NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14641 | 1x32 | 6589 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -11.345 -2.647 7.766 2 2H GLY 1 2HT GLY 1 -11.440 -3.296 9.325 3 3H GLY 1 3HT GLY 1 -9.936 -3.133 8.566 4 1HA GLY 1 1HA GLY 1 -11.711 -0.894 9.375 5 2HA GLY 1 2HA GLY 1 -10.274 -1.411 10.243 6 H SER 2 H SER 2 -11.464 0.057 7.283 7 HA SER 2 HA SER 2 -10.487 1.419 5.743 8 1HB SER 2 2HB SER 2 -8.641 2.022 8.066 9 2HB SER 2 1HB SER 2 -8.760 2.981 6.590 10 HG SER 2 HG SER 2 -10.825 3.555 7.137 11 H GLY 3 H GLY 3 -9.830 -1.061 5.192 12 1HA GLY 3 2HA GLY 3 -7.302 -0.840 3.902 13 2HA GLY 3 1HA GLY 3 -7.196 -1.905 5.296 14 H GLU 4 H GLU 4 -6.982 -2.396 2.352 15 HA GLU 4 HA GLU 4 -7.536 -4.011 0.864 16 1HB GLU 4 2HB GLU 4 -7.047 -5.620 2.441 17 2HB GLU 4 1HB GLU 4 -8.391 -5.170 3.485 18 1HG GLU 4 2HG GLU 4 -9.960 -6.244 2.010 19 2HG GLU 4 1HG GLU 4 -8.687 -6.585 0.839 20 H VAL 5 H VAL 5 -9.593 -1.833 1.765 21 HA VAL 5 HA VAL 5 -12.123 -3.012 1.059 22 HB VAL 5 HB VAL 5 -11.402 -0.094 1.355 23 1HG1 VAL 5 1HG1 VAL 5 -13.426 -0.413 0.052 24 2HG1 VAL 5 2HG1 VAL 5 -13.823 0.227 1.647 25 3HG1 VAL 5 3HG1 VAL 5 -14.080 -1.481 1.293 26 1HG2 VAL 5 1HG2 VAL 5 -10.985 -1.284 3.420 27 2HG2 VAL 5 2HG2 VAL 5 -12.576 -2.040 3.339 28 3HG2 VAL 5 3HG2 VAL 5 -12.438 -0.299 3.586 29 H ASN 6 H ASN 6 -9.794 -0.856 -0.472 30 HA ASN 6 HA ASN 6 -9.241 -0.592 -2.668 31 1HB ASN 6 2HB ASN 6 -10.047 -2.902 -3.066 32 2HB ASN 6 1HB ASN 6 -11.657 -2.255 -3.381 33 1HD2 ASN 6 1HD2 ASN 6 -8.385 -2.487 -4.530 34 2HD2 ASN 6 2HD2 ASN 6 -8.703 -1.966 -6.146 35 H LYS 7 H LYS 7 -10.611 1.358 -1.268 36 HA LYS 7 HA LYS 7 -12.366 2.526 -3.301 37 1HB LYS 7 2HB LYS 7 -13.471 3.685 -1.447 38 2HB LYS 7 1HB LYS 7 -13.486 1.951 -1.155 39 1HG LYS 7 2HG LYS 7 -11.499 2.224 0.315 40 2HG LYS 7 1HG LYS 7 -11.640 3.969 0.098 41 1HD LYS 7 2HD LYS 7 -13.835 2.227 1.204 42 2HD LYS 7 1HD LYS 7 -12.682 3.121 2.197 43 1HE LYS 7 2HE LYS 7 -13.439 5.213 1.111 44 2HE LYS 7 1HE LYS 7 -14.653 4.284 0.232 45 1HZ LYS 7 1HZ LYS 7 -15.661 3.660 2.323 46 2HZ LYS 7 2HZ LYS 7 -15.564 5.346 2.215 47 3HZ LYS 7 3HZ LYS 7 -14.472 4.498 3.189 48 H ILE 8 H ILE 8 -12.136 5.045 -1.571 49 HA ILE 8 HA ILE 8 -10.278 6.514 -2.885 50 HB ILE 8 HB ILE 8 -11.984 7.254 -1.223 51 1HG1 ILE 8 2HG1 ILE 8 -10.847 9.275 -0.641 52 2HG1 ILE 8 1HG1 ILE 8 -9.284 8.466 -0.622 53 1HG2 ILE 8 1HG2 ILE 8 -9.878 6.446 0.758 54 2HG2 ILE 8 2HG2 ILE 8 -11.523 5.828 0.621 55 3HG2 ILE 8 3HG2 ILE 8 -11.248 7.489 1.140 56 1HD1 ILE 8 1HD1 ILE 8 -9.222 8.335 -2.969 57 2HD1 ILE 8 2HD1 ILE 8 -9.747 9.971 -2.581 58 3HD1 ILE 8 3HD1 ILE 8 -10.923 8.770 -3.115 59 H ILE 9 H ILE 9 -8.038 6.854 -2.760 60 HA ILE 9 HA ILE 9 -6.663 5.437 -0.629 61 HB ILE 9 HB ILE 9 -4.927 4.668 -2.131 62 1HG1 ILE 9 2HG1 ILE 9 -6.648 5.854 -4.321 63 2HG1 ILE 9 1HG1 ILE 9 -5.067 6.445 -3.816 64 1HG2 ILE 9 1HG2 ILE 9 -7.210 3.476 -1.729 65 2HG2 ILE 9 2HG2 ILE 9 -6.047 2.841 -2.894 66 3HG2 ILE 9 3HG2 ILE 9 -7.433 3.780 -3.452 67 1HD1 ILE 9 1HD1 ILE 9 -5.542 3.691 -4.918 68 2HD1 ILE 9 2HD1 ILE 9 -3.994 4.484 -4.623 69 3HD1 ILE 9 3HD1 ILE 9 -5.062 5.079 -5.896 70 H GLY 10 H GLY 10 -5.236 6.522 0.438 71 1HA GLY 10 2HA GLY 10 -4.059 8.968 -0.680 72 2HA GLY 10 1HA GLY 10 -4.111 8.532 1.036 73 H SER 11 H SER 11 -1.703 9.103 -0.736 74 HA SER 11 HA SER 11 -0.277 6.711 -0.025 75 1HB SER 11 2HB SER 11 -0.475 5.700 -2.006 76 2HB SER 11 1HB SER 11 -1.330 7.086 -2.663 77 HG SER 11 HG SER 11 0.590 7.968 -3.320 78 H ARG 12 H ARG 12 1.283 7.659 1.117 79 HA ARG 12 HA ARG 12 3.302 9.126 -0.335 80 1HB ARG 12 2HB ARG 12 1.716 10.428 1.868 81 2HB ARG 12 1HB ARG 12 3.341 10.955 1.456 82 1HG ARG 12 2HG ARG 12 2.502 11.261 -0.908 83 2HG ARG 12 1HG ARG 12 0.878 11.037 -0.255 84 1HD ARG 12 2HD ARG 12 1.140 12.942 1.189 85 2HD ARG 12 1HD ARG 12 2.832 13.112 0.723 86 HE ARG 12 HE ARG 12 1.318 13.280 -1.600 87 1HH1 ARG 12 1HH1 ARG 12 1.720 15.051 1.372 88 2HH1 ARG 12 2HH1 ARG 12 1.327 16.582 0.665 89 1HH2 ARG 12 1HH2 ARG 12 0.800 15.292 -2.542 90 2HH2 ARG 12 2HH2 ARG 12 0.803 16.719 -1.560 91 H THR 13 H THR 13 4.933 7.669 0.217 92 HA THR 13 HA THR 13 5.274 7.264 3.093 93 HB THR 13 HB THR 13 6.630 5.327 1.382 94 HG1 THR 13 1HG THR 13 4.661 4.136 1.148 95 1HG2 THR 13 1HG2 THR 13 5.657 3.809 3.153 96 2HG2 THR 13 2HG2 THR 13 5.090 5.277 3.951 97 3HG2 THR 13 3HG2 THR 13 6.817 5.017 3.705 98 H ALA 14 H ALA 14 7.583 6.635 0.459 99 HA ALA 14 HA ALA 14 9.301 8.757 1.483 100 1HB ALA 14 1HB ALA 14 9.779 6.841 2.948 101 2HB ALA 14 2HB ALA 14 11.176 7.331 1.988 102 3HB ALA 14 3HB ALA 14 10.249 5.902 1.532 103 H GLY 15 H GLY 15 9.505 5.839 -0.563 104 1HA GLY 15 2HA GLY 15 9.564 6.255 -3.015 105 2HA GLY 15 1HA GLY 15 10.685 7.564 -2.661 106 H GLU 16 H GLU 16 12.187 6.167 -0.668 107 HA GLU 16 HA GLU 16 14.134 4.922 -2.247 108 1HB GLU 16 2HB GLU 16 14.404 5.911 0.083 109 2HB GLU 16 1HB GLU 16 13.698 4.425 0.701 110 1HG GLU 16 2HG GLU 16 15.510 3.128 -0.242 111 2HG GLU 16 1HG GLU 16 16.209 4.585 -0.948 112 H GLY 17 H GLY 17 11.335 3.728 -0.581 113 1HA GLY 17 2HA GLY 17 11.590 1.161 -1.954 114 2HA GLY 17 1HA GLY 17 11.458 1.134 -0.198 115 H ALA 18 H ALA 18 9.646 2.777 0.537 116 HA ALA 18 HA ALA 18 7.203 2.018 -0.899 117 1HB ALA 18 1HB ALA 18 6.057 2.368 1.206 118 2HB ALA 18 2HB ALA 18 7.548 2.970 1.938 119 3HB ALA 18 3HB ALA 18 7.426 1.277 1.445 120 H MET 19 H MET 19 5.545 3.599 -1.254 121 HA MET 19 HA MET 19 5.972 6.313 -0.487 122 1HB MET 19 2HB MET 19 7.349 5.520 -2.770 123 2HB MET 19 1HB MET 19 5.932 6.359 -3.393 124 1HG MET 19 2HG MET 19 7.643 7.531 -1.249 125 2HG MET 19 1HG MET 19 8.036 7.725 -2.954 126 1HE MET 19 1HE MET 19 6.531 11.205 -1.707 127 2HE MET 19 2HE MET 19 7.969 10.411 -2.348 128 3HE MET 19 3HE MET 19 7.422 10.055 -0.710 129 H GLU 20 H GLU 20 3.843 4.242 -0.576 130 HA GLU 20 HA GLU 20 1.730 6.001 -1.455 131 1HB GLU 20 2HB GLU 20 1.905 3.155 -2.375 132 2HB GLU 20 1HB GLU 20 0.542 4.209 -2.670 133 1HG GLU 20 2HG GLU 20 2.607 5.632 -3.733 134 2HG GLU 20 1HG GLU 20 3.119 3.969 -4.052 135 H TYR 21 H TYR 21 -0.506 4.322 -0.877 136 HA TYR 21 HA TYR 21 0.128 3.148 1.582 137 1HB TYR 21 2HB TYR 21 0.191 5.035 2.695 138 2HB TYR 21 1HB TYR 21 -0.786 5.875 1.530 139 HD1 TYR 21 1HD TYR 21 -2.228 7.048 2.818 140 HD2 TYR 21 2HD TYR 21 -1.807 2.867 3.577 141 HE1 TYR 21 1HE TYR 21 -4.097 7.155 4.372 142 HE2 TYR 21 2HE TYR 21 -3.684 2.982 5.161 143 HH TYR 21 HH TYR 21 -5.777 5.649 5.364 144 H LEU 22 H LEU 22 -2.674 4.352 -0.053 145 HA LEU 22 HA LEU 22 -4.163 2.365 1.390 146 1HB LEU 22 2HB LEU 22 -4.939 4.759 -0.100 147 2HB LEU 22 1HB LEU 22 -6.114 3.468 -0.022 148 HG LEU 22 HG LEU 22 -4.951 5.048 2.270 149 1HD1 LEU 22 1HD1 LEU 22 -6.898 6.029 1.177 150 2HD1 LEU 22 2HD1 LEU 22 -7.305 5.463 2.792 151 3HD1 LEU 22 3HD1 LEU 22 -7.782 4.521 1.383 152 1HD2 LEU 22 1HD2 LEU 22 -4.891 2.826 3.090 153 2HD2 LEU 22 2HD2 LEU 22 -6.445 2.438 2.360 154 3HD2 LEU 22 3HD2 LEU 22 -6.366 3.549 3.725 155 H ILE 23 H ILE 23 -5.617 1.017 0.698 156 HA ILE 23 HA ILE 23 -5.289 -1.114 -0.490 157 HB ILE 23 HB ILE 23 -7.566 -1.060 -1.631 158 1HG1 ILE 23 2HG1 ILE 23 -7.291 1.562 -1.708 159 2HG1 ILE 23 1HG1 ILE 23 -8.861 0.835 -1.489 160 1HG2 ILE 23 1HG2 ILE 23 -6.765 -0.885 1.168 161 2HG2 ILE 23 2HG2 ILE 23 -7.784 -2.062 0.343 162 3HG2 ILE 23 3HG2 ILE 23 -8.467 -0.531 0.880 163 1HD1 ILE 23 1HD1 ILE 23 -7.389 1.435 0.985 164 2HD1 ILE 23 2HD1 ILE 23 -9.094 1.645 0.597 165 3HD1 ILE 23 3HD1 ILE 23 -7.914 2.824 0.034 166 H GLU 24 H GLU 24 -7.095 -0.119 -3.177 167 HA GLU 24 HA GLU 24 -6.639 -0.441 -5.383 168 1HB GLU 24 2HB GLU 24 -5.094 1.709 -4.360 169 2HB GLU 24 1HB GLU 24 -4.086 0.847 -5.514 170 1HG GLU 24 2HG GLU 24 -6.829 1.964 -6.046 171 2HG GLU 24 1HG GLU 24 -5.299 2.655 -6.585 172 H TRP 25 H TRP 25 -5.492 -2.432 -3.416 173 HA TRP 25 HA TRP 25 -3.676 -3.668 -5.312 174 1HB TRP 25 2HB TRP 25 -2.155 -4.302 -3.327 175 2HB TRP 25 1HB TRP 25 -1.990 -2.723 -4.069 176 HD1 TRP 25 HD TRP 25 -4.458 -3.759 -1.160 177 HE1 TRP 25 1HE TRP 25 -3.928 -2.185 0.835 178 HE3 TRP 25 3HE TRP 25 -0.545 -1.091 -3.117 179 HZ2 TRP 25 2HZ TRP 25 -2.169 -0.215 1.473 180 HZ3 TRP 25 3HZ TRP 25 0.537 0.620 -1.672 181 HH2 TRP 25 HH TRP 25 -0.282 1.075 0.534 182 H LYS 26 H LYS 26 -6.375 -4.266 -4.362 183 HA LYS 26 HA LYS 26 -7.638 -5.971 -3.461 184 1HB LYS 26 2HB LYS 26 -5.631 -7.318 -5.254 185 2HB LYS 26 1HB LYS 26 -6.994 -8.177 -4.551 186 1HG LYS 26 2HG LYS 26 -8.509 -6.533 -5.641 187 2HG LYS 26 1HG LYS 26 -7.098 -5.846 -6.450 188 1HD LYS 26 2HD LYS 26 -6.650 -7.972 -7.532 189 2HD LYS 26 1HD LYS 26 -7.992 -8.721 -6.666 190 1HE LYS 26 2HE LYS 26 -8.641 -8.177 -8.943 191 2HE LYS 26 1HE LYS 26 -9.554 -7.204 -7.790 192 1HZ LYS 26 1HZ LYS 26 -8.055 -5.358 -8.219 193 2HZ LYS 26 2HZ LYS 26 -8.786 -5.878 -9.654 194 3HZ LYS 26 3HZ LYS 26 -7.179 -6.293 -9.323 195 H ASP 27 H ASP 27 -5.569 -5.231 -1.642 196 HA ASP 27 HA ASP 27 -4.389 -5.957 0.171 197 1HB ASP 27 2HB ASP 27 -5.615 -7.425 1.611 198 2HB ASP 27 1HB ASP 27 -6.770 -6.424 0.742 199 H GLY 28 H GLY 28 -3.079 -6.876 -2.057 200 1HA GLY 28 2HA GLY 28 -2.666 -9.608 -2.311 201 2HA GLY 28 1HA GLY 28 -1.423 -8.403 -2.598 202 H HIS 29 H HIS 29 -0.769 -7.377 -0.252 203 HA HIS 29 HA HIS 29 -0.309 -9.638 1.557 204 1HB HIS 29 2HB HIS 29 1.809 -7.560 0.810 205 2HB HIS 29 1HB HIS 29 1.996 -8.913 1.930 206 HD1 HIS 29 1HD HIS 29 2.138 -11.315 0.891 207 HD2 HIS 29 2HD HIS 29 2.119 -8.208 -1.868 208 HE1 HIS 29 1HE HIS 29 2.895 -12.337 -1.279 209 HE2 HIS 29 2HE HIS 29 2.804 -10.454 -2.951 210 H SER 30 H SER 30 -1.835 -8.905 3.011 211 HA SER 30 HA SER 30 -2.818 -7.552 4.600 212 1HB SER 30 2HB SER 30 0.074 -6.871 5.146 213 2HB SER 30 1HB SER 30 -1.262 -6.877 6.310 214 HG SER 30 HG SER 30 -0.013 -8.782 6.467 215 HA PRO 31 HA PRO 31 -3.219 -3.437 2.435 216 1HB PRO 31 2HB PRO 31 -4.545 -2.726 4.940 217 2HB PRO 31 1HB PRO 31 -5.220 -2.791 3.312 218 1HG PRO 31 2HG PRO 31 -5.333 -4.792 5.446 219 2HG PRO 31 1HG PRO 31 -6.299 -4.678 3.968 220 1HD PRO 31 2HD PRO 31 -4.474 -6.630 4.333 221 2HD PRO 31 1HD PRO 31 -4.784 -5.926 2.728 222 H SER 32 H SER 32 -1.751 -1.756 2.638 223 HA SER 32 HA SER 32 -0.493 -1.309 5.206 224 1HB SER 32 2HB SER 32 1.073 -2.374 2.911 225 2HB SER 32 1HB SER 32 1.757 -1.762 4.422 226 HG SER 32 HG SER 32 1.351 -4.136 4.184 227 H TRP 33 H TRP 33 0.860 0.593 5.357 228 HA TRP 33 HA TRP 33 0.248 2.483 3.212 229 1HB TRP 33 2HB TRP 33 0.207 3.231 5.613 230 2HB TRP 33 1HB TRP 33 1.903 2.792 5.764 231 HD1 TRP 33 HD TRP 33 3.479 4.210 3.741 232 HE1 TRP 33 1HE TRP 33 3.395 6.745 3.330 233 HE3 TRP 33 3HE TRP 33 -1.064 5.256 5.868 234 HZ2 TRP 33 2HZ TRP 33 1.631 8.909 3.818 235 HZ3 TRP 33 3HZ TRP 33 -1.870 7.582 5.841 236 HH2 TRP 33 HH TRP 33 -0.549 9.366 4.822 237 H VAL 34 H VAL 34 1.324 1.653 1.506 238 HA VAL 34 HA VAL 34 4.201 1.832 1.496 239 HB VAL 34 HB VAL 34 3.382 -0.848 0.533 240 1HG1 VAL 34 1HG1 VAL 34 5.661 0.490 1.672 241 2HG1 VAL 34 2HG1 VAL 34 5.614 -1.102 0.940 242 3HG1 VAL 34 3HG1 VAL 34 5.304 -0.917 2.658 243 1HG2 VAL 34 1HG2 VAL 34 3.212 -0.309 3.472 244 2HG2 VAL 34 2HG2 VAL 34 3.140 -1.879 2.682 245 3HG2 VAL 34 3HG2 VAL 34 1.870 -0.694 2.399 246 HA PRO 35 HA PRO 35 3.665 2.608 -2.827 247 1HB PRO 35 2HB PRO 35 5.597 1.407 -4.130 248 2HB PRO 35 1HB PRO 35 5.982 2.489 -2.784 249 1HG PRO 35 2HG PRO 35 5.826 -0.499 -2.825 250 2HG PRO 35 1HG PRO 35 7.076 0.533 -2.116 251 1HD PRO 35 2HD PRO 35 4.973 -0.579 -0.734 252 2HD PRO 35 1HD PRO 35 5.861 0.856 -0.215 253 H SER 36 H SER 36 1.688 1.848 -3.600 254 HA SER 36 HA SER 36 0.209 0.563 -4.774 255 1HB SER 36 2HB SER 36 1.482 1.538 -6.594 256 2HB SER 36 1HB SER 36 2.713 0.285 -6.450 257 HG SER 36 HG SER 36 0.345 0.232 -7.769 258 H SER 37 H SER 37 1.672 -0.819 -2.668 259 HA SER 37 HA SER 37 0.871 -3.443 -3.281 260 1HB SER 37 2HB SER 37 3.847 -3.233 -2.857 261 2HB SER 37 1HB SER 37 2.914 -4.591 -3.477 262 HG SER 37 HG SER 37 3.273 -3.832 -5.385 263 H TYR 38 H TYR 38 3.303 -4.112 -1.298 264 HA TYR 38 HA TYR 38 2.637 -2.922 1.180 265 1HB TYR 38 2HB TYR 38 1.892 -5.597 1.687 266 2HB TYR 38 1HB TYR 38 0.865 -4.180 1.796 267 HD1 TYR 38 1HD TYR 38 -1.136 -4.341 0.652 268 HD2 TYR 38 2HD TYR 38 2.299 -6.252 -0.953 269 HE1 TYR 38 1HE TYR 38 -2.448 -5.034 -1.318 270 HE2 TYR 38 2HE TYR 38 0.997 -6.971 -2.919 271 HH TYR 38 HH TYR 38 -1.031 -7.033 -3.879 272 H ILE 39 H ILE 39 4.737 -2.799 1.534 273 HA ILE 39 HA ILE 39 6.375 -5.193 1.180 274 HB ILE 39 HB ILE 39 8.026 -4.002 0.163 275 1HG1 ILE 39 2HG1 ILE 39 7.182 -1.751 1.941 276 2HG1 ILE 39 1HG1 ILE 39 8.786 -2.392 1.642 277 1HG2 ILE 39 1HG2 ILE 39 6.080 -3.862 -1.240 278 2HG2 ILE 39 2HG2 ILE 39 7.005 -2.368 -1.404 279 3HG2 ILE 39 3HG2 ILE 39 5.539 -2.403 -0.422 280 1HD1 ILE 39 1HD1 ILE 39 8.912 -0.315 0.685 281 2HD1 ILE 39 2HD1 ILE 39 7.254 -0.362 0.110 282 3HD1 ILE 39 3HD1 ILE 39 8.486 -1.315 -0.704 283 H ALA 40 H ALA 40 5.001 -4.679 3.529 284 HA ALA 40 HA ALA 40 6.659 -3.345 5.421 285 1HB ALA 40 1HB ALA 40 4.194 -3.749 5.555 286 2HB ALA 40 2HB ALA 40 5.106 -4.090 7.029 287 3HB ALA 40 3HB ALA 40 4.569 -5.415 5.993 288 H ALA 41 H ALA 41 8.712 -4.175 5.214 289 HA ALA 41 HA ALA 41 9.801 -5.898 6.907 290 1HB ALA 41 1HB ALA 41 10.106 -8.062 5.612 291 2HB ALA 41 2HB ALA 41 8.771 -7.527 4.591 292 3HB ALA 41 3HB ALA 41 8.513 -7.793 6.315 293 H ASP 42 H ASP 42 10.557 -3.683 5.390 294 HA ASP 42 HA ASP 42 12.266 -2.799 4.171 295 1HB ASP 42 2HB ASP 42 13.593 -3.926 5.915 296 2HB ASP 42 1HB ASP 42 13.632 -5.389 4.934 297 H VAL 43 H VAL 43 11.208 -2.835 2.156 298 HA VAL 43 HA VAL 43 12.546 -4.311 0.130 299 HB VAL 43 HB VAL 43 11.339 -6.229 0.579 300 1HG1 VAL 43 1HG1 VAL 43 9.264 -4.390 1.584 301 2HG1 VAL 43 2HG1 VAL 43 9.900 -5.881 2.277 302 3HG1 VAL 43 3HG1 VAL 43 8.721 -5.949 0.967 303 1HG2 VAL 43 1HG2 VAL 43 10.966 -5.707 -1.750 304 2HG2 VAL 43 2HG2 VAL 43 9.540 -4.755 -1.337 305 3HG2 VAL 43 3HG2 VAL 43 9.541 -6.498 -1.077 306 H VAL 44 H VAL 44 11.366 -3.845 -2.112 307 HA VAL 44 HA VAL 44 10.027 -1.230 -1.881 308 HB VAL 44 HB VAL 44 12.316 -0.829 -2.502 309 1HG1 VAL 44 1HG1 VAL 44 13.279 -1.740 -4.561 310 2HG1 VAL 44 2HG1 VAL 44 11.816 -2.690 -4.824 311 3HG1 VAL 44 3HG1 VAL 44 12.844 -3.020 -3.428 312 1HG2 VAL 44 1HG2 VAL 44 10.609 0.597 -3.529 313 2HG2 VAL 44 2HG2 VAL 44 10.507 -0.506 -4.898 314 3HG2 VAL 44 3HG2 VAL 44 11.996 0.387 -4.594 315 H SER 45 H SER 45 8.283 -0.891 -3.008 316 HA SER 45 HA SER 45 6.571 -1.059 -4.463 317 1HB SER 45 2HB SER 45 8.418 -0.738 -6.091 318 2HB SER 45 1HB SER 45 8.527 -2.490 -6.257 319 HG SER 45 HG SER 45 6.127 -1.059 -6.702 320 H GLU 46 H GLU 46 7.519 -3.650 -2.824 321 HA GLU 46 HA GLU 46 5.163 -5.068 -3.208 322 1HB GLU 46 2HB GLU 46 6.827 -5.469 -5.377 323 2HB GLU 46 1HB GLU 46 7.110 -6.893 -4.385 324 1HG GLU 46 2HG GLU 46 4.706 -7.346 -4.354 325 2HG GLU 46 1HG GLU 46 4.430 -5.925 -5.359 326 H TYR 47 H TYR 47 5.654 -7.607 -2.688 327 HA TYR 47 HA TYR 47 7.680 -7.911 -0.643 328 1HB TYR 47 2HB TYR 47 5.973 -6.949 0.717 329 2HB TYR 47 1HB TYR 47 4.724 -7.957 0.007 330 HD1 TYR 47 1HD TYR 47 7.983 -8.356 1.806 331 HD2 TYR 47 2HD TYR 47 3.993 -9.735 1.288 332 HE1 TYR 47 1HE TYR 47 8.322 -9.990 3.611 333 HE2 TYR 47 2HE TYR 47 4.320 -11.375 3.091 334 HH TYR 47 HH TYR 47 6.185 -12.552 4.196 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -13.293 -1.016 9.724 2 2H GLY 1 2HT GLY 1 -13.973 -2.512 9.323 3 3H GLY 1 3HT GLY 1 -13.757 -1.333 8.128 4 1HA GLY 1 1HA GLY 1 -11.577 -2.698 9.612 5 2HA GLY 1 2HA GLY 1 -12.078 -3.081 7.972 6 H SER 2 H SER 2 -12.350 -0.747 6.729 7 HA SER 2 HA SER 2 -11.224 0.932 5.689 8 1HB SER 2 2HB SER 2 -11.259 2.029 7.874 9 2HB SER 2 1HB SER 2 -9.806 1.154 8.356 10 HG SER 2 HG SER 2 -8.618 2.467 7.195 11 H GLY 3 H GLY 3 -10.358 -1.605 5.107 12 1HA GLY 3 2HA GLY 3 -7.726 -1.086 4.128 13 2HA GLY 3 1HA GLY 3 -7.698 -2.251 5.442 14 H GLU 4 H GLU 4 -7.028 -2.529 2.560 15 HA GLU 4 HA GLU 4 -7.313 -4.021 0.872 16 1HB GLU 4 2HB GLU 4 -7.108 -6.030 1.791 17 2HB GLU 4 1HB GLU 4 -7.630 -5.366 3.321 18 1HG GLU 4 2HG GLU 4 -9.987 -5.878 2.649 19 2HG GLU 4 1HG GLU 4 -9.336 -6.718 1.243 20 H VAL 5 H VAL 5 -9.680 -2.136 1.712 21 HA VAL 5 HA VAL 5 -11.958 -3.432 0.509 22 HB VAL 5 HB VAL 5 -11.635 -0.583 1.405 23 1HG1 VAL 5 1HG1 VAL 5 -14.142 -0.809 1.741 24 2HG1 VAL 5 2HG1 VAL 5 -14.034 -2.314 0.829 25 3HG1 VAL 5 3HG1 VAL 5 -13.579 -0.789 0.071 26 1HG2 VAL 5 1HG2 VAL 5 -12.530 -2.990 2.996 27 2HG2 VAL 5 2HG2 VAL 5 -12.694 -1.317 3.532 28 3HG2 VAL 5 3HG2 VAL 5 -11.091 -2.009 3.273 29 H ASN 6 H ASN 6 -9.296 -1.882 -0.718 30 HA ASN 6 HA ASN 6 -8.850 -0.450 -2.460 31 1HB ASN 6 2HB ASN 6 -9.048 -2.672 -3.399 32 2HB ASN 6 1HB ASN 6 -10.777 -2.446 -3.649 33 1HD2 ASN 6 1HD2 ASN 6 -8.049 -2.636 -5.277 34 2HD2 ASN 6 2HD2 ASN 6 -8.346 -1.530 -6.570 35 H LYS 7 H LYS 7 -10.040 1.346 -1.356 36 HA LYS 7 HA LYS 7 -12.036 2.438 -3.137 37 1HB LYS 7 2HB LYS 7 -13.579 2.892 -1.251 38 2HB LYS 7 1HB LYS 7 -13.331 1.170 -1.492 39 1HG LYS 7 2HG LYS 7 -12.502 0.898 0.540 40 2HG LYS 7 1HG LYS 7 -11.390 2.264 0.365 41 1HD LYS 7 2HD LYS 7 -12.803 2.855 2.155 42 2HD LYS 7 1HD LYS 7 -13.460 3.731 0.773 43 1HE LYS 7 2HE LYS 7 -14.495 1.122 1.872 44 2HE LYS 7 1HE LYS 7 -15.234 2.706 2.102 45 1HZ LYS 7 1HZ LYS 7 -14.978 1.176 -0.422 46 2HZ LYS 7 2HZ LYS 7 -15.408 2.810 -0.385 47 3HZ LYS 7 3HZ LYS 7 -16.398 1.660 0.360 48 H ILE 8 H ILE 8 -12.593 4.403 -0.824 49 HA ILE 8 HA ILE 8 -10.834 6.408 -1.512 50 HB ILE 8 HB ILE 8 -13.085 6.477 -0.354 51 1HG1 ILE 8 2HG1 ILE 8 -11.788 8.485 -0.874 52 2HG1 ILE 8 1HG1 ILE 8 -12.610 8.670 0.671 53 1HG2 ILE 8 1HG2 ILE 8 -12.300 5.048 1.579 54 2HG2 ILE 8 2HG2 ILE 8 -13.257 6.474 1.983 55 3HG2 ILE 8 3HG2 ILE 8 -11.506 6.499 2.192 56 1HD1 ILE 8 1HD1 ILE 8 -10.495 8.075 1.808 57 2HD1 ILE 8 2HD1 ILE 8 -10.394 9.549 0.848 58 3HD1 ILE 8 3HD1 ILE 8 -9.700 8.051 0.235 59 H ILE 9 H ILE 9 -8.694 6.257 -1.310 60 HA ILE 9 HA ILE 9 -7.567 6.022 1.325 61 HB ILE 9 HB ILE 9 -7.848 3.687 0.488 62 1HG1 ILE 9 2HG1 ILE 9 -5.813 2.906 1.400 63 2HG1 ILE 9 1HG1 ILE 9 -4.945 4.354 0.924 64 1HG2 ILE 9 1HG2 ILE 9 -6.061 2.962 -1.149 65 2HG2 ILE 9 2HG2 ILE 9 -5.960 4.665 -1.580 66 3HG2 ILE 9 3HG2 ILE 9 -7.481 3.793 -1.766 67 1HD1 ILE 9 1HD1 ILE 9 -5.650 3.975 3.390 68 2HD1 ILE 9 2HD1 ILE 9 -7.221 4.549 2.834 69 3HD1 ILE 9 3HD1 ILE 9 -5.799 5.579 2.675 70 H GLY 10 H GLY 10 -4.961 6.159 1.042 71 1HA GLY 10 2HA GLY 10 -4.451 8.190 -1.010 72 2HA GLY 10 1HA GLY 10 -4.066 8.522 0.674 73 H SER 11 H SER 11 -2.007 8.723 -1.061 74 HA SER 11 HA SER 11 -0.390 6.457 -0.294 75 1HB SER 11 2HB SER 11 0.417 6.209 -2.713 76 2HB SER 11 1HB SER 11 -1.201 5.602 -2.366 77 HG SER 11 HG SER 11 -2.007 7.597 -3.185 78 H ARG 12 H ARG 12 1.126 7.621 0.803 79 HA ARG 12 HA ARG 12 3.015 9.094 -0.809 80 1HB ARG 12 2HB ARG 12 1.388 10.855 -0.322 81 2HB ARG 12 1HB ARG 12 1.546 10.537 1.401 82 1HG ARG 12 2HG ARG 12 3.701 11.423 1.488 83 2HG ARG 12 1HG ARG 12 3.915 11.314 -0.259 84 1HD ARG 12 2HD ARG 12 2.006 13.159 1.173 85 2HD ARG 12 1HD ARG 12 3.555 13.626 0.471 86 HE ARG 12 HE ARG 12 1.977 12.398 -1.504 87 1HH1 ARG 12 1HH1 ARG 12 2.124 15.321 0.380 88 2HH1 ARG 12 2HH1 ARG 12 1.332 