 ARG 34 2HG ARG 34 14.494 8.983 -10.012 249 HD2 ARG 34 1HD ARG 34 15.891 7.456 -8.926 250 HD3 ARG 34 2HD ARG 34 16.840 8.941 -8.993 251 HE ARG 34 HE ARG 34 15.684 9.149 -6.593 252 HH11 ARG 34 2HH1 ARG 34 17.340 6.500 -8.128 253 HH12 ARG 34 1HH1 ARG 34 17.924 5.832 -6.639 254 HH21 ARG 34 2HH2 ARG 34 16.445 8.279 -4.627 255 HH22 ARG 34 1HH2 ARG 34 17.413 6.844 -4.648 256 HA PRO 35 HA PRO 35 13.413 15.711 -8.418 257 HB2 PRO 35 1HB PRO 35 13.269 16.176 -5.747 258 HB3 PRO 35 2HB PRO 35 11.852 15.799 -6.734 259 HG2 PRO 35 1HG PRO 35 13.463 13.997 -4.968 260 HG3 PRO 35 2HG PRO 35 11.702 14.105 -5.147 261 HD2 PRO 35 1HD PRO 35 13.174 12.179 -6.353 262 HD3 PRO 35 2HD PRO 35 11.696 12.843 -7.076 263 H ARG 36 H ARG 36 15.191 16.931 -8.544 264 HA ARG 36 HA ARG 36 17.591 16.048 -7.101 265 HB2 ARG 36 1HB ARG 36 17.308 17.821 -9.534 266 HB3 ARG 36 2HB ARG 36 18.834 17.401 -8.767 267 HG2 ARG 36 1HG ARG 36 18.812 15.858 -10.431 268 HG3 ARG 36 2HG ARG 36 17.962 14.944 -9.183 269 HD2 ARG 36 1HD ARG 36 16.521 14.631 -10.922 270 HD3 ARG 36 2HD ARG 36 15.857 16.125 -10.263 271 HE ARG 36 HE ARG 36 17.755 16.856 -12.142 272 HH11 ARG 36 2HH1 ARG 36 14.741 15.116 -12.067 273 HH12 ARG 36 1HH1 ARG 36 14.302 15.547 -13.687 274 HH21 ARG 36 2HH2 ARG 36 17.188 17.430 -14.276 275 HH22 ARG 36 1HH2 ARG 36 15.695 16.863 -14.943 276 H ASN 37 H ASN 37 15.633 17.488 -5.682 277 HA ASN 37 HA ASN 37 17.232 19.602 -4.631 278 HB2 ASN 37 1HB ASN 37 14.929 20.253 -6.418 279 HB3 ASN 37 2HB ASN 37 15.205 21.268 -5.006 280 HD21 ASN 37 1HD2 ASN 37 15.629 21.346 -8.107 281 HD22 ASN 37 2HD2 ASN 37 17.168 22.119 -8.245 282 HA PRO 38 HA PRO 38 14.813 18.023 -1.238 283 HB2 PRO 38 1HB PRO 38 16.083 19.451 0.690 284 HB3 PRO 38 2HB PRO 38 16.779 18.004 -0.048 285 HG2 PRO 38 1HG PRO 38 17.323 20.886 -0.649 286 HG3 PRO 38 2HG PRO 38 18.467 19.540 -0.496 287 HD2 PRO 38 1HD PRO 38 17.641 20.484 -2.896 288 HD3 PRO 38 2HD PRO 38 18.048 18.776 -2.631 289 H GLY 39 H GLY 39 13.277 18.831 0.269 290 HA2 GLY 39 1HA GLY 39 12.499 21.090 1.245 291 HA3 GLY 39 2HA GLY 39 12.283 21.507 -0.449 292 H GLY 40 H GLY 40 10.654 20.591 2.211 293 HA2 GLY 40 1HA GLY 40 8.423 20.023 2.443 294 HA3 GLY 40 2HA GLY 40 8.323 19.857 0.697 295 H ASN 41 H ASN 41 7.911 18.201 3.440 296 HA ASN 41 HA ASN 41 8.929 15.669 2.339 297 HB2 ASN 41 1HB ASN 41 8.228 16.473 5.165 298 HB3 ASN 41 2HB ASN 41 8.556 14.809 4.692 299 HD21 ASN 41 1HD2 ASN 41 9.915 17.070 6.333 300 HD22 ASN 41 2HD2 ASN 41 11.568 16.946 5.848 301 H LEU 42 H LEU 42 7.576 13.919 2.076 302 HA LEU 42 HA LEU 42 4.746 14.241 2.738 303 HB2 LEU 42 1HB LEU 42 5.915 13.986 0.016 304 HB3 LEU 42 2HB LEU 42 4.395 13.160 0.351 305 HG LEU 42 HG LEU 42 4.716 16.091 0.903 306 HD11 LEU 42 1HD1 LEU 42 3.996 16.644 -1.282 307 HD12 LEU 42 2HD1 LEU 42 3.723 14.952 -1.697 308 HD13 LEU 42 3HD1 LEU 42 5.366 15.549 -1.469 309 HD21 LEU 42 1HD2 LEU 42 2.742 15.366 1.845 310 HD22 LEU 42 2HD2 LEU 42 2.468 14.149 0.598 311 HD23 LEU 42 3HD2 LEU 42 2.207 15.856 0.238 312 H SER 43 H SER 43 3.577 12.280 2.864 313 HA SER 43 HA SER 43 5.280 9.876 2.981 314 HB2 SER 43 1HB SER 43 2.867 10.489 4.704 315 HB3 SER 43 2HB SER 43 3.910 9.073 4.830 316 HG SER 43 HG SER 43 5.068 11.615 5.005 317 H TYR 44 H TYR 44 3.818 7.823 2.987 318 HA TYR 44 HA TYR 44 1.661 8.136 1.013 319 HB2 TYR 44 1HB TYR 44 3.752 5.955 