16.288 -0.819 89 1HH2 ARG 12 1HH2 ARG 12 0.935 13.660 -3.090 90 2HH2 ARG 12 2HH2 ARG 12 0.658 15.344 -2.793 91 H THR 13 H THR 13 4.737 7.735 -0.108 92 HA THR 13 HA THR 13 5.180 7.822 2.782 93 HB THR 13 HB THR 13 6.580 5.726 1.283 94 HG1 THR 13 1HG THR 13 4.757 4.443 1.181 95 1HG2 THR 13 1HG2 THR 13 5.225 5.932 3.954 96 2HG2 THR 13 2HG2 THR 13 6.958 5.874 3.633 97 3HG2 THR 13 3HG2 THR 13 5.957 4.452 3.337 98 H ALA 14 H ALA 14 7.603 6.916 0.327 99 HA ALA 14 HA ALA 14 9.117 9.315 1.030 100 1HB ALA 14 1HB ALA 14 10.243 6.559 1.486 101 2HB ALA 14 2HB ALA 14 9.742 7.691 2.742 102 3HB ALA 14 3HB ALA 14 11.103 8.084 1.693 103 H GLY 15 H GLY 15 9.360 6.208 -0.710 104 1HA GLY 15 2HA GLY 15 9.436 6.341 -3.170 105 2HA GLY 15 1HA GLY 15 10.497 7.729 -2.978 106 H GLU 16 H GLU 16 12.066 6.602 -0.858 107 HA GLU 16 HA GLU 16 14.065 5.319 -2.334 108 1HB GLU 16 2HB GLU 16 15.211 5.049 -0.258 109 2HB GLU 16 1HB GLU 16 14.322 6.564 -0.157 110 1HG GLU 16 2HG GLU 16 12.574 5.452 1.137 111 2HG GLU 16 1HG GLU 16 13.480 3.941 1.056 112 H GLY 17 H GLY 17 11.558 4.065 -0.210 113 1HA GLY 17 2HA GLY 17 11.946 1.401 -1.407 114 2HA GLY 17 1HA GLY 17 11.818 1.571 0.339 115 H ALA 18 H ALA 18 9.840 3.559 0.431 116 HA ALA 18 HA ALA 18 7.515 2.305 -0.833 117 1HB ALA 18 1HB ALA 18 7.723 3.200 2.035 118 2HB ALA 18 2HB ALA 18 7.597 1.528 1.472 119 3HB ALA 18 3HB ALA 18 6.245 2.642 1.247 120 H MET 19 H MET 19 5.752 3.764 -1.247 121 HA MET 19 HA MET 19 6.061 6.536 -0.608 122 1HB MET 19 2HB MET 19 7.565 5.777 -2.728 123 2HB MET 19 1HB MET 19 6.068 6.218 -3.540 124 1HG MET 19 2HG MET 19 6.146 8.413 -2.487 125 2HG MET 19 1HG MET 19 7.639 7.961 -1.678 126 1HE MET 19 1HE MET 19 8.772 10.599 -4.376 127 2HE MET 19 2HE MET 19 8.754 10.200 -2.659 128 3HE MET 19 3HE MET 19 7.248 10.589 -3.490 129 H GLU 20 H GLU 20 4.017 4.352 -0.615 130 HA GLU 20 HA GLU 20 1.853 6.023 -1.520 131 1HB GLU 20 2HB GLU 20 2.045 3.191 -2.531 132 2HB GLU 20 1HB GLU 20 0.766 4.330 -2.874 133 1HG GLU 20 2HG GLU 20 2.668 5.751 -3.910 134 2HG GLU 20 1HG GLU 20 3.565 4.228 -3.914 135 H TYR 21 H TYR 21 -0.312 4.640 -0.978 136 HA TYR 21 HA TYR 21 0.019 2.940 1.286 137 1HB TYR 21 2HB TYR 21 0.311 4.785 2.577 138 2HB TYR 21 1HB TYR 21 -0.639 5.804 1.529 139 HD1 TYR 21 1HD TYR 21 -2.336 6.767 2.587 140 HD2 TYR 21 2HD TYR 21 -1.424 2.720 3.599 141 HE1 TYR 21 1HE TYR 21 -4.175 6.767 4.173 142 HE2 TYR 21 2HE TYR 21 -3.276 2.727 5.221 143 HH TYR 21 HH TYR 21 -4.591 4.354 6.530 144 H LEU 22 H LEU 22 -1.654 3.480 -1.362 145 HA LEU 22 HA LEU 22 -4.195 3.129 -0.249 146 1HB LEU 22 2HB LEU 22 -4.934 3.028 -2.679 147 2HB LEU 22 1HB LEU 22 -4.156 4.509 -2.158 148 HG LEU 22 HG LEU 22 -2.041 3.690 -3.210 149 1HD1 LEU 22 1HD1 LEU 22 -3.815 1.389 -3.850 150 2HD1 LEU 22 2HD1 LEU 22 -2.108 1.412 -3.402 151 3HD1 LEU 22 3HD1 LEU 22 -2.598 1.881 -5.028 152 1HD2 LEU 22 1HD2 LEU 22 -2.849 4.026 -5.549 153 2HD2 LEU 22 2HD2 LEU 22 -3.369 5.264 -4.405 154 3HD2 LEU 22 3HD2 LEU 22 -4.497 4.009 -4.919 155 H ILE 23 H ILE 23 -5.387 1.759 0.064 156 HA ILE 23 HA ILE 23 -4.783 -0.976 0.033 157 HB ILE 23 HB ILE 23 -6.868 0.909 0.953 158 1HG1 ILE 23 2HG1 ILE 23 -6.441 -0.126 3.077 159 2HG1 ILE 23 1HG1 ILE 23 -5.516 -1.398 2.298 160 1HG2 ILE 23 1HG2 ILE 23 -7.487 -1.970 0.533 161 2HG2 ILE 23 2HG2 ILE 23 -8.443 -0.531 0.154 162 3HG2 ILE 23 3HG2 ILE 23 -8.219 -1.022 1.828 163 1HD1 ILE 23 1HD1 ILE 23 -4.060 0.233 3.343 164 2HD1 ILE 23 2HD1 ILE 23 -4.787 1.516 2.377 165 3HD1 ILE 23 3HD1 ILE 23 -3.855 0.241 1.592 166 H GLU 24 H GLU 24 -5.462 0.817 -2.552 167 HA GLU 24 HA GLU 24 -7.512 -0.663 -3.821 168 1HB GLU 24 2HB GLU 24 -6.178 1.769 -4.203 169 2HB GLU 24 1HB GLU 24 -5.727 0.784 -5.593 170 1HG GLU 24 2HG GLU 24 -7.656 2.045 -6.174 171 2HG GLU 24 1HG GLU 24 -8.146 0.362 -5.996 172 H TRP 25 H TRP 25 -4.666 -1.812 -2.866 173 HA TRP 25 HA TRP 25 -3.781 -3.006 -5.338 174 1HB TRP 25 2HB TRP 25 -2.290 -4.303 -3.511 175 2HB TRP 25 1HB TRP 25 -1.867 -2.724 -4.151 176 HD1 TRP 25 HD TRP 25 -3.991 -3.964 -1.085 177 HE1 TRP 25 1HE TRP 25 -3.316 -2.477 0.951 178 HE3 TRP 25 3HE TRP 25 -0.538 -0.867 -3.303 179 HZ2 TRP 25 2HZ TRP 25 -1.722 -0.369 1.464 180 HZ3 TRP 25 3HZ TRP 25 0.550 0.849 -1.874 181 HH2 TRP 25 HH TRP 25 -0.033 1.096 0.432 182 H LYS 26 H LYS 26 -6.465 -3.660 -4.427 183 HA LYS 26 HA LYS 26 -7.858 -5.426 -4.148 184 1HB LYS 26 2HB LYS 26 -6.711 -5.900 -6.351 185 2HB LYS 26 1HB LYS 26 -5.645 -6.993 -5.478 186 1HG LYS 26 2HG LYS 26 -7.730 -8.220 -4.733 187 2HG LYS 26 1HG LYS 26 -8.608 -7.242 -5.907 188 1HD LYS 26 2HD LYS 26 -7.371 -8.150 -7.718 189 2HD LYS 26 1HD LYS 26 -6.207 -8.909 -6.629 190 1HE LYS 26 2HE LYS 26 -7.977 -10.373 -5.773 191 2HE LYS 26 1HE LYS 26 -9.127 -9.623 -6.879 192 1HZ LYS 26 1HZ LYS 26 -8.257 -11.735 -7.719 193 2HZ LYS 26 2HZ LYS 26 -6.688 -11.101 -7.709 194 3HZ LYS 26 3HZ LYS 26 -7.857 -10.444 -8.740 195 H ASP 27 H ASP 27 -6.125 -4.905 -1.890 196 HA ASP 27 HA ASP 27 -5.493 -5.898 0.067 197 1HB ASP 27 2HB ASP 27 -7.777 -6.746 0.078 198 2HB ASP 27 1HB ASP 27 -7.318 -8.075 -0.979 199 H GLY 28 H GLY 28 -4.045 -6.404 -2.540 200 1HA GLY 28 2HA GLY 28 -3.012 -8.898 -2.891 201 2HA GLY 28 1HA GLY 28 -2.037 -7.440 -3.034 202 H HIS 29 H HIS 29 -1.431 -6.503 -0.773 203 HA HIS 29 HA HIS 29 -0.851 -8.663 1.079 204 1HB HIS 29 2HB HIS 29 1.095 -7.341 -0.558 205 2HB HIS 29 1HB HIS 29 1.376 -6.907 1.124 206 HD1 HIS 29 1HD HIS 29 2.899 -8.455 2.281 207 HD2 HIS 29 2HD HIS 29 0.782 -10.362 -0.745 208 HE1 HIS 29 1HE HIS 29 3.741 -10.823 2.262 209 HE2 HIS 29 2HE HIS 29 2.404 -11.975 0.464 210 H SER 30 H SER 30 -2.244 -7.977 2.569 211 HA SER 30 HA SER 30 -3.269 -6.640 4.135 212 1HB SER 30 2HB SER 30 -0.343 -6.177 4.649 213 2HB SER 30 1HB SER 30 -1.643 -5.991 5.840 214 HG SER 30 HG SER 30 -0.415 -8.265 4.931 215 HA PRO 31 HA PRO 31 -3.897 -2.184 2.727 216 1HB PRO 31 2HB PRO 31 -4.651 -2.037 5.578 217 2HB PRO 31 1HB PRO 31 -5.662 -1.763 4.168 218 1HG PRO 31 2HG PRO 31 -5.401 -4.165 5.801 219 2HG PRO 31 1HG PRO 31 -6.630 -3.773 4.597 220 1HD PRO 31 2HD PRO 31 -4.842 -5.727 4.187 221 2HD PRO 31 1HD PRO 31 -5.388 -4.696 2.845 222 H SER 32 H SER 32 -2.153 -0.893 2.760 223 HA SER 32 HA SER 32 -0.562 -0.637 5.114 224 1HB SER 32 2HB SER 32 0.142 -2.739 4.093 225 2HB SER 32 1HB SER 32 0.788 -1.785 2.759 226 HG SER 32 HG SER 32 2.315 -2.288 4.474 227 H TRP 33 H TRP 33 0.971 1.009 5.155 228 HA TRP 33 HA TRP 33 0.510 2.922 3.005 229 1HB TRP 33 2HB TRP 33 0.509 3.551 5.470 230 2HB TRP 33 1HB TRP 33 2.230 3.184 5.511 231 HD1 TRP 33 HD TRP 33 3.713 4.745 3.642 232 HE1 TRP 33 1HE TRP 33 3.440 7.252 3.171 233 HE3 TRP 33 3HE TRP 33 -0.978 5.437 5.531 234 HZ2 TRP 33 2HZ TRP 33 1.491 9.268 3.524 235 HZ3 TRP 33 3HZ TRP 33 -1.982 7.680 5.415 236 HH2 TRP 33 HH TRP 33 -0.773 9.555 4.417 237 H VAL 34 H VAL 34 1.530 1.933 1.340 238 HA VAL 34 HA VAL 34 4.412 1.882 1.334 239 HB VAL 34 HB VAL 34 3.345 -0.697 0.424 240 1HG1 VAL 34 1HG1 VAL 34 5.236 -0.826 2.605 241 2HG1 VAL 34 2HG1 VAL 34 5.746 0.388 1.438 242 3HG1 VAL 34 3HG1 VAL 34 5.475 -1.269 0.922 243 1HG2 VAL 34 1HG2 VAL 34 2.852 -1.706 2.495 244 2HG2 VAL 34 2HG2 VAL 34 1.831 -0.277 2.320 245 3HG2 VAL 34 3HG2 VAL 34 3.244 -0.227 3.373 246 HA PRO 35 HA PRO 35 3.728 2.513 -3.020 247 1HB PRO 35 2HB PRO 35 5.896 1.681 -4.189 248 2HB PRO 35 1HB PRO 35 6.050 2.794 -2.823 249 1HG PRO 35 2HG PRO 35 6.317 -0.192 -2.859 250 2HG PRO 35 1HG PRO 35 7.413 0.997 -2.141 251 1HD PRO 35 2HD PRO 35 5.440 -0.348 -0.771 252 2HD PRO 35 1HD PRO 35 6.111 1.192 -0.253 253 H SER 36 H SER 36 2.242 1.629 -4.247 254 HA SER 36 HA SER 36 1.512 0.478 -6.092 255 1HB SER 36 2HB SER 36 3.804 -1.441 -5.658 256 2HB SER 36 1HB SER 36 2.793 -1.308 -7.094 257 HG SER 36 HG SER 36 5.005 -0.118 -6.809 258 H SER 37 H SER 37 2.657 -1.741 -3.546 259 HA SER 37 HA SER 37 -0.065 -2.785 -3.400 260 1HB SER 37 2HB SER 37 2.363 -4.542 -3.818 261 2HB SER 37 1HB SER 37 0.740 -5.124 -3.450 262 HG SER 37 HG SER 37 1.322 -3.495 -5.692 263 H TYR 38 H TYR 38 3.149 -3.615 -2.128 264 HA TYR 38 HA TYR 38 2.718 -2.647 0.483 265 1HB TYR 38 2HB TYR 38 0.954 -4.305 0.571 266 2HB TYR 38 1HB TYR 38 2.092 -5.559 0.061 267 HD1 TYR 38 1HD TYR 38 0.591 -3.904 2.835 268 HD2 TYR 38 2HD TYR 38 4.054 -5.905 1.519 269 HE1 TYR 38 1HE TYR 38 1.222 -4.319 5.176 270 HE2 TYR 38 2HE TYR 38 4.745 -6.354 3.799 271 HH TYR 38 HH TYR 38 4.330 -5.411 6.070 272 H ILE 39 H ILE 39 4.640 -2.866 1.628 273 HA ILE 39 HA ILE 39 6.483 -4.940 1.063 274 HB ILE 39 HB ILE 39 7.832 -4.131 -0.483 275 1HG1 ILE 39 2HG1 ILE 39 9.118 -2.755 1.074 276 2HG1 ILE 39 1HG1 ILE 39 8.981 -1.983 -0.488 277 1HG2 ILE 39 1HG2 ILE 39 7.077 -1.968 -1.707 278 2HG2 ILE 39 2HG2 ILE 39 5.651 -2.145 -0.689 279 3HG2 ILE 39 3HG2 ILE 39 6.112 -3.439 -1.765 280 1HD1 ILE 39 1HD1 ILE 39 7.246 -0.510 0.379 281 2HD1 ILE 39 2HD1 ILE 39 8.761 -0.359 1.262 282 3HD1 ILE 39 3HD1 ILE 39 7.418 -1.247 1.968 283 H ALA 40 H ALA 40 5.062 -3.887 3.236 284 HA ALA 40 HA ALA 40 6.738 -2.253 4.861 285 1HB ALA 40 1HB ALA 40 5.214 -2.714 6.627 286 2HB ALA 40 2HB ALA 40 4.631 -4.169 5.823 287 3HB ALA 40 3HB ALA 40 4.270 -2.585 5.141 288 H ALA 41 H ALA 41 8.785 -3.114 4.817 289 HA ALA 41 HA ALA 41 9.811 -4.543 6.827 290 1HB ALA 41 1HB ALA 41 10.173 -6.868 5.857 291 2HB ALA 41 2HB ALA 41 8.873 -6.488 4.727 292 3HB ALA 41 3HB ALA 41 8.556 -6.514 6.462 293 H ASP 42 H ASP 42 10.595 -2.559 5.020 294 HA ASP 42 HA ASP 42 12.369 -1.821 3.811 295 1HB ASP 42 2HB ASP 42 13.632 -4.299 4.997 296 2HB ASP 42 1HB ASP 42 14.524 -3.049 4.137 297 H VAL 43 H VAL 43 11.259 -2.141 1.817 298 HA VAL 43 HA VAL 43 12.666 -3.919 0.027 299 HB VAL 43 HB VAL 43 9.725 -4.248 -0.218 300 1HG1 VAL 43 1HG1 VAL 43 12.178 -5.574 -1.058 301 2HG1 VAL 43 2HG1 VAL 43 10.580 -5.566 -1.807 302 3HG1 VAL 43 3HG1 VAL 43 10.935 -6.692 -0.499 303 1HG2 VAL 43 1HG2 VAL 43 10.042 -4.601 2.191 304 2HG2 VAL 43 2HG2 VAL 43 11.295 -5.793 1.845 305 3HG2 VAL 43 3HG2 VAL 43 9.628 -6.101 1.361 306 H VAL 44 H VAL 44 10.466 -3.659 -2.031 307 HA VAL 44 HA VAL 44 9.875 -0.895 -2.273 308 HB VAL 44 HB VAL 44 12.243 -0.690 -2.699 309 1HG1 VAL 44 1HG1 VAL 44 11.818 -2.598 -4.997 310 2HG1 VAL 44 2HG1 VAL 44 12.649 -2.981 -3.490 311 3HG1 VAL 44 3HG1 VAL 44 13.322 -1.774 -4.586 312 1HG2 VAL 44 1HG2 VAL 44 12.147 0.407 -4.895 313 2HG2 VAL 44 2HG2 VAL 44 10.745 0.800 -3.900 314 3HG2 VAL 44 3HG2 VAL 44 10.597 -0.375 -5.208 315 H SER 45 H SER 45 8.084 -0.804 -3.315 316 HA SER 45 HA SER 45 6.449 -1.044 -4.837 317 1HB SER 45 2HB SER 45 8.229 -0.628 -6.474 318 2HB SER 45 1HB SER 45 8.569 -2.357 -6.541 319 HG SER 45 HG SER 45 6.812 -1.020 -7.964 320 H GLU 46 H GLU 46 7.521 -3.533 -3.140 321 HA GLU 46 HA GLU 46 5.227 -5.077 -3.506 322 1HB GLU 46 2HB GLU 46 6.966 -5.473 -5.614 323 2HB GLU 46 1HB GLU 46 7.293 -6.845 -4.564 324 1HG GLU 46 2HG GLU 46 5.034 -7.562 -4.655 325 2HG GLU 46 1HG GLU 46 4.526 -6.068 -5.443 326 H TYR 47 H TYR 47 5.020 -6.773 -2.076 327 HA TYR 47 HA TYR 47 6.533 -6.714 0.248 328 1HB TYR 47 2HB TYR 47 5.326 -8.882 0.783 329 2HB TYR 47 1HB TYR 47 4.285 -7.519 0.370 330 HD1 TYR 47 1HD TYR 47 5.515 -10.806 -0.692 331 HD2 TYR 47 2HD TYR 47 3.049 -7.496 -1.725 332 HE1 TYR 47 1HE TYR 47 4.430 -12.164 -2.430 333 HE2 TYR 47 2HE TYR 47 1.958 -8.846 -3.467 334 HH TYR 47 HH TYR 47 2.433 -10.823 -4.831 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -8.118 -6.550 9.427 2 2H GLY 1 2HT GLY 1 -6.746 -6.245 10.368 3 3H GLY 1 3HT GLY 1 -6.739 -7.513 9.248 4 1HA GLY 1 1HA GLY 1 -5.487 -5.647 8.391 5 2HA GLY 1 2HA GLY 1 -6.917 -5.955 7.418 6 H SER 2 H SER 2 -5.670 -3.524 7.287 7 HA SER 2 HA SER 2 -7.425 -1.742 8.839 8 1HB SER 2 2HB SER 2 -5.034 -1.354 9.230 9 2HB SER 2 1HB SER 2 -4.777 -1.133 7.501 10 HG SER 2 HG SER 2 -5.000 0.882 8.384 11 H GLY 3 H GLY 3 -6.355 -2.637 5.640 12 1HA GLY 3 2HA GLY 3 -8.409 -0.831 4.535 13 2HA GLY 3 1HA GLY 3 -6.856 -1.039 3.750 14 H GLU 4 H GLU 4 -6.831 -2.383 2.084 15 HA GLU 4 HA GLU 4 -7.439 -4.036 0.644 16 1HB GLU 4 2HB GLU 4 -6.818 -5.651 2.161 17 2HB GLU 4 1HB GLU 4 -8.029 -5.182 3.344 18 1HG GLU 4 2HG GLU 4 -8.956 -6.405 0.798 19 2HG GLU 4 1HG GLU 4 -8.172 -7.441 1.985 20 H VAL 5 H VAL 5 -9.203 -1.805 1.330 21 HA VAL 5 HA VAL 5 -11.839 -2.967 0.855 22 HB VAL 5 HB VAL 5 -11.171 -0.140 1.665 23 1HG1 VAL 5 1HG1 VAL 5 -13.553 0.040 2.168 24 2HG1 VAL 5 2HG1 VAL 5 -13.805 -1.610 1.599 25 3HG1 VAL 5 3HG1 VAL 5 -13.290 -0.357 0.469 26 1HG2 VAL 5 1HG2 VAL 5 -11.932 -0.768 3.897 27 2HG2 VAL 5 2HG2 VAL 5 -10.545 -1.743 3.408 28 3HG2 VAL 5 3HG2 VAL 5 -12.169 -2.430 3.359 29 H ASN 6 H ASN 6 -9.319 -1.166 -0.654 30 HA ASN 6 HA ASN 6 -9.165 -0.024 -2.639 31 1HB ASN 6 2HB ASN 6 -10.990 -2.335 -3.206 32 2HB ASN 6 1HB ASN 6 -10.681 -1.150 -4.470 33 1HD2 ASN 6 1HD2 ASN 6 -8.669 -1.023 -5.396 34 2HD2 ASN 6 2HD2 ASN 6 -7.451 -2.223 -5.159 35 H LYS 7 H LYS 7 -10.135 1.905 -1.687 36 HA LYS 7 HA LYS 7 -12.739 2.491 -2.892 37 1HB LYS 7 2HB LYS 7 -13.023 3.863 -0.596 38 2HB LYS 7 1HB LYS 7 -13.617 2.229 -0.833 39 1HG LYS 7 2HG LYS 7 -12.125 1.326 0.595 40 2HG LYS 7 1HG LYS 7 -10.824 2.439 0.148 41 1HD LYS 7 2HD LYS 7 -11.844 4.192 1.483 42 2HD LYS 7 1HD LYS 7 -13.225 3.156 1.846 43 1HE LYS 7 2HE LYS 7 -11.704 1.582 2.984 44 2HE LYS 7 1HE LYS 7 -10.364 2.686 2.677 45 1HZ LYS 7 1HZ LYS 7 -11.456 4.355 4.014 46 2HZ LYS 7 2HZ LYS 7 -11.275 2.936 4.915 47 3HZ LYS 7 3HZ LYS 7 -12.785 3.340 4.270 48 H ILE 8 H ILE 8 -11.306 4.721 -0.618 49 HA ILE 8 HA ILE 8 -10.260 6.370 -2.808 50 HB ILE 8 HB ILE 8 -12.478 7.242 -2.426 51 1HG1 ILE 8 2HG1 ILE 8 -11.972 9.525 -1.896 52 2HG1 ILE 8 1HG1 ILE 8 -10.585 9.055 -0.919 53 1HG2 ILE 8 1HG2 ILE 8 -13.333 7.862 -0.289 54 2HG2 ILE 8 2HG2 ILE 8 -11.777 7.569 0.484 55 3HG2 ILE 8 3HG2 ILE 8 -12.710 6.216 -0.155 56 1HD1 ILE 8 1HD1 ILE 8 -10.802 8.693 -3.897 57 2HD1 ILE 8 2HD1 ILE 8 -9.396 8.339 -2.891 58 3HD1 ILE 8 3HD1 ILE 8 -9.945 10.003 -3.085 59 H ILE 9 H ILE 9 -8.165 6.597 -2.298 60 HA ILE 9 HA ILE 9 -7.484 7.557 0.365 61 HB ILE 9 HB ILE 9 -7.478 5.180 0.584 62 1HG1 ILE 9 2HG1 ILE 9 -5.090 4.754 1.144 63 2HG1 ILE 9 1HG1 ILE 9 -4.674 6.295 0.429 64 1HG2 ILE 9 1HG2 ILE 9 -7.187 3.974 -1.240 65 2HG2 ILE 9 2HG2 ILE 9 -5.456 4.200 -1.020 66 3HG2 ILE 9 3HG2 ILE 9 -6.356 5.290 -2.066 67 1HD1 ILE 9 1HD1 ILE 9 -6.217 7.364 2.071 68 2HD1 ILE 9 2HD1 ILE 9 -4.813 6.566 2.784 69 3HD1 ILE 9 3HD1 ILE 9 -6.392 5.782 2.832 70 H GLY 10 H GLY 10 -5.182 8.186 0.549 71 1HA GLY 10 2HA GLY 10 -4.136 9.196 -2.036 72 2HA GLY 10 1HA GLY 10 -3.914 10.009 -0.488 73 H SER 11 H SER 11 -2.276 8.270 -2.725 74 HA SER 11 HA SER 11 -0.768 6.738 -0.750 75 1HB SER 11 2HB SER 11 0.185 5.996 -3.241 76 2HB SER 11 1HB SER 11 -0.934 5.071 -2.225 77 HG SER 11 HG SER 11 -1.949 5.366 -4.160 78 H ARG 12 H ARG 12 0.710 7.656 0.113 79 HA ARG 12 HA ARG 12 2.977 8.630 -1.402 80 1HB ARG 12 2HB ARG 12 3.031 10.858 -0.259 81 2HB ARG 12 1HB ARG 12 1.739 10.668 -1.438 82 1HG ARG 12 2HG ARG 12 0.137 10.288 0.339 83 2HG ARG 12 1HG ARG 12 1.421 10.388 1.544 84 1HD ARG 12 2HD ARG 12 0.592 12.603 -0.328 85 2HD ARG 12 1HD ARG 12 0.142 12.480 1.372 86 HE ARG 12 HE ARG 12 2.980 12.436 0.936 87 1HH1 ARG 12 1HH1 ARG 12 0.185 14.471 1.341 88 2HH1 ARG 12 2HH1 ARG 12 1.095 15.830 1.911 89 1HH2 ARG 12 1HH2 ARG 12 4.190 14.220 1.687 90 2HH2 ARG 12 2HH2 ARG 12 3.372 15.688 2.107 91 H THR 13 H THR 13 4.632 7.555 -0.360 92 HA THR 13 HA THR 13 4.613 7.679 2.578 93 HB THR 13 HB THR 13 6.232 5.580 1.209 94 HG1 THR 13 1HG THR 13 4.469 4.169 1.409 95 1HG2 THR 13 1HG2 THR 13 6.695 5.866 3.517 96 2HG2 THR 13 2HG2 THR 13 5.723 4.403 3.362 97 3HG2 THR 13 3HG2 THR 13 4.980 5.902 3.920 98 H ALA 14 H ALA 14 7.235 6.875 0.314 99 HA ALA 14 HA ALA 14 8.692 9.249 1.135 100 1HB ALA 14 1HB ALA 14 9.783 6.495 1.701 101 2HB ALA 14 2HB ALA 14 9.208 7.646 2.908 102 3HB ALA 14 3HB ALA 14 10.635 8.021 1.941 103 H GLY 15 H GLY 15 9.142 6.089 -0.481 104 1HA GLY 15 2HA GLY 15 9.353 6.119 -2.932 105 2HA GLY 15 1HA GLY 15 10.300 7.588 -2.756 106 H GLU 16 H GLU 16 11.869 6.657 -0.522 107 HA GLU 16 HA GLU 16 14.005 5.470 -1.885 108 1HB GLU 16 2HB GLU 16 14.325 6.753 0.163 109 2HB GLU 16 1HB GLU 16 13.423 5.556 1.083 110 1HG GLU 16 2HG GLU 16 15.771 5.261 1.469 111 2HG GLU 16 1HG GLU 16 15.155 3.887 0.552 112 H GLY 17 H GLY 17 11.261 4.110 -0.272 113 1HA GLY 17 2HA GLY 17 12.006 1.459 -1.233 114 2HA GLY 17 1HA GLY 17 11.771 1.629 0.503 115 H ALA 18 H ALA 18 9.657 3.404 0.566 116 HA ALA 18 HA ALA 18 7.503 2.032 -0.861 117 1HB ALA 18 1HB ALA 18 7.588 2.858 2.033 118 2HB ALA 18 2HB ALA 18 7.524 1.207 1.408 119 3HB ALA 18 3HB ALA 18 6.145 2.287 1.200 120 H MET 19 H MET 19 5.650 3.369 -1.321 121 HA MET 19 HA MET 19 5.725 6.118 -0.543 122 1HB MET 19 2HB MET 19 7.401 5.569 -2.574 123 2HB MET 19 1HB MET 19 5.935 5.941 -3.472 124 1HG MET 19 2HG MET 19 5.784 8.092 -2.343 125 2HG MET 19 1HG MET 19 7.240 7.710 -1.430 126 1HE MET 19 1HE MET 19 6.731 6.681 -5.181 127 2HE MET 19 2HE MET 19 7.256 8.138 -6.024 128 3HE MET 19 3HE MET 19 5.784 8.164 -5.052 129 H GLU 20 H GLU 20 3.517 4.475 -0.199 130 HA GLU 20 HA GLU 20 1.714 5.958 -1.835 131 1HB GLU 20 2HB GLU 20 2.029 3.082 -2.270 132 2HB GLU 20 1HB GLU 20 0.443 3.776 -2.479 133 1HG GLU 20 2HG GLU 20 1.966 5.522 -3.863 134 2HG GLU 20 1HG GLU 20 2.881 4.029 -4.100 135 H TYR 21 H TYR 21 -0.149 3.287 -0.762 136 HA TYR 21 HA TYR 21 -0.696 4.551 1.811 137 1HB TYR 21 2HB TYR 21 -2.942 5.269 1.127 138 2HB TYR 21 1HB TYR 21 -1.647 5.962 0.221 139 HD1 TYR 21 1HD TYR 21 -3.834 6.451 -1.362 140 HD2 TYR 21 2HD TYR 21 -1.903 2.690 -0.832 141 HE1 TYR 21 1HE TYR 21 -4.905 5.594 -3.371 142 HE2 TYR 21 2HE TYR 21 -2.979 1.844 -2.817 143 HH TYR 21 HH TYR 21 -4.941 2.299 -4.206 144 H LEU 22 H LEU 22 -3.677 3.647 1.114 145 HA LEU 22 HA LEU 22 -3.433 0.853 1.331 146 1HB LEU 22 2HB LEU 22 -5.179 1.228 3.406 147 2HB LEU 22 1HB LEU 22 -3.496 0.763 3.558 148 HG LEU 22 HG LEU 22 -3.022 3.304 3.636 149 1HD1 LEU 22 1HD1 LEU 22 -5.957 3.265 4.311 150 2HD1 LEU 22 2HD1 LEU 22 -5.204 4.074 2.939 151 3HD1 LEU 22 3HD1 LEU 22 -4.866 4.625 4.578 152 1HD2 LEU 22 1HD2 LEU 22 -2.711 1.812 5.525 153 2HD2 LEU 22 2HD2 LEU 22 -4.431 1.898 5.899 154 3HD2 LEU 22 3HD2 LEU 22 -3.422 3.335 6.057 155 H ILE 23 H ILE 23 -5.548 -0.193 1.435 156 HA ILE 23 HA ILE 23 -7.490 -0.726 0.460 157 HB ILE 23 HB ILE 23 -9.362 0.804 0.654 158 1HG1 ILE 23 2HG1 ILE 23 -7.798 2.890 0.175 159 2HG1 ILE 23 1HG1 ILE 23 -9.259 3.052 1.121 160 1HG2 ILE 23 1HG2 ILE 23 -9.144 1.242 3.124 161 2HG2 ILE 23 2HG2 ILE 23 -7.498 0.620 2.987 162 3HG2 ILE 23 3HG2 ILE 23 -8.869 -0.416 2.591 163 1HD1 ILE 23 1HD1 ILE 23 -8.140 3.628 2.972 164 2HD1 ILE 23 2HD1 ILE 23 -6.807 3.960 1.868 165 3HD1 ILE 23 3HD1 ILE 23 -6.884 2.417 2.711 166 H GLU 24 H GLU 24 -5.972 -0.727 -1.555 167 HA GLU 24 HA GLU 24 -7.539 0.001 -3.738 168 1HB GLU 24 2HB GLU 24 -6.792 2.310 -3.030 169 2HB GLU 24 1HB GLU 24 -5.166 1.838 -3.495 170 1HG GLU 24 2HG GLU 24 -5.615 1.947 -5.704 171 2HG GLU 24 1HG GLU 24 -7.285 1.418 -5.504 172 H TRP 25 H TRP 25 -5.970 -2.284 -2.956 173 HA TRP 25 HA TRP 25 -4.541 -2.632 -5.455 174 1HB TRP 25 2HB TRP 25 -2.611 -3.716 -3.938 175 2HB TRP 25 1HB TRP 25 -2.567 -2.060 -4.521 176 HD1 TRP 25 HD TRP 25 -4.528 -3.426 -1.429 177 HE1 TRP 25 1HE TRP 25 -3.750 -2.062 0.605 178 HE3 TRP 25 3HE TRP 25 -0.885 -0.576 -3.649 179 HZ2 TRP 25 2HZ TRP 25 -1.866 -0.102 1.186 180 HZ3 TRP 25 3HZ TRP 25 0.374 1.023 -2.239 181 HH2 TRP 25 HH TRP 25 -0.161 1.341 0.086 182 H LYS 26 H LYS 26 -6.896 -3.834 -4.250 183 HA LYS 26 HA LYS 26 -7.870 -5.877 -4.038 184 1HB LYS 26 2HB LYS 26 -5.406 -6.770 -5.542 185 2HB LYS 26 1HB LYS 26 -6.863 -7.730 -5.319 186 1HG LYS 26 2HG LYS 26 -8.148 -6.055 -6.559 187 2HG LYS 26 1HG LYS 26 -6.674 -5.115 -6.799 188 1HD LYS 26 2HD LYS 26 -7.120 -6.414 -8.782 189 2HD LYS 26 1HD LYS 26 -5.682 -7.052 -7.982 190 1HE LYS 26 2HE LYS 26 -7.100 -8.873 -8.718 191 2HE LYS 26 1HE LYS 26 -7.060 -8.812 -6.955 192 1HZ LYS 26 1HZ LYS 26 -9.301 -9.175 -7.811 193 2HZ LYS 26 2HZ LYS 26 -9.232 -7.712 -8.656 194 3HZ LYS 26 3HZ LYS 26 -9.198 -7.712 -6.966 195 H ASP 27 H ASP 27 -5.752 -4.935 -2.071 196 HA ASP 27 HA ASP 27 -4.646 -5.682 -0.228 197 1HB ASP 27 2HB ASP 27 -5.957 -7.081 1.163 198 2HB ASP 27 1HB ASP 27 -7.075 -6.158 0.166 199 H GLY 28 H GLY 28 -3.423 -6.721 -2.583 200 1HA GLY 28 2HA GLY 28 -2.957 -9.424 -2.693 201 2HA GLY 28 1HA GLY 28 -1.715 -8.235 -3.029 202 H HIS 29 H HIS 29 -1.062 -7.135 -0.652 203 HA HIS 29 HA HIS 29 -0.565 -9.413 1.136 204 1HB HIS 29 2HB HIS 29 1.461 -8.908 -0.300 205 2HB HIS 29 1HB HIS 29 1.554 -7.320 0.476 206 HD1 HIS 29 1HD HIS 29 1.617 -10.999 1.457 207 HD2 HIS 29 2HD HIS 29 2.995 -7.305 2.767 208 HE1 HIS 29 1HE HIS 29 3.073 -11.493 3.447 209 HE2 HIS 29 2HE HIS 29 3.970 -9.250 4.164 210 H SER 30 H SER 30 -2.031 -8.714 2.673 211 HA SER 30 HA SER 30 -2.976 -7.352 4.287 212 1HB SER 30 2HB SER 30 -0.054 -6.805 4.819 213 2HB SER 30 1HB SER 30 -1.375 -6.779 5.998 214 HG SER 30 HG SER 30 -1.508 -8.953 5.927 215 HA PRO 31 HA PRO 31 -3.295 -3.184 2.241 216 1HB PRO 31 2HB PRO 31 -4.508 -2.437 4.785 217 2HB PRO 31 1HB PRO 31 -5.245 -2.494 3.185 218 1HG PRO 31 2HG PRO 31 -5.333 -4.477 5.337 219 2HG PRO 31 1HG PRO 31 -6.353 -4.343 3.898 220 1HD PRO 31 2HD PRO 31 -4.564 -6.340 4.224 221 2HD PRO 31 1HD PRO 31 -4.938 -5.663 2.621 222 H SER 32 H SER 32 -1.662 -1.649 2.348 223 HA SER 32 HA SER 32 -0.409 -1.125 4.897 224 1HB SER 32 2HB SER 32 1.095 -2.506 2.721 225 2HB SER 32 1HB SER 32 1.831 -1.792 4.159 226 HG SER 32 HG SER 32 1.315 -4.128 4.213 227 H TRP 33 H TRP 33 0.705 0.830 5.002 228 HA TRP 33 HA TRP 33 0.347 2.498 2.680 229 1HB TRP 33 2HB TRP 33 0.229 3.284 5.128 230 2HB TRP 33 1HB TRP 33 1.981 3.106 5.158 231 HD1 TRP 33 HD TRP 33 3.406 4.804 3.602 232 HE1 TRP 33 1HE TRP 33 2.824 7.158 2.753 233 HE3 TRP 33 3HE TRP 33 -1.652 4.749 4.361 234 HZ2 TRP 33 2HZ TRP 33 0.546 8.783 2.426 235 HZ3 TRP 33 3HZ TRP 33 -2.960 6.741 3.746 236 HH2 TRP 33 HH TRP 33 -1.881 8.716 2.794 237 H VAL 34 H VAL 34 1.406 1.546 1.163 238 HA VAL 34 HA VAL 34 4.287 1.736 1.146 239 HB VAL 34 HB VAL 34 3.439 -0.930 0.200 240 1HG1 VAL 34 1HG1 VAL 34 5.738 0.383 1.247 241 2HG1 VAL 34 2HG1 VAL 34 5.641 -1.253 0.632 242 3HG1 VAL 34 3HG1 VAL 34 5.380 -0.942 2.339 243 1HG2 VAL 34 1HG2 VAL 34 3.321 -1.924 2.461 244 2HG2 VAL 34 2HG2 VAL 34 1.943 -0.947 2.002 245 3HG2 VAL 34 3HG2 VAL 34 3.140 -0.305 3.119 246 HA PRO 35 HA PRO 35 3.681 2.664 -3.055 247 1HB PRO 35 2HB PRO 35 5.589 1.471 -4.463 248 2HB PRO 35 1HB PRO 35 5.947 2.670 -3.213 249 1HG PRO 35 2HG PRO 35 6.096 -0.299 -3.097 250 2HG PRO 35 1HG PRO 35 7.212 0.901 -2.423 251 1HD PRO 35 2HD PRO 35 5.249 -0.438 -1.032 252 2HD PRO 35 1HD PRO 35 5.981 1.080 -0.509 253 H SER 36 H SER 36 1.780 2.041 -3.816 254 HA SER 36 HA SER 36 0.204 1.010 -5.054 255 1HB SER 36 2HB SER 36 1.616 1.918 -6.820 256 2HB SER 36 1HB SER 36 2.645 0.486 -6.764 257 HG SER 36 HG SER 36 1.320 -0.302 -8.180 258 H SER 37 H SER 37 1.520 -0.620 -3.032 259 HA SER 37 HA SER 37 0.350 -3.077 -3.733 260 1HB SER 37 2HB SER 37 3.370 -3.175 -3.496 261 2HB SER 37 1HB SER 37 2.284 -4.516 -3.840 262 HG SER 37 HG SER 37 3.473 -3.342 -5.643 263 H TYR 38 H TYR 38 2.958 -3.846 -1.790 264 HA TYR 38 HA TYR 38 2.292 -2.770 0.712 265 1HB TYR 38 2HB TYR 38 1.549 -5.430 1.163 266 2HB TYR 38 1HB TYR 38 0.514 -4.021 1.307 267 HD1 TYR 38 1HD TYR 38 -1.451 -4.109 0.183 268 HD2 TYR 38 2HD TYR 38 1.875 -6.195 -1.423 269 HE1 TYR 38 1HE TYR 38 -2.896 -5.005 -1.600 270 HE2 TYR 38 2HE TYR 38 0.448 -7.091 -3.231 271 HH TYR 38 HH TYR 38 -1.793 -7.481 -3.779 272 H ILE 39 H ILE 39 4.366 -2.712 1.100 273 HA ILE 39 HA ILE 39 5.934 -5.173 1.017 274 HB ILE 39 HB ILE 39 7.517 -4.289 -0.316 275 1HG1 ILE 39 2HG1 ILE 39 7.283 -1.839 1.388 276 2HG1 ILE 39 1HG1 ILE 39 8.692 -2.808 1.010 277 1HG2 ILE 39 1HG2 ILE 39 5.263 -2.341 -0.821 278 2HG2 ILE 39 2HG2 ILE 39 5.617 -3.842 -1.657 279 3HG2 ILE 39 3HG2 ILE 39 6.689 -2.461 -1.853 280 1HD1 ILE 39 1HD1 ILE 39 8.590 -1.815 -1.312 281 2HD1 ILE 39 2HD1 ILE 39 9.046 -0.725 -0.003 282 3HD1 ILE 39 3HD1 ILE 39 7.412 -0.676 -0.663 283 H ALA 40 H ALA 40 4.459 -4.095 3.140 284 HA ALA 40 HA ALA 40 5.893 -2.443 4.882 285 1HB ALA 40 1HB ALA 40 3.962 -4.602 5.670 286 2HB ALA 40 2HB ALA 40 3.486 -3.035 5.016 287 3HB ALA 40 3HB ALA 40 4.346 -3.124 6.555 288 H ALA 41 H ALA 41 8.005 -2.994 5.039 289 HA ALA 41 HA ALA 41 8.906 -4.522 7.115 290 1HB ALA 41 1HB ALA 41 9.928 -6.490 5.892 291 2HB ALA 41 2HB ALA 41 8.845 -6.108 4.554 292 3HB ALA 41 3HB ALA 41 8.182 -6.553 6.126 293 H ASP 42 H ASP 42 9.847 -4.297 3.701 294 HA ASP 42 HA ASP 42 11.574 -2.224 3.678 295 1HB ASP 42 2HB ASP 42 12.926 -3.121 5.460 296 2HB ASP 42 1HB ASP 42 13.011 -4.697 4.682 297 H VAL 43 H VAL 43 10.511 -2.481 1.596 298 HA VAL 43 HA VAL 43 12.198 -3.981 -0.251 299 HB VAL 43 HB VAL 43 9.353 -4.362 -0.896 300 1HG1 VAL 43 1HG1 VAL 43 11.341 -5.272 -2.133 301 2HG1 VAL 43 2HG1 VAL 43 10.107 -6.458 -1.712 302 3HG1 VAL 43 3HG1 VAL 43 11.596 -6.363 -0.771 303 1HG2 VAL 43 1HG2 VAL 43 9.212 -4.758 1.514 304 2HG2 VAL 43 2HG2 VAL 43 10.551 -5.902 1.412 305 3HG2 VAL 43 3HG2 VAL 43 9.019 -6.263 0.614 306 H VAL 44 H VAL 44 10.368 -3.652 -2.502 307 HA VAL 44 HA VAL 44 9.756 -0.838 -2.592 308 HB VAL 44 HB VAL 44 12.091 -0.680 -3.042 309 1HG1 VAL 44 1HG1 VAL 44 11.687 -2.699 -5.247 310 2HG1 VAL 44 2HG1 VAL 44 12.478 -3.011 -3.703 311 3HG1 VAL 44 3HG1 VAL 44 13.196 -1.878 -4.849 312 1HG2 VAL 44 1HG2 VAL 44 10.703 0.800 -4.353 313 2HG2 VAL 44 2HG2 VAL 44 10.494 -0.438 -5.590 314 3HG2 VAL 44 3HG2 VAL 44 12.083 0.278 -5.320 315 H SER 45 H SER 45 7.793 -1.020 -3.301 316 HA SER 45 HA SER 45 6.131 -1.053 -4.858 317 1HB SER 45 2HB SER 45 6.534 -1.408 -7.116 318 2HB SER 45 1HB SER 45 8.123 -0.921 -6.531 319 HG SER 45 HG SER 45 8.771 -2.743 -7.334 320 H GLU 46 H GLU 46 7.346 -3.580 -3.274 321 HA GLU 46 HA GLU 46 5.000 -5.087 -3.326 322 1HB GLU 46 2HB GLU 46 6.117 -5.519 -5.684 323 2HB GLU 46 1HB GLU 46 7.101 -6.649 -4.769 324 1HG GLU 46 2HG GLU 46 4.103 -6.667 -5.007 325 2HG GLU 46 1HG GLU 46 5.230 -7.793 -5.760 326 H TYR 47 H TYR 47 4.978 -6.608 -1.699 327 HA TYR 47 HA TYR 47 7.142 -6.586 0.137 328 1HB TYR 47 2HB TYR 47 5.119 -6.903 1.223 329 2HB TYR 47 1HB TYR 47 4.498 -8.012 0.007 330 HD1 TYR 47 1HD TYR 47 7.098 -7.755 2.681 331 HD2 TYR 47 2HD TYR 47 4.477 -10.287 0.486 332 HE1 TYR 47 1HE TYR 47 7.691 -9.635 4.153 333 HE2 TYR 47 2HE TYR 47 5.065 -12.175 1.950 334 HH TYR 47 HH TYR 47 6.726 -11.783 4.877 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -2.696 -3.275 11.097 2 2H GLY 1 2HT GLY 1 -4.047 -4.280 10.943 3 3H GLY 1 3HT GLY 1 -4.248 -2.656 11.371 4 1HA GLY 1 1HA GLY 1 -3.426 -1.943 9.220 5 2HA GLY 1 2HA GLY 1 -3.191 -3.626 8.772 6 H SER 2 H SER 2 -5.590 -1.167 9.520 7 HA SER 2 HA SER 2 -7.770 -2.880 8.649 8 1HB SER 2 2HB SER 2 -9.206 -0.939 9.199 9 2HB SER 2 1HB SER 2 -8.162 -1.391 10.547 10 HG SER 2 HG SER 2 -7.339 0.528 10.465 11 H GLY 3 H GLY 3 -7.488 -3.234 6.478 12 1HA GLY 3 2HA GLY 3 -8.126 -0.970 4.756 13 2HA GLY 3 1HA GLY 3 -6.602 -1.777 4.444 14 H GLU 4 H GLU 4 -7.095 -2.605 2.448 15 HA GLU 4 HA GLU 4 -7.889 -4.100 0.937 16 1HB GLU 4 2HB GLU 4 -7.360 -5.838 2.442 17 2HB GLU 4 1HB GLU 4 -8.717 -5.470 3.494 18 1HG GLU 4 2HG GLU 4 -9.514 -6.195 0.787 19 2HG GLU 4 1HG GLU 4 -8.600 -7.457 1.608 20 H VAL 5 H VAL 5 -9.289 -1.846 1.187 21 HA VAL 5 HA VAL 5 -12.085 -2.732 0.930 22 HB VAL 5 HB VAL 5 -11.217 0.076 1.596 23 1HG1 VAL 5 1HG1 VAL 5 -13.866 -1.357 1.805 24 2HG1 VAL 5 2HG1 VAL 5 -13.433 -0.120 0.625 25 3HG1 VAL 5 3HG1 VAL 5 -13.557 0.296 2.335 26 1HG2 VAL 5 1HG2 VAL 5 -11.816 -0.415 3.924 27 2HG2 VAL 5 2HG2 VAL 5 -10.457 -1.399 3.380 28 3HG2 VAL 5 3HG2 VAL 5 -12.068 -2.109 3.499 29 H ASN 6 H ASN 6 -9.384 -1.311 -0.653 30 HA ASN 6 HA ASN 6 -9.112 -0.276 -2.680 31 1HB ASN 6 2HB ASN 6 -9.960 -2.505 -3.360 32 2HB ASN 6 1HB ASN 6 -11.600 -1.862 -3.357 33 1HD2 ASN 6 1HD2 ASN 6 -8.533 -1.892 -4.977 34 2HD2 ASN 6 2HD2 ASN 6 -9.062 -1.121 -6.430 35 H LYS 7 H LYS 7 -10.416 1.192 -0.754 36 HA LYS 7 HA LYS 7 -12.732 2.446 -1.933 37 1HB LYS 7 2HB LYS 7 -12.954 3.493 0.308 38 2HB LYS 7 1HB LYS 7 -12.932 1.740 0.365 39 1HG LYS 7 2HG LYS 7 -10.525 1.826 1.035 40 2HG LYS 7 1HG LYS 7 -10.656 3.586 1.083 41 1HD LYS 7 2HD LYS 7 -12.483 3.364 2.749 42 2HD LYS 7 1HD LYS 7 -12.203 1.622 2.765 43 1HE LYS 7 2HE LYS 7 -11.060 2.626 4.631 44 2HE LYS 7 1HE LYS 7 -9.871 2.047 3.467 45 1HZ LYS 7 1HZ LYS 7 -9.240 4.211 4.231 46 2HZ LYS 7 2HZ LYS 7 -10.755 4.854 3.844 47 3HZ LYS 7 3HZ LYS 7 -9.718 4.339 2.612 48 H ILE 8 H ILE 8 -11.587 4.796 -0.016 49 HA ILE 8 HA ILE 8 -10.127 6.065 -2.214 50 HB ILE 8 HB ILE 8 -12.429 6.829 -1.643 51 1HG1 ILE 8 2HG1 ILE 8 -10.824 8.251 -2.871 52 2HG1 ILE 8 1HG1 ILE 8 -11.897 9.212 -1.860 53 1HG2 ILE 8 1HG2 ILE 8 -12.888 8.046 0.326 54 2HG2 ILE 8 2HG2 ILE 8 -11.182 8.114 0.770 55 3HG2 ILE 8 3HG2 ILE 8 -12.050 6.579 0.844 56 1HD1 ILE 8 1HD1 ILE 8 -10.047 9.218 -0.140 57 2HD1 ILE 8 2HD1 ILE 8 -9.757 10.140 -1.615 58 3HD1 ILE 8 3HD1 ILE 8 -9.005 8.560 -1.403 59 H ILE 9 H ILE 9 -8.048 6.353 -1.780 60 HA ILE 9 HA ILE 9 -7.242 7.420 0.806 61 HB ILE 9 HB ILE 9 -7.128 4.987 1.042 62 1HG1 ILE 9 2HG1 ILE 9 -4.784 4.798 1.754 63 2HG1 ILE 9 1HG1 ILE 9 -4.416 6.304 0.932 64 1HG2 ILE 9 1HG2 ILE 9 -6.737 4.519 -1.363 65 2HG2 ILE 9 2HG2 ILE 9 -5.666 3.627 -0.282 66 3HG2 ILE 9 3HG2 ILE 9 -5.075 5.046 -1.142 67 1HD1 ILE 9 1HD1 ILE 9 -4.751 6.482 3.392 68 2HD1 ILE 9 2HD1 ILE 9 -6.436 6.039 3.136 69 3HD1 ILE 9 3HD1 ILE 9 -5.800 7.528 2.437 70 H GLY 10 H GLY 10 -4.960 8.125 0.785 71 1HA GLY 10 2HA GLY 10 -4.200 9.014 -1.933 72 2HA GLY 10 1HA GLY 10 -3.858 9.916 -0.458 73 H SER 11 H SER 11 -2.256 8.336 -2.724 74 HA SER 11 HA SER 11 -0.657 6.794 -0.858 75 1HB SER 11 2HB SER 11 0.461 6.209 -3.255 76 2HB SER 11 1HB SER 11 -0.867 5.275 -2.519 77 HG SER 11 HG SER 11 -0.874 6.467 -4.827 78 H ARG 12 H ARG 12 0.785 7.780 0.047 79 HA ARG 12 HA ARG 12 3.010 8.962 -1.362 80 1HB ARG 12 2HB ARG 12 1.286 10.662 0.441 81 2HB ARG 12 1HB ARG 12 2.943 11.081 0.031 82 1HG ARG 12 2HG ARG 12 2.002 12.231 -1.636 83 2HG ARG 12 1HG ARG 12 1.891 10.662 -2.432 84 1HD ARG 12 2HD ARG 12 -0.253 11.672 -2.592 85 2HD ARG 12 1HD ARG 12 -0.373 10.403 -1.374 86 HE ARG 12 HE ARG 12 0.199 12.631 0.069 87 1HH1 ARG 12 1HH1 ARG 12 -2.242 11.828 -2.280 88 2HH1 ARG 12 2HH1 ARG 12 -3.428 12.894 -1.604 89 1HH2 ARG 12 1HH2 ARG 12 -1.349 14.042 0.964 90 2HH2 ARG 12 2HH2 ARG 12 -2.919 14.156 0.241 91 H THR 13 H THR 13 4.564 7.646 -0.366 92 HA THR 13 HA THR 13 4.484 7.598 2.571 93 HB THR 13 HB THR 13 6.187 5.621 1.135 94 HG1 THR 13 1HG THR 13 4.437 4.183 1.085 95 1HG2 THR 13 1HG2 THR 13 6.401 5.842 3.542 96 2HG2 THR 13 2HG2 THR 13 5.702 4.279 3.118 97 3HG2 THR 13 3HG2 THR 13 4.669 5.570 3.730 98 H ALA 14 H ALA 14 7.235 6.934 0.435 99 HA ALA 14 HA ALA 14 8.617 9.271 1.458 100 1HB ALA 14 1HB ALA 14 9.035 7.631 3.194 101 2HB ALA 14 2HB ALA 14 10.519 7.962 2.300 102 3HB ALA 14 3HB ALA 14 9.615 6.478 1.992 103 H GLY 15 H GLY 15 9.156 6.185 -0.271 104 1HA GLY 15 2HA GLY 15 9.531 6.363 -2.706 105 2HA GLY 15 1HA GLY 15 10.516 7.778 -2.368 106 H GLU 16 H GLU 16 11.747 6.444 -0.004 107 HA GLU 16 HA GLU 16 14.025 5.401 -1.258 108 1HB GLU 16 2HB GLU 16 13.000 5.177 1.570 109 2HB GLU 16 1HB GLU 16 14.535 4.480 1.072 110 1HG GLU 16 2HG GLU 16 14.880 6.632 2.109 111 2HG GLU 16 1HG GLU 16 15.322 6.696 0.403 112 H GLY 17 H GLY 17 11.112 3.922 -0.066 113 1HA GLY 17 2HA GLY 17 11.744 1.481 -1.521 114 2HA GLY 17 1HA GLY 17 11.467 1.311 0.210 115 H ALA 18 H ALA 18 9.482 3.081 0.668 116 HA ALA 18 HA ALA 18 7.243 2.081 -0.949 117 1HB ALA 18 1HB ALA 18 7.289 1.314 1.403 118 2HB ALA 18 2HB ALA 18 5.870 2.279 0.999 119 3HB ALA 18 3HB ALA 18 7.197 3.004 1.911 120 H MET 19 H MET 19 5.526 3.569 -1.390 121 HA MET 19 HA MET 19 5.772 6.297 -0.613 122 1HB MET 19 2HB MET 19 7.406 5.582 -2.698 123 2HB MET 19 1HB MET 19 5.993 6.225 -3.524 124 1HG MET 19 2HG MET 19 7.421 7.681 -1.333 125 2HG MET 19 1HG MET 19 7.828 7.863 -3.035 126 1HE MET 19 1HE MET 19 7.478 10.485 -2.627 127 2HE MET 19 2HE MET 19 6.903 10.261 -0.975 128 3HE MET 19 3HE MET 19 5.952 11.208 -2.119 129 H GLU 20 H GLU 20 3.534 4.610 -0.412 130 HA GLU 20 HA GLU 20 1.778 6.173 -2.007 131 1HB GLU 20 2HB GLU 20 2.002 3.253 -2.449 132 2HB GLU 20 1HB GLU 20 0.559 4.103 -2.891 133 1HG GLU 20 2HG GLU 20 2.201 5.660 -4.154 134 2HG GLU 20 1HG GLU 20 3.298 4.283 -4.026 135 H TYR 21 H TYR 21 -0.344 3.832 -1.355 136 HA TYR 21 HA TYR 21 -1.140 4.988 1.270 137 1HB TYR 21 2HB TYR 21 -3.485 4.367 0.230 138 2HB TYR 21 1HB TYR 21 -2.762 5.902 -0.193 139 HD1 TYR 21 1HD TYR 21 -3.479 6.339 -2.383 140 HD2 TYR 21 2HD TYR 21 -2.154 2.434 -1.288 141 HE1 TYR 21 1HE TYR 21 -3.743 5.579 -4.700 142 HE2 TYR 21 2HE TYR 21 -2.432 1.685 -3.570 143 HH TYR 21 HH TYR 21 -3.734 2.341 -5.614 144 H LEU 22 H LEU 22 -3.233 3.797 2.054 145 HA LEU 22 HA LEU 22 -2.887 1.036 1.401 146 1HB LEU 22 2HB LEU 22 -2.669 0.277 3.577 147 2HB LEU 22 1HB LEU 22 -1.808 1.799 3.611 148 HG LEU 22 HG LEU 22 -4.154 2.722 4.419 149 1HD1 LEU 22 1HD1 LEU 22 -5.132 0.392 4.171 150 2HD1 LEU 22 2HD1 LEU 22 -5.413 1.209 5.706 151 3HD1 LEU 22 3HD1 LEU 22 -4.178 -0.045 5.586 152 1HD2 LEU 22 1HD2 LEU 22 -2.193 1.251 6.173 153 2HD2 LEU 22 2HD2 LEU 22 -3.356 2.461 6.717 154 3HD2 LEU 22 3HD2 LEU 22 -2.049 2.921 5.625 155 H ILE 23 H ILE 23 -4.665 0.516 0.378 156 HA ILE 23 HA ILE 23 -6.833 -0.614 1.002 157 HB ILE 23 HB ILE 23 -8.768 0.883 1.175 158 1HG1 ILE 23 2HG1 ILE 23 -8.202 3.230 2.119 159 2HG1 ILE 23 1HG1 ILE 23 -6.661 2.991 1.299 160 1HG2 ILE 23 1HG2 ILE 23 -7.951 1.760 3.614 161 2HG2 ILE 23 2HG2 ILE 23 -6.852 0.415 3.297 162 3HG2 ILE 23 3HG2 ILE 23 -8.594 0.160 3.246 163 1HD1 ILE 23 1HD1 ILE 23 -8.537 4.188 0.040 164 2HD1 ILE 23 2HD1 ILE 23 -9.226 2.584 -0.155 165 3HD1 ILE 23 3HD1 ILE 23 -7.632 2.931 -0.791 166 H GLU 24 H GLU 24 -5.215 0.374 -1.374 167 HA GLU 24 HA GLU 24 -7.518 0.633 -3.183 168 1HB GLU 24 2HB GLU 24 -6.346 2.814 -2.899 169 2HB GLU 24 1HB GLU 24 -4.899 2.071 -3.559 170 1HG GLU 24 2HG GLU 24 -6.065 3.364 -5.244 171 2HG GLU 24 1HG GLU 24 -6.047 1.651 -5.661 172 H TRP 25 H TRP 25 -6.655 -1.813 -2.763 173 HA TRP 25 HA TRP 25 -5.535 -2.585 -5.319 174 1HB TRP 25 2HB TRP 25 -4.015 -4.241 -3.762 175 2HB TRP 25 1HB TRP 25 -3.418 -2.752 -4.485 176 HD1 TRP 25 HD TRP 25 -5.440 -3.499 -1.247 177 HE1 TRP 25 1HE TRP 25 -4.353 -2.191 0.670 178 HE3 TRP 25 3HE TRP 25 -1.498 -1.317 -3.781 179 HZ2 TRP 25 2HZ TRP 25 -2.183 -0.525 1.045 180 HZ3 TRP 25 3HZ TRP 25 0.045 0.139 -2.436 181 HH2 TRP 25 HH TRP 25 -0.357 0.581 -0.155 182 H LYS 26 H LYS 26 -5.152 -5.269 -4.874 183 HA LYS 26 HA LYS 26 -7.865 -6.114 -4.180 184 1HB LYS 26 2HB LYS 26 -7.319 -8.193 -5.392 185 2HB LYS 26 1HB LYS 26 -7.108 -6.770 -6.402 186 1HG LYS 26 2HG LYS 26 -4.701 -7.658 -4.968 187 2HG LYS 26 1HG LYS 26 -5.313 -8.770 -6.193 188 1HD LYS 26 2HD LYS 26 -4.788 -5.842 -6.686 189 2HD LYS 26 1HD LYS 26 -3.627 -7.125 -7.033 190 1HE LYS 26 2HE LYS 26 -5.215 -8.154 -8.573 191 2HE LYS 26 1HE LYS 26 -6.397 -6.898 -8.207 192 1HZ LYS 26 1HZ LYS 26 -3.738 -6.435 -9.446 193 2HZ LYS 26 2HZ LYS 26 -4.911 -5.254 -9.138 194 3HZ LYS 26 3HZ LYS 26 -5.211 -6.467 -10.279 195 H ASP 27 H ASP 27 -6.071 -5.437 -2.109 196 HA ASP 27 HA ASP 27 -5.186 -6.225 -0.155 197 1HB ASP 27 2HB ASP 27 -7.477 -7.030 0.110 198 2HB ASP 27 1HB ASP 27 -7.074 -8.509 -0.750 199 H GLY 28 H GLY 28 -3.525 -6.699 -2.305 200 1HA GLY 28 2HA GLY 28 -2.701 -9.309 -2.746 201 2HA GLY 28 1HA GLY 28 -1.637 -7.917 -2.828 202 H HIS 29 H HIS 29 -1.107 -7.051 -0.439 203 HA HIS 29 HA HIS 29 -0.599 -9.381 1.265 204 1HB HIS 29 2HB HIS 29 1.435 -8.860 -0.156 205 2HB HIS 29 1HB HIS 29 1.541 -7.307 0.678 206 HD1 HIS 29 1HD HIS 29 2.448 -7.317 3.067 207 HD2 HIS 29 2HD HIS 29 2.101 -11.113 1.414 208 HE1 HIS 29 1HE HIS 29 3.680 -8.849 4.636 209 HE2 HIS 29 2HE HIS 29 3.370 -11.153 3.667 210 H SER 30 H SER 30 -2.061 -8.704 2.818 211 HA SER 30 HA SER 30 -3.014 -7.337 4.431 212 1HB SER 30 2HB SER 30 -0.086 -6.816 4.972 213 2HB SER 30 1HB SER 30 -1.410 -6.727 6.142 214 HG SER 30 HG SER 30 -1.002 -8.752 6.491 215 HA PRO 31 HA PRO 31 -3.414 -3.335 2.105 216 1HB PRO 31 2HB PRO 31 -4.771 -3.085 4.782 217 2HB PRO 31 1HB PRO 31 -5.267 -2.425 3.215 218 1HG PRO 31 2HG PRO 31 -6.307 -4.721 4.187 219 2HG PRO 31 1HG PRO 31 -6.057 -4.442 2.457 220 1HD PRO 31 2HD PRO 31 -4.701 -6.330 4.211 221 2HD PRO 31 1HD PRO 31 -4.639 -6.200 2.439 222 H SER 32 H SER 32 -1.915 -1.679 2.216 223 HA SER 32 HA SER 32 -0.703 -1.105 4.759 224 1HB SER 32 2HB SER 32 0.344 -3.192 3.871 225 2HB SER 32 1HB SER 32 0.970 -2.210 2.546 226 HG SER 32 HG SER 32 2.501 -2.370 4.222 227 H TRP 33 H TRP 33 0.255 0.956 4.816 228 HA TRP 33 HA TRP 33 0.039 2.477 2.397 229 1HB TRP 33 2HB TRP 33 -0.427 3.448 4.680 230 2HB TRP 33 1HB TRP 33 1.271 3.215 5.077 231 HD1 TRP 33 HD TRP 33 3.015 4.627 3.294 232 HE1 TRP 33 1HE TRP 33 2.707 7.049 2.505 233 HE3 TRP 33 3HE TRP 33 -1.996 5.193 4.194 234 HZ2 TRP 33 2HZ TRP 33 0.640 8.959 2.271 235 HZ3 TRP 33 3HZ TRP 33 -3.053 7.349 3.658 236 HH2 TRP 33 HH TRP 33 -1.762 9.190 2.713 237 H VAL 34 H VAL 34 1.309 1.678 1.012 238 HA VAL 34 HA VAL 34 4.147 1.903 1.346 239 HB VAL 34 HB VAL 34 3.378 -0.769 0.277 240 1HG1 VAL 34 1HG1 VAL 34 5.568 0.500 1.779 241 2HG1 VAL 34 2HG1 VAL 34 5.640 -0.875 0.691 242 3HG1 VAL 34 3HG1 VAL 34 5.177 -1.104 2.364 243 1HG2 VAL 34 1HG2 VAL 34 1.780 -0.632 2.023 244 2HG2 VAL 34 2HG2 VAL 34 3.014 -0.164 3.186 245 3HG2 VAL 34 3HG2 VAL 34 3.047 -1.771 2.460 246 HA PRO 35 HA PRO 35 3.728 2.719 -2.988 247 1HB PRO 35 2HB PRO 35 5.626 1.514 -4.325 248 2HB PRO 35 1HB PRO 35 6.026 2.602 -2.999 249 1HG PRO 35 2HG PRO 35 5.984 -0.380 -3.067 250 2HG PRO 35 1HG PRO 35 7.144 0.703 -2.282 251 1HD PRO 35 2HD PRO 35 4.986 -0.563 -1.057 252 2HD PRO 35 1HD PRO 35 5.886 0.808 -0.399 253 H SER 36 H SER 36 1.750 2.025 -3.747 254 HA SER 36 HA SER 36 0.217 0.884 -4.959 255 1HB SER 36 2HB SER 36 1.654 1.762 -6.735 256 2HB SER 36 1HB SER 36 2.681 0.331 -6.624 257 HG SER 36 HG SER 36 1.342 -0.610 -7.922 258 H SER 37 H SER 37 1.697 -0.668 -2.862 259 HA SER 37 HA SER 37 0.560 -3.174 -3.508 260 1HB SER 37 2HB SER 37 3.569 -3.193 -3.224 261 2HB SER 37 1HB SER 37 2.516 -4.537 -3.650 262 HG SER 37 HG SER 37 2.680 -3.943 -5.644 263 H TYR 38 H TYR 38 3.141 -3.909 -1.541 264 HA TYR 38 HA TYR 38 2.449 -2.779 0.935 265 1HB TYR 38 2HB TYR 38 1.669 -5.480 1.376 266 2HB TYR 38 1HB TYR 38 0.729 -4.030 1.663 267 HD1 TYR 38 1HD TYR 38 -1.360 -4.032 0.691 268 HD2 TYR 38 2HD TYR 38 1.835 -5.981 -1.313 269 HE1 TYR 38 1HE TYR 38 -2.871 -4.571 -1.179 270 HE2 TYR 38 2HE TYR 38 0.333 -6.542 -3.187 271 HH TYR 38 HH TYR 38 -2.308 -5.106 -3.899 272 H ILE 39 H ILE 39 4.481 -2.727 1.437 273 HA ILE 39 HA ILE 39 6.071 -5.172 1.214 274 HB ILE 39 HB ILE 39 7.716 -4.137 0.045 275 1HG1 ILE 39 2HG1 ILE 39 7.119 -1.723 1.723 276 2HG1 ILE 39 1HG1 ILE 39 8.639 -2.563 1.490 277 1HG2 ILE 39 1HG2 ILE 39 6.787 -2.456 -1.547 278 2HG2 ILE 39 2HG2 ILE 39 5.362 -2.321 -0.512 279 3HG2 ILE 39 3HG2 ILE 39 5.724 -3.843 -1.303 280 1HD1 ILE 39 1HD1 ILE 39 8.889 -0.472 0.461 281 2HD1 ILE 39 2HD1 ILE 39 7.318 -0.582 -0.332 282 3HD1 ILE 39 3HD1 ILE 39 8.644 -1.618 -0.857 283 H ALA 40 H ALA 40 4.602 -4.320 3.418 284 HA ALA 40 HA ALA 40 6.037 -2.822 5.300 285 1HB ALA 40 1HB ALA 40 4.506 -3.710 6.909 286 2HB ALA 40 2HB ALA 40 4.106 -5.057 5.843 287 3HB ALA 40 3HB ALA 40 3.643 -3.415 5.397 288 H ALA 41 H ALA 41 8.165 -3.396 5.355 289 HA ALA 41 HA ALA 41 9.114 -5.083 7.270 290 1HB ALA 41 1HB ALA 41 8.327 -7.035 6.166 291 2HB ALA 41 2HB ALA 41 10.067 -6.977 5.893 292 3HB ALA 41 3HB ALA 41 8.956 -6.493 4.611 293 H ASP 42 H ASP 42 9.935 -4.604 3.843 294 HA ASP 42 HA ASP 42 11.684 -2.568 3.895 295 1HB ASP 42 2HB ASP 42 13.953 -3.730 4.046 296 2HB ASP 42 1HB ASP 42 13.106 -3.477 5.567 297 H VAL 43 H VAL 43 10.568 -2.747 1.813 298 HA VAL 43 HA VAL 43 12.289 -4.045 -0.144 299 HB VAL 43 HB VAL 43 9.432 -4.583 -0.685 300 1HG1 VAL 43 1HG1 VAL 43 10.564 -5.600 -2.322 301 2HG1 VAL 43 2HG1 VAL 43 10.850 -6.873 -1.137 302 3HG1 VAL 43 3HG1 VAL 43 12.065 -5.621 -1.395 303 1HG2 VAL 43 1HG2 VAL 43 10.935 -6.222 1.357 304 2HG2 VAL 43 2HG2 VAL 43 9.377 -6.640 0.644 305 3HG2 VAL 43 3HG2 VAL 43 9.522 -5.216 1.675 306 H VAL 44 H VAL 44 10.673 -3.675 -2.414 307 HA VAL 44 HA VAL 44 9.765 -0.919 -2.294 308 HB VAL 44 HB VAL 44 11.210 -0.034 -3.918 309 1HG1 VAL 44 1HG1 VAL 44 12.143 -0.393 -1.600 310 2HG1 VAL 44 2HG1 VAL 44 13.329 -0.131 -2.875 311 3HG1 VAL 44 3HG1 VAL 44 13.037 -1.758 -2.263 312 1HG2 VAL 44 1HG2 VAL 44 12.242 -2.837 -4.375 313 2HG2 VAL 44 2HG2 VAL 44 12.948 -1.380 -5.075 314 3HG2 VAL 44 3HG2 VAL 44 11.305 -1.856 -5.502 315 H SER 45 H SER 45 7.956 -0.742 -3.327 316 HA SER 45 HA SER 45 6.323 -0.878 -4.879 317 1HB SER 45 2HB SER 45 8.150 -0.545 -6.509 318 2HB SER 45 1HB SER 45 8.359 -2.293 -6.601 319 HG SER 45 HG SER 45 6.569 -2.468 -7.741 320 H GLU 46 H GLU 46 7.383 -3.390 -3.198 321 HA GLU 46 HA GLU 46 5.070 -4.918 -3.477 322 1HB GLU 46 2HB GLU 46 5.981 -5.453 -5.713 323 2HB GLU 46 1HB GLU 46 7.425 -6.108 -4.960 324 1HG GLU 46 2HG GLU 46 6.096 -7.834 -3.878 325 2HG GLU 46 1HG GLU 46 4.631 -7.165 -4.596 326 H TYR 47 H TYR 47 5.085 -6.906 -2.265 327 HA TYR 47 HA TYR 47 6.526 -6.723 0.130 328 1HB TYR 47 2HB TYR 47 5.581 -8.965 0.633 329 2HB TYR 47 1HB TYR 47 4.371 -7.824 0.058 330 HD1 TYR 47 1HD TYR 47 6.031 -10.982 -0.546 331 HD2 TYR 47 2HD TYR 47 3.512 -8.026 -2.286 332 HE1 TYR 47 1HE TYR 47 5.356 -12.586 -2.282 333 HE2 TYR 47 2HE TYR 47 2.828 -9.624 -4.024 334 HH TYR 47 HH TYR 47 3.474 -12.946 -3.824 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -15.931 -4.588 7.614 2 2H GLY 1 2HT GLY 1 -14.835 -4.806 6.343 3 3H GLY 1 3HT GLY 1 -16.037 -3.622 6.228 4 1HA GLY 1 1HA GLY 1 -15.049 -2.385 8.050 5 2HA GLY 1 2HA GLY 1 -13.805 -3.619 8.186 6 H SER 2 H SER 2 -12.383 -1.724 7.905 7 HA SER 2 HA SER 2 -12.237 -0.697 5.176 8 1HB SER 2 2HB SER 2 -10.530 0.846 6.079 9 2HB SER 2 1HB SER 2 -12.035 0.930 6.994 10 HG SER 2 HG SER 2 -10.441 0.789 8.493 11 H GLY 3 H GLY 3 -9.868 -0.404 4.373 12 1HA GLY 3 2HA GLY 3 -7.802 -1.325 3.855 13 2HA GLY 3 1HA GLY 3 -8.060 -2.538 5.095 14 H GLU 4 H GLU 4 -7.101 -2.713 2.254 15 HA GLU 4 HA GLU 4 -7.423 -3.978 0.382 16 1HB GLU 4 2HB GLU 4 -7.284 -6.140 1.012 17 2HB GLU 4 1HB GLU 4 -7.452 -5.536 2.645 18 1HG GLU 4 2HG GLU 4 -9.947 -5.863 2.378 19 2HG GLU 4 1HG GLU 4 -9.569 -6.747 0.898 20 H VAL 5 H VAL 5 -9.529 -2.064 1.081 21 HA VAL 5 HA VAL 5 -11.936 -3.285 -0.067 22 HB VAL 5 HB VAL 5 -11.709 -0.534 1.094 23 1HG1 VAL 5 1HG1 VAL 5 -14.128 -0.869 1.530 24 2HG1 VAL 5 2HG1 VAL 5 -14.028 -2.445 0.744 25 3HG1 VAL 5 3HG1 VAL 5 -13.722 -0.977 -0.183 26 1HG2 VAL 5 1HG2 VAL 5 -12.699 -1.653 3.196 27 2HG2 VAL 5 2HG2 VAL 5 -10.966 -1.791 2.909 28 3HG2 VAL 5 3HG2 VAL 5 -12.030 -3.147 2.538 29 H ASN 6 H ASN 6 -9.310 -1.424 -1.020 30 HA ASN 6 HA ASN 6 -8.928 0.193 -2.607 31 1HB ASN 6 2HB ASN 6 -9.996 -0.532 -4.838 32 2HB ASN 6 1HB ASN 6 -8.904 -1.638 -4.020 33 1HD2 ASN 6 1HD2 ASN 6 -9.569 -3.524 -3.307 34 2HD2 ASN 6 2HD2 ASN 6 -11.164 -4.154 -3.553 35 H LYS 7 H LYS 7 -10.136 1.845 -1.353 36 HA LYS 7 HA LYS 7 -12.235 2.998 -2.991 37 1HB LYS 7 2HB LYS 7 -13.623 3.323 -0.813 38 2HB LYS 7 1HB LYS 7 -13.693 1.783 -1.660 39 1HG LYS 7 2HG LYS 7 -12.711 0.669 0.005 40 2HG LYS 7 1HG LYS 7 -11.558 1.964 0.354 41 1HD LYS 7 2HD LYS 7 -13.391 3.196 1.496 42 2HD LYS 7 1HD LYS 7 -14.462 1.826 1.205 43 1HE LYS 7 2HE LYS 7 -13.535 1.789 3.472 44 2HE LYS 7 1HE LYS 7 -13.022 0.390 2.530 45 1HZ LYS 7 1HZ LYS 7 -10.904 1.471 2.130 46 2HZ LYS 7 2HZ LYS 7 -11.193 1.343 3.793 47 3HZ LYS 7 3HZ LYS 7 -11.398 2.829 3.011 48 H ILE 8 H ILE 8 -12.242 4.136 0.267 49 HA ILE 8 HA ILE 8 -11.053 6.635 -0.553 50 HB ILE 8 HB ILE 8 -13.079 6.553 0.874 51 1HG1 ILE 8 2HG1 ILE 8 -11.455 8.489 0.866 52 2HG1 ILE 8 1HG1 ILE 8 -12.475 8.368 2.295 53 1HG2 ILE 8 1HG2 ILE 8 -12.173 4.541 2.190 54 2HG2 ILE 8 2HG2 ILE 8 -13.114 5.757 3.053 55 3HG2 ILE 8 3HG2 ILE 8 -11.357 5.748 3.182 56 1HD1 ILE 8 1HD1 ILE 8 -10.479 7.113 3.333 57 2HD1 ILE 8 2HD1 ILE 8 -10.392 8.865 3.159 58 3HD1 ILE 8 3HD1 ILE 8 -9.551 7.825 2.011 59 H ILE 9 H ILE 9 -8.882 6.523 -0.719 60 HA ILE 9 HA ILE 9 -7.418 5.976 1.688 61 HB ILE 9 HB ILE 9 -7.897 3.818 0.544 62 1HG1 ILE 9 2HG1 ILE 9 -5.855 2.821 1.186 63 2HG1 ILE 9 1HG1 ILE 9 -4.949 4.290 0.883 64 1HG2 ILE 9 1HG2 ILE 9 -6.033 4.951 -1.467 65 2HG2 ILE 9 2HG2 ILE 9 -7.636 4.254 -1.698 66 3HG2 ILE 9 3HG2 ILE 9 -6.284 3.215 -1.269 67 1HD1 ILE 9 1HD1 ILE 9 -5.625 5.257 2.850 68 2HD1 ILE 9 2HD1 ILE 9 -5.546 3.554 3.307 69 3HD1 ILE 9 3HD1 ILE 9 -7.101 4.297 2.935 70 H GLY 10 H GLY 10 -4.913 6.084 1.137 71 1HA GLY 10 2HA GLY 10 -4.488 8.333 -0.683 72 2HA GLY 10 1HA GLY 10 -4.032 8.509 1.006 73 H SER 11 H SER 11 -2.053 8.863 -0.770 74 HA SER 11 HA SER 11 -0.405 6.543 -0.300 75 1HB SER 11 2HB SER 11 0.298 6.727 -2.830 76 2HB SER 11 1HB SER 11 -1.129 5.791 -2.383 77 HG SER 11 HG SER 11 -1.104 7.649 -4.112 78 H ARG 12 H ARG 12 1.146 7.589 0.831 79 HA ARG 12 HA ARG 12 2.960 9.271 -0.668 80 1HB ARG 12 2HB ARG 12 1.443 10.977 0.130 81 2HB ARG 12 1HB ARG 12 1.528 10.345 1.768 82 1HG ARG 12 2HG ARG 12 2.864 12.389 1.445 83 2HG ARG 12 1HG ARG 12 3.833 11.005 1.958 84 1HD ARG 12 2HD ARG 12 4.652 10.667 -0.260 85 2HD ARG 12 1HD ARG 12 3.530 11.857 -0.916 86 HE ARG 12 HE ARG 12 6.031 12.373 0.443 87 1HH1 ARG 12 1HH1 ARG 12 2.983 13.685 -0.630 88 2HH1 ARG 12 2HH1 ARG 12 3.551 15.321 -0.653 89 1HH2 ARG 12 1HH2 ARG 12 6.782 14.525 0.418 90 2HH2 ARG 12 2HH2 ARG 12 5.707 15.798 -0.059 91 H THR 13 H THR 13 4.735 7.887 -0.261 92 HA THR 13 HA THR 13 5.251 7.428 2.586 93 HB THR 13 HB THR 13 6.518 5.614 0.636 94 HG1 THR 13 1HG THR 13 4.657 4.298 0.683 95 1HG2 THR 13 1HG2 THR 13 5.452 5.345 3.431 96 2HG2 THR 13 2HG2 THR 13 7.143 5.399 2.938 97 3HG2 THR 13 3HG2 THR 13 6.141 4.016 2.499 98 H ALA 14 H ALA 14 7.510 6.936 -0.115 99 HA ALA 14 HA ALA 14 9.144 9.124 0.890 100 1HB ALA 14 1HB ALA 14 9.779 7.337 2.387 101 2HB ALA 14 2HB ALA 14 11.112 7.709 1.294 102 3HB ALA 14 3HB ALA 14 10.118 6.277 1.020 103 H GLY 15 H GLY 15 9.380 6.201 -1.164 104 1HA GLY 15 2HA GLY 15 9.370 6.636 -3.609 105 2HA GLY 15 1HA GLY 15 10.449 7.983 -3.279 106 H GLU 16 H GLU 16 11.960 6.426 -1.277 107 HA GLU 16 HA GLU 16 13.986 5.432 -2.930 108 1HB GLU 16 2HB GLU 16 14.088 6.131 -0.458 109 2HB GLU 16 1HB GLU 16 13.516 4.509 -0.098 110 1HG GLU 16 2HG GLU 16 15.903 4.579 0.118 111 2HG GLU 16 1HG GLU 16 15.471 3.583 -1.271 112 H GLY 17 H GLY 17 11.215 3.961 -1.439 113 1HA GLY 17 2HA GLY 17 11.473 1.642 -3.179 114 2HA GLY 17 1HA GLY 17 11.471 1.325 -1.449 115 H ALA 18 H ALA 18 9.652 3.159 -0.533 116 HA ALA 18 HA ALA 18 7.172 2.356 -1.863 117 1HB ALA 18 1HB ALA 18 6.079 2.435 0.314 118 2HB ALA 18 2HB ALA 18 7.607 2.914 1.059 119 3HB ALA 18 3HB ALA 18 7.440 1.308 0.339 120 H MET 19 H MET 19 5.454 3.905 -1.948 121 HA MET 19 HA MET 19 5.896 6.569 -0.970 122 1HB MET 19 2HB MET 19 7.066 5.996 -3.410 123 2HB MET 19 1HB MET 19 5.542 6.747 -3.863 124 1HG MET 19 2HG MET 19 6.113 8.623 -2.320 125 2HG MET 19 1HG MET 19 7.696 7.883 -2.134 126 1HE MET 19 1HE MET 19 6.054 9.656 -6.058 127 2HE MET 19 2HE MET 19 5.250 9.785 -4.493 128 3HE MET 19 3HE MET 19 5.365 8.221 -5.299 129 H GLU 20 H GLU 20 3.811 4.414 -1.043 130 HA GLU 20 HA GLU 20 1.601 6.196 -1.578 131 1HB GLU 20 2HB GLU 20 1.448 3.485 -2.809 132 2HB GLU 20 1HB GLU 20 0.534 4.901 -3.211 133 1HG GLU 20 2HG GLU 20 2.675 5.880 -4.108 134 2HG GLU 20 1HG GLU 20 3.390 4.272 -3.900 135 H TYR 21 H TYR 21 -0.565 4.739 -1.039 136 HA TYR 21 HA TYR 21 -0.055 2.843 1.032 137 1HB TYR 21 2HB TYR 21 0.203 4.447 2.541 138 2HB TYR 21 1HB TYR 21 -0.590 5.647 1.572 139 HD1 TYR 21 1HD TYR 21 -2.389 6.705 2.737 140 HD2 TYR 21 2HD TYR 21 -1.581 2.557 3.336 141 HE1 TYR 21 1HE TYR 21 -4.353 6.520 4.207 142 HE2 TYR 21 2HE TYR 21 -3.500 2.384 4.823 143 HH TYR 21 HH TYR 21 -5.891 4.779 5.044 144 H LEU 22 H LEU 22 -1.823 3.399 -1.473 145 HA LEU 22 HA LEU 22 -4.338 2.934 -0.293 146 1HB LEU 22 2HB LEU 22 -5.095 2.841 -2.735 147 2HB LEU 22 1HB LEU 22 -4.448 4.354 -2.138 148 HG LEU 22 HG LEU 22 -2.344 3.973 -3.251 149 1HD1 LEU 22 1HD1 LEU 22 -3.521 1.292 -3.898 150 2HD1 LEU 22 2HD1 LEU 22 -1.978 1.664 -3.127 151 3HD1 LEU 22 3HD1 LEU 22 -2.210 1.994 -4.844 152 1HD2 LEU 22 1HD2 LEU 22 -3.099 4.057 -5.567 153 2HD2 LEU 22 2HD2 LEU 22 -4.143 5.021 -4.522 154 3HD2 LEU 22 3HD2 LEU 22 -4.677 3.436 -5.082 155 H ILE 23 H ILE 23 -5.565 1.457 -0.094 156 HA ILE 23 HA ILE 23 -4.705 -1.210 -0.296 157 HB ILE 23 HB ILE 23 -6.830 -1.793 0.637 158 1HG1 ILE 23 2HG1 ILE 23 -8.050 -0.028 -0.848 159 2HG1 ILE 23 1HG1 ILE 23 -8.716 -0.435 0.719 160 1HG2 ILE 23 1HG2 ILE 23 -6.842 -0.231 2.626 161 2HG2 ILE 23 2HG2 ILE 23 -5.591 0.687 1.796 162 3HG2 ILE 23 3HG2 ILE 23 -5.298 -0.991 2.246 163 1HD1 ILE 23 1HD1 ILE 23 -7.372 2.050 -0.178 164 2HD1 ILE 23 2HD1 ILE 23 -7.402 1.634 1.533 165 3HD1 ILE 23 3HD1 ILE 23 -8.910 1.839 0.647 166 H GLU 24 H GLU 24 -5.280 0.573 -2.790 167 HA GLU 24 HA GLU 24 -7.264 -0.850 -4.199 168 1HB GLU 24 2HB GLU 24 -7.039 1.446 -4.652 169 2HB GLU 24 1HB GLU 24 -5.300 1.322 -4.863 170 1HG GLU 24 2HG GLU 24 -5.550 0.248 -6.971 171 2HG GLU 24 1HG GLU 24 -7.279 0.013 -6.718 172 H TRP 25 H TRP 25 -4.638 -2.148 -3.158 173 HA TRP 25 HA TRP 25 -3.556 -3.202 -5.627 174 1HB TRP 25 2HB TRP 25 -2.306 -4.640 -3.677 175 2HB TRP 25 1HB TRP 25 -1.709 -3.116 -4.311 176 HD1 TRP 25 HD TRP 25 -3.957 -4.285 -1.313 177 HE1 TRP 25 1HE TRP 25 -3.388 -2.715 0.706 178 HE3 TRP 25 3HE TRP 25 -0.605 -1.094 -3.524 179 HZ2 TRP 25 2HZ TRP 25 -1.911 -0.541 1.193 180 HZ3 TRP 25 3HZ TRP 25 0.374 0.672 -2.111 181 HH2 TRP 25 HH TRP 25 -0.281 0.982 0.171 182 H LYS 26 H LYS 26 -6.312 -3.746 -4.925 183 HA LYS 26 HA LYS 26 -7.823 -5.415 -4.697 184 1HB LYS 26 2HB LYS 26 -7.382 -7.386 -6.070 185 2HB LYS 26 1HB LYS 26 -6.903 -5.918 -6.910 186 1HG LYS 26 2HG LYS 26 -4.579 -6.344 -6.409 187 2HG LYS 26 1HG LYS 26 -5.019 -7.761 -5.452 188 1HD LYS 26 2HD LYS 26 -5.939 -8.826 -7.454 189 2HD LYS 26 1HD LYS 26 -5.511 -7.405 -8.410 190 1HE LYS 26 2HE LYS 26 -3.150 -7.769 -7.904 191 2HE LYS 26 1HE LYS 26 -3.570 -9.176 -6.927 192 1HZ LYS 26 1HZ LYS 26 -4.071 -8.894 -9.842 193 2HZ LYS 26 2HZ LYS 26 -4.447 -10.249 -8.902 194 3HZ LYS 26 3HZ LYS 26 -2.831 -9.809 -9.142 195 H ASP 27 H ASP 27 -6.074 -5.092 -2.437 196 HA ASP 27 HA ASP 27 -5.702 -6.153 -0.450 197 1HB ASP 27 2HB ASP 27 -7.049 -8.644 -1.436 198 2HB ASP 27 1HB ASP 27 -7.083 -7.924 0.169 199 H GLY 28 H GLY 28 -3.989 -6.516 -2.899 200 1HA GLY 28 2HA GLY 28 -2.894 -8.984 -3.256 201 2HA GLY 28 1HA GLY 28 -1.937 -7.508 -3.257 202 H HIS 29 H HIS 29 -1.392 -6.677 -0.987 203 HA HIS 29 HA HIS 29 -1.005 -8.895 0.854 204 1HB HIS 29 2HB HIS 29 1.037 -7.532 -0.641 205 2HB HIS 29 1HB HIS 29 1.276 -7.214 1.073 206 HD1 HIS 29 1HD HIS 29 2.261 -9.506 -1.423 207 HD2 HIS 29 2HD HIS 29 1.096 -9.898 2.546 208 HE1 HIS 29 1HE HIS 29 3.152 -11.736 -0.679 209 HE2 HIS 29 2HE HIS 29 2.327 -12.004 1.686 210 H SER 30 H SER 30 -2.456 -8.241 2.295 211 HA SER 30 HA SER 30 -3.553 -6.947 3.849 212 1HB SER 30 2HB SER 30 -1.572 -7.917 4.927 213 2HB SER 30 1HB SER 30 -0.666 -6.443 4.535 214 HG SER 30 HG SER 30 -2.452 -6.921 6.554 215 HA PRO 31 HA PRO 31 -4.126 -2.507 2.380 216 1HB PRO 31 2HB PRO 31 -5.083 -2.352 5.155 217 2HB PRO 31 1HB PRO 31 -5.983 -2.100 3.662 218 1HG PRO 31 2HG PRO 31 -5.765 -4.519 5.315 219 2HG PRO 31 1HG PRO 31 -6.952 -4.134 4.069 220 1HD PRO 31 2HD PRO 31 -5.151 -6.049 3.661 221 2HD PRO 31 1HD PRO 31 -5.583 -4.942 2.341 222 H SER 32 H SER 32 -2.356 -1.233 2.476 223 HA SER 32 HA SER 32 -1.034 -0.782 5.002 224 1HB SER 32 2HB SER 32 -0.014 -2.834 4.166 225 2HB SER 32 1HB SER 32 0.509 -1.962 2.714 226 HG SER 32 HG SER 32 2.089 -1.130 3.828 227 H TRP 33 H TRP 33 1.145 0.430 4.552 228 HA TRP 33 HA TRP 33 0.460 2.595 2.708 229 1HB TRP 33 2HB TRP 33 0.802 2.983 5.224 230 2HB TRP 33 1HB TRP 33 2.495 2.593 4.967 231 HD1 TRP 33 HD TRP 33 3.816 4.325 3.220 232 HE1 TRP 33 1HE TRP 33 3.518 6.860 2.987 233 HE3 TRP 33 3HE TRP 33 -0.749 4.851 5.464 234 HZ2 TRP 33 2HZ TRP 33 1.609 8.841 3.642 235 HZ3 TRP 33 3HZ TRP 33 -1.741 7.099 5.610 236 HH2 TRP 33 HH TRP 33 -0.585 9.051 4.703 237 H VAL 34 H VAL 34 1.312 1.676 0.817 238 HA VAL 34 HA VAL 34 4.126 1.940 0.437 239 HB VAL 34 HB VAL 34 3.233 -0.541 1.231 240 1HG1 VAL 34 1HG1 VAL 34 3.295 -0.616 -1.741 241 2HG1 VAL 34 2HG1 VAL 34 2.193 -1.361 -0.616 242 3HG1 VAL 34 3HG1 VAL 34 3.818 -1.986 -0.806 243 1HG2 VAL 34 1HG2 VAL 34 5.739 -0.411 -0.296 244 2HG2 VAL 34 2HG2 VAL 34 5.401 -1.006 1.317 245 3HG2 VAL 34 3HG2 VAL 34 5.520 0.722 1.028 246 HA PRO 35 HA PRO 35 2.677 2.479 -3.777 247 1HB PRO 35 2HB PRO 35 4.756 2.013 -5.258 248 2HB PRO 35 1HB PRO 35 4.916 3.158 -3.921 249 1HG PRO 35 2HG PRO 35 5.749 0.301 -4.079 250 2HG PRO 35 1HG PRO 35 6.637 1.679 -3.428 251 1HD PRO 35 2HD PRO 35 5.100 -0.133 -1.977 252 2HD PRO 35 1HD PRO 35 5.620 1.448 -1.381 253 H SER 36 H SER 36 1.117 1.259 -4.660 254 HA SER 36 HA SER 36 0.206 -0.128 -6.203 255 1HB SER 36 2HB SER 36 2.172 0.278 -7.561 256 2HB SER 36 1HB SER 36 3.046 -0.998 -6.714 257 HG SER 36 HG SER 36 2.204 -2.321 -8.093 258 H SER 37 H SER 37 1.828 -1.405 -3.469 259 HA SER 37 HA SER 37 0.086 -3.674 -3.623 260 1HB SER 37 2HB SER 37 3.055 -4.184 -3.800 261 2HB SER 37 1HB SER 37 1.826 -5.418 -3.538 262 HG SER 37 HG SER 37 0.892 -4.547 -5.579 263 H TYR 38 H TYR 38 3.178 -3.761 -1.954 264 HA TYR 38 HA TYR 38 2.410 -2.879 0.556 265 1HB TYR 38 2HB TYR 38 0.681 -4.490 0.562 266 2HB TYR 38 1HB TYR 38 1.811 -5.759 0.091 267 HD1 TYR 38 1HD TYR 38 0.291 -4.008 2.692 268 HD2 TYR 38 2HD TYR 38 3.674 -6.321 1.785 269 HE1 TYR 38 1HE TYR 38 0.571 -4.426 5.073 270 HE2 TYR 38 2HE TYR 38 4.033 -6.786 4.167 271 HH TYR 38 HH TYR 38 3.439 -5.775 6.354 272 H ILE 39 H ILE 39 4.129 -2.987 1.921 273 HA ILE 39 HA ILE 39 6.083 -5.013 1.801 274 HB ILE 39 HB ILE 39 7.460 -4.347 0.217 275 1HG1 ILE 39 2HG1 ILE 39 8.715 -3.101 1.941 276 2HG1 ILE 39 1HG1 ILE 39 8.886 -2.419 0.340 277 1HG2 ILE 39 1HG2 ILE 39 6.029 -3.490 -1.243 278 2HG2 ILE 39 2HG2 ILE 39 6.942 -2.017 -0.954 279 3HG2 ILE 39 3HG2 ILE 39 5.417 -2.287 -0.137 280 1HD1 ILE 39 1HD1 ILE 39 7.564 -0.561 0.860 281 2HD1 ILE 39 2HD1 ILE 39 8.633 -0.791 2.237 282 3HD1 ILE 39 3HD1 ILE 39 6.954 -1.295 2.338 283 H ALA 40 H ALA 40 4.350 -3.833 3.630 284 HA ALA 40 HA ALA 40 5.682 -1.931 5.280 285 1HB ALA 40 1HB ALA 40 3.483 -3.857 5.988 286 2HB ALA 40 2HB ALA 40 3.273 -2.236 5.329 287 3HB ALA 40 3HB ALA 40 3.975 -2.451 6.931 288 H ALA 41 H ALA 41 7.733 -2.604 5.693 289 HA ALA 41 HA ALA 41 8.431 -3.820 7.985 290 1HB ALA 41 1HB ALA 41 7.484 -5.920 7.509 291 2HB ALA 41 2HB ALA 41 9.207 -6.130 7.200 292 3HB ALA 41 3HB ALA 41 8.090 -5.915 5.853 293 H ASP 42 H ASP 42 9.149 -3.322 4.619 294 HA ASP 42 HA ASP 42 11.995 -3.100 5.322 295 1HB ASP 42 2HB ASP 42 10.771 -4.006 2.715 296 2HB ASP 42 1HB ASP 42 12.482 -3.651 2.929 297 H VAL 43 H VAL 43 10.541 -2.134 2.255 298 HA VAL 43 HA VAL 43 10.207 0.556 2.637 299 HB VAL 43 HB VAL 43 12.520 0.708 3.378 300 1HG1 VAL 43 1HG1 VAL 43 13.405 -1.231 2.181 301 2HG1 VAL 43 2HG1 VAL 43 14.378 0.209 1.884 302 3HG1 VAL 43 3HG1 VAL 43 13.249 -0.361 0.655 303 1HG2 VAL 43 1HG2 VAL 43 11.584 2.612 2.184 304 2HG2 VAL 43 2HG2 VAL 43 12.116 1.926 0.649 305 3HG2 VAL 43 3HG2 VAL 43 13.306 2.448 1.841 306 H VAL 44 H VAL 44 11.391 -1.949 0.484 307 HA VAL 44 HA VAL 44 11.393 -0.680 -1.957 308 HB VAL 44 HB VAL 44 11.097 -2.922 -2.932 309 1HG1 VAL 44 1HG1 VAL 44 12.981 -4.012 -1.839 310 2HG1 VAL 44 2HG1 VAL 44 12.823 -2.915 -0.467 311 3HG1 VAL 44 3HG1 VAL 44 13.274 -2.286 -2.051 312 1HG2 VAL 44 1HG2 VAL 44 10.693 -4.000 -0.165 313 2HG2 VAL 44 2HG2 VAL 44 10.442 -4.804 -1.714 314 3HG2 VAL 44 3HG2 VAL 44 9.325 -3.550 -1.178 315 H SER 45 H SER 45 9.675 -1.859 -3.705 316 HA SER 45 HA SER 45 7.110 -0.600 -3.024 317 1HB SER 45 2HB SER 45 8.085 0.477 -4.875 318 2HB SER 45 1HB SER 45 8.601 -1.040 -5.604 319 HG SER 45 HG SER 45 6.787 -1.040 -6.639 320 H GLU 46 H GLU 46 7.954 -3.546 -2.517 321 HA GLU 46 HA GLU 46 5.435 -4.678 -3.124 322 1HB GLU 46 2HB GLU 46 6.268 -4.764 -5.397 323 2HB GLU 46 1HB GLU 46 7.725 -5.592 -4.864 324 1HG GLU 46 2HG GLU 46 6.405 -7.517 -4.187 325 2HG GLU 46 1HG GLU 46 4.927 -6.686 -4.669 326 H TYR 47 H TYR 47 5.018 -6.468 -1.930 327 HA TYR 47 HA TYR 47 7.225 -7.545 -0.331 328 1HB TYR 47 2HB TYR 47 5.400 -6.604 0.965 329 2HB TYR 47 1HB TYR 47 4.218 -7.620 0.138 330 HD1 TYR 47 1HD TYR 47 7.510 -8.921 1.133 331 HD2 TYR 47 2HD TYR 47 3.407 -8.579 2.211 332 HE1 TYR 47 1HE TYR 47 7.824 -10.649 2.854 333 HE2 TYR 47 2HE TYR 47 3.711 -10.306 3.935 334 HH TYR 47 HH TYR 47 5.217 -12.160 4.441 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -13.377 -3.165 7.719 2 2H GLY 1 2HT GLY 1 -14.300 -1.982 8.500 3 3H GLY 1 3HT GLY 1 -14.272 -3.564 9.099 4 1HA GLY 1 1HA GLY 1 -12.894 -2.136 10.461 5 2HA GLY 1 2HA GLY 1 -11.935 -3.362 9.645 6 H SER 2 H SER 2 -10.227 -2.719 8.488 7 HA SER 2 HA SER 2 -10.142 -0.090 7.283 8 1HB SER 2 2HB SER 2 -8.175 -0.859 9.454 9 2HB SER 2 1HB SER 2 -8.051 0.569 8.428 10 HG SER 2 HG SER 2 -9.649 0.102 10.611 11 H GLY 3 H GLY 3 -8.658 0.070 5.619 12 1HA GLY 3 2HA GLY 3 -7.132 -0.628 4.044 13 2HA GLY 3 1HA GLY 3 -6.543 -1.791 5.221 14 H GLU 4 H GLU 4 -6.705 -2.390 2.514 15 HA GLU 4 HA GLU 4 -7.412 -4.006 1.094 16 1HB GLU 4 2HB GLU 4 -6.963 -5.636 2.646 17 2HB GLU 4 1HB GLU 4 -8.172 -5.054 3.783 18 1HG GLU 4 2HG GLU 4 -9.939 -6.028 2.468 19 2HG GLU 4 1HG GLU 4 -8.795 -6.505 1.216 20 H VAL 5 H VAL 5 -9.277 -1.692 2.012 21 HA VAL 5 HA VAL 5 -11.914 -2.718 1.483 22 HB VAL 5 HB VAL 5 -11.129 0.189 1.471 23 1HG1 VAL 5 1HG1 VAL 5 -13.675 -1.219 2.275 24 2HG1 VAL 5 2HG1 VAL 5 -13.399 -0.410 0.733 25 3HG1 VAL 5 3HG1 VAL 5 -13.412 0.524 2.229 26 1HG2 VAL 5 1HG2 VAL 5 -11.737 -1.535 3.874 27 2HG2 VAL 5 2HG2 VAL 5 -11.562 0.219 3.889 28 3HG2 VAL 5 3HG2 VAL 5 -10.182 -0.802 3.485 29 H ASN 6 H ASN 6 -9.426 -1.003 -0.305 30 HA ASN 6 HA ASN 6 -9.170 -0.484 -2.502 31 1HB ASN 6 2HB ASN 6 -9.512 -2.932 -2.737 32 2HB ASN 6 1HB ASN 6 -11.241 -2.651 -2.923 33 1HD2 ASN 6 1HD2 ASN 6 -9.150 -3.790 -4.717 34 2HD2 ASN 6 2HD2 ASN 6 -9.304 -2.903 -6.192 35 H LYS 7 H LYS 7 -10.023 1.605 -2.342 36 HA LYS 7 HA LYS 7 -12.510 1.977 -3.770 37 1HB LYS 7 2HB LYS 7 -13.227 3.660 -1.933 38 2HB LYS 7 1HB LYS 7 -13.530 1.947 -1.691 39 1HG LYS 7 2HG LYS 7 -11.177 2.047 -0.473 40 2HG LYS 7 1HG LYS 7 -11.615 3.750 -0.310 41 1HD LYS 7 2HD LYS 7 -13.522 1.570 0.458 42 2HD LYS 7 1HD LYS 7 -12.301 2.173 1.581 43 1HE LYS 7 2HE LYS 7 -14.444 3.812 0.226 44 2HE LYS 7 1HE LYS 7 -14.447 3.293 1.911 45 1HZ LYS 7 1HZ LYS 7 -12.378 4.582 2.214 46 2HZ LYS 7 2HZ LYS 7 -13.702 5.546 1.792 47 3HZ LYS 7 3HZ LYS 7 -12.531 5.168 0.633 48 H ILE 8 H ILE 8 -10.384 3.958 -1.729 49 HA ILE 8 HA ILE 8 -9.662 5.591 -4.045 50 HB ILE 8 HB ILE 8 -11.558 6.700 -2.899 51 1HG1 ILE 8 2HG1 ILE 8 -9.657 7.969 -4.015 52 2HG1 ILE 8 1HG1 ILE 8 -10.618 8.878 -2.856 53 1HG2 ILE 8 1HG2 ILE 8 -11.394 7.492 -0.652 54 2HG2 ILE 8 2HG2 ILE 8 -9.720 6.952 -0.529 55 3HG2 ILE 8 3HG2 ILE 8 -11.020 5.767 -0.650 56 1HD1 ILE 8 1HD1 ILE 8 -7.794 7.997 -2.707 57 2HD1 ILE 8 2HD1 ILE 8 -8.706 8.104 -1.205 58 3HD1 ILE 8 3HD1 ILE 8 -8.534 9.523 -2.234 59 H ILE 9 H ILE 9 -7.483 5.973 -4.048 60 HA ILE 9 HA ILE 9 -6.123 5.634 -1.483 61 HB ILE 9 HB ILE 9 -4.313 4.510 -2.488 62 1HG1 ILE 9 2HG1 ILE 9 -5.587 4.988 -5.194 63 2HG1 ILE 9 1HG1 ILE 9 -4.231 5.917 -4.562 64 1HG2 ILE 9 1HG2 ILE 9 -5.341 2.516 -3.247 65 2HG2 ILE 9 2HG2 ILE 9 -6.738 3.391 -3.869 66 3HG2 ILE 9 3HG2 ILE 9 -6.486 3.261 -2.132 67 1HD1 ILE 9 1HD1 ILE 9 -2.910 3.843 -4.447 68 2HD1 ILE 9 2HD1 ILE 9 -3.430 4.246 -6.083 69 3HD1 ILE 9 3HD1 ILE 9 -4.258 2.979 -5.181 70 H GLY 10 H GLY 10 -4.817 7.085 -0.783 71 1HA GLY 10 2HA GLY 10 -3.422 8.940 -2.550 72 2HA GLY 10 1HA GLY 10 -4.544 9.650 -1.387 73 H SER 11 H SER 11 -1.416 8.319 -1.837 74 HA SER 11 HA SER 11 -0.794 8.804 0.958 75 1HB SER 11 2HB SER 11 -0.050 6.282 -0.412 76 2HB SER 11 1HB SER 11 0.168 6.679 1.286 77 HG SER 11 HG SER 11 -2.279 6.253 -0.084 78 H ARG 12 H ARG 12 1.524 8.267 1.394 79 HA ARG 12 HA ARG 12 3.438 8.700 -0.638 80 1HB ARG 12 2HB ARG 12 4.257 10.922 0.283 81 2HB ARG 12 1HB ARG 12 2.784 10.983 -0.675 82 1HG ARG 12 2HG ARG 12 1.453 11.428 1.153 83 2HG ARG 12 1HG ARG 12 2.608 10.741 2.295 84 1HD ARG 12 2HD ARG 12 2.588 13.137 2.531 85 2HD ARG 12 1HD ARG 12 4.129 12.632 1.839 86 HE ARG 12 HE ARG 12 2.361 13.283 -0.243 87 1HH1 ARG 12 1HH1 ARG 12 4.149 14.794 2.336 88 2HH1 ARG 12 2HH1 ARG 12 4.299 16.314 1.518 89 1HH2 ARG 12 1HH2 ARG 12 2.552 15.284 -1.331 90 2HH2 ARG 12 2HH2 ARG 12 3.392 16.593 -0.566 91 H THR 13 H THR 13 4.680 7.063 0.292 92 HA THR 13 HA THR 13 5.197 7.156 3.100 93 HB THR 13 HB THR 13 6.820 5.284 1.599 94 HG1 THR 13 1HG THR 13 5.134 4.068 0.829 95 1HG2 THR 13 1HG2 THR 13 5.111 5.296 4.026 96 2HG2 THR 13 2HG2 THR 13 6.803 4.835 3.841 97 3HG2 THR 13 3HG2 THR 13 5.527 3.755 3.277 98 H ALA 14 H ALA 14 7.554 6.613 0.518 99 HA ALA 14 HA ALA 14 9.143 8.864 1.508 100 1HB ALA 14 1HB ALA 14 9.794 7.104 3.031 101 2HB ALA 14 2HB ALA 14 11.132 7.505 1.954 102 3HB ALA 14 3HB ALA 14 10.183 6.046 1.675 103 H GLY 15 H GLY 15 9.659 5.916 -0.417 104 1HA GLY 15 2HA GLY 15 9.687 6.289 -2.902 105 2HA GLY 15 1HA GLY 15 10.734 7.663 -2.558 106 H GLU 16 H GLU 16 12.331 6.571 -0.584 107 HA GLU 16 HA GLU 16 14.287 5.219 -2.058 108 1HB GLU 16 2HB GLU 16 15.511 5.096 -0.047 109 2HB GLU 16 1HB GLU 16 14.514 6.533 0.145 110 1HG GLU 16 2HG GLU 16 14.356 5.480 2.198 111 2HG GLU 16 1HG GLU 16 12.874 4.999 1.373 112 H GLY 17 H GLY 17 11.531 4.167 -0.249 113 1HA GLY 17 2HA GLY 17 11.949 1.433 -1.209 114 2HA GLY 17 1HA GLY 17 11.632 1.693 0.503 115 H ALA 18 H ALA 18 9.658 3.207 0.871 116 HA ALA 18 HA ALA 18 7.514 2.224 -0.827 117 1HB ALA 18 1HB ALA 18 7.069 3.255 1.933 118 2HB ALA 18 2HB ALA 18 7.568 1.591 1.646 119 3HB ALA 18 3HB ALA 18 6.032 2.170 0.992 120 H MET 19 H MET 19 5.699 3.663 -1.353 121 HA MET 19 HA MET 19 6.031 6.456 -0.651 122 1HB MET 19 2HB MET 19 7.277 5.556 -2.977 123 2HB MET 19 1HB MET 19 5.821 6.364 -3.542 124 1HG MET 19 2HG MET 19 6.590 8.223 -1.863 125 2HG MET 19 1HG MET 19 8.158 7.463 -2.091 126 1HE MET 19 1HE MET 19 7.845 6.407 -5.065 127 2HE MET 19 2HE MET 19 9.329 7.221 -4.572 128 3HE MET 19 3HE MET 19 8.492 7.726 -6.039 129 H GLU 20 H GLU 20 3.856 4.412 -0.511 130 HA GLU 20 HA GLU 20 1.685 6.056 -1.230 131 1HB GLU 20 2HB GLU 20 2.025 3.476 -2.713 132 2HB GLU 20 1HB GLU 20 0.511 4.341 -2.635 133 1HG GLU 20 2HG GLU 20 1.990 6.303 -3.547 134 2HG GLU 20 1HG GLU 20 3.037 4.976 -4.064 135 H TYR 21 H TYR 21 -0.508 4.584 -0.543 136 HA TYR 21 HA TYR 21 0.223 2.706 1.394 137 1HB TYR 21 2HB TYR 21 0.249 3.752 3.316 138 2HB TYR 21 1HB TYR 21 0.425 5.201 2.371 139 HD1 TYR 21 1HD TYR 21 -0.920 6.949 2.971 140 HD2 TYR 21 2HD TYR 21 -2.320 2.975 3.695 141 HE1 TYR 21 1HE TYR 21 -2.888 7.862 4.113 142 HE2 TYR 21 2HE TYR 21 -4.293 3.897 4.848 143 HH TYR 21 HH TYR 21 -5.177 7.169 4.687 144 H LEU 22 H LEU 22 -2.346 4.281 -0.203 145 HA LEU 22 HA LEU 22 -4.238 2.688 1.312 146 1HB LEU 22 2HB LEU 22 -4.474 4.948 -0.607 147 2HB LEU 22 1HB LEU 22 -5.836 3.869 -0.457 148 HG LEU 22 HG LEU 22 -6.321 5.633 0.979 149 1HD1 LEU 22 1HD1 LEU 22 -5.039 3.599 2.790 150 2HD1 LEU 22 2HD1 LEU 22 -6.598 3.386 1.998 151 3HD1 LEU 22 3HD1 LEU 22 -6.374 4.684 3.170 152 1HD2 LEU 22 1HD2 LEU 22 -4.033 6.588 0.906 153 2HD2 LEU 22 2HD2 LEU 22 -3.564 5.434 2.150 154 3HD2 LEU 22 3HD2 LEU 22 -4.788 6.653 2.498 155 H ILE 23 H ILE 23 -5.351 1.181 0.799 156 HA ILE 23 HA ILE 23 -5.142 -0.957 -0.358 157 HB ILE 23 HB ILE 23 -7.507 -1.049 -1.197 158 1HG1 ILE 23 2HG1 ILE 23 -7.471 1.487 -1.725 159 2HG1 ILE 23 1HG1 ILE 23 -8.921 0.801 -1.007 160 1HG2 ILE 23 1HG2 ILE 23 -8.115 -0.101 1.340 161 2HG2 ILE 23 2HG2 ILE 23 -6.437 -0.644 1.440 162 3HG2 ILE 23 3HG2 ILE 23 -7.691 -1.748 0.878 163 1HD1 ILE 23 1HD1 ILE 23 -8.787 2.165 0.728 164 2HD1 ILE 23 2HD1 ILE 23 -7.490 3.003 -0.117 165 3HD1 ILE 23 3HD1 ILE 23 -7.110 1.722 1.032 166 H GLU 24 H GLU 24 -7.262 -0.169 -2.857 167 HA GLU 24 HA GLU 24 -7.079 -0.609 -5.078 168 1HB GLU 24 2HB GLU 24 -6.263 1.762 -4.854 169 2HB GLU 24 1HB GLU 24 -4.622 1.130 -4.872 170 1HG GLU 24 2HG GLU 24 -4.910 0.298 -7.103 171 2HG GLU 24 1HG GLU 24 -6.623 0.714 -7.082 172 H TRP 25 H TRP 25 -5.612 -2.402 -3.192 173 HA TRP 25 HA TRP 25 -3.878 -3.579 -5.209 174 1HB TRP 25 2HB TRP 25 -2.270 -4.192 -3.296 175 2HB TRP 25 1HB TRP 25 -2.192 -2.594 -4.005 176 HD1 TRP 25 HD TRP 25 -4.436 -3.846 -1.002 177 HE1 TRP 25 1HE TRP 25 -3.902 -2.278 0.999 178 HE3 TRP 25 3HE TRP 25 -0.857 -0.849 -3.115 179 HZ2 TRP 25 2HZ TRP 25 -2.219 -0.168 1.601 180 HZ3 TRP 25 3HZ TRP 25 0.173 0.910 -1.725 181 HH2 TRP 25 HH TRP 25 -0.463 1.212 0.556 182 H LYS 26 H LYS 26 -6.525 -4.266 -4.248 183 HA LYS 26 HA LYS 26 -7.748 -6.048 -3.473 184 1HB LYS 26 2HB LYS 26 -6.767 -6.667 -5.737 185 2HB LYS 26 1HB LYS 26 -5.596 -7.640 -4.858 186 1HG LYS 26 2HG LYS 26 -7.272 -9.132 -5.519 187 2HG LYS 26 1HG LYS 26 -7.584 -8.822 -3.812 188 1HD LYS 26 2HD LYS 26 -9.327 -7.236 -4.389 189 2HD LYS 26 1HD LYS 26 -8.976 -7.447 -6.106 190 1HE LYS 26 2HE LYS 26 -9.572 -9.840 -5.889 191 2HE LYS 26 1HE LYS 26 -10.021 -9.546 -4.210 192 1HZ LYS 26 1HZ LYS 26 -11.275 -8.284 -6.588 193 2HZ LYS 26 2HZ LYS 26 -11.700 -7.978 -4.981 194 3HZ LYS 26 3HZ LYS 26 -11.954 -9.512 -5.644 195 H ASP 27 H ASP 27 -5.683 -5.210 -1.573 196 HA ASP 27 HA ASP 27 -4.535 -5.934 0.267 197 1HB ASP 27 2HB ASP 27 -5.859 -7.314 1.719 198 2HB ASP 27 1HB ASP 27 -6.940 -6.260 0.814 199 H GLY 28 H GLY 28 -3.528 -7.158 -2.156 200 1HA GLY 28 2HA GLY 28 -3.183 -9.881 -2.157 201 2HA GLY 28 1HA GLY 28 -1.917 -8.758 -2.629 202 H HIS 29 H HIS 29 -1.120 -7.578 -0.410 203 HA HIS 29 HA HIS 29 -0.555 -9.663 1.548 204 1HB HIS 29 2HB HIS 29 1.353 -9.156 -0.154 205 2HB HIS 29 1HB HIS 29 1.541 -7.643 0.740 206 HD1 HIS 29 1HD HIS 29 2.143 -11.312 0.976 207 HD2 HIS 29 2HD HIS 29 2.569 -7.930 3.353 208 HE1 HIS 29 1HE HIS 29 3.578 -12.028 2.913 209 HE2 HIS 29 2HE HIS 29 3.767 -9.984 4.373 210 H SER 30 H SER 30 -1.965 -8.798 3.004 211 HA SER 30 HA SER 30 -2.863 -7.350 4.541 212 1HB SER 30 2HB SER 30 -0.733 -8.238 5.502 213 2HB SER 30 1HB SER 30 0.062 -6.748 4.953 214 HG SER 30 HG SER 30 -0.570 -6.019 6.826 215 HA PRO 31 HA PRO 31 -3.350 -3.158 2.526 216 1HB PRO 31 2HB PRO 31 -4.308 -2.570 5.242 217 2HB PRO 31 1HB PRO 31 -5.163 -2.422 3.707 218 1HG PRO 31 2HG PRO 31 -5.293 -4.564 5.654 219 2HG PRO 31 1HG PRO 31 -6.272 -4.331 4.201 220 1HD PRO 31 2HD PRO 31 -4.478 -6.368 4.495 221 2HD PRO 31 1HD PRO 31 -4.908 -5.674 2.913 222 H SER 32 H SER 32 -1.636 -1.768 2.493 223 HA SER 32 HA SER 32 -0.106 -1.494 4.980 224 1HB SER 32 2HB SER 32 0.978 -2.624 2.426 225 2HB SER 32 1HB SER 32 2.020 -1.940 3.675 226 HG SER 32 HG SER 32 0.111 -3.903 4.330 227 H TRP 33 H TRP 33 1.826 -0.033 4.675 228 HA TRP 33 HA TRP 33 1.031 2.160 2.939 229 1HB TRP 33 2HB TRP 33 1.596 2.469 5.448 230 2HB TRP 33 1HB TRP 33 3.281 2.257 4.966 231 HD1 TRP 33 HD TRP 33 3.509 3.920 2.450 232 HE1 TRP 33 1HE TRP 33 3.191 6.473 2.431 233 HE3 TRP 33 3HE TRP 33 0.762 4.410 6.719 234 HZ2 TRP 33 2HZ TRP 33 1.927 8.432 4.012 235 HZ3 TRP 33 3HZ TRP 33 0.024 6.661 7.393 236 HH2 TRP 33 HH TRP 33 0.596 8.628 6.061 237 H VAL 34 H VAL 34 1.734 1.767 1.010 238 HA VAL 34 HA VAL 34 4.497 1.040 0.419 239 HB VAL 34 HB VAL 34 3.743 -1.205 0.567 240 1HG1 VAL 34 1HG1 VAL 34 1.237 -1.518 -0.357 241 2HG1 VAL 34 2HG1 VAL 34 1.181 0.105 0.263 242 3HG1 VAL 34 3HG1 VAL 34 1.650 -1.203 1.319 243 1HG2 VAL 34 1HG2 VAL 34 3.816 -2.027 -1.522 244 2HG2 VAL 34 2HG2 VAL 34 3.913 -0.375 -2.068 245 3HG2 VAL 34 3HG2 VAL 34 2.369 -1.155 -1.979 246 HA PRO 35 HA PRO 35 4.083 3.602 -3.191 247 1HB PRO 35 2HB PRO 35 5.396 1.401 -4.656 248 2HB PRO 35 1HB PRO 35 5.870 3.092 -4.504 249 1HG PRO 35 2HG PRO 35 7.131 1.117 -3.201 250 2HG PRO 35 1HG PRO 35 6.929 2.740 -2.511 251 1HD PRO 35 2HD PRO 35 5.568 0.201 -1.855 252 2HD PRO 35 1HD PRO 35 5.907 1.572 -0.814 253 H SER 36 H SER 36 2.647 0.435 -3.283 254 HA SER 36 HA SER 36 0.648 1.127 -5.066 255 1HB SER 36 2HB SER 36 2.245 1.375 -6.826 256 2HB SER 36 1HB SER 36 3.004 -0.170 -6.440 257 HG SER 36 HG SER 36 0.405 0.255 -7.496 258 H SER 37 H SER 37 2.646 -1.482 -3.813 259 HA SER 37 HA SER 37 0.282 -3.228 -3.986 260 1HB SER 37 2HB SER 37 3.189 -4.052 -3.794 261 2HB SER 37 1HB SER 37 1.816 -5.152 -3.842 262 HG SER 37 HG SER 37 2.994 -3.694 -5.870 263 H TYR 38 H TYR 38 3.075 -3.845 -1.935 264 HA TYR 38 HA TYR 38 2.267 -2.898 0.552 265 1HB TYR 38 2HB TYR 38 1.927 -5.625 1.064 266 2HB TYR 38 1HB TYR 38 0.773 -4.340 1.338 267 HD1 TYR 38 1HD TYR 38 -1.233 -4.635 0.482 268 HD2 TYR 38 2HD TYR 38 2.095 -6.280 -1.554 269 HE1 TYR 38 1HE TYR 38 -2.766 -5.611 -1.216 270 HE2 TYR 38 2HE TYR 38 0.615 -7.281 -3.249 271 HH TYR 38 HH TYR 38 -1.766 -7.973 -3.432 272 H ILE 39 H ILE 39 4.094 -2.797 1.619 273 HA ILE 39 HA ILE 39 6.110 -4.858 1.087 274 HB ILE 39 HB ILE 39 7.695 -3.400 0.259 275 1HG1 ILE 39 2HG1 ILE 39 6.367 -1.164 1.814 276 2HG1 ILE 39 1HG1 ILE 39 7.930 -1.897 2.147 277 1HG2 ILE 39 1HG2 ILE 39 5.327 -1.713 -0.386 278 2HG2 ILE 39 2HG2 ILE 39 5.541 -3.318 -1.088 279 3HG2 ILE 39 3HG2 ILE 39 6.736 -2.037 -1.385 280 1HD1 ILE 39 1HD1 ILE 39 7.174 0.064 0.055 281 2HD1 ILE 39 2HD1 ILE 39 8.498 -1.058 -0.259 282 3HD1 ILE 39 3HD1 ILE 39 8.574 0.031 1.127 283 H ALA 40 H ALA 40 4.316 -4.303 3.292 284 HA ALA 40 HA ALA 40 5.560 -2.959 5.408 285 1HB ALA 40 1HB ALA 40 3.934 -3.994 6.801 286 2HB ALA 40 2HB ALA 40 3.687 -5.296 5.633 287 3HB ALA 40 3HB ALA 40 3.175 -3.653 5.244 288 H ALA 41 H ALA 41 7.694 -3.475 5.566 289 HA ALA 41 HA ALA 41 8.622 -5.227 7.383 290 1HB ALA 41 1HB ALA 41 7.905 -7.183 6.285 291 2HB ALA 41 2HB ALA 41 9.628 -7.076 5.927 292 3HB ALA 41 3HB ALA 41 8.445 -6.598 4.711 293 H ASP 42 H ASP 42 9.503 -4.702 3.985 294 HA ASP 42 HA ASP 42 11.274 -2.671 4.126 295 1HB ASP 42 2HB ASP 42 12.637 -3.756 5.788 296 2HB ASP 42 1HB ASP 42 12.677 -5.253 4.863 297 H VAL 43 H VAL 43 10.199 -2.692 2.033 298 HA VAL 43 HA VAL 43 11.850 -4.038 0.042 299 HB VAL 43 HB VAL 43 9.065 -4.265 -0.768 300 1HG1 VAL 43 1HG1 VAL 43 11.280 -6.292 -0.546 301 2HG1 VAL 43 2HG1 VAL 43 10.975 -5.248 -1.935 302 3HG1 VAL 43 3HG1 VAL 43 9.790 -6.468 -1.472 303 1HG2 VAL 43 1HG2 VAL 43 8.503 -6.218 0.626 304 2HG2 VAL 43 2HG2 VAL 43 8.630 -4.739 1.576 305 3HG2 VAL 43 3HG2 VAL 43 9.940 -5.919 1.603 306 H VAL 44 H VAL 44 10.232 -3.435 -2.203 307 HA VAL 44 HA VAL 44 9.802 -0.563 -1.969 308 HB VAL 44 HB VAL 44 11.145 -0.004 -3.880 309 1HG1 VAL 44 1HG1 VAL 44 13.142 0.030 -2.786 310 2HG1 VAL 44 2HG1 VAL 44 13.051 -1.671 -2.335 311 3HG1 VAL 44 3HG1 VAL 44 12.105 -0.476 -1.451 312 1HG2 VAL 44 1HG2 VAL 44 11.096 -1.816 -5.333 313 2HG2 VAL 44 2HG2 VAL 44 11.540 -2.966 -4.072 314 3HG2 VAL 44 3HG2 VAL 44 12.748 -1.857 -4.720 315 H SER 45 H SER 45 7.708 -0.538 -2.413 316 HA SER 45 HA SER 45 5.810 -0.440 -3.659 317 1HB SER 45 2HB SER 45 7.189 0.622 -5.358 318 2HB SER 45 1HB SER 45 7.709 -0.953 -5.956 319 HG SER 45 HG SER 45 6.006 -0.907 -7.165 320 H GLU 46 H GLU 46 7.168 -3.142 -2.825 321 HA GLU 46 HA GLU 46 4.996 -4.772 -3.527 322 1HB GLU 46 2HB GLU 46 6.778 -4.399 -5.608 323 2HB GLU 46 1HB GLU 46 7.229 -5.974 -4.953 324 1HG GLU 46 2HG GLU 46 4.927 -6.749 -5.208 325 2HG GLU 46 1HG GLU 46 4.466 -5.173 -5.850 326 H TYR 47 H TYR 47 4.906 -6.472 -2.186 327 HA TYR 47 HA TYR 47 6.817 -6.820 -0.147 328 1HB TYR 47 2HB TYR 47 4.454 -7.384 0.158 329 2HB TYR 47 1HB TYR 47 4.596 -8.677 -1.026 330 HD1 TYR 47 1HD TYR 47 5.823 -7.554 2.296 331 HD2 TYR 47 2HD TYR 47 5.278 -10.826 -0.368 332 HE1 TYR 47 1HE TYR 47 6.441 -9.113 4.094 333 HE2 TYR 47 2HE TYR 47 5.895 -12.394 1.422 334 HH TYR 47 HH TYR 47 7.178 -12.369 3.531 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -5.961 3.409 8.199 2 2H GLY 1 2HT GLY 1 -6.440 4.150 9.641 3 3H GLY 1 3HT GLY 1 -7.328 4.406 8.224 4 1HA GLY 1 1HA GLY 1 -7.053 1.825 9.666 5 2HA GLY 1 2HA GLY 1 -8.474 2.857 9.681 6 H SER 2 H SER 2 -9.285 0.618 8.965 7 HA SER 2 HA SER 2 -10.130 -0.752 7.352 8 1HB SER 2 2HB SER 2 -11.007 0.393 5.350 9 2HB SER 2 1HB SER 2 -11.371 1.293 6.823 10 HG SER 2 HG SER 2 -10.424 2.422 4.860 11 H GLY 3 H GLY 3 -9.885 -1.085 4.714 12 1HA GLY 3 2HA GLY 3 -7.769 -0.785 3.182 13 2HA GLY 3 1HA GLY 3 -7.057 -1.787 4.439 14 H GLU 4 H GLU 4 -7.230 -2.514 1.704 15 HA GLU 4 HA GLU 4 -7.689 -4.344 0.450 16 1HB GLU 4 2HB GLU 4 -7.150 -5.870 2.060 17 2HB GLU 4 1HB GLU 4 -8.335 -5.253 3.203 18 1HG GLU 4 2HG GLU 4 -10.114 -6.411 2.095 19 2HG GLU 4 1HG GLU 4 -9.045 -6.909 0.789 20 H VAL 5 H VAL 5 -9.911 -2.221 1.366 21 HA VAL 5 HA VAL 5 -12.319 -3.625 0.594 22 HB VAL 5 HB VAL 5 -11.887 -0.665 1.030 23 1HG1 VAL 5 1HG1 VAL 5 -14.402 -2.316 0.840 24 2HG1 VAL 5 2HG1 VAL 5 -13.854 -1.085 -0.298 25 3HG1 VAL 5 3HG1 VAL 5 -14.343 -0.624 1.334 26 1HG2 VAL 5 1HG2 VAL 5 -12.935 -1.080 3.239 27 2HG2 VAL 5 2HG2 VAL 5 -11.369 -1.869 3.054 28 3HG2 VAL 5 3HG2 VAL 5 -12.853 -2.812 2.917 29 H ASN 6 H ASN 6 -10.210 -1.147 -0.711 30 HA ASN 6 HA ASN 6 -9.583 -0.696 -2.846 31 1HB ASN 6 2HB ASN 6 -9.967 -2.986 -3.514 32 2HB ASN 6 1HB ASN 6 -11.692 -2.665 -3.725 33 1HD2 ASN 6 1HD2 ASN 6 -8.502 -2.171 -4.991 34 2HD2 ASN 6 2HD2 ASN 6 -8.987 -1.582 -6.542 35 H LYS 7 H LYS 7 -10.343 1.228 -2.030 36 HA LYS 7 HA LYS 7 -12.353 2.453 -3.716 37 1HB LYS 7 2HB LYS 7 -13.586 3.381 -1.815 38 2HB LYS 7 1HB LYS 7 -13.590 1.625 -1.723 39 1HG LYS 7 2HG LYS 7 -11.478 1.992 -0.208 40 2HG LYS 7 1HG LYS 7 -12.170 3.607 -0.013 41 1HD LYS 7 2HD LYS 7 -14.242 2.672 0.809 42 2HD LYS 7 1HD LYS 7 -13.658 1.034 0.504 43 1HE LYS 7 2HE LYS 7 -11.888 1.349 2.152 44 2HE LYS 7 1HE LYS 7 -12.437 3.000 2.440 45 1HZ LYS 7 1HZ LYS 7 -14.052 0.555 2.935 46 2HZ LYS 7 2HZ LYS 7 -14.521 2.145 3.270 47 3HZ LYS 7 3HZ LYS 7 -13.242 1.444 4.125 48 H ILE 8 H ILE 8 -12.232 4.738 -1.618 49 HA ILE 8 HA ILE 8 -10.445 6.485 -2.582 50 HB ILE 8 HB ILE 8 -12.031 6.827 -0.680 51 1HG1 ILE 8 2HG1 ILE 8 -10.237 8.501 -1.247 52 2HG1 ILE 8 1HG1 ILE 8 -10.793 8.558 0.420 53 1HG2 ILE 8 1HG2 ILE 8 -10.089 6.136 1.384 54 2HG2 ILE 8 2HG2 ILE 8 -10.663 4.742 0.466 55 3HG2 ILE 8 3HG2 ILE 8 -11.818 5.795 1.291 56 1HD1 ILE 8 1HD1 ILE 8 -8.150 8.040 -0.641 57 2HD1 ILE 8 2HD1 ILE 8 -8.660 6.828 0.534 58 3HD1 ILE 8 3HD1 ILE 8 -8.649 8.535 0.976 59 H ILE 9 H ILE 9 -8.171 6.907 -2.400 60 HA ILE 9 HA ILE 9 -6.691 5.209 -0.607 61 HB ILE 9 HB ILE 9 -4.972 4.810 -2.496 62 1HG1 ILE 9 2HG1 ILE 9 -6.407 6.238 -4.090 63 2HG1 ILE 9 1HG1 ILE 9 -5.727 4.738 -4.705 64 1HG2 ILE 9 1HG2 ILE 9 -5.777 2.650 -2.819 65 2HG2 ILE 9 2HG2 ILE 9 -7.458 3.147 -2.606 66 3HG2 ILE 9 3HG2 ILE 9 -6.360 3.135 -1.227 67 1HD1 ILE 9 1HD1 ILE 9 -7.961 4.909 -5.482 68 2HD1 ILE 9 2HD1 ILE 9 -8.565 5.247 -3.863 69 3HD1 ILE 9 3HD1 ILE 9 -7.923 3.652 -4.246 70 H GLY 10 H GLY 10 -5.199 6.239 0.427 71 1HA GLY 10 2HA GLY 10 -4.035 8.698 -0.680 72 2HA GLY 10 1HA GLY 10 -4.013 8.218 1.022 73 H SER 11 H SER 11 -1.671 8.861 -0.732 74 HA SER 11 HA SER 11 -0.196 6.463 -0.218 75 1HB SER 11 2HB SER 11 -0.579 5.521 -2.225 76 2HB SER 11 1HB SER 11 -1.285 7.000 -2.856 77 HG SER 11 HG SER 11 0.548 6.559 -4.037 78 H ARG 12 H ARG 12 1.374 7.432 0.902 79 HA ARG 12 HA ARG 12 3.331 8.968 -0.549 80 1HB ARG 12 2HB ARG 12 3.365 10.848 1.076 81 2HB ARG 12 1HB ARG 12 1.890 10.792 0.122 82 1HG ARG 12 2HG ARG 12 0.867 9.538 2.095 83 2HG ARG 12 1HG ARG 12 2.281 10.076 3.004 84 1HD ARG 12 2HD ARG 12 1.741 12.392 2.526 85 2HD ARG 12 1HD ARG 12 0.369 11.890 1.539 86 HE ARG 12 HE ARG 12 0.040 10.798 4.085 87 1HH1 ARG 12 1HH1 ARG 12 0.109 13.922 2.548 88 2HH1 ARG 12 2HH1 ARG 12 -0.958 14.656 3.699 89 1HH2 ARG 12 1HH2 ARG 12 -1.364 11.754 5.608 90 2HH2 ARG 12 2HH2 ARG 12 -1.794 13.423 5.439 91 H THR 13 H THR 13 4.995 7.534 -0.031 92 HA THR 13 HA THR 13 5.275 6.979 2.838 93 HB THR 13 HB THR 13 6.608 5.198 0.886 94 HG1 THR 13 1HG THR 13 4.761 3.932 0.792 95 1HG2 THR 13 1HG2 THR 13 7.137 4.995 3.255 96 2HG2 THR 13 2HG2 THR 13 6.292 3.564 2.664 97 3HG2 THR 13 3HG2 THR 13 5.424 4.771 3.613 98 H ALA 14 H ALA 14 7.712 6.521 0.292 99 HA ALA 14 HA ALA 14 9.357 8.564 1.579 100 1HB ALA 14 1HB ALA 14 10.300 5.712 1.340 101 2HB ALA 14 2HB ALA 14 9.840 6.523 2.837 102 3HB ALA 14 3HB ALA 14 11.247 7.079 1.929 103 H GLY 15 H GLY 15 9.513 5.934 -0.850 104 1HA