0.918 320 HB3 TYR 44 2HB TYR 44 2.455 6.226 -0.241 321 HD1 TYR 44 2HD TYR 44 2.481 8.493 -1.495 322 HD2 TYR 44 1HD TYR 44 5.851 6.891 0.549 323 HE1 TYR 44 2HE TYR 44 3.966 9.931 -2.828 324 HE2 TYR 44 1HE TYR 44 7.345 8.326 -0.777 325 HH TYR 44 HH TYR 44 6.872 10.759 -2.089 326 H GLU 45 H GLU 45 -0.086 6.819 1.276 327 HA GLU 45 HA GLU 45 -0.117 5.207 3.726 328 HB2 GLU 45 1HB GLU 45 -1.804 7.018 3.467 329 HB3 GLU 45 2HB GLU 45 -2.445 6.179 2.062 330 HG2 GLU 45 1HG GLU 45 -3.353 4.478 3.319 331 HG3 GLU 45 2HG GLU 45 -2.255 4.749 4.670 332 H LEU 46 H LEU 46 -0.009 3.075 3.578 333 HA LEU 46 HA LEU 46 -0.700 1.801 1.018 334 HB2 LEU 46 1HB LEU 46 1.637 1.637 2.230 335 HB3 LEU 46 2HB LEU 46 0.814 0.381 3.152 336 HG LEU 46 HG LEU 46 2.182 -0.424 1.209 337 HD11 LEU 46 1HD1 LEU 46 0.831 -2.212 0.996 338 HD12 LEU 46 2HD1 LEU 46 -0.573 -1.238 0.564 339 HD13 LEU 46 3HD1 LEU 46 -0.100 -1.401 2.255 340 HD21 LEU 46 1HD2 LEU 46 1.294 1.570 -0.218 341 HD22 LEU 46 2HD2 LEU 46 -0.046 0.477 -0.565 342 HD23 LEU 46 3HD2 LEU 46 1.604 0.010 -0.979 343 H HIS 47 H HIS 47 -2.269 0.300 0.908 344 HA HIS 47 HA HIS 47 -3.398 -0.737 3.414 345 HB2 HIS 47 1HB HIS 47 -4.770 1.175 2.551 346 HB3 HIS 47 2HB HIS 47 -5.070 0.237 1.091 347 HD1 HIS 47 1HD HIS 47 -7.629 0.344 1.710 348 HD2 HIS 47 2HD HIS 47 -5.249 -1.767 4.384 349 HE1 HIS 47 1HE HIS 47 -9.225 -0.988 3.125 350 HE2 HIS 47 2HE HIS 47 -7.768 -2.191 4.790 351 H VAL 48 H VAL 48 -3.115 -2.863 3.346 352 HA VAL 48 HA VAL 48 -3.360 -4.250 0.763 353 HB VAL 48 HB VAL 48 -2.055 -5.204 3.316 354 HG11 VAL 48 1HG1 VAL 48 -2.586 -7.193 2.351 355 HG12 VAL 48 2HG1 VAL 48 -2.667 -6.510 0.726 356 HG13 VAL 48 3HG1 VAL 48 -1.101 -6.856 1.462 357 HG21 VAL 48 1HG2 VAL 48 -0.293 -4.971 1.068 358 HG22 VAL 48 2HG2 VAL 48 -1.104 -3.431 1.353 359 HG23 VAL 48 3HG2 VAL 48 -0.189 -4.198 2.650 360 H LEU 49 H LEU 49 -4.846 -5.824 0.455 361 HA LEU 49 HA LEU 49 -6.571 -6.521 2.740 362 HB2 LEU 49 1HB LEU 49 -7.424 -6.239 -0.136 363 HB3 LEU 49 2HB LEU 49 -8.463 -6.614 1.237 364 HG LEU 49 HG LEU 49 -7.770 -4.314 2.141 365 HD11 LEU 49 1HD1 LEU 49 -6.107 -4.363 -0.073 366 HD12 LEU 49 2HD1 LEU 49 -6.487 -2.962 0.929 367 HD13 LEU 49 3HD1 LEU 49 -7.416 -3.275 -0.538 368 HD21 LEU 49 1HD2 LEU 49 -9.603 -3.298 1.093 369 HD22 LEU 49 2HD2 LEU 49 -9.977 -5.022 1.071 370 HD23 LEU 49 3HD2 LEU 49 -9.385 -4.228 -0.389 371 H ASN 50 H ASN 50 -6.645 -8.614 3.203 372 HA ASN 50 HA ASN 50 -5.543 -10.523 1.284 373 HB2 ASN 50 1HB ASN 50 -4.508 -11.013 3.264 374 HB3 ASN 50 2HB ASN 50 -5.863 -10.446 4.236 375 HD21 ASN 50 1HD2 ASN 50 -4.589 -13.105 2.370 376 HD22 ASN 50 2HD2 ASN 50 -5.614 -14.322 3.041 377 H GLN 51 H GLN 51 -6.619 -12.763 1.366 378 HA GLN 51 HA GLN 51 -9.008 -12.781 0.111 379 HB2 GLN 51 1HB GLN 51 -7.831 -14.808 1.999 380 HB3 GLN 51 2HB GLN 51 -9.345 -15.107 1.154 381 HG2 GLN 51 1HG GLN 51 -6.951 -14.275 -0.408 382 HG3 GLN 51 2HG GLN 51 -7.074 -15.936 0.171 383 HE21 GLN 51 1HE2 GLN 51 -8.463 -17.322 -0.799 384 HE22 GLN 51 2HE2 GLN 51 -9.420 -16.923 -2.181 385 H ASP 52 H ASP 52 -8.866 -13.725 3.544 386 HA ASP 52 HA ASP 52 -11.517 -12.486 3.888 387 HB2 ASP 52 1HB ASP 52 -10.318 -15.005 4.925 388 HB3 ASP 52 2HB ASP 52 -11.414 -14.131 5.992 389 H GLU 53 H GLU 53 -8.993 -11.089 4.105 390 HA GLU 53 HA GLU 53 -9.366 -10.005 6.770 391 HB2 GLU 53 1HB GLU 53 -6.746 -11.191 5.853 392 HB3 GLU 53 2HB GLU 53 -6.876 -10.066 7.198 393 HG2 GLU 53 1HG GLU 53 -8.385 -12.660 7.080 394 HG3 GLU 53 2HG GLU 53 -6.784 -12.503 7.799 395 H GLU 54 H GLU 54 -8.122 -7.977 7.079 396 HA GLU 54 HA GLU 54 -7.094 -6.704 4.689 397 HB2 GLU 54 1HB GLU 54 -9.347 -6.167 4.284 398 HB3 GLU 54 2HB GLU 54 -9.679 -5.887 5.988 399 HG2 GLU 54 1HG GLU 54 -7.865 -3.980 5.621 400 HG3 GLU 54 2HG GLU 54 -8.466 -4.099 3.968 401 H TRP 55 H TRP 55 -5.439 -5.440 5.223 402 HA TRP 55 HA TRP 55 -5.423 -4.100 7.824 403 HB2 TRP 55 1HB TRP 55 -3.249 -4.881 8.418 404 HB3 TRP 55 2HB TRP 55 -4.193 -6.304 7.985 405 HD1 TRP 55 HD TRP 55 -1.453 -4.016 6.504 406 HE1 TRP 55 1HE TRP 55 -0.098 -5.390 4.801 407 HE3 TRP 55 3HE TRP 55 -4.203 -8.325 6.567 408 HZ2 TRP 55 2HZ TRP 55 -0.184 -7.961 3.638 409 HZ3 TRP 55 3HZ TRP 55 -3.500 -10.194 5.130 410 HH2 TRP 55 HH TRP 55 -1.532 -10.014 3.696 411 H HIS 56 H HIS 56 -4.095 -2.252 7.928 412 HA HIS 56 HA HIS 56 -2.989 -1.351 5.353 413 HB2 HIS 56 1HB HIS 56 -3.756 0.990 6.137 414 HB3 HIS 56 2HB HIS 56 -4.965 -0.102 5.468 415 HD1 HIS 56 1HD HIS 56 -6.764 1.286 6.799 416 HD2 HIS 56 2HD HIS 56 -4.021 -0.765 9.151 417 HE1 HIS 56 1HE HIS 56 -7.746 1.265 9.115 418 HE2 HIS 56 2HE HIS 56 -6.029 0.093 10.537 419 H GLN 57 H GLN 57 -1.212 0.069 5.467 420 HA GLN 57 HA GLN 57 -0.091 0.739 8.050 421 HB2 GLN 57 1HB GLN 57 2.066 -0.379 7.596 422 HB3 GLN 57 2HB GLN 57 0.742 -1.522 7.784 423 HG2 GLN 57 1HG GLN 57 0.601 -1.786 5.375 424 HG3 GLN 57 2HG GLN 57 1.886 -0.600 5.157 425 HE21 GLN 57 1HE2 GLN 57 3.990 -1.183 5.510 426 HE22 GLN 57 2HE2 GLN 57 4.488 -2.814 5.786 427 H MET 58 H MET 58 0.895 2.652 7.940 428 HA MET 58 HA MET 58 1.193 3.940 5.375 429 HB2 MET 58 1HB MET 58 0.307 5.169 7.314 430 HB3 MET 58 2HB MET 58 1.836 4.944 8.154 431 HG2 MET 58 1HG MET 58 1.889 6.247 5.490 432 HG3 MET 58 2HG MET 58 1.263 7.166 6.856 433 HE1 MET 58 1HE MET 58 2.421 8.639 7.878 434 HE2 MET 58 2HE MET 58 3.168 7.735 9.195 435 HE3 MET 58 3HE MET 58 4.157 8.768 8.163 436 H VAL 59 H VAL 59 3.024 4.254 4.259 437 HA VAL 59 HA VAL 59 5.560 3.454 5.533 438 HB VAL 59 HB VAL 59 6.350 2.816 3.263 439 HG11 VAL 59 1HG1 VAL 59 5.027 1.324 5.025 440 HG12 VAL 59 2HG1 VAL 59 3.904 1.193 3.671 441 HG13 VAL 59 3HG1 VAL 59 5.583 0.688 3.478 442 HG21 VAL 59 1HG2 VAL 59 3.702 2.514 2.116 443 HG22 VAL 59 2HG2 VAL 59 4.116 4.204 2.400 444 HG23 VAL 59 3HG2 VAL 59 5.168 3.194 1.409 445 H LEU 60 H LEU 60 7.333 4.744 5.260 446 HA LEU 60 HA LEU 60 6.814 7.408 4.179 447 HB2 LEU 60 1HB LEU 60 9.230 6.471 5.709 448 HB3 LEU 60 2HB LEU 60 8.726 8.133 5.410 449 HG LEU 60 HG LEU 60 6.913 6.350 6.964 450 HD11 LEU 60 1HD1 LEU 60 9.139 7.826 8.321 451 HD12 LEU 60 2HD1 LEU 60 9.328 6.148 7.813 452 HD13 LEU 60 3HD1 LEU 60 8.070 6.582 8.970 453 HD21 LEU 60 1HD2 LEU 60 6.566 8.544 8.161 454 HD22 LEU 60 2HD2 LEU 60 6.060 8.502 6.472 455 HD23 LEU 60 3HD2 LEU 60 7.576 9.284 6.918 456 H GLU 61 H GLU 61 7.471 4.876 2.611 457 HA GLU 61 HA GLU 61 9.436 6.149 0.871 458 HB2 GLU 61 1HB GLU 61 10.661 3.986 0.606 459 HB3 GLU 61 2HB GLU 61 10.845 4.728 2.189 460 HG2 GLU 61 1HG GLU 61 8.726 2.675 1.761 461 HG3 GLU 61 2HG GLU 61 10.403 2.176 1.978 462 HA PRO 62 HA PRO 62 6.822 4.700 -2.343 463 HB2 PRO 62 1HB PRO 62 8.605 4.395 -4.367 464 HB3 PRO 62 2HB PRO 62 8.083 5.978 -3.777 465 HG2 PRO 62 1HG PRO 62 10.581 4.452 -3.149 466 HG3 PRO 62 2HG PRO 62 10.382 6.180 -3.497 467 HD2 PRO 62 1HD PRO 62 10.651 5.223 -0.979 468 HD3 PRO 62 2HD PRO 62 9.678 6.659 -1.356 469 H ARG 63 H ARG 63 8.932 2.719 -0.776 470 HA ARG 63 HA ARG 63 8.038 0.379 -2.321 471 HB2 ARG 63 1HB ARG 63 10.201 -0.716 -1.798 472 HB3 ARG 63 2HB ARG 63 10.380 0.698 -2.828 473 HG2 ARG 63 1HG ARG 63 10.801 1.931 -0.563 474 HG3 ARG 63 2HG ARG 63 11.186 0.307 0.010 475 HD2 ARG 63 1HD ARG 63 12.979 0.083 -1.467 476 HD3 ARG 63 2HD ARG 63 12.405 1.387 -2.505 477 HE ARG 63 HE ARG 63 13.415 2.917 -1.108 478 HH11 ARG 63 2HH1 ARG 63 13.446 -0.240 0.359 479 HH12 ARG 63 1HH1 ARG 63 14.538 0.215 1.624 480 HH21 ARG 63 2HH2 ARG 63 14.854 3.528 0.553 481 HH22 ARG 63 1HH2 ARG 63 15.338 2.359 1.734 482 H VAL 64 H VAL 64 7.067 -1.157 -1.154 483 HA VAL 64 HA VAL 64 7.366 -1.070 1.778 484 HB VAL 64 HB VAL 64 5.159 -0.253 1.171 485 HG11 VAL 64 1HG1 VAL 64 3.786 -2.449 0.178 486 HG12 VAL 64 2HG1 VAL 64 4.247 -1.001 -0.720 487 HG13 VAL 64 3HG1 VAL 64 5.290 -2.423 -0.742 488 HG21 VAL 64 1HG2 VAL 64 3.841 -2.326 2.203 489 HG22 VAL 64 2HG2 VAL 64 5.486 -2.846 2.569 490 HG23 VAL 64 3HG2 VAL 64 4.896 -1.297 3.173 491 H LEU 65 H LEU 65 7.757 -2.955 2.807 492 HA LEU 65 HA LEU 65 7.986 -5.359 1.131 493 HB2 LEU 65 1HB LEU 65 9.956 -4.288 2.473 494 HB3 LEU 65 2HB LEU 65 9.214 -5.114 3.842 495 HG LEU 65 HG LEU 65 11.117 -6.329 2.745 496 HD11 LEU 65 1HD1 LEU 65 9.065 -8.279 2.333 497 HD12 LEU 65 2HD1 LEU 65 8.663 -7.280 3.729 498 HD13 LEU 65 3HD1 LEU 65 10.209 -8.127 3.667 499 HD21 LEU 65 1HD2 LEU 65 11.028 -7.103 0.607 500 HD22 LEU 65 2HD2 LEU 65 10.078 -5.631 0.407 501 HD23 LEU 65 3HD2 LEU 65 9.267 -7.188 0.590 502 H LEU 66 H LEU 66 6.235 -6.601 1.300 503 HA LEU 66 HA LEU 66 4.843 -6.797 3.867 504 HB2 LEU 66 1HB LEU 66 4.033 -7.904 1.185 505 HB3 LEU 66 2HB LEU 66 3.035 -7.813 2.635 506 HG LEU 66 HG LEU 66 4.085 -5.384 1.195 507 HD11 LEU 66 1HD1 LEU 66 2.139 -5.237 -0.053 508 HD12 LEU 66 2HD1 LEU 66 1.274 -6.383 0.970 509 HD13 LEU 66 3HD1 LEU 66 2.524 -6.957 -0.134 510 HD21 LEU 66 1HD2 LEU 66 2.749 -5.807 3.675 511 HD22 LEU 66 2HD2 LEU 66 1.658 -4.956 2.581 512 HD23 LEU 66 3HD2 LEU 66 3.252 -4.288 2.933 513 H THR 67 H THR 67 5.128 -8.480 5.163 514 HA THR 67 HA THR 67 6.207 -10.972 4.014 515 HB THR 67 HB THR 67 7.256 -11.367 6.267 516 HG1 THR 67 1HG THR 67 7.040 -9.900 7.789 517 HG21 THR 67 1HG2 THR 67 8.558 -10.564 4.340 518 HG22 THR 67 2HG2 THR 67 9.169 -9.912 5.860 519 HG23 THR 67 3HG2 THR 67 8.192 -8.901 4.797 520 H LYS 68 H LYS 68 5.913 -12.798 5.808 521 HA LYS 68 HA LYS 68 4.450 -14.230 6.799 522 HB2 LYS 68 1HB LYS 68 3.528 -11.563 7.797 523 HB3 LYS 68 2HB LYS 68 2.571 -12.993 8.160 524 HG2 LYS 68 1HG LYS 68 4.441 -14.016 9.282 525 HG3 LYS 68 2HG LYS 68 5.491 -12.675 8.822 526 HD2 LYS 68 1HD LYS 68 4.388 -11.176 10.254 527 HD3 LYS 68 2HD LYS 68 2.995 -12.245 10.438 528 HE2 LYS 68 1HE LYS 68 4.099 -13.643 11.910 529 HE3 LYS 68 2HE LYS 68 5.694 -13.162 11.332 530 HZ1 LYS 68 1HZ LYS 68 5.064 -10.888 12.314 531 HZ2 LYS 68 2HZ LYS 68 5.535 -12.121 13.371 532 HZ3 LYS 68 3HZ LYS 68 3.896 -11.745 13.188 533 H LEU 69 H LEU 69 3.995 -13.840 4.129 534 HA LEU 69 HA LEU 69 1.104 -13.502 3.821 535 HB2 LEU 69 1HB LEU 69 3.185 -13.915 1.683 536 HB3 LEU 69 2HB LEU 69 1.510 -13.417 1.453 537 HG LEU 69 HG LEU 69 3.538 -11.750 2.931 538 HD11 LEU 69 1HD1 LEU 69 3.965 -10.533 0.962 539 HD12 LEU 69 2HD1 LEU 69 2.674 -11.349 0.081 540 HD13 LEU 69 3HD1 LEU 69 4.137 -12.231 0.516 541 HD21 LEU 69 1HD2 LEU 69 1.926 -10.196 3.139 542 HD22 LEU 69 2HD2 LEU 69 0.837 -11.570 2.939 543 HD23 LEU 69 3HD2 LEU 69 1.234 -10.549 1.556 544 H GLN 70 H GLN 70 0.177 -15.061 2.056 545 HA GLN 70 HA GLN 70 0.988 -17.797 2.791 546 HB2 GLN 70 1HB GLN 70 -1.688 -16.523 2.484 547 HB3 GLN 70 2HB GLN 70 -1.523 -18.213 2.028 548 HG2 GLN 70 1HG GLN 70 -1.075 -16.965 4.719 549 HG3 GLN 70 2HG GLN 70 -2.255 -18.193 4.264 550 HE21 GLN 70 1HE2 GLN 70 -1.403 -20.294 3.611 551 HE22 GLN 70 2HE2 GLN 70 0.040 -20.876 4.361 552 HA PRO 71 HA PRO 71 1.816 -18.529 -1.471 553 HB2 PRO 71 1HB PRO 71 1.626 -21.237 -1.475 554 HB3 PRO 71 2HB PRO 71 2.995 -20.371 -0.767 555 HG2 PRO 71 1HG PRO 71 0.598 -21.552 0.582 556 HG3 PRO 71 2HG PRO 71 2.300 -21.608 1.076 557 HD2 PRO 71 1HD PRO 71 0.520 -19.886 2.173 558 HD3 PRO 71 2HD PRO 71 2.239 -19.486 1.975 559 H ASP 72 H ASP 72 0.698 -18.732 -3.347 560 HA ASP 72 HA ASP 72 -1.070 -18.903 -4.768 561 HB2 ASP 72 1HB ASP 72 -0.916 -21.276 -4.412 562 HB3 ASP 72 2HB ASP 72 -1.763 -21.152 -2.872 563 H THR 73 H THR 73 -1.337 -16.819 -3.129 564 HA THR 73 HA THR 73 -4.226 -16.728 -2.669 565 HB THR 73 HB THR 73 -2.203 -15.754 -0.641 566 HG1 THR 73 1HG THR 73 -2.955 -18.145 -0.915 567 HG21 THR 73 1HG2 THR 73 -4.436 -15.521 0.694 568 HG22 THR 73 2HG2 THR 73 -5.164 -15.431 -0.910 569 HG23 THR 73 3HG2 THR 73 -3.947 -14.250 -0.426 570 H THR 74 H THR 74 -5.162 -14.812 -3.191 571 HA THR 74 HA THR 74 -3.521 -12.894 -4.604 572 HB THR 74 HB THR 74 -6.506 -12.831 -4.123 573 HG1 THR 74 1HG THR 74 -5.084 -13.769 -6.409 574 HG21 THR 74 1HG2 THR 74 -6.646 -11.119 -5.653 575 HG22 THR 74 2HG2 THR 74 -5.139 -11.566 -6.453 576 HG23 THR 74 3HG2 THR 74 -5.100 -10.741 -4.895 577 H TYR 75 H TYR 75 -2.792 -11.026 -3.821 578 HA TYR 75 HA TYR 75 -3.992 -9.988 -1.337 579 HB2 TYR 75 1HB TYR 75 -1.100 -10.201 -2.144 580 HB3 TYR 75 2HB TYR 75 -1.629 -9.045 -0.927 581 HD1 TYR 75 2HD TYR 75 -2.763 -9.912 1.155 582 HD2 TYR 75 1HD TYR 75 -0.780 -12.474 -1.603 583 HE1 TYR 75 2HE TYR 75 -2.645 -11.664 2.877 584 HE2 TYR 75 1HE TYR 75 -0.656 -14.234 0.111 585 HH TYR 75 HH TYR 75 -2.340 -14.614 2.480 586 H ILE 76 H ILE 76 -5.070 -8.192 -1.794 587 HA ILE 76 HA ILE 76 -4.329 -6.530 -4.047 588 HB ILE 76 HB ILE 76 -6.536 -6.115 -2.027 589 HG12 ILE 76 1HG1 ILE 76 -6.793 -8.237 -3.246 590 HG13 ILE 76 2HG1 ILE 76 -8.024 -7.073 -3.724 591 HG21 ILE 76 1HG2 ILE 76 -7.478 -4.771 -4.003 592 HG22 ILE 76 2HG2 ILE 76 -6.182 -4.051 -3.049 593 HG23 ILE 76 3HG2 ILE 76 -5.824 -4.781 -4.614 594 HD11 ILE 76 1HD1 ILE 76 -5.780 -6.798 -5.452 595 HD12 ILE 76 2HD1 ILE 76 -6.241 -8.498 -5.365 596 HD13 ILE 76 3HD1 ILE 76 -7.430 -7.284 -5.837 597 H VAL 77 H VAL 77 -3.454 -4.517 -3.974 598 HA VAL 77 HA VAL 77 -2.974 -3.281 -1.360 599 HB VAL 77 HB VAL 77 -0.795 -3.634 -3.423 600 HG11 VAL 77 1HG1 VAL 77 -0.247 -2.804 -0.633 601 HG12 VAL 77 2HG1 VAL 77 0.560 -2.346 -2.133 602 HG13 VAL 77 3HG1 VAL 77 -0.984 -1.610 -1.701 603 HG21 VAL 77 1HG2 VAL 77 0.225 -5.021 -1.510 604 HG22 VAL 77 2HG2 VAL 77 -1.426 -5.127 -0.900 605 HG23 VAL 77 3HG2 VAL 77 -1.034 -5.761 -2.498 606 H ARG 78 H ARG 78 -2.946 -1.068 -1.370 607 HA ARG 78 HA ARG 78 -2.974 0.339 -3.928 608 HB2 ARG 78 1HB ARG 78 -4.990 1.644 -3.199 609 HB3 ARG 78 2HB ARG 78 -5.310 -0.040 -3.593 610 HG2 ARG 78 1HG ARG 78 -5.533 -0.632 -1.320 611 HG3 ARG 78 2HG ARG 78 -4.856 0.906 -0.780 612 HD2 ARG 78 1HD ARG 78 -7.169 1.115 -0.449 613 HD3 ARG 78 2HD ARG 78 -6.841 2.000 -1.939 614 HE ARG 78 HE ARG 78 -8.021 0.407 -3.126 615 HH11 ARG 78 2HH1 ARG 78 -7.601 -0.606 0.178 616 HH12 ARG 78 1HH1 ARG 78 -8.742 -1.904 0.062 617 HH21 ARG 78 2HH2 ARG 78 -9.525 -1.300 -3.292 618 HH22 ARG 78 1HH2 ARG 78 -9.835 -2.299 -1.912 619 H VAL 79 H VAL 79 -1.631 2.002 -3.797 620 HA VAL 79 HA VAL 79 -1.172 3.236 -1.158 621 HB VAL 79 HB VAL 79 0.794 2.035 -2.135 622 HG11 VAL 79 1HG1 VAL 79 1.517 4.115 -4.000 623 HG12 VAL 79 2HG1 VAL 79 1.471 2.366 -4.229 624 HG13 VAL 79 3HG1 VAL 79 0.013 3.328 -4.477 625 HG21 VAL 79 1HG2 VAL 79 2.136 4.441 -2.120 626 HG22 VAL 79 2HG2 VAL 79 0.680 4.785 -1.186 627 HG23 VAL 79 3HG2 VAL 79 1.745 3.464 -0.704 628 H ARG 80 H ARG 80 -1.158 5.451 -0.983 629 HA ARG 80 HA ARG 80 -1.498 7.078 -3.374 630 HB2 ARG 80 1HB ARG 80 -3.525 8.149 -2.574 631 HB3 ARG 80 2HB ARG 80 -3.787 6.416 -2.729 632 HG2 ARG 80 1HG ARG 80 -4.741 6.722 -0.703 633 HG3 ARG 80 2HG ARG 80 -3.077 6.478 -0.168 634 HD2 ARG 80 1HD ARG 80 -2.731 8.771 0.167 635 HD3 ARG 80 2HD ARG 80 -4.137 9.212 -0.801 636 HE ARG 80 HE ARG 80 -4.110 8.419 1.980 637 HH11 ARG 80 2HH1 ARG 80 -6.012 8.883 -0.899 638 HH12 ARG 80 1HH1 ARG 80 -7.509 9.044 -0.041 639 HH21 ARG 80 2HH2 ARG 80 -6.075 8.629 3.120 640 HH22 ARG 80 1HH2 ARG 80 -7.543 8.900 2.245 641 H THR 81 H THR 81 -0.762 9.147 -3.146 642 HA THR 81 HA THR 81 0.972 9.694 -0.963 643 HB THR 81 HB THR 81 -0.015 11.604 -3.090 644 HG1 THR 81 1HG THR 81 2.354 10.934 -3.734 645 HG21 THR 81 1HG2 THR 81 2.364 12.560 -2.542 646 HG22 THR 81 2HG2 THR 81 2.114 11.745 -0.998 647 HG23 THR 81 3HG2 THR 81 0.982 12.986 -1.534 648 H LEU 82 H LEU 82 0.551 10.622 0.930 649 HA LEU 82 HA LEU 82 -2.110 11.599 1.491 650 HB2 LEU 82 1HB LEU 82 0.285 10.861 3.059 651 HB3 LEU 82 2HB LEU 82 -0.778 12.075 3.769 652 HG LEU 82 HG LEU 82 -1.694 9.341 2.886 653 HD11 LEU 82 1HD1 LEU 82 -0.674 10.338 5.522 654 HD12 LEU 82 2HD1 LEU 82 -0.247 8.866 4.649 655 HD13 LEU 82 3HD1 LEU 82 -1.824 9.004 5.427 656 HD21 LEU 82 1HD2 LEU 82 -3.708 9.835 4.033 657 HD22 LEU 82 2HD2 LEU 82 -3.364 11.224 3.001 658 HD23 LEU 82 3HD2 LEU 82 -3.032 11.306 4.732 659 H THR 83 H THR 83 -2.695 13.673 2.001 660 HA THR 83 HA THR 83 -0.627 15.754 1.795 661 HB THR 83 HB THR 83 -1.820 17.058 0.285 662 HG1 THR 83 1HG THR 83 -3.873 17.183 0.887 663 HG21 THR 83 1HG2 THR 83 -2.936 14.831 -1.117 664 HG22 THR 83 2HG2 THR 83 -1.413 14.339 -0.378 665 HG23 THR 83 3HG2 THR 83 -1.458 15.728 -1.463 666 HA PRO 84 HA PRO 84 -2.454 17.509 5.383 667 HB2 PRO 84 1HB PRO 84 -1.937 20.144 4.988 668 HB3 PRO 84 2HB PRO 84 -0.684 18.973 5.417 669 HG2 PRO 84 1HG PRO 84 -1.390 20.093 2.732 670 HG3 PRO 84 2HG PRO 84 0.211 19.819 3.444 671 HD2 PRO 84 1HD PRO 84 -0.893 18.124 1.644 672 HD3 PRO 84 2HD PRO 84 0.189 17.571 2.938 673 H LEU 85 H LEU 85 -3.236 19.228 2.365 674 HA LEU 85 HA LEU 85 -5.984 19.560 3.371 675 HB2 LEU 85 1HB LEU 85 -6.076 21.652 2.011 676 HB3 LEU 85 2HB LEU 85 -5.009 21.719 3.412 677 HG LEU 85 HG LEU 85 -3.779 21.021 0.804 678 HD11 LEU 85 1HD1 LEU 85 -4.012 23.018 -0.209 679 HD12 LEU 85 2HD1 LEU 85 -4.046 23.909 1.311 680 HD13 LEU 85 3HD1 LEU 85 -5.499 23.092 0.737 681 HD21 LEU 85 1HD2 LEU 85 -2.777 21.417 3.247 682 HD22 LEU 85 2HD2 LEU 85 -2.722 23.077 2.653 683 HD23 LEU 85 3HD2 LEU 85 -1.883 21.797 1.775 684 H GLY 86 H GLY 86 -6.795 17.770 2.302 685 HA2 GLY 86 1HA GLY 86 -8.050 17.014 0.468 686 HA3 GLY 86 2HA GLY 86 -7.188 18.147 -0.562 687 HA PRO 87 HA PRO 87 -4.408 14.203 0.050 688 HB2 PRO 87 1HB PRO 87 -5.753 11.978 0.833 689 HB3 PRO 87 2HB PRO 87 -4.989 13.091 1.974 690 HG2 PRO 87 1HG PRO 87 -7.861 12.897 1.152 691 HG3 PRO 87 2HG PRO 87 -7.174 13.130 2.770 692 HD2 PRO 87 1HD PRO 87 -8.186 15.173 1.309 693 HD3 PRO 87 2HD PRO 87 -6.832 15.385 2.437 694 H GLY 88 H GLY 88 -3.983 12.779 -1.616 695 HA2 GLY 88 1HA GLY 88 -5.699 12.883 -3.877 696 HA3 GLY 88 2HA GLY 88 -4.236 11.920 -3.733 697 HA PRO 89 HA PRO 89 -8.221 9.316 -3.567 698 HB2 PRO 89 1HB PRO 89 -8.125 8.284 -6.076 699 HB3 PRO 89 2HB PRO 89 -8.989 9.776 -5.683 700 HG2 PRO 89 1HG PRO 89 -6.271 9.422 -6.888 701 HG3 PRO 89 2HG PRO 89 -7.554 10.562 -7.335 702 HD2 PRO 89 1HD PRO 89 -5.424 11.283 -5.826 703 HD3 PRO 89 2HD PRO 89 -7.028 12.018 -5.627 704 H PHE 90 H PHE 90 -8.274 6.999 -3.552 705 HA PHE 90 HA PHE 90 -5.686 5.838 -3.015 706 HB2 PHE 90 1HB PHE 90 -8.516 5.079 -2.553 707 HB3 PHE 90 2HB PHE 90 -7.366 3.756 -2.721 708 HD1 PHE 90 2HD PHE 90 -5.298 3.795 -1.222 709 HD2 PHE 90 1HD PHE 90 -8.742 6.199 -0.533 710 HE1 PHE 90 2HE PHE 90 -4.623 4.083 1.126 711 HE2 PHE 90 1HE PHE 90 -8.072 6.492 1.817 712 HZ PHE 90 HZ PHE 90 -6.011 5.432 2.649 713 H SER 91 H SER 91 -4.517 4.630 -4.358 714 HA SER 91 HA SER 91 -4.934 4.400 -7.048 715 HB2 SER 91 1HB SER 91 -3.072 3.046 -7.106 716 HB3 SER 91 2HB SER 91 -2.897 3.717 -5.485 717 HG SER 91 HG SER 91 -3.589 1.146 -6.288 718 HA PRO 92 HA PRO 92 -8.014 1.371 -7.814 719 HB2 PRO 92 1HB PRO 92 -7.074 0.201 -10.077 720 HB3 PRO 92 2HB PRO 92 -7.751 1.833 -10.049 721 HG2 PRO 92 1HG PRO 92 -4.884 0.971 -10.025 722 HG3 PRO 92 2HG PRO 92 -5.651 2.280 -10.943 723 HD2 PRO 92 1HD PRO 92 -4.242 2.723 -8.674 724 HD3 PRO 92 2HD PRO 92 -5.632 3.722 -9.145 725 H ASP 93 H ASP 93 -8.471 -0.608 -7.062 726 HA ASP 93 HA ASP 93 -6.856 -2.202 -5.612 727 HB2 ASP 93 1HB ASP 93 -8.872 -3.486 -7.438 728 HB3 ASP 93 2HB ASP 93 -8.454 -3.915 -5.782 729 H HIS 94 H HIS 94 -4.893 -2.934 -6.097 730 HA HIS 94 HA HIS 94 -4.278 -3.811 -8.806 731 HB2 HIS 94 1HB HIS 94 -2.682 -3.070 -6.400 732 HB3 HIS 94 2HB HIS 94 -1.954 -4.177 -7.560 733 HD1 HIS 94 1HD HIS 94 -3.624 -0.756 -7.584 734 HD2 HIS 94 2HD HIS 94 -0.697 -2.913 -9.595 735 HE1 HIS 94 1HE HIS 94 -2.616 0.853 -9.232 736 HE2 HIS 94 2HE HIS 94 -0.906 -0.498 -10.496 737 H GLU 95 H GLU 95 -5.063 -5.809 -9.186 738 HA GLU 95 HA GLU 95 -5.197 -7.868 -7.237 739 HB2 GLU 95 1HB GLU 95 -6.708 -7.816 -9.157 740 HB3 GLU 95 2HB GLU 95 -5.349 -8.021 -10.253 741 HG2 GLU 95 1HG GLU 95 -4.900 -10.221 -9.220 742 HG3 GLU 95 2HG GLU 95 -6.345 -10.015 -8.232 743 H PHE 96 H PHE 96 -3.481 -8.831 -6.389 744 HA PHE 96 HA PHE 96 -1.232 -9.507 -8.170 745 HB2 PHE 96 1HB PHE 96 -1.190 -8.617 -5.286 746 HB3 PHE 96 2HB PHE 96 0.190 -9.376 -6.071 747 HD1 PHE 96 1HD PHE 96 0.495 -8.223 -8.594 748 HD2 PHE 96 2HD PHE 96 -0.921 -6.362 -5.037 749 HE1 PHE 96 1HE PHE 96 1.207 -6.032 -9.460 750 HE2 PHE 96 2HE PHE 96 -0.212 -4.169 -5.898 751 HZ PHE 96 HZ PHE 96 0.852 -4.002 -8.113 752 H ARG 97 H ARG 97 -0.144 -11.483 -7.765 753 HA ARG 97 HA ARG 97 -1.552 -13.365 -6.001 754 HB2 ARG 97 1HB ARG 97 -2.154 -13.539 -8.509 755 HB3 ARG 97 2HB ARG 97 -0.539 -14.207 -8.703 756 HG2 ARG 97 1HG ARG 97 -1.043 -16.067 -7.329 757 HG3 ARG 97 2HG ARG 97 -2.552 -15.335 -6.779 758 HD2 ARG 97 1HD ARG 97 -2.014 -16.038 -9.655 759 HD3 ARG 97 2HD ARG 97 -2.772 -17.152 -8.518 760 HE ARG 97 HE ARG 97 -4.032 -14.556 -8.736 761 HH11 ARG 97 2HH1 ARG 97 -3.936 -17.855 -9.845 762 HH12 ARG 97 1HH1 ARG 97 -5.567 -17.842 -10.431 763 HH21 ARG 97 2HH2 ARG 97 -6.179 -14.527 -9.503 764 HH22 ARG 97 1HH2 ARG 97 -6.841 -15.948 -10.237 765 H THR 98 H THR 98 -0.223 -14.421 -4.684 766 HA THR 98 HA THR 98 2.623 -14.073 -4.918 767 HB THR 98 HB THR 98 2.733 -15.407 -2.824 768 HG1 THR 98 1HG THR 98 1.036 -16.496 -2.165 769 HG21 THR 98 1HG2 THR 98 1.206 -12.918 -3.170 770 HG22 THR 98 2HG2 THR 98 2.572 -13.273 -2.112 771 HG23 THR 98 3HG2 THR 98 0.941 -13.742 -1.635 772 H SER 99 H SER 99 4.181 -15.734 -5.078 773 HA SER 99 HA SER 99 3.760 -17.632 -7.049 774 HB2 SER 99 1HB SER 99 5.860 -17.285 -4.940 775 HB3 SER 99 2HB SER 99 5.866 -18.741 -5.935 776 HG SER 99 HG SER 99 7.020 -16.635 -6.619 777 HA PRO 100 HA PRO 100 1.732 -21.044 -5.174 778 HB2 PRO 100 1HB PRO 100 2.818 -23.113 -6.556 779 HB3 PRO 100 2HB PRO 100 1.655 -21.988 -7.267 780 HG2 PRO 100 1HG PRO 100 4.639 -22.028 -7.504 781 HG3 PRO 100 2HG PRO 100 3.421 -21.743 -8.760 782 HD2 PRO 100 1HD PRO 100 4.786 -19.729 -7.572 783 HD3 PRO 100 2HD PRO 100 3.115 -19.544 -8.142 784 HA PRO 101 HA PRO 101 4.243 -22.731 -1.975 785 HB2 PRO 101 1HB PRO 101 2.850 -24.988 -1.394 786 HB3 PRO 101 2HB PRO 101 2.286 -23.371 -0.956 787 HG2 PRO 101 1HG PRO 101 1.490 -25.093 -3.272 788 HG3 PRO 101 2HG PRO 101 0.469 -24.110 -2.206 789 HD2 PRO 101 1HD PRO 101 1.211 -23.286 -4.676 790 HD3 PRO 101 2HD PRO 101 0.956 -22.158 -3.330 791 H SER 102 H SER 102 5.683 -24.448 -1.456 792 HA SER 102 HA SER 102 6.966 -25.615 -3.681 793 HB2 SER 102 1HB SER 102 8.307 -25.150 -1.773 794 HB3 SER 102 2HB SER 102 7.237 -26.060 -0.707 795 HG SER 102 HG SER 102 8.189 -27.586 -2.745 796 H GLY 103 H GLY 103 5.259 -27.213 -0.978 797 HA2 GLY 103 1HA GLY 103 5.278 -29.801 -1.790 798 HA3 GLY 103 2HA GLY 103 3.888 -29.072 -0.999 799 HA PRO 104 HA PRO 104 3.328 -29.330 -5.844 800 HB2 PRO 104 1HB PRO 104 4.182 -31.735 -6.769 801 HB3 PRO 104 2HB PRO 104 5.203 -30.292 -6.759 802 HG2 PRO 104 1HG PRO 104 5.134 -32.577 -4.826 803 HG3 PRO 104 2HG PRO 104 6.535 -31.740 -5.520 804 HD2 PRO 104 1HD PRO 104 5.619 -31.226 -3.024 805 HD3 PRO 104 2HD PRO 104 6.376 -29.981 -4.039 806 H SER 105 H SER 105 1.739 -30.645 -7.015 807 HA SER 105 HA SER 105 0.538 -32.921 -5.788 808 HB2 SER 105 1HB SER 105 -0.636 -30.213 -5.309 809 HB3 SER 105 2HB SER 105 -1.728 -31.575 -5.555 810 HG SER 105 HG SER 105 -0.766 -30.961 -3.316 811 H SER 106 H SER 106 -1.281 -33.740 -7.009 812 HA SER 106 HA SER 106 -0.979 -33.236 -9.816 813 HB2 SER 106 1HB SER 106 -2.593 -35.144 -8.161 814 HB3 SER 106 2HB SER 106 -2.984 -34.929 -9.867 815 HG SER 106 HG SER 106 -1.228 -35.970 -10.399 816 H GLY 107 H GLY 107 -3.775 -33.055 -7.601 817 HA2 GLY 107 1HA GLY 107 -4.974 -30.837 -7.737 818 HA3 GLY 107 2HA GLY 107 -4.984 -31.115 -9.473
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