GLY 15 2HA GLY 15 9.639 6.671 -3.207 105 2HA GLY 15 1HA GLY 15 10.723 7.944 -2.667 106 H GLU 16 H GLU 16 12.309 6.317 -0.913 107 HA GLU 16 HA GLU 16 14.244 5.384 -2.704 108 1HB GLU 16 2HB GLU 16 14.873 5.958 -0.451 109 2HB GLU 16 1HB GLU 16 13.784 4.749 0.216 110 1HG GLU 16 2HG GLU 16 15.153 2.976 -0.743 111 2HG GLU 16 1HG GLU 16 16.240 4.183 -1.430 112 H GLY 17 H GLY 17 11.460 3.887 -1.304 113 1HA GLY 17 2HA GLY 17 11.804 1.585 -3.056 114 2HA GLY 17 1HA GLY 17 11.683 1.258 -1.331 115 H ALA 18 H ALA 18 9.803 2.861 -0.390 116 HA ALA 18 HA ALA 18 7.435 2.244 -1.995 117 1HB ALA 18 1HB ALA 18 7.412 0.888 -0.013 118 2HB ALA 18 2HB ALA 18 6.239 2.189 0.233 119 3HB ALA 18 3HB ALA 18 7.830 2.284 0.989 120 H MET 19 H MET 19 5.816 3.858 -2.184 121 HA MET 19 HA MET 19 6.122 6.314 -0.712 122 1HB MET 19 2HB MET 19 7.371 6.089 -3.184 123 2HB MET 19 1HB MET 19 5.877 6.949 -3.539 124 1HG MET 19 2HG MET 19 6.406 8.623 -1.894 125 2HG MET 19 1HG MET 19 7.847 7.729 -1.426 126 1HE MET 19 1HE MET 19 7.296 9.795 -5.515 127 2HE MET 19 2HE MET 19 6.094 9.821 -4.223 128 3HE MET 19 3HE MET 19 6.447 8.314 -5.070 129 H GLU 20 H GLU 20 4.073 4.261 -0.949 130 HA GLU 20 HA GLU 20 1.842 6.002 -1.527 131 1HB GLU 20 2HB GLU 20 1.834 3.276 -2.726 132 2HB GLU 20 1HB GLU 20 0.798 4.621 -3.126 133 1HG GLU 20 2HG GLU 20 2.889 5.783 -3.991 134 2HG GLU 20 1HG GLU 20 3.699 4.204 -3.852 135 H TYR 21 H TYR 21 -0.335 4.294 -1.063 136 HA TYR 21 HA TYR 21 0.383 2.902 1.271 137 1HB TYR 21 2HB TYR 21 0.468 4.667 2.492 138 2HB TYR 21 1HB TYR 21 -0.483 5.622 1.409 139 HD1 TYR 21 1HD TYR 21 -2.020 6.763 2.885 140 HD2 TYR 21 2HD TYR 21 -1.434 2.547 3.213 141 HE1 TYR 21 1HE TYR 21 -3.918 6.608 4.441 142 HE2 TYR 21 2HE TYR 21 -3.301 2.402 4.782 143 HH TYR 21 HH TYR 21 -5.516 4.936 5.259 144 H LEU 22 H LEU 22 -2.543 4.351 0.142 145 HA LEU 22 HA LEU 22 -3.913 2.231 1.501 146 1HB LEU 22 2HB LEU 22 -4.560 4.705 1.427 147 2HB LEU 22 1HB LEU 22 -5.280 4.307 -0.113 148 HG LEU 22 HG LEU 22 -6.838 2.798 0.910 149 1HD1 LEU 22 1HD1 LEU 22 -5.447 1.761 2.569 150 2HD1 LEU 22 2HD1 LEU 22 -6.842 2.473 3.377 151 3HD1 LEU 22 3HD1 LEU 22 -5.279 3.284 3.441 152 1HD2 LEU 22 1HD2 LEU 22 -7.879 4.362 2.658 153 2HD2 LEU 22 2HD2 LEU 22 -7.693 4.970 1.015 154 3HD2 LEU 22 3HD2 LEU 22 -6.553 5.457 2.268 155 H ILE 23 H ILE 23 -5.608 1.061 0.747 156 HA ILE 23 HA ILE 23 -5.326 -0.934 -0.696 157 HB ILE 23 HB ILE 23 -7.808 0.619 -1.300 158 1HG1 ILE 23 2HG1 ILE 23 -8.386 -1.189 0.682 159 2HG1 ILE 23 1HG1 ILE 23 -6.776 -0.654 1.150 160 1HG2 ILE 23 1HG2 ILE 23 -6.893 -2.212 -1.553 161 2HG2 ILE 23 2HG2 ILE 23 -7.795 -1.226 -2.698 162 3HG2 ILE 23 3HG2 ILE 23 -8.588 -1.867 -1.266 163 1HD1 ILE 23 1HD1 ILE 23 -9.251 0.628 1.569 164 2HD1 ILE 23 2HD1 ILE 23 -8.308 1.629 0.467 165 3HD1 ILE 23 3HD1 ILE 23 -7.638 1.168 2.031 166 H GLU 24 H GLU 24 -7.248 0.577 -3.117 167 HA GLU 24 HA GLU 24 -6.868 0.791 -5.357 168 1HB GLU 24 2HB GLU 24 -4.658 1.973 -4.257 169 2HB GLU 24 1HB GLU 24 -3.918 0.671 -5.176 170 1HG GLU 24 2HG GLU 24 -5.003 1.457 -7.200 171 2HG GLU 24 1HG GLU 24 -5.801 2.737 -6.288 172 H TRP 25 H TRP 25 -4.156 -1.075 -4.035 173 HA TRP 25 HA TRP 25 -4.091 -3.120 -5.862 174 1HB TRP 25 2HB TRP 25 -3.098 -4.419 -3.842 175 2HB TRP 25 1HB TRP 25 -2.256 -3.007 -4.446 176 HD1 TRP 25 HD TRP 25 -4.834 -3.724 -1.536 177 HE1 TRP 25 1HE TRP 25 -4.022 -2.362 0.519 178 HE3 TRP 25 3HE TRP 25 -0.856 -1.227 -3.608 179 HZ2 TRP 25 2HZ TRP 25 -2.048 -0.618 1.161 180 HZ3 TRP 25 3HZ TRP 25 0.419 0.295 -2.134 181 HH2 TRP 25 HH TRP 25 -0.168 0.642 0.150 182 H LYS 26 H LYS 26 -4.368 -5.531 -4.723 183 HA LYS 26 HA LYS 26 -7.231 -5.699 -4.061 184 1HB LYS 26 2HB LYS 26 -5.509 -7.627 -5.633 185 2HB LYS 26 1HB LYS 26 -7.158 -7.964 -5.124 186 1HG LYS 26 2HG LYS 26 -7.340 -7.291 -7.351 187 2HG LYS 26 1HG LYS 26 -7.812 -5.871 -6.416 188 1HD LYS 26 2HD LYS 26 -5.619 -4.894 -6.733 189 2HD LYS 26 1HD LYS 26 -5.064 -6.345 -7.568 190 1HE LYS 26 2HE LYS 26 -5.596 -4.633 -9.184 191 2HE LYS 26 1HE LYS 26 -6.761 -5.949 -9.313 192 1HZ LYS 26 1HZ LYS 26 -8.309 -4.625 -7.976 193 2HZ LYS 26 2HZ LYS 26 -7.881 -3.834 -9.409 194 3HZ LYS 26 3HZ LYS 26 -7.195 -3.351 -7.940 195 H ASP 27 H ASP 27 -5.812 -5.288 -1.950 196 HA ASP 27 HA ASP 27 -4.894 -6.076 -0.002 197 1HB ASP 27 2HB ASP 27 -6.272 -7.777 1.067 198 2HB ASP 27 1HB ASP 27 -7.270 -6.609 0.211 199 H GLY 28 H GLY 28 -3.457 -7.003 -2.329 200 1HA GLY 28 2HA GLY 28 -2.852 -9.680 -2.425 201 2HA GLY 28 1HA GLY 28 -1.675 -8.418 -2.723 202 H HIS 29 H HIS 29 -1.096 -7.298 -0.363 203 HA HIS 29 HA HIS 29 -0.568 -9.537 1.448 204 1HB HIS 29 2HB HIS 29 1.464 -9.110 0.059 205 2HB HIS 29 1HB HIS 29 1.525 -7.458 0.682 206 HD1 HIS 29 1HD HIS 29 2.571 -7.117 2.947 207 HD2 HIS 29 2HD HIS 29 2.027 -11.132 2.022 208 HE1 HIS 29 1HE HIS 29 3.789 -8.391 4.739 209 HE2 HIS 29 2HE HIS 29 3.453 -10.819 4.157 210 H SER 30 H SER 30 -2.022 -8.877 2.955 211 HA SER 30 HA SER 30 -2.987 -7.575 4.597 212 1HB SER 30 2HB SER 30 -0.839 -8.392 5.552 213 2HB SER 30 1HB SER 30 -0.076 -6.880 5.019 214 HG SER 30 HG SER 30 -1.532 -7.364 7.238 215 HA PRO 31 HA PRO 31 -3.578 -3.448 2.480 216 1HB PRO 31 2HB PRO 31 -4.900 -2.921 5.049 217 2HB PRO 31 1HB PRO 31 -5.576 -2.869 3.420 218 1HG PRO 31 2HG PRO 31 -5.699 -5.013 5.384 219 2HG PRO 31 1HG PRO 31 -6.580 -4.849 3.861 220 1HD PRO 31 2HD PRO 31 -4.686 -6.745 4.253 221 2HD PRO 31 1HD PRO 31 -4.983 -6.016 2.662 222 H SER 32 H SER 32 -1.863 -2.123 2.578 223 HA SER 32 HA SER 32 -0.646 -1.618 5.217 224 1HB SER 32 2HB SER 32 0.541 -3.443 3.921 225 2HB SER 32 1HB SER 32 0.942 -2.209 2.713 226 HG SER 32 HG SER 32 1.629 -2.090 5.473 227 H TRP 33 H TRP 33 1.509 -0.191 4.434 228 HA TRP 33 HA TRP 33 0.455 2.073 2.852 229 1HB TRP 33 2HB TRP 33 0.779 2.540 5.340 230 2HB TRP 33 1HB TRP 33 2.480 2.145 5.141 231 HD1 TRP 33 HD TRP 33 3.730 3.788 3.141 232 HE1 TRP 33 1HE TRP 33 3.470 6.327 2.869 233 HE3 TRP 33 3HE TRP 33 -0.582 4.492 5.826 234 HZ2 TRP 33 2HZ TRP 33 1.683 8.362 3.663 235 HZ3 TRP 33 3HZ TRP 33 -1.493 6.775 6.005 236 HH2 TRP 33 HH TRP 33 -0.381 8.668 4.918 237 H VAL 34 H VAL 34 1.279 1.302 0.973 238 HA VAL 34 HA VAL 34 4.075 1.643 0.549 239 HB VAL 34 HB VAL 34 3.017 -1.010 1.020 240 1HG1 VAL 34 1HG1 VAL 34 3.789 -2.278 -0.722 241 2HG1 VAL 34 2HG1 VAL 34 4.576 -0.952 -1.518 242 3HG1 VAL 34 3HG1 VAL 34 2.818 -1.028 -1.474 243 1HG2 VAL 34 1HG2 VAL 34 5.184 0.443 1.652 244 2HG2 VAL 34 2HG2 VAL 34 5.855 -0.613 0.415 245 3HG2 VAL 34 3HG2 VAL 34 5.072 -1.301 1.836 246 HA PRO 35 HA PRO 35 3.075 2.476 -3.726 247 1HB PRO 35 2HB PRO 35 5.013 1.180 -5.041 248 2HB PRO 35 1HB PRO 35 5.328 2.635 -4.071 249 1HG PRO 35 2HG PRO 35 5.477 -0.251 -3.215 250 2HG PRO 35 1HG PRO 35 6.772 0.973 -3.160 251 1HD PRO 35 2HD PRO 35 5.409 0.578 -0.995 252 2HD PRO 35 1HD PRO 35 5.566 2.237 -1.546 253 H SER 36 H SER 36 1.193 1.595 -4.383 254 HA SER 36 HA SER 36 -0.255 0.064 -5.318 255 1HB SER 36 2HB SER 36 0.819 0.962 -7.272 256 2HB SER 36 1HB SER 36 2.215 -0.098 -7.055 257 HG SER 36 HG SER 36 0.889 -0.987 -8.617 258 H SER 37 H SER 37 1.363 -1.076 -3.171 259 HA SER 37 HA SER 37 0.797 -3.809 -3.679 260 1HB SER 37 2HB SER 37 3.706 -3.326 -3.128 261 2HB SER 37 1HB SER 37 2.925 -4.735 -3.837 262 HG SER 37 HG SER 37 4.086 -2.785 -5.122 263 H TYR 38 H TYR 38 3.153 -4.267 -1.603 264 HA TYR 38 HA TYR 38 2.425 -3.022 0.809 265 1HB TYR 38 2HB TYR 38 1.593 -5.658 1.371 266 2HB TYR 38 1HB TYR 38 0.640 -4.193 1.496 267 HD1 TYR 38 1HD TYR 38 -1.395 -4.353 0.518 268 HD2 TYR 38 2HD TYR 38 1.889 -6.340 -1.302 269 HE1 TYR 38 1HE TYR 38 -2.900 -5.200 -1.250 270 HE2 TYR 38 2HE TYR 38 0.397 -7.178 -3.084 271 HH TYR 38 HH TYR 38 -3.038 -6.330 -3.186 272 H ILE 39 H ILE 39 4.468 -2.970 1.274 273 HA ILE 39 HA ILE 39 5.981 -5.458 1.366 274 HB ILE 39 HB ILE 39 7.349 -4.740 -0.239 275 1HG1 ILE 39 2HG1 ILE 39 8.758 -3.658 1.495 276 2HG1 ILE 39 1HG1 ILE 39 8.833 -2.844 -0.052 277 1HG2 ILE 39 1HG2 ILE 39 5.561 -3.721 -1.308 278 2HG2 ILE 39 2HG2 ILE 39 6.882 -2.541 -1.391 279 3HG2 ILE 39 3HG2 ILE 39 5.596 -2.351 -0.208 280 1HD1 ILE 39 1HD1 ILE 39 6.911 -1.843 1.981 281 2HD1 ILE 39 2HD1 ILE 39 7.756 -0.981 0.704 282 3HD1 ILE 39 3HD1 ILE 39 8.624 -1.481 2.153 283 H ALA 40 H ALA 40 4.472 -4.202 3.389 284 HA ALA 40 HA ALA 40 6.023 -2.584 5.103 285 1HB ALA 40 1HB ALA 40 3.704 -4.406 5.649 286 2HB ALA 40 2HB ALA 40 3.695 -2.654 5.446 287 3HB ALA 40 3HB ALA 40 4.437 -3.371 6.873 288 H ALA 41 H ALA 41 8.059 -3.351 5.348 289 HA ALA 41 HA ALA 41 8.788 -4.860 7.473 290 1HB ALA 41 1HB ALA 41 8.415 -6.620 5.060 291 2HB ALA 41 2HB ALA 41 7.798 -6.857 6.696 292 3HB ALA 41 3HB ALA 41 9.521 -7.036 6.369 293 H ASP 42 H ASP 42 9.427 -3.994 4.159 294 HA ASP 42 HA ASP 42 12.264 -3.702 4.856 295 1HB ASP 42 2HB ASP 42 12.052 -5.527 3.292 296 2HB ASP 42 1HB ASP 42 11.088 -4.537 2.202 297 H VAL 43 H VAL 43 10.745 -2.674 1.838 298 HA VAL 43 HA VAL 43 10.240 -0.037 2.372 299 HB VAL 43 HB VAL 43 12.594 0.162 3.073 300 1HG1 VAL 43 1HG1 VAL 43 14.313 0.151 1.202 301 2HG1 VAL 43 2HG1 VAL 43 13.121 -0.746 0.261 302 3HG1 VAL 43 3HG1 VAL 43 13.742 -1.417 1.770 303 1HG2 VAL 43 1HG2 VAL 43 13.130 2.148 1.775 304 2HG2 VAL 43 2HG2 VAL 43 11.408 2.097 2.155 305 3HG2 VAL 43 3HG2 VAL 43 11.967 1.668 0.539 306 H VAL 44 H VAL 44 11.514 -2.350 0.044 307 HA VAL 44 HA VAL 44 11.359 -0.888 -2.301 308 HB VAL 44 HB VAL 44 11.249 -3.002 -3.476 309 1HG1 VAL 44 1HG1 VAL 44 13.160 -4.117 -2.523 310 2HG1 VAL 44 2HG1 VAL 44 12.891 -3.313 -0.978 311 3HG1 VAL 44 3HG1 VAL 44 13.358 -2.369 -2.391 312 1HG2 VAL 44 1HG2 VAL 44 9.634 -4.332 -2.534 313 2HG2 VAL 44 2HG2 VAL 44 10.157 -3.984 -0.888 314 3HG2 VAL 44 3HG2 VAL 44 11.089 -5.092 -1.892 315 H SER 45 H SER 45 9.622 -2.104 -4.067 316 HA SER 45 HA SER 45 7.083 -1.021 -3.124 317 1HB SER 45 2HB SER 45 7.857 0.233 -4.983 318 2HB SER 45 1HB SER 45 8.246 -1.226 -5.894 319 HG SER 45 HG SER 45 5.602 -0.824 -5.068 320 H GLU 46 H GLU 46 7.802 -3.754 -2.547 321 HA GLU 46 HA GLU 46 5.399 -5.026 -3.203 322 1HB GLU 46 2HB GLU 46 6.435 -5.101 -5.476 323 2HB GLU 46 1HB GLU 46 7.746 -6.061 -4.807 324 1HG GLU 46 2HG GLU 46 6.126 -7.795 -4.171 325 2HG GLU 46 1HG GLU 46 4.841 -6.840 -4.908 326 H TYR 47 H TYR 47 5.171 -7.041 -2.190 327 HA TYR 47 HA TYR 47 6.895 -7.434 0.034 328 1HB TYR 47 2HB TYR 47 4.405 -7.932 -0.048 329 2HB TYR 47 1HB TYR 47 4.817 -9.384 -0.957 330 HD1 TYR 47 1HD TYR 47 6.475 -7.801 1.989 331 HD2 TYR 47 2HD TYR 47 4.422 -11.184 0.428 332 HE1 TYR 47 1HE TYR 47 6.871 -9.004 4.098 333 HE2 TYR 47 2HE TYR 47 4.814 -12.400 2.532 334 HH TYR 47 HH TYR 47 5.913 -10.866 5.362 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -6.279 -2.023 11.706 2 2H GLY 1 2HT GLY 1 -5.639 -0.497 12.058 3 3H GLY 1 3HT GLY 1 -5.274 -1.247 10.587 4 1HA GLY 1 1HA GLY 1 -7.956 -0.301 11.439 5 2HA GLY 1 2HA GLY 1 -6.913 0.500 10.274 6 H SER 2 H SER 2 -9.338 -0.026 9.382 7 HA SER 2 HA SER 2 -9.645 -2.618 8.231 8 1HB SER 2 2HB SER 2 -11.543 -1.625 7.021 9 2HB SER 2 1HB SER 2 -11.581 -1.185 8.729 10 HG SER 2 HG SER 2 -11.399 0.408 6.550 11 H GLY 3 H GLY 3 -10.241 -2.479 5.669 12 1HA GLY 3 2HA GLY 3 -9.095 -1.034 3.770 13 2HA GLY 3 1HA GLY 3 -7.682 -1.805 4.455 14 H GLU 4 H GLU 4 -7.329 -2.764 2.328 15 HA GLU 4 HA GLU 4 -7.410 -4.461 0.847 16 1HB GLU 4 2HB GLU 4 -7.169 -6.296 2.028 17 2HB GLU 4 1HB GLU 4 -7.963 -5.544 3.397 18 1HG GLU 4 2HG GLU 4 -9.334 -7.128 1.227 19 2HG GLU 4 1HG GLU 4 -8.951 -7.701 2.844 20 H VAL 5 H VAL 5 -9.975 -2.643 1.378 21 HA VAL 5 HA VAL 5 -12.009 -4.147 0.007 22 HB VAL 5 HB VAL 5 -11.991 -1.186 0.605 23 1HG1 VAL 5 1HG1 VAL 5 -13.754 -1.811 -0.875 24 2HG1 VAL 5 2HG1 VAL 5 -14.479 -1.610 0.721 25 3HG1 VAL 5 3HG1 VAL 5 -14.161 -3.227 0.092 26 1HG2 VAL 5 1HG2 VAL 5 -11.488 -2.429 2.663 27 2HG2 VAL 5 2HG2 VAL 5 -12.917 -3.432 2.412 28 3HG2 VAL 5 3HG2 VAL 5 -13.095 -1.705 2.726 29 H ASN 6 H ASN 6 -10.101 -1.253 -0.551 30 HA ASN 6 HA ASN 6 -9.050 -0.511 -2.477 31 1HB ASN 6 2HB ASN 6 -9.279 -2.696 -3.604 32 2HB ASN 6 1HB ASN 6 -10.949 -2.305 -4.018 33 1HD2 ASN 6 1HD2 ASN 6 -8.151 -2.648 -5.396 34 2HD2 ASN 6 2HD2 ASN 6 -8.191 -1.396 -6.588 35 H LYS 7 H LYS 7 -10.220 1.214 -1.357 36 HA LYS 7 HA LYS 7 -12.121 2.508 -3.123 37 1HB LYS 7 2HB LYS 7 -13.746 2.789 -1.333 38 2HB LYS 7 1HB LYS 7 -13.392 1.074 -1.512 39 1HG LYS 7 2HG LYS 7 -11.605 1.492 0.331 40 2HG LYS 7 1HG LYS 7 -12.555 2.947 0.657 41 1HD LYS 7 2HD LYS 7 -14.551 1.620 1.025 42 2HD LYS 7 1HD LYS 7 -13.665 0.150 0.625 43 1HE LYS 7 2HE LYS 7 -13.935 0.493 3.062 44 2HE LYS 7 1HE LYS 7 -12.249 0.414 2.552 45 1HZ LYS 7 1HZ LYS 7 -13.706 2.964 2.961 46 2HZ LYS 7 2HZ LYS 7 -12.042 2.752 2.743 47 3HZ LYS 7 3HZ LYS 7 -12.783 2.217 4.166 48 H ILE 8 H ILE 8 -12.727 4.287 -0.719 49 HA ILE 8 HA ILE 8 -11.063 6.389 -1.083 50 HB ILE 8 HB ILE 8 -13.203 6.233 0.189 51 1HG1 ILE 8 2HG1 ILE 8 -11.813 8.288 0.114 52 2HG1 ILE 8 1HG1 ILE 8 -12.726 8.145 1.613 53 1HG2 ILE 8 1HG2 ILE 8 -13.408 5.373 2.256 54 2HG2 ILE 8 2HG2 ILE 8 -11.788 5.872 2.740 55 3HG2 ILE 8 3HG2 ILE 8 -12.005 4.426 1.754 56 1HD1 ILE 8 1HD1 ILE 8 -10.621 7.168 2.628 57 2HD1 ILE 8 2HD1 ILE 8 -10.593 8.885 2.230 58 3HD1 ILE 8 3HD1 ILE 8 -9.789 7.725 1.175 59 H ILE 9 H ILE 9 -8.869 6.172 -1.095 60 HA ILE 9 HA ILE 9 -7.635 5.759 1.457 61 HB ILE 9 HB ILE 9 -7.973 3.493 0.567 62 1HG1 ILE 9 2HG1 ILE 9 -5.847 2.667 1.241 63 2HG1 ILE 9 1HG1 ILE 9 -5.061 4.179 0.866 64 1HG2 ILE 9 1HG2 ILE 9 -7.748 3.527 -1.684 65 2HG2 ILE 9 2HG2 ILE 9 -6.240 2.787 -1.173 66 3HG2 ILE 9 3HG2 ILE 9 -6.270 4.487 -1.641 67 1HD1 ILE 9 1HD1 ILE 9 -7.265 4.234 2.833 68 2HD1 ILE 9 2HD1 ILE 9 -5.766 5.161 2.787 69 3HD1 ILE 9 3HD1 ILE 9 -5.750 3.481 3.322 70 H GLY 10 H GLY 10 -5.072 5.929 1.161 71 1HA GLY 10 2HA GLY 10 -4.583 8.076 -0.770 72 2HA GLY 10 1HA GLY 10 -4.190 8.304 0.927 73 H SER 11 H SER 11 -2.161 8.657 -0.776 74 HA SER 11 HA SER 11 -0.479 6.382 -0.212 75 1HB SER 11 2HB SER 11 0.287 6.504 -2.713 76 2HB SER 11 1HB SER 11 -1.162 5.588 -2.301 77 HG SER 11 HG SER 11 -1.117 7.329 -4.089 78 H ARG 12 H ARG 12 1.034 7.485 0.941 79 HA ARG 12 HA ARG 12 2.838 9.179 -0.550 80 1HB ARG 12 2HB ARG 12 0.949 10.307 1.415 81 2HB ARG 12 1HB ARG 12 2.621 10.823 1.599 82 1HG ARG 12 2HG ARG 12 1.021 11.036 -0.944 83 2HG ARG 12 1HG ARG 12 1.289 12.349 0.202 84 1HD ARG 12 2HD ARG 12 3.705 12.164 -0.159 85 2HD ARG 12 1HD ARG 12 3.431 10.862 -1.315 86 HE ARG 12 HE ARG 12 1.947 13.002 -2.217 87 1HH1 ARG 12 1HH1 ARG 12 5.298 12.333 -1.553 88 2HH1 ARG 12 2HH1 ARG 12 5.891 13.424 -2.761 89 1HH2 ARG 12 1HH2 ARG 12 2.717 14.443 -3.813 90 2HH2 ARG 12 2HH2 ARG 12 4.423 14.627 -4.043 91 H THR 13 H THR 13 4.675 7.911 -0.060 92 HA THR 13 HA THR 13 5.203 7.699 2.817 93 HB THR 13 HB THR 13 6.429 5.594 1.180 94 HG1 THR 13 1HG THR 13 4.575 4.445 0.955 95 1HG2 THR 13 1HG2 THR 13 6.846 5.637 3.532 96 2HG2 THR 13 2HG2 THR 13 5.792 4.266 3.184 97 3HG2 THR 13 3HG2 THR 13 5.120 5.741 3.878 98 H ALA 14 H ALA 14 7.391 6.751 0.172 99 HA ALA 14 HA ALA 14 9.116 9.011 0.831 100 1HB ALA 14 1HB ALA 14 11.062 7.601 1.203 101 2HB ALA 14 2HB ALA 14 10.067 6.159 1.012 102 3HB ALA 14 3HB ALA 14 9.792 7.246 2.373 103 H GLY 15 H GLY 15 9.244 5.945 -1.025 104 1HA GLY 15 2HA GLY 15 9.012 6.248 -3.507 105 2HA GLY 15 1HA GLY 15 10.152 7.570 -3.331 106 H GLU 16 H GLU 16 12.043 6.502 -1.672 107 HA GLU 16 HA GLU 16 13.643 5.020 -3.421 108 1HB GLU 16 2HB GLU 16 14.670 6.310 -1.690 109 2HB GLU 16 1HB GLU 16 13.788 5.447 -0.435 110 1HG GLU 16 2HG GLU 16 15.040 3.405 -0.993 111 2HG GLU 16 1HG GLU 16 15.940 4.308 -2.211 112 H GLY 17 H GLY 17 11.240 4.041 -1.141 113 1HA GLY 17 2HA GLY 17 11.634 1.251 -1.940 114 2HA GLY 17 1HA GLY 17 11.555 1.637 -0.224 115 H ALA 18 H ALA 18 9.618 3.388 0.069 116 HA ALA 18 HA ALA 18 7.274 2.277 -1.261 117 1HB ALA 18 1HB ALA 18 6.009 2.402 0.843 118 2HB ALA 18 2HB ALA 18 7.493 2.875 1.675 119 3HB ALA 18 3HB ALA 18 7.361 1.268 0.950 120 H MET 19 H MET 19 5.488 3.775 -1.498 121 HA MET 19 HA MET 19 5.802 6.473 -0.574 122 1HB MET 19 2HB MET 19 7.250 5.924 -2.803 123 2HB MET 19 1HB MET 19 5.743 6.480 -3.514 124 1HG MET 19 2HG MET 19 7.087 8.058 -1.371 125 2HG MET 19 1HG MET 19 7.621 8.175 -3.043 126 1HE MET 19 1HE MET 19 5.180 7.979 -4.796 127 2HE MET 19 2HE MET 19 6.256 9.365 -4.963 128 3HE MET 19 3HE MET 19 4.513 9.609 -4.861 129 H GLU 20 H GLU 20 3.768 4.276 -0.801 130 HA GLU 20 HA GLU 20 1.577 6.040 -1.452 131 1HB GLU 20 2HB GLU 20 1.499 3.306 -2.624 132 2HB GLU 20 1HB GLU 20 0.540 4.679 -3.061 133 1HG GLU 20 2HG GLU 20 3.498 4.509 -3.548 134 2HG GLU 20 1HG GLU 20 2.296 3.956 -4.713 135 H TYR 21 H TYR 21 -0.578 4.580 -0.943 136 HA TYR 21 HA TYR 21 -0.108 2.718 1.166 137 1HB TYR 21 2HB TYR 21 0.109 4.358 2.649 138 2HB TYR 21 1HB TYR 21 -0.683 5.531 1.645 139 HD1 TYR 21 1HD TYR 21 -2.521 6.564 2.728 140 HD2 TYR 21 2HD TYR 21 -1.657 2.454 3.456 141 HE1 TYR 21 1HE TYR 21 -4.511 6.389 4.164 142 HE2 TYR 21 2HE TYR 21 -3.606 2.285 4.909 143 HH TYR 21 HH TYR 21 -5.047 3.775 6.255 144 H LEU 22 H LEU 22 -1.842 3.310 -1.387 145 HA LEU 22 HA LEU 22 -4.348 2.831 -0.246 146 1HB LEU 22 2HB LEU 22 -5.085 2.810 -2.701 147 2HB LEU 22 1HB LEU 22 -4.447 4.301 -2.034 148 HG LEU 22 HG LEU 22 -2.351 4.001 -3.143 149 1HD1 LEU 22 1HD1 LEU 22 -1.955 1.679 -2.961 150 2HD1 LEU 22 2HD1 LEU 22 -2.049 2.032 -4.687 151 3HD1 LEU 22 3HD1 LEU 22 -3.417 1.286 -3.864 152 1HD2 LEU 22 1HD2 LEU 22 -4.134 4.985 -4.467 153 2HD2 LEU 22 2HD2 LEU 22 -4.643 3.383 -5.003 154 3HD2 LEU 22 3HD2 LEU 22 -3.070 4.016 -5.488 155 H ILE 23 H ILE 23 -5.583 1.412 -0.064 156 HA ILE 23 HA ILE 23 -4.944 -1.285 -0.157 157 HB ILE 23 HB ILE 23 -7.354 0.404 0.326 158 1HG1 ILE 23 2HG1 ILE 23 -7.207 -0.848 2.537 159 2HG1 ILE 23 1HG1 ILE 23 -5.669 -1.473 1.959 160 1HG2 ILE 23 1HG2 ILE 23 -7.466 -2.586 0.368 161 2HG2 ILE 23 2HG2 ILE 23 -8.203 -1.560 -0.860 162 3HG2 ILE 23 3HG2 ILE 23 -8.740 -1.454 0.811 163 1HD1 ILE 23 1HD1 ILE 23 -6.405 1.371 2.544 164 2HD1 ILE 23 2HD1 ILE 23 -4.928 0.908 1.698 165 3HD1 ILE 23 3HD1 ILE 23 -5.205 0.367 3.353 166 H GLU 24 H GLU 24 -5.764 0.830 -2.637 167 HA GLU 24 HA GLU 24 -7.385 -0.411 -4.355 168 1HB GLU 24 2HB GLU 24 -6.175 1.790 -4.573 169 2HB GLU 24 1HB GLU 24 -4.790 0.878 -5.157 170 1HG GLU 24 2HG GLU 24 -6.135 0.025 -7.018 171 2HG GLU 24 1HG GLU 24 -7.511 0.965 -6.443 172 H TRP 25 H TRP 25 -4.401 -1.724 -3.249 173 HA TRP 25 HA TRP 25 -3.787 -3.321 -5.493 174 1HB TRP 25 2HB TRP 25 -2.600 -4.730 -3.557 175 2HB TRP 25 1HB TRP 25 -1.944 -3.230 -4.187 176 HD1 TRP 25 HD TRP 25 -4.224 -4.308 -1.166 177 HE1 TRP 25 1HE TRP 25 -3.580 -2.767 0.840 178 HE3 TRP 25 3HE TRP 25 -0.693 -1.280 -3.386 179 HZ2 TRP 25 2HZ TRP 25 -2.016 -0.636 1.333 180 HZ3 TRP 25 3HZ TRP 25 0.347 0.462 -1.971 181 HH2 TRP 25 HH TRP 25 -0.306 0.803 0.310 182 H LYS 26 H LYS 26 -6.640 -3.629 -4.605 183 HA LYS 26 HA LYS 26 -8.201 -5.241 -4.338 184 1HB LYS 26 2HB LYS 26 -6.170 -6.965 -5.753 185 2HB LYS 26 1HB LYS 26 -7.917 -7.166 -5.748 186 1HG LYS 26 2HG LYS 26 -8.216 -5.190 -7.057 187 2HG LYS 26 1HG LYS 26 -6.507 -4.776 -6.912 188 1HD LYS 26 2HD LYS 26 -5.954 -6.874 -8.125 189 2HD LYS 26 1HD LYS 26 -7.682 -7.151 -8.358 190 1HE LYS 26 2HE LYS 26 -6.151 -4.740 -9.331 191 2HE LYS 26 1HE LYS 26 -6.612 -6.122 -10.325 192 1HZ LYS 26 1HZ LYS 26 -8.148 -4.253 -10.563 193 2HZ LYS 26 2HZ LYS 26 -8.512 -4.328 -8.912 194 3HZ LYS 26 3HZ LYS 26 -8.926 -5.616 -9.928 195 H ASP 27 H ASP 27 -6.394 -4.990 -2.100 196 HA ASP 27 HA ASP 27 -5.940 -6.080 -0.147 197 1HB ASP 27 2HB ASP 27 -8.271 -6.865 -0.353 198 2HB ASP 27 1HB ASP 27 -7.719 -8.231 -1.313 199 H GLY 28 H GLY 28 -4.360 -6.514 -2.655 200 1HA GLY 28 2HA GLY 28 -3.437 -9.060 -3.044 201 2HA GLY 28 1HA GLY 28 -2.397 -7.643 -3.116 202 H HIS 29 H HIS 29 -1.815 -6.782 -0.839 203 HA HIS 29 HA HIS 29 -1.419 -9.007 1.004 204 1HB HIS 29 2HB HIS 29 0.950 -7.246 0.855 205 2HB HIS 29 1HB HIS 29 0.835 -8.988 1.034 206 HD1 HIS 29 1HD HIS 29 0.998 -6.320 -1.601 207 HD2 HIS 29 2HD HIS 29 1.088 -10.463 -1.294 208 HE1 HIS 29 1HE HIS 29 1.707 -7.148 -3.869 209 HE2 HIS 29 2HE HIS 29 1.748 -9.659 -3.661 210 H SER 30 H SER 30 -2.750 -8.263 2.521 211 HA SER 30 HA SER 30 -3.637 -6.910 4.155 212 1HB SER 30 2HB SER 30 -0.696 -6.463 4.589 213 2HB SER 30 1HB SER 30 -1.973 -6.321 5.808 214 HG SER 30 HG SER 30 -0.752 -8.568 4.789 215 HA PRO 31 HA PRO 31 -4.165 -2.551 2.544 216 1HB PRO 31 2HB PRO 31 -5.134 -2.209 5.271 217 2HB PRO 31 1HB PRO 31 -6.024 -2.106 3.758 218 1HG PRO 31 2HG PRO 31 -5.786 -4.365 5.622 219 2HG PRO 31 1HG PRO 31 -7.014 -4.064 4.389 220 1HD PRO 31 2HD PRO 31 -5.232 -6.019 4.083 221 2HD PRO 31 1HD PRO 31 -5.722 -5.030 2.687 222 H SER 32 H SER 32 -2.394 -1.309 2.622 223 HA SER 32 HA SER 32 -1.009 -0.969 5.125 224 1HB SER 32 2HB SER 32 -0.096 -3.021 4.151 225 2HB SER 32 1HB SER 32 0.450 -2.088 2.752 226 HG SER 32 HG SER 32 2.170 -1.763 3.921 227 H TRP 33 H TRP 33 1.080 0.392 4.761 228 HA TRP 33 HA TRP 33 0.354 2.501 2.864 229 1HB TRP 33 2HB TRP 33 0.603 2.976 5.357 230 2HB TRP 33 1HB TRP 33 2.310 2.597 5.197 231 HD1 TRP 33 HD TRP 33 3.685 4.314 3.445 232 HE1 TRP 33 1HE TRP 33 3.390 6.851 3.164 233 HE3 TRP 33 3HE TRP 33 -0.951 4.828 5.527 234 HZ2 TRP 33 2HZ TRP 33 1.424 8.822 3.738 235 HZ3 TRP 33 3HZ TRP 33 -1.971 7.065 5.612 236 HH2 TRP 33 HH TRP 33 -0.806 9.018 4.720 237 H VAL 34 H VAL 34 1.253 1.568 1.020 238 HA VAL 34 HA VAL 34 4.063 1.970 0.652 239 HB VAL 34 HB VAL 34 3.185 -0.589 1.389 240 1HG1 VAL 34 1HG1 VAL 34 3.871 -1.985 -0.547 241 2HG1 VAL 34 2HG1 VAL 34 3.698 -0.595 -1.555 242 3HG1 VAL 34 3HG1 VAL 34 2.313 -1.210 -0.680 243 1HG2 VAL 34 1HG2 VAL 34 5.387 0.717 1.559 244 2HG2 VAL 34 2HG2 VAL 34 5.795 -0.116 0.064 245 3HG2 VAL 34 3HG2 VAL 34 5.410 -1.041 1.512 246 HA PRO 35 HA PRO 35 2.631 2.330 -3.605 247 1HB PRO 35 2HB PRO 35 4.892 1.707 -4.982 248 2HB PRO 35 1HB PRO 35 4.643 3.245 -4.171 249 1HG PRO 35 2HG PRO 35 6.451 1.109 -3.504 250 2HG PRO 35 1HG PRO 35 6.356 2.734 -2.828 251 1HD PRO 35 2HD PRO 35 5.379 0.222 -1.741 252 2HD PRO 35 1HD PRO 35 5.504 1.795 -0.937 253 H SER 36 H SER 36 1.680 1.251 -5.152 254 HA SER 36 HA SER 36 1.129 -0.380 -6.633 255 1HB SER 36 2HB SER 36 3.544 -0.659 -7.021 256 2HB SER 36 1HB SER 36 3.615 -1.815 -5.692 257 HG SER 36 HG SER 36 2.068 -2.086 -8.056 258 H SER 37 H SER 37 2.405 -2.043 -3.676 259 HA SER 37 HA SER 37 -0.245 -3.203 -3.395 260 1HB SER 37 2HB SER 37 2.187 -4.946 -3.731 261 2HB SER 37 1HB SER 37 0.563 -5.509 -3.337 262 HG SER 37 HG SER 37 1.442 -4.255 -5.720 263 H TYR 38 H TYR 38 3.021 -3.758 -1.999 264 HA TYR 38 HA TYR 38 2.389 -2.898 0.567 265 1HB TYR 38 2HB TYR 38 0.687 -4.591 0.604 266 2HB TYR 38 1HB TYR 38 1.866 -5.820 0.125 267 HD1 TYR 38 1HD TYR 38 0.204 -4.252 2.681 268 HD2 TYR 38 2HD TYR 38 3.889 -6.103 1.817 269 HE1 TYR 38 1HE TYR 38 0.480 -4.647 5.048 270 HE2 TYR 38 2HE TYR 38 4.243 -6.539 4.217 271 HH TYR 38 HH TYR 38 1.756 -6.178 6.535 272 H ILE 39 H ILE 39 4.115 -3.237 2.005 273 HA ILE 39 HA ILE 39 6.073 -5.151 1.806 274 HB ILE 39 HB ILE 39 6.778 -4.487 -0.292 275 1HG1 ILE 39 2HG1 ILE 39 9.017 -3.730 -0.036 276 2HG1 ILE 39 1HG1 ILE 39 8.639 -2.863 1.441 277 1HG2 ILE 39 1HG2 ILE 39 6.783 -2.387 -1.170 278 2HG2 ILE 39 2HG2 ILE 39 7.037 -1.621 0.397 279 3HG2 ILE 39 3HG2 ILE 39 5.464 -2.284 -0.010 280 1HD1 ILE 39 1HD1 ILE 39 9.875 -4.876 1.928 281 2HD1 ILE 39 2HD1 ILE 39 8.672 -5.849 1.082 282 3HD1 ILE 39 3HD1 ILE 39 8.238 -5.007 2.568 283 H ALA 40 H ALA 40 5.388 -4.727 3.986 284 HA ALA 40 HA ALA 40 6.036 -2.351 5.323 285 1HB ALA 40 1HB ALA 40 5.791 -3.662 7.378 286 2HB ALA 40 2HB ALA 40 5.773 -5.140 6.414 287 3HB ALA 40 3HB ALA 40 4.479 -3.955 6.236 288 H ALA 41 H ALA 41 8.064 -1.663 4.852 289 HA ALA 41 HA ALA 41 10.178 -2.452 6.483 290 1HB ALA 41 1HB ALA 41 11.708 -3.499 4.875 291 2HB ALA 41 2HB ALA 41 10.419 -3.517 3.671 292 3HB ALA 41 3HB ALA 41 10.266 -4.478 5.142 293 H ASP 42 H ASP 42 9.144 -0.990 3.474 294 HA ASP 42 HA ASP 42 9.531 1.093 2.635 295 1HB ASP 42 2HB ASP 42 11.560 1.527 4.834 296 2HB ASP 42 1HB ASP 42 10.765 2.750 3.852 297 H VAL 43 H VAL 43 11.045 -1.394 2.079 298 HA VAL 43 HA VAL 43 13.430 -0.144 0.877 299 HB VAL 43 HB VAL 43 14.538 -2.341 0.973 300 1HG1 VAL 43 1HG1 VAL 43 14.995 -2.335 3.370 301 2HG1 VAL 43 2HG1 VAL 43 13.562 -1.345 3.647 302 3HG1 VAL 43 3HG1 VAL 43 14.922 -0.692 2.732 303 1HG2 VAL 43 1HG2 VAL 43 12.929 -3.982 1.017 304 2HG2 VAL 43 2HG2 VAL 43 11.933 -3.126 2.193 305 3HG2 VAL 43 3HG2 VAL 43 13.408 -3.939 2.714 306 H VAL 44 H VAL 44 10.453 -1.308 0.104 307 HA VAL 44 HA VAL 44 11.178 -1.626 -2.661 308 HB VAL 44 HB VAL 44 9.570 -3.952 -1.869 309 1HG1 VAL 44 1HG1 VAL 44 10.241 -3.724 -4.128 310 2HG1 VAL 44 2HG1 VAL 44 11.172 -5.059 -3.451 311 3HG1 VAL 44 3HG1 VAL 44 11.928 -3.481 -3.672 312 1HG2 VAL 44 1HG2 VAL 44 11.160 -3.941 0.012 313 2HG2 VAL 44 2HG2 VAL 44 12.498 -3.927 -1.136 314 3HG2 VAL 44 3HG2 VAL 44 11.413 -5.314 -1.064 315 H SER 45 H SER 45 9.197 -2.107 -4.002 316 HA SER 45 HA SER 45 6.877 -0.649 -2.905 317 1HB SER 45 2HB SER 45 7.905 0.318 -4.907 318 2HB SER 45 1HB SER 45 7.706 -1.208 -5.770 319 HG SER 45 HG SER 45 5.479 -0.950 -5.643 320 H GLU 46 H GLU 46 7.444 -3.620 -2.518 321 HA GLU 46 HA GLU 46 4.835 -4.581 -2.864 322 1HB GLU 46 2HB GLU 46 5.387 -4.536 -5.254 323 2HB GLU 46 1HB GLU 46 6.772 -5.579 -4.958 324 1HG GLU 46 2HG GLU 46 5.291 -7.366 -4.233 325 2HG GLU 46 1HG GLU 46 3.893 -6.323 -4.488 326 H TYR 47 H TYR 47 4.501 -6.634 -1.975 327 HA TYR 47 HA TYR 47 6.522 -7.523 -0.173 328 1HB TYR 47 2HB TYR 47 3.912 -7.573 0.091 329 2HB TYR 47 1HB TYR 47 4.039 -9.101 -0.779 330 HD1 TYR 47 1HD TYR 47 5.698 -7.375 2.095 331 HD2 TYR 47 2HD TYR 47 4.189 -11.017 0.493 332 HE1 TYR 47 1HE TYR 47 6.258 -8.523 4.195 333 HE2 TYR 47 2HE TYR 47 4.742 -12.175 2.591 334 HH TYR 47 HH TYR 47 6.354 -11.857 4.498 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -8.114 -8.625 8.749 2 2H GLY 1 2HT GLY 1 -9.379 -7.588 9.178 3 3H GLY 1 3HT GLY 1 -7.893 -7.486 9.981 4 1HA GLY 1 1HA GLY 1 -6.807 -6.776 7.938 5 2HA GLY 1 2HA GLY 1 -8.354 -6.872 7.112 6 H SER 2 H SER 2 -7.050 -4.537 6.972 7 HA SER 2 HA SER 2 -8.512 -2.803 8.853 8 1HB SER 2 2HB SER 2 -5.831 -2.265 7.551 9 2HB SER 2 1HB SER 2 -6.696 -1.158 8.619 10 HG SER 2 HG SER 2 -5.172 -3.349 9.226 11 H GLY 3 H GLY 3 -6.939 -2.728 5.648 12 1HA GLY 3 2HA GLY 3 -9.230 -1.117 4.706 13 2HA GLY 3 1HA GLY 3 -7.585 -0.849 4.153 14 H GLU 4 H GLU 4 -6.819 -1.982 2.459 15 HA GLU 4 HA GLU 4 -6.992 -3.111 0.479 16 1HB GLU 4 2HB GLU 4 -7.054 -5.461 0.718 17 2HB GLU 4 1HB GLU 4 -6.341 -4.855 2.201 18 1HG GLU 4 2HG GLU 4 -8.411 -5.174 3.387 19 2HG GLU 4 1HG GLU 4 -9.234 -5.626 1.895 20 H VAL 5 H VAL 5 -9.397 -1.631 1.303 21 HA VAL 5 HA VAL 5 -11.593 -3.275 0.358 22 HB VAL 5 HB VAL 5 -11.637 -0.383 1.215 23 1HG1 VAL 5 1HG1 VAL 5 -13.544 -0.868 -0.126 24 2HG1 VAL 5 2HG1 VAL 5 -14.072 -0.872 1.556 25 3HG1 VAL 5 3HG1 VAL 5 -13.817 -2.397 0.709 26 1HG2 VAL 5 1HG2 VAL 5 -12.625 -1.325 3.325 27 2HG2 VAL 5 2HG2 VAL 5 -10.910 -1.656 3.086 28 3HG2 VAL 5 3HG2 VAL 5 -12.103 -2.918 2.774 29 H ASN 6 H ASN 6 -9.267 -1.281 -1.049 30 HA ASN 6 HA ASN 6 -9.088 -0.210 -3.054 31 1HB ASN 6 2HB ASN 6 -9.321 -2.483 -3.876 32 2HB ASN 6 1HB ASN 6 -11.075 -2.373 -3.781 33 1HD2 ASN 6 1HD2 ASN 6 -8.957 0.176 -4.933 34 2HD2 ASN 6 2HD2 ASN 6 -9.493 0.135 -6.573 35 H LYS 7 H LYS 7 -10.237 1.676 -1.991 36 HA LYS 7 HA LYS 7 -12.664 2.313 -3.476 37 1HB LYS 7 2HB LYS 7 -13.374 3.410 -1.137 38 2HB LYS 7 1HB LYS 7 -13.826 1.778 -1.604 39 1HG LYS 7 2HG LYS 7 -12.278 0.797 -0.187 40 2HG LYS 7 1HG LYS 7 -11.286 2.254 -0.074 41 1HD LYS 7 2HD LYS 7 -14.085 2.024 1.038 42 2HD LYS 7 1HD LYS 7 -12.628 1.706 1.980 43 1HE LYS 7 2HE LYS 7 -13.239 4.306 0.580 44 2HE LYS 7 1HE LYS 7 -13.533 3.994 2.291 45 1HZ LYS 7 1HZ LYS 7 -11.432 5.160 1.890 46 2HZ LYS 7 2HZ LYS 7 -10.875 3.853 0.973 47 3HZ LYS 7 3HZ LYS 7 -11.186 3.656 2.625 48 H ILE 8 H ILE 8 -11.698 4.308 -0.764 49 HA ILE 8 HA ILE 8 -10.306 6.156 -2.557 50 HB ILE 8 HB ILE 8 -12.534 7.006 -2.599 51 1HG1 ILE 8 2HG1 ILE 8 -12.236 9.220 -1.756 52 2HG1 ILE 8 1HG1 ILE 8 -11.136 8.668 -0.499 53 1HG2 ILE 8 1HG2 ILE 8 -12.527 6.884 0.412 54 2HG2 ILE 8 2HG2 ILE 8 -13.399 5.793 -0.664 55 3HG2 ILE 8 3HG2 ILE 8 -13.831 7.501 -0.603 56 1HD1 ILE 8 1HD1 ILE 8 -10.555 8.580 -3.449 57 2HD1 ILE 8 2HD1 ILE 8 -9.446 8.172 -2.139 58 3HD1 ILE 8 3HD1 ILE 8 -10.001 9.834 -2.340 59 H ILE 9 H ILE 9 -8.365 6.193 -1.654 60 HA ILE 9 HA ILE 9 -8.083 7.219 1.023 61 HB ILE 9 HB ILE 9 -8.253 4.671 1.161 62 1HG1 ILE 9 2HG1 ILE 9 -5.686 5.550 2.382 63 2HG1 ILE 9 1HG1 ILE 9 -7.136 6.464 2.782 64 1HG2 ILE 9 1HG2 ILE 9 -5.373 4.477 0.617 65 2HG2 ILE 9 2HG2 ILE 9 -6.420 4.648 -0.794 66 3HG2 ILE 9 3HG2 ILE 9 -6.685 3.330 0.342 67 1HD1 ILE 9 1HD1 ILE 9 -8.199 4.485 3.637 68 2HD1 ILE 9 2HD1 ILE 9 -6.623 4.687 4.402 69 3HD1 ILE 9 3HD1 ILE 9 -6.837 3.492 3.125 70 H GLY 10 H GLY 10 -5.534 7.303 1.499 71 1HA GLY 10 2HA GLY 10 -4.469 8.706 -0.840 72 2HA GLY 10 1HA GLY 10 -4.042 9.048 0.827 73 H SER 11 H SER 11 -2.057 8.821 -0.884 74 HA SER 11 HA SER 11 -0.623 6.494 -0.072 75 1HB SER 11 2HB SER 11 -0.040 5.889 -2.465 76 2HB SER 11 1HB SER 11 -1.662 5.469 -1.938 77 HG SER 11 HG SER 11 -1.185 7.951 -3.171 78 H ARG 12 H ARG 12 1.018 7.555 0.797 79 HA ARG 12 HA ARG 12 2.910 8.847 -0.945 80 1HB ARG 12 2HB ARG 12 1.415 10.731 -0.453 81 2HB ARG 12 1HB ARG 12 1.598 10.438 1.270 82 1HG ARG 12 2HG ARG 12 3.988 10.961 1.093 83 2HG ARG 12 1HG ARG 12 3.774 11.292 -0.628 84 1HD ARG 12 2HD ARG 12 2.171 13.067 -0.072 85 2HD ARG 12 1HD ARG 12 2.426 12.749 1.644 86 HE ARG 12 HE ARG 12 4.922 13.253 0.592 87 1HH1 ARG 12 1HH1 ARG 12 1.894 14.950 0.869 88 2HH1 ARG 12 2HH1 ARG 12 2.629 16.518 0.929 89 1HH2 ARG 12 1HH2 ARG 12 5.902 15.312 0.671 90 2HH2 ARG 12 2HH2 ARG 12 4.909 16.724 0.816 91 H THR 13 H THR 13 4.607 7.491 -0.250 92 HA THR 13 HA THR 13 4.913 7.333 2.661 93 HB THR 13 HB THR 13 6.347 5.410 0.929 94 HG1 THR 13 1HG THR 13 4.564 4.078 0.920 95 1HG2 THR 13 1HG2 THR 13 6.106 3.972 2.867 96 2HG2 THR 13 2HG2 THR 13 5.141 5.210 3.672 97 3HG2 THR 13 3HG2 THR 13 6.845 5.507 3.323 98 H ALA 14 H ALA 14 7.457 6.682 0.261 99 HA ALA 14 HA ALA 14 8.941 8.985 1.264 100 1HB ALA 14 1HB ALA 14 9.486 7.173 2.817 101 2HB ALA 14 2HB ALA 14 10.890 7.685 1.881 102 3HB ALA 14 3HB ALA 14 10.048 6.192 1.463 103 H GLY 15 H GLY 15 9.302 6.049 -0.746 104 1HA GLY 15 2HA GLY 15 9.483 6.390 -3.176 105 2HA GLY 15 1HA GLY 15 10.455 7.813 -2.828 106 H GLU 16 H GLU 16 12.018 6.574 -0.736 107 HA GLU 16 HA GLU 16 14.136 5.532 -2.242 108 1HB GLU 16 2HB GLU 16 15.191 5.031 -0.143 109 2HB GLU 16 1HB GLU 16 14.288 6.527 0.065 110 1HG GLU 16 2HG GLU 16 12.508 5.338 1.188 111 2HG GLU 16 1HG GLU 16 13.332 3.803 0.917 112 H GLY 17 H GLY 17 11.433 4.066 -0.634 113 1HA GLY 17 2HA GLY 17 12.013 1.522 -1.974 114 2HA GLY 17 1HA GLY 17 11.692 1.520 -0.242 115 H ALA 18 H ALA 18 9.682 3.100 0.197 116 HA ALA 18 HA ALA 18 7.537 2.252 -1.618 117 1HB ALA 18 1HB ALA 18 7.529 2.525 1.381 118 2HB ALA 18 2HB ALA 18 7.295 1.048 0.441 119 3HB ALA 18 3HB ALA 18 6.060 2.310 0.428 120 H MET 19 H MET 19 5.836 3.775 -2.060 121 HA MET 19 HA MET 19 5.923 6.347 -0.764 122 1HB MET 19 2HB MET 19 7.363 5.965 -3.101 123 2HB MET 19 1HB MET 19 5.881 6.743 -3.642 124 1HG MET 19 2HG MET 19 7.377 7.830 -1.315 125 2HG MET 19 1HG MET 19 7.924 8.176 -2.952 126 1HE MET 19 1HE MET 19 6.160 11.511 -1.820 127 2HE MET 19 2HE MET 19 7.631 10.819 -2.502 128 3HE MET 19 3HE MET 19 7.148 10.416 -0.854 129 H GLU 20 H GLU 20 3.878 4.327 -0.836 130 HA GLU 20 HA GLU 20 1.698 5.980 -1.725 131 1HB GLU 20 2HB GLU 20 2.006 3.203 -2.801 132 2HB GLU 20 1HB GLU 20 0.582 4.190 -3.010 133 1HG GLU 20 2HG GLU 20 2.188 5.863 -4.128 134 2HG GLU 20 1HG GLU 20 3.315 4.503 -4.214 135 H TYR 21 H TYR 21 -0.454 4.130 -1.344 136 HA TYR 21 HA TYR 21 0.073 2.924 1.132 137 1HB TYR 21 2HB TYR 21 0.113 4.892 2.102 138 2HB TYR 21 1HB TYR 21 -1.138 5.579 1.129 139 HD1 TYR 21 1HD TYR 21 -2.361 6.621 2.672 140 HD2 TYR 21 2HD TYR 21 -1.498 2.494 3.250 141 HE1 TYR 21 1HE TYR 21 -3.944 6.575 4.511 142 HE2 TYR 21 2HE TYR 21 -3.070 2.438 5.143 143 HH TYR 21 HH TYR 21 -4.103 3.998 6.739 144 H LEU 22 H LEU 22 -3.157 3.780 1.436 145 HA LEU 22 HA LEU 22 -3.606 0.962 1.253 146 1HB LEU 22 2HB LEU 22 -4.761 3.195 2.689 147 2HB LEU 22 1HB LEU 22 -5.986 2.134 2.023 148 HG LEU 22 HG LEU 22 -3.711 1.208 3.779 149 1HD1 LEU 22 1HD1 LEU 22 -5.375 1.016 5.542 150 2HD1 LEU 22 2HD1 LEU 22 -6.606 1.690 4.473 151 3HD1 LEU 22 3HD1 LEU 22 -5.247 2.687 4.990 152 1HD2 LEU 22 1HD2 LEU 22 -6.197 -0.175 2.780 153 2HD2 LEU 22 2HD2 LEU 22 -5.057 -0.843 3.948 154 3HD2 LEU 22 3HD2 LEU 22 -4.538 -0.521 2.295 155 H ILE 23 H ILE 23 -5.668 0.187 0.595 156 HA ILE 23 HA ILE 23 -6.829 -0.513 -1.198 157 HB ILE 23 HB ILE 23 -8.628 0.823 -1.689 158 1HG1 ILE 23 2HG1 ILE 23 -8.230 3.466 -1.064 159 2HG1 ILE 23 1HG1 ILE 23 -6.703 3.018 -1.802 160 1HG2 ILE 23 1HG2 ILE 23 -8.967 2.264 0.463 161 2HG2 ILE 23 2HG2 ILE 23 -7.477 1.460 0.967 162 3HG2 ILE 23 3HG2 ILE 23 -8.892 0.505 0.539 163 1HD1 ILE 23 1HD1 ILE 23 -7.570 3.055 -3.830 164 2HD1 ILE 23 2HD1 ILE 23 -8.993 3.805 -3.108 165 3HD1 ILE 23 3HD1 ILE 23 -8.940 2.060 -3.345 166 H GLU 24 H GLU 24 -7.547 0.744 -3.605 167 HA GLU 24 HA GLU 24 -6.707 1.195 -5.675 168 1HB GLU 24 2HB GLU 24 -5.256 2.856 -4.089 169 2HB GLU 24 1HB GLU 24 -3.969 1.815 -4.692 170 1HG GLU 24 2HG GLU 24 -5.911 3.373 -6.378 171 2HG GLU 24 1HG GLU 24 -4.227 3.801 -6.069 172 H TRP 25 H TRP 25 -6.106 -1.269 -3.777 173 HA TRP 25 HA TRP 25 -4.698 -2.775 -5.791 174 1HB TRP 25 2HB TRP 25 -3.385 -3.964 -3.925 175 2HB TRP 25 1HB TRP 25 -2.807 -2.403 -4.471 176 HD1 TRP 25 HD TRP 25 -5.356 -3.292 -1.616 177 HE1 TRP 25 1HE TRP 25 -4.458 -2.163 0.553 178 HE3 TRP 25 3HE TRP 25 -1.133 -1.106 -3.447 179 HZ2 TRP 25 2HZ TRP 25 -2.292 -0.676 1.338 180 HZ3 TRP 25 3HZ TRP 25 0.315 0.169 -1.903 181 HH2 TRP 25 HH TRP 25 -0.274 0.440 0.441 182 H LYS 26 H LYS 26 -4.658 -5.253 -4.563 183 HA LYS 26 HA LYS 26 -7.495 -5.603 -3.852 184 1HB LYS 26 2HB LYS 26 -5.800 -7.276 -5.699 185 2HB LYS 26 1HB LYS 26 -7.329 -7.835 -5.038 186 1HG LYS 26 2HG LYS 26 -7.914 -7.028 -7.123 187 2HG LYS 26 1HG LYS 26 -8.313 -5.686 -6.049 188 1HD LYS 26 2HD LYS 26 -7.194 -4.795 -7.966 189 2HD LYS 26 1HD LYS 26 -6.091 -4.688 -6.597 190 1HE LYS 26 2HE LYS 26 -4.950 -6.710 -7.350 191 2HE LYS 26 1HE LYS 26 -6.063 -6.837 -8.711 192 1HZ LYS 26 1HZ LYS 26 -4.168 -4.600 -8.227 193 2HZ LYS 26 2HZ LYS 26 -5.239 -4.717 -9.532 194 3HZ LYS 26 3HZ LYS 26 -3.975 -5.829 -9.375 195 H ASP 27 H ASP 27 -6.305 -5.369 -1.680 196 HA ASP 27 HA ASP 27 -5.383 -6.319 0.216 197 1HB ASP 27 2HB ASP 27 -6.627 -8.259 0.978 198 2HB ASP 27 1HB ASP 27 -7.724 -7.156 0.151 199 H GLY 28 H GLY 28 -3.806 -6.872 -2.235 200 1HA GLY 28 2HA GLY 28 -2.932 -9.441 -2.561 201 2HA GLY 28 1HA GLY 28 -1.872 -8.057 -2.698 202 H HIS 29 H HIS 29 -1.299 -7.154 -0.287 203 HA HIS 29 HA HIS 29 -0.730 -9.525 1.355 204 1HB HIS 29 2HB HIS 29 1.310 -9.032 -0.022 205 2HB HIS 29 1HB HIS 29 1.439 -7.450 0.757 206 HD1 HIS 29 1HD HIS 29 1.558 -11.143 1.624 207 HD2 HIS 29 2HD HIS 29 2.721 -7.461 3.160 208 HE1 HIS 29 1HE HIS 29 2.958 -11.669 3.646 209 HE2 HIS 29 2HE HIS 29 3.704 -9.428 4.522 210 H SER 30 H SER 30 -2.141 -8.959 2.960 211 HA SER 30 HA SER 30 -3.043 -7.730 4.700 212 1HB SER 30 2HB SER 30 -0.133 -7.019 5.096 213 2HB SER 30 1HB SER 30 -1.387 -7.136 6.344 214 HG SER 30 HG SER 30 -0.109 -9.017 6.304 215 HA PRO 31 HA PRO 31 -3.699 -3.583 2.620 216 1HB PRO 31 2HB PRO 31 -4.882 -3.085 5.273 217 2HB PRO 31 1HB PRO 31 -5.631 -2.981 3.679 218 1HG PRO 31 2HG PRO 31 -5.693 -5.177 5.582 219 2HG PRO 31 1HG PRO 31 -6.623 -4.978 4.091 220 1HD PRO 31 2HD PRO 31 -4.714 -6.882 4.383 221 2HD PRO 31 1HD PRO 31 -5.052 -6.122 2.816 222 H SER 32 H SER 32 -2.174 -2.000 2.669 223 HA SER 32 HA SER 32 -0.852 -1.405 5.202 224 1HB SER 32 2HB SER 32 0.338 -3.356 4.132 225 2HB SER 32 1HB SER 32 0.793 -2.249 2.827 226 HG SER 32 HG SER 32 1.966 -2.581 5.193 227 H TRP 33 H TRP 33 1.274 -0.020 4.470 228 HA TRP 33 HA TRP 33 0.280 2.107 2.685 229 1HB TRP 33 2HB TRP 33 0.542 2.707 5.129 230 2HB TRP 33 1HB TRP 33 2.261 2.365 4.974 231 HD1 TRP 33 HD TRP 33 3.360 3.891 2.744 232 HE1 TRP 33 1HE TRP 33 3.076 6.415 2.388 233 HE3 TRP 33 3HE TRP 33 -0.748 4.683 5.689 234 HZ2 TRP 33 2HZ TRP 33 1.337 8.479 3.231 235 HZ3 TRP 33 3HZ TRP 33 -1.653 6.968 5.855 236 HH2 TRP 33 HH TRP 33 -0.630 8.823 4.633 237 H VAL 34 H VAL 34 1.200 1.398 0.800 238 HA VAL 34 HA VAL 34 4.017 1.656 0.531 239 HB VAL 34 HB VAL 34 2.902 -0.998 0.895 240 1HG1 VAL 34 1HG1 VAL 34 3.798 -2.248 -0.815 241 2HG1 VAL 34 2HG1 VAL 34 4.782 -0.954 -1.429 242 3HG1 VAL 34 3HG1 VAL 34 3.039 -0.920 -1.668 243 1HG2 VAL 34 1HG2 VAL 34 5.106 0.490 1.621 244 2HG2 VAL 34 2HG2 VAL 34 5.778 -0.736 0.556 245 3HG2 VAL 34 3HG2 VAL 34 4.854 -1.210 1.978 246 HA PRO 35 HA PRO 35 3.512 2.752 -3.689 247 1HB PRO 35 2HB PRO 35 5.223 0.968 -4.914 248 2HB PRO 35 1HB PRO 35 5.658 2.504 -4.162 249 1HG PRO 35 2HG PRO 35 5.727 -0.250 -2.995 250 2HG PRO 35 1HG PRO 35 6.960 1.023 -2.924 251 1HD PRO 35 2HD PRO 35 5.413 0.659 -0.855 252 2HD PRO 35 1HD PRO 35 5.661 2.286 -1.430 253 H SER 36 H SER 36 1.247 1.532 -3.378 254 HA SER 36 HA SER 36 -0.388 0.442 -4.541 255 1HB SER 36 2HB SER 36 1.743 0.425 -6.685 256 2HB SER 36 1HB SER 36 0.101 -0.165 -6.942 257 HG SER 36 HG SER 36 -0.661 1.912 -6.441 258 H SER 37 H SER 37 1.487 -0.928 -2.844 259 HA SER 37 HA SER 37 0.743 -3.612 -3.581 260 1HB SER 37 2HB SER 37 3.617 -3.125 -2.821 261 2HB SER 37 1HB SER 37 2.904 -4.537 -3.597 262 HG SER 37 HG SER 37 2.457 -3.049 -5.404 263 H TYR 38 H TYR 38 3.012 -4.109 -1.321 264 HA TYR 38 HA TYR 38 2.067 -2.918 1.034 265 1HB TYR 38 2HB TYR 38 1.314 -5.631 1.484 266 2HB TYR 38 1HB TYR 38 0.372 -4.184 1.749 267 HD1 TYR 38 1HD TYR 38 -1.698 -4.203 0.776 268 HD2 TYR 38 2HD TYR 38 1.516 -6.158 -1.204 269 HE1 TYR 38 1HE TYR 38 -3.244 -4.923 -1.007 270 HE2 TYR 38 2HE TYR 38 -0.011 -6.876 -2.995 271 HH TYR 38 HH TYR 38 -3.443 -5.979 -2.974 272 H ILE 39 H ILE 39 4.038 -2.773 1.626 273 HA ILE 39 HA ILE 39 5.565 -5.074 2.340 274 HB ILE 39 HB ILE 39 6.574 -5.201 0.312 275 1HG1 ILE 39 2HG1 ILE 39 8.209 -3.832 1.998 276 2HG1 ILE 39 1HG1 ILE 39 8.699 -4.407 0.419 277 1HG2 ILE 39 1HG2 ILE 39 5.488 -2.497 -0.015 278 2HG2 ILE 39 2HG2 ILE 39 5.225 -3.938 -0.997 279 3HG2 ILE 39 3HG2 ILE 39 6.734 -3.024 -1.142 280 1HD1 ILE 39 1HD1 ILE 39 8.868 -2.324 -0.431 281 2HD1 ILE 39 2HD1 ILE 39 9.027 -1.866 1.263 282 3HD1 ILE 39 3HD1 ILE 39 7.472 -1.726 0.461 283 H ALA 40 H ALA 40 5.153 -4.157 4.317 284 HA ALA 40 HA ALA 40 5.726 -1.520 4.999 285 1HB ALA 40 1HB ALA 40 4.397 -3.082 6.329 286 2HB ALA 40 2HB ALA 40 5.635 -2.262 7.283 287 3HB ALA 40 3HB ALA 40 5.874 -3.934 6.771 288 H ALA 41 H ALA 41 7.628 -0.858 4.114 289 HA ALA 41 HA ALA 41 9.873 -0.517 3.912 290 1HB ALA 41 1HB ALA 41 9.799 -1.178 6.846 291 2HB ALA 41 2HB ALA 41 9.362 0.379 6.142 292 3HB ALA 41 3HB ALA 41 11.018 -0.213 6.010 293 H ASP 42 H ASP 42 9.568 -2.806 2.795 294 HA ASP 42 HA ASP 42 11.600 -4.574 3.976 295 1HB ASP 42 2HB ASP 42 9.341 -5.573 4.028 296 2HB ASP 42 1HB ASP 42 9.255 -5.429 2.274 297 H VAL 43 H VAL 43 10.670 -2.795 1.135 298 HA VAL 43 HA VAL 43 13.126 -3.137 -0.112 299 HB VAL 43 HB VAL 43 12.065 -4.442 -2.194 300 1HG1 VAL 43 1HG1 VAL 43 13.020 -6.490 -0.500 301 2HG1 VAL 43 2HG1 VAL 43 13.906 -5.018 -0.100 302 3HG1 VAL 43 3HG1 VAL 43 13.891 -5.615 -1.760 303 1HG2 VAL 43 1HG2 VAL 43 10.749 -6.328 -1.519 304 2HG2 VAL 43 2HG2 VAL 43 9.939 -4.863 -0.972 305 3HG2 VAL 43 3HG2 VAL 43 10.840 -5.852 0.173 306 H VAL 44 H VAL 44 10.310 -3.457 -2.226 307 HA VAL 44 HA VAL 44 9.625 -0.755 -2.401 308 HB VAL 44 HB VAL 44 11.867 -0.312 -3.123 309 1HG1 VAL 44 1HG1 VAL 44 11.421 -2.400 -5.253 310 2HG1 VAL 44 2HG1 VAL 44 12.474 -2.556 -3.847 311 3HG1 VAL 44 3HG1 VAL 44 12.846 -1.372 -5.100 312 1HG2 VAL 44 1HG2 VAL 44 10.478 -0.264 -5.752 313 2HG2 VAL 44 2HG2 VAL 44 11.384 1.005 -4.929 314 3HG2 VAL 44 3HG2 VAL 44 9.745 0.613 -4.413 315 H SER 45 H SER 45 7.736 -0.710 -3.296 316 HA SER 45 HA SER 45 5.977 -1.011 -4.687 317 1HB SER 45 2HB SER 45 7.629 -0.592 -6.461 318 2HB SER 45 1HB SER 45 7.988 -2.317 -6.526 319 HG SER 45 HG SER 45 6.249 -1.177 -7.967 320 H GLU 46 H GLU 46 7.205 -3.396 -2.964 321 HA GLU 46 HA GLU 46 4.983 -5.047 -3.150 322 1HB GLU 46 2HB GLU 46 6.881 -5.530 -5.247 323 2HB GLU 46 1HB GLU 46 6.782 -6.946 -4.209 324 1HG GLU 46 2HG GLU 46 4.316 -6.905 -4.482 325 2HG GLU 46 1HG GLU 46 4.510 -5.591 -5.642 326 H TYR 47 H TYR 47 5.226 -7.172 -2.078 327 HA TYR 47 HA TYR 47 7.441 -7.173 -0.139 328 1HB TYR 47 2HB TYR 47 5.516 -6.569 1.107 329 2HB TYR 47 1HB TYR 47 4.502 -7.788 0.330 330 HD1 TYR 47 1HD TYR 47 7.017 -7.106 2.893 331 HD2 TYR 47 2HD TYR 47 4.689 -10.137 1.028 332 HE1 TYR 47 1HE TYR 47 7.543 -8.638 4.743 333 HE2 TYR 47 2HE TYR 47 5.207 -11.679 2.873 334 HH TYR 47 HH TYR 47 6.948 -11.970 4.597 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -11.531 -1.545 11.387 2 2H GLY 1 2HT GLY 1 -13.153 -1.855 11.745 3 3H GLY 1 3HT GLY 1 -12.715 -0.401 11.001 4 1HA GLY 1 1HA GLY 1 -12.504 -3.111 9.808 5 2HA GLY 1 2HA GLY 1 -13.699 -1.892 9.389 6 H SER 2 H SER 2 -13.167 -1.561 7.284 7 HA SER 2 HA SER 2 -12.047 -0.725 5.489 8 1HB SER 2 2HB SER 2 -10.347 0.596 7.620 9 2HB SER 2 1HB SER 2 -10.341 1.016 5.907 10 HG SER 2 HG SER 2 -11.739 2.277 7.429 11 H GLY 3 H GLY 3 -9.801 -0.639 4.427 12 1HA GLY 3 2HA GLY 3 -7.561 -1.528 4.365 13 2HA GLY 3 1HA GLY 3 -8.082 -2.797 5.463 14 H GLU 4 H GLU 4 -6.910 -2.567 2.595 15 HA GLU 4 HA GLU 4 -7.046 -3.663 0.612 16 1HB GLU 4 2HB GLU 4 -7.483 -5.980 0.727 17 2HB GLU 4 1HB GLU 4 -6.791 -5.542 2.281 18 1HG GLU 4 2HG GLU 4 -8.863 -5.712 3.370 19 2HG GLU 4 1HG GLU 4 -9.755 -5.731 1.848 20 H VAL 5 H VAL 5 -9.395 -1.974 1.498 21 HA VAL 5 HA VAL 5 -11.717 -3.085 0.291 22 HB VAL 5 HB VAL 5 -11.174 -0.188 0.954 23 1HG1 VAL 5 1HG1 VAL 5 -13.689 -1.820 0.592 24 2HG1 VAL 5 2HG1 VAL 5 -13.160 -0.415 -0.335 25 3HG1 VAL 5 3HG1 VAL 5 -13.671 -0.225 1.342 26 1HG2 VAL 5 1HG2 VAL 5 -10.669 -1.539 2.907 27 2HG2 VAL 5 2HG2 VAL 5 -12.203 -2.395 2.750 28 3HG2 VAL 5 3HG2 VAL 5 -12.189 -0.679 3.151 29 H ASN 6 H ASN 6 -8.953 -1.810 -1.149 30 HA ASN 6 HA ASN 6 -8.512 -0.570 -3.068 31 1HB ASN 6 2HB ASN 6 -8.937 -2.895 -3.819 32 2HB ASN 6 1HB ASN 6 -10.631 -2.496 -4.052 33 1HD2 ASN 6 1HD2 ASN 6 -7.407 -2.124 -5.252 34 2HD2 ASN 6 2HD2 ASN 6 -7.833 -1.436 -6.781 35 H LYS 7 H LYS 7 -9.351 1.531 -2.537 36 HA LYS 7 HA LYS 7 -11.688 2.249 -4.050 37 1HB LYS 7 2HB LYS 7 -12.841 3.246 -2.121 38 2HB LYS 7 1HB LYS 7 -12.620 1.517 -1.908 39 1HG LYS 7 2HG LYS 7 -10.604 2.025 -0.514 40 2HG LYS 7 1HG LYS 7 -11.053 3.725 -0.592 41 1HD LYS 7 2HD LYS 7 -13.199 3.227 0.451 42 2HD LYS 7 1HD LYS 7 -12.786 1.513 0.501 43 1HE LYS 7 2HE LYS 7 -12.400 2.499 2.670 44 2HE LYS 7 1HE LYS 7 -10.858 2.049 1.942 45 1HZ LYS 7 1HZ LYS 7 -10.526 4.350 1.298 46 2HZ LYS 7 2HZ LYS 7 -10.756 4.233 2.969 47 3HZ LYS 7 3HZ LYS 7 -12.012 4.785 1.980 48 H ILE 8 H ILE 8 -11.628 4.718 -2.078 49 HA ILE 8 HA ILE 8 -9.572 6.147 -3.574 50 HB ILE 8 HB ILE 8 -11.813 6.902 -3.809 51 1HG1 ILE 8 2HG1 ILE 8 -11.491 9.220 -3.421 52 2HG1 ILE 8 1HG1 ILE 8 -10.552 8.927 -1.962 53 1HG2 ILE 8 1HG2 ILE 8 -12.450 7.970 -1.270 54 2HG2 ILE 8 2HG2 ILE 8 -11.955 6.290 -1.032 55 3HG2 ILE 8 3HG2 ILE 8 -13.265 6.675 -2.149 56 1HD1 ILE 8 1HD1 ILE 8 -9.219 9.749 -3.877 57 2HD1 ILE 8 2HD1 ILE 8 -9.614 8.263 -4.743 58 3HD1 ILE 8 3HD1 ILE 8 -8.673 8.192 -3.251 59 H ILE 9 H ILE 9 -7.727 5.836 -2.326 60 HA ILE 9 HA ILE 9 -7.792 7.174 0.283 61 HB ILE 9 HB ILE 9 -7.766 4.655 0.242 62 1HG1 ILE 9 2HG1 ILE 9 -6.696 6.513 1.995 63 2HG1 ILE 9 1HG1 ILE 9 -7.071 4.838 2.354 64 1HG2 ILE 9 1HG2 ILE 9 -6.303 4.075 -1.433 65 2HG2 ILE 9 2HG2 ILE 9 -5.417 3.717 0.048 66 3HG2 ILE 9 3HG2 ILE 9 -5.038 5.169 -0.859 67 1HD1 ILE 9 1HD1 ILE 9 -4.444 6.122 1.840 68 2HD1 ILE 9 2HD1 ILE 9 -4.643 4.407 1.508 69 3HD1 ILE 9 3HD1 ILE 9 -4.935 5.027 3.127 70 H GLY 10 H GLY 10 -5.395 7.574 1.035 71 1HA GLY 10 2HA GLY 10 -4.072 8.970 -1.195 72 2HA GLY 10 1HA GLY 10 -3.882 9.366 0.513 73 H SER 11 H SER 11 -1.586 9.030 -0.942 74 HA SER 11 HA SER 11 -0.428 6.713 0.216 75 1HB SER 11 2HB SER 11 0.364 6.311 -2.434 76 2HB SER 11 1HB SER 11 -0.720 5.292 -1.479 77 HG SER 11 HG SER 11 -2.079 5.840 -2.999 78 H ARG 12 H ARG 12 1.344 7.535 1.094 79 HA ARG 12 HA ARG 12 3.354 8.776 -0.580 80 1HB ARG 12 2HB ARG 12 2.162 10.330 1.726 81 2HB ARG 12 1HB ARG 12 3.614 10.783 0.850 82 1HG ARG 12 2HG ARG 12 2.185 12.087 -0.281 83 2HG ARG 12 1HG ARG 12 1.879 10.611 -1.195 84 1HD ARG 12 2HD ARG 12 -0.104 10.165 -0.001 85 2HD ARG 12 1HD ARG 12 0.300 11.326 1.259 86 HE ARG 12 HE ARG 12 -0.909 11.880 -1.306 87 1HH1 ARG 12 1HH1 ARG 12 0.807 13.187 1.434 88 2HH1 ARG 12 2HH1 ARG 12 0.234 14.802 1.183 89 1HH2 ARG 12 1HH2 ARG 12 -1.665 14.005 -1.639 90 2HH2 ARG 12 2HH2 ARG 12 -1.167 15.266 -0.562 91 H THR 13 H THR 13 4.969 7.320 0.040 92 HA THR 13 HA THR 13 5.317 6.985 2.924 93 HB THR 13 HB THR 13 6.915 5.157 1.306 94 HG1 THR 13 1HG THR 13 5.189 3.827 0.780 95 1HG2 THR 13 1HG2 THR 13 5.809 3.586 3.027 96 2HG2 THR 13 2HG2 THR 13 5.290 5.085 3.799 97 3HG2 THR 13 3HG2 THR 13 7.006 4.759 3.574 98 H ALA 14 H ALA 14 7.777 6.527 0.397 99 HA ALA 14 HA ALA 14 9.327 8.711 1.560 100 1HB ALA 14 1HB ALA 14 9.909 6.767 2.930 101 2HB ALA 14 2HB ALA 14 11.285 7.344 1.990 102 3HB ALA 14 3HB ALA 14 10.409 5.901 1.478 103 H GLY 15 H GLY 15 9.568 5.962 -0.717 104 1HA GLY 15 2HA GLY 15 9.645 6.556 -3.113 105 2HA GLY 15 1HA GLY 15 10.698 7.888 -2.665 106 H GLU 16 H GLU 16 12.319 6.380 -0.813 107 HA GLU 16 HA GLU 16 14.292 5.422 -2.551 108 1HB GLU 16 2HB GLU 16 14.891 6.125 -0.329 109 2HB GLU 16 1HB GLU 16 13.833 4.921 0.395 110 1HG GLU 16 2HG GLU 16 15.262 3.141 -0.473 111 2HG GLU 16 1HG GLU 16 16.320 4.348 -1.203 112 H GLY 17 H GLY 17 11.584 3.887 -1.027 113 1HA GLY 17 2HA GLY 17 11.957 1.530 -2.688 114 2HA GLY 17 1HA GLY 17 11.911 1.271 -0.953 115 H ALA 18 H ALA 18 10.028 3.069 -0.131 116 HA ALA 18 HA ALA 18 7.667 2.224 -1.609 117 1HB ALA 18 1HB ALA 18 7.996 2.386 1.379 118 2HB ALA 18 2HB ALA 18 7.635 0.944 0.422 119 3HB ALA 18 3HB ALA 18 6.420 2.217 0.597 120 H MET 19 H MET 19 6.040 3.742 -2.003 121 HA MET 19 HA MET 19 6.179 6.273 -0.629 122 1HB MET 19 2HB MET 19 7.510 5.983 -3.035 123 2HB MET 19 1HB MET 19 5.981 6.719 -3.502 124 1HG MET 19 2HG MET 19 6.341 8.525 -1.937 125 2HG MET 19 1HG MET 19 7.832 7.764 -1.393 126 1HE MET 19 1HE MET 19 8.806 10.289 -1.822 127 2HE MET 19 2HE MET 19 7.332 10.847 -2.613 128 3HE MET 19 3HE MET 19 8.888 11.028 -3.421 129 H GLU 20 H GLU 20 4.114 4.277 -0.605 130 HA GLU 20 HA GLU 20 1.940 5.919 -1.496 131 1HB GLU 20 2HB GLU 20 2.256 3.117 -2.453 132 2HB GLU 20 1HB GLU 20 0.766 4.015 -2.600 133 1HG GLU 20 2HG GLU 20 2.215 5.747 -3.838 134 2HG GLU 20 1HG GLU 20 3.396 4.435 -3.980 135 H TYR 21 H TYR 21 -0.055 3.589 -0.914 136 HA TYR 21 HA TYR 21 0.441 3.450 1.929 137 1HB TYR 21 2HB TYR 21 -0.256 5.609 1.656 138 2HB TYR 21 1HB TYR 21 -1.617 5.044 0.724 139 HD1 TYR 21 1HD TYR 21 -2.446 6.964 2.727 140 HD2 TYR 21 2HD TYR 21 -1.430 2.832 3.216 141 HE1 TYR 21 1HE TYR 21 -3.846 6.823 4.752 142 HE2 TYR 21 2HE TYR 21 -2.784 2.716 5.243 143 HH TYR 21 HH TYR 21 -3.664 4.298 6.970 144 H LEU 22 H LEU 22 -2.860 3.549 0.976 145 HA LEU 22 HA LEU 22 -3.100 0.719 1.622 146 1HB LEU 22 2HB LEU 22 -3.832 2.326 3.412 147 2HB LEU 22 1HB LEU 22 -5.154 2.764 2.379 148 HG LEU 22 HG LEU 22 -6.066 0.530 2.550 149 1HD1 LEU 22 1HD1 LEU 22 -3.498 -0.055 3.990 150 2HD1 LEU 22 2HD1 LEU 22 -4.162 -0.856 2.564 151 3HD1 LEU 22 3HD1 LEU 22 -4.926 -1.078 4.138 152 1HD2 LEU 22 1HD2 LEU 22 -6.568 0.464 4.923 153 2HD2 LEU 22 2HD2 LEU 22 -6.605 2.123 4.327 154 3HD2 LEU 22 3HD2 LEU 22 -5.218 1.549 5.254 155 H ILE 23 H ILE 23 -5.249 -0.198 1.062 156 HA ILE 23 HA ILE 23 -6.312 -1.141 -0.686 157 HB ILE 23 HB ILE 23 -8.105 0.442 -1.562 158 1HG1 ILE 23 2HG1 ILE 23 -6.494 2.362 -0.782 159 2HG1 ILE 23 1HG1 ILE 23 -8.220 2.597 -0.879 160 1HG2 ILE 23 1HG2 ILE 23 -8.100 -1.176 0.410 161 2HG2 ILE 23 2HG2 ILE 23 -9.408 -0.001 0.250 162 3HG2 ILE 23 3HG2 ILE 23 -8.104 0.270 1.401 163 1HD1 ILE 23 1HD1 ILE 23 -8.367 2.998 1.312 164 2HD1 ILE 23 2HD1 ILE 23 -6.619 3.119 1.306 165 3HD1 ILE 23 3HD1 ILE 23 -7.380 1.605 1.723 166 H GLU 24 H GLU 24 -7.217 0.805 -3.041 167 HA GLU 24 HA GLU 24 -6.477 0.953 -5.195 168 1HB GLU 24 2HB GLU 24 -5.144 2.739 -3.960 169 2HB GLU 24 1HB GLU 24 -3.810 1.594 -3.929 170 1HG GLU 24 2HG GLU 24 -3.508 3.121 -5.751 171 2HG GLU 24 1HG GLU 24 -3.857 1.515 -6.389 172 H TRP 25 H TRP 25 -6.089 -1.604 -3.586 173 HA TRP 25 HA TRP 25 -4.594 -3.032 -5.548 174 1HB TRP 25 2HB TRP 25 -3.264 -4.229 -3.666 175 2HB TRP 25 1HB TRP 25 -2.669 -2.722 -4.321 176 HD1 TRP 25 HD TRP 25 -5.037 -3.496 -1.264 177 HE1 TRP 25 1HE TRP 25 -4.037 -2.203 0.784 178 HE3 TRP 25 3HE TRP 25 -1.014 -1.235 -3.482 179 HZ2 TRP 25 2HZ TRP 25 -1.889 -0.651 1.341 180 HZ3 TRP 25 3HZ TRP 25 0.455 0.155 -2.018 181 HH2 TRP 25 HH TRP 25 0.017 0.506 0.237 182 H LYS 26 H LYS 26 -4.466 -5.533 -4.381 183 HA LYS 26 HA LYS 26 -7.277 -5.967 -3.616 184 1HB LYS 26 2HB LYS 26 -5.591 -7.691 -5.433 185 2HB LYS 26 1HB LYS 26 -7.228 -8.063 -4.910 186 1HG LYS 26 2HG LYS 26 -8.028 -6.024 -6.027 187 2HG LYS 26 1HG LYS 26 -6.385 -5.713 -6.593 188 1HD LYS 26 2HD LYS 26 -6.407 -7.843 -7.807 189 2HD LYS 26 1HD LYS 26 -8.053 -8.144 -7.245 190 1HE LYS 26 2HE LYS 26 -8.806 -6.115 -8.404 191 2HE LYS 26 1HE LYS 26 -7.161 -5.840 -8.978 192 1HZ LYS 26 1HZ LYS 26 -7.272 -7.937 -10.177 193 2HZ LYS 26 2HZ LYS 26 -8.516 -6.901 -10.667 194 3HZ LYS 26 3HZ LYS 26 -8.852 -8.195 -9.628 195 H ASP 27 H ASP 27 -5.940 -5.752 -1.462 196 HA ASP 27 HA ASP 27 -5.118 -6.770 0.420 197 1HB ASP 27 2HB ASP 27 -7.438 -7.758 0.143 198 2HB ASP 27 1HB ASP 27 -6.666 -9.166 -0.567 199 H GLY 28 H GLY 28 -3.503 -7.202 -2.107 200 1HA GLY 28 2HA GLY 28 -2.510 -9.751 -2.369 201 2HA GLY 28 1HA GLY 28 -1.510 -8.325 -2.551 202 H HIS 29 H HIS 29 -1.044 -7.292 -0.168 203 HA HIS 29 HA HIS 29 -0.435 -9.550 1.609 204 1HB HIS 29 2HB HIS 29 1.624 -9.095 0.343 205 2HB HIS 29 1HB HIS 29 1.596 -7.411 0.864 206 HD1 HIS 29 1HD HIS 29 2.448 -6.888 3.198 207 HD2 HIS 29 2HD HIS 29 2.322 -10.958 2.373 208 HE1 HIS 29 1HE HIS 29 3.705 -7.992 5.076 209 HE2 HIS 29 2HE HIS 29 3.549 -10.462 4.595 210 H SER 30 H SER 30 -1.956 -8.972 3.113 211 HA SER 30 HA SER 30 -2.987 -7.723 4.769 212 1HB SER 30 2HB SER 30 -0.103 -7.012 5.310 213 2HB SER 30 1HB SER 30 -1.422 -7.099 6.494 214 HG SER 30 HG SER 30 -0.164 -8.993 6.547 215 HA PRO 31 HA PRO 31 -3.588 -3.499 2.865 216 1HB PRO 31 2HB PRO 31 -4.824 -3.124 5.521 217 2HB PRO 31 1HB PRO 31 -5.525 -2.895 3.919 218 1HG PRO 31 2HG PRO 31 -5.774 -5.170 5.668 219 2HG PRO 31 1HG PRO 31 -6.548 -4.899 4.101 220 1HD PRO 31 2HD PRO 31 -4.667 -6.840 4.568 221 2HD PRO 31 1HD PRO 31 -4.959 -6.114 2.974 222 H SER 32 H SER 32 -1.882 -2.143 2.952 223 HA SER 32 HA SER 32 -0.581 -1.672 5.563 224 1HB SER 32 2HB SER 32 0.513 -3.501 4.164 225 2HB SER 32 1HB SER 32 0.918 -2.235 2.989 226 HG SER 32 HG SER 32 1.687 -2.242 5.734 227 H TRP 33 H TRP 33 1.652 -0.335 4.365 228 HA TRP 33 HA TRP 33 0.583 1.965 2.890 229 1HB TRP 33 2HB TRP 33 0.883 2.514 5.357 230 2HB TRP 33 1HB TRP 33 2.592 2.125 5.164 231 HD1 TRP 33 HD TRP 33 3.805 3.659 3.087 232 HE1 TRP 33 1HE TRP 33 3.542 6.180 2.676 233 HE3 TRP 33 3HE TRP 33 -0.493 4.477 5.727 234 HZ2 TRP 33 2HZ TRP 33 1.735 8.250 3.369 235 HZ3 TRP 33 3HZ TRP 33 -1.410 6.760 5.806 236 HH2 TRP 33 HH TRP 33 -0.320 8.604 4.630 237 H VAL 34 H VAL 34 1.410 1.293 1.014 238 HA VAL 34 HA VAL 34 4.231 1.448 0.682 239 HB VAL 34 HB VAL 34 2.959 -1.208 0.778 240 1HG1 VAL 34 1HG1 VAL 34 5.220 -1.112 -1.133 241 2HG1 VAL 34 2HG1 VAL 34 3.607 -0.786 -1.754 242 3HG1 VAL 34 3HG1 VAL 34 3.941 -2.283 -0.952 243 1HG2 VAL 34 1HG2 VAL 34 5.648 0.007 1.224 244 2HG2 VAL 34 2HG2 VAL 34 5.390 -1.727 1.249 245 3HG2 VAL 34 3HG2 VAL 34 4.545 -0.707 2.399 246 HA PRO 35 HA PRO 35 3.781 2.768 -3.461 247 1HB PRO 35 2HB PRO 35 5.541 1.025 -4.666 248 2HB PRO 35 1HB PRO 35 5.998 2.499 -3.812 249 1HG PRO 35 2HG PRO 35 5.797 -0.306 -2.766 250 2HG PRO 35 1HG PRO 35 7.150 0.831 -2.616 251 1HD PRO 35 2HD PRO 35 5.571 0.643 -0.590 252 2HD PRO 35 1HD PRO 35 5.840 2.255 -1.213 253 H SER 36 H SER 36 1.500 1.590 -3.346 254 HA SER 36 HA SER 36 -0.064 0.579 -4.666 255 1HB SER 36 2HB SER 36 1.039 1.544 -6.588 256 2HB SER 36 1HB SER 36 2.272 0.282 -6.569 257 HG SER 36 HG SER 36 0.866 -1.129 -7.378 258 H SER 37 H SER 37 1.784 -0.902 -2.791 259 HA SER 37 HA SER 37 0.764 -3.512 -3.509 260 1HB SER 37 2HB SER 37 3.697 -3.184 -2.861 261 2HB SER 37 1HB SER 37 2.867 -4.650 -3.377 262 HG SER 37 HG SER 37 3.152 -4.048 -5.359 263 H TYR 38 H TYR 38 3.130 -4.020 -1.224 264 HA TYR 38 HA TYR 38 2.125 -2.937 1.142 265 1HB TYR 38 2HB TYR 38 1.448 -5.646 1.553 266 2HB TYR 38 1HB TYR 38 0.430 -4.240 1.764 267 HD1 TYR 38 1HD TYR 38 -1.599 -4.349 0.672 268 HD2 TYR 38 2HD TYR 38 1.808 -6.192 -1.095 269 HE1 TYR 38 1HE TYR 38 -2.976 -5.021 -1.255 270 HE2 TYR 38 2HE TYR 38 0.432 -6.888 -3.021 271 HH TYR 38 HH TYR 38 -2.084 -5.703 -4.008 272 H ILE 39 H ILE 39 3.991 -2.843 2.016 273 HA ILE 39 HA ILE 39 5.549 -5.006 2.774 274 HB ILE 39 HB ILE 39 6.142 -5.421 0.557 275 1HG1 ILE 39 2HG1 ILE 39 8.463 -5.094 0.409 276 2HG1 ILE 39 1HG1 ILE 39 8.406 -3.577 1.295 277 1HG2 ILE 39 1HG2 ILE 39 5.123 -3.336 -0.290 278 2HG2 ILE 39 2HG2 ILE 39 6.605 -3.814 -1.123 279 3HG2 ILE 39 3HG2 ILE 39 6.642 -2.503 0.053 280 1HD1 ILE 39 1HD1 ILE 39 7.860 -4.803 3.338 281 2HD1 ILE 39 2HD1 ILE 39 9.369 -5.373 2.627 282 3HD1 ILE 39 3HD1 ILE 39 7.892 -6.317 2.436 283 H ALA 40 H ALA 40 4.435 -2.794 3.871 284 HA ALA 40 HA ALA 40 6.424 -0.730 4.154 285 1HB ALA 40 1HB ALA 40 4.909 0.409 5.454 286 2HB ALA 40 2HB ALA 40 4.133 -1.066 6.031 287 3HB ALA 40 3HB ALA 40 3.869 -0.519 4.377 288 H ALA 41 H ALA 41 8.208 -1.747 4.841 289 HA ALA 41 HA ALA 41 8.721 -1.813 7.576 290 1HB ALA 41 1HB ALA 41 9.008 -4.199 8.002 291 2HB ALA 41 2HB ALA 41 8.398 -4.571 6.390 292 3HB ALA 41 3HB ALA 41 7.332 -3.838 7.589 293 H ASP 42 H ASP 42 9.498 -3.044 4.381 294 HA ASP 42 HA ASP 42 12.337 -2.946 5.043 295 1HB ASP 42 2HB ASP 42 11.625 -5.035 4.061 296 2HB ASP 42 1HB ASP 42 10.906 -4.190 2.693 297 H VAL 43 H VAL 43 11.243 -2.539 1.729 298 HA VAL 43 HA VAL 43 11.294 0.177 1.413 299 HB VAL 43 HB VAL 43 13.518 0.191 2.435 300 1HG1 VAL 43 1HG1 VAL 43 14.599 -1.391 0.136 301 2HG1 VAL 43 2HG1 VAL 43 14.025 -2.178 1.604 302 3HG1 VAL 43 3HG1 VAL 43 15.353 -1.022 1.687 303 1HG2 VAL 43 1HG2 VAL 43 13.748 0.735 -0.516 304 2HG2 VAL 43 2HG2 VAL 43 14.733 1.430 0.769 305 3HG2 VAL 43 3HG2 VAL 43 13.018 1.825 0.660 306 H VAL 44 H VAL 44 9.789 -1.207 -0.119 307 HA VAL 44 HA VAL 44 11.040 -1.190 -2.729 308 HB VAL 44 HB VAL 44 10.384 -3.516 -3.295 309 1HG1 VAL 44 1HG1 VAL 44 12.312 -4.563 -2.263 310 2HG1 VAL 44 2HG1 VAL 44 12.380 -3.290 -1.045 311 3HG1 VAL 44 3HG1 VAL 44 12.703 -2.909 -2.737 312 1HG2 VAL 44 1HG2 VAL 44 9.963 -5.106 -1.505 313 2HG2 VAL 44 2HG2 VAL 44 8.741 -3.833 -1.500 314 3HG2 VAL 44 3HG2 VAL 44 10.046 -3.809 -0.313 315 H SER 45 H SER 45 9.562 -1.922 -4.477 316 HA SER 45 HA SER 45 7.028 -0.575 -4.216 317 1HB SER 45 2HB SER 45 8.262 -0.124 -6.191 318 2HB SER 45 1HB SER 45 8.443 -1.841 -6.546 319 HG SER 45 HG SER 45 6.306 -1.958 -7.068 320 H GLU 46 H GLU 46 7.722 -3.488 -3.177 321 HA GLU 46 HA GLU 46 5.121 -4.475 -3.218 322 1HB GLU 46 2HB GLU 46 5.406 -4.825 -5.598 323 2HB GLU 46 1HB GLU 46 6.898 -5.713 -5.324 324 1HG GLU 46 2HG GLU 46 5.663 -7.477 -4.201 325 2HG GLU 46 1HG GLU 46 4.162 -6.578 -4.414 326 H TYR 47 H TYR 47 4.902 -6.659 -2.372 327 HA TYR 47 HA TYR 47 6.521 -7.156 -0.184 328 1HB TYR 47 2HB TYR 47 5.412 -9.347 -0.048 329 2HB TYR 47 1HB TYR 47 4.259 -8.062 -0.387 330 HD1 TYR 47 1HD TYR 47 5.675 -11.176 -1.523 331 HD2 TYR 47 2HD TYR 47 3.384 -7.802 -2.735 332 HE1 TYR 47 1HE TYR 47 4.863 -12.435 -3.474 333 HE2 TYR 47 2HE TYR 47 2.568 -9.051 -4.689 334 HH TYR 47 HH TYR 47 2.950 -12.401 -5.021 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -15.416 -2.005 7.729 2 2H GLY 1 2HT GLY 1 -15.409 -3.619 7.219 3 3H GLY 1 3HT GLY 1 -14.721 -2.420 6.243 4 1HA GLY 1 1HA GLY 1 -13.729 -3.275 8.907 5 2HA GLY 1 2HA GLY 1 -13.004 -3.699 7.364 6 H SER 2 H SER 2 -11.092 -2.681 7.373 7 HA SER 2 HA SER 2 -11.083 0.204 7.273 8 1HB SER 2 2HB SER 2 -9.383 0.486 9.029 9 2HB SER 2 1HB SER 2 -10.872 -0.188 9.690 10 HG SER 2 HG SER 2 -8.495 -1.595 9.044 11 H GLY 3 H GLY 3 -10.578 -1.073 5.124 12 1HA GLY 3 2HA GLY 3 -8.508 -0.462 3.801 13 2HA GLY 3 1HA GLY 3 -7.655 -1.460 4.969 14 H GLU 4 H GLU 4 -7.184 -2.199 2.533 15 HA GLU 4 HA GLU 4 -7.303 -3.847 0.989 16 1HB GLU 4 2HB GLU 4 -7.033 -5.776 2.067 17 2HB GLU 4 1HB GLU 4 -7.559 -4.980 3.533 18 1HG GLU 4 2HG GLU 4 -9.910 -5.642 2.933 19 2HG GLU 4 1HG GLU 4 -9.218 -6.629 1.646 20 H VAL 5 H VAL 5 -9.685 -1.977 1.412 21 HA VAL 5 HA VAL 5 -11.763 -3.606 0.121 22 HB VAL 5 HB VAL 5 -12.110 -0.852 1.264 23 1HG1 VAL 5 1HG1 VAL 5 -14.022 -3.028 0.455 24 2HG1 VAL 5 2HG1 VAL 5 -13.861 -1.414 -0.236 25 3HG1 VAL 5 3HG1 VAL 5 -14.503 -1.614 1.393 26 1HG2 VAL 5 1HG2 VAL 5 -13.243 -2.171 3.180 27 2HG2 VAL 5 2HG2 VAL 5 -11.488 -2.006 3.175 28 3HG2 VAL 5 3HG2 VAL 5 -12.232 -3.510 2.631 29 H ASN 6 H ASN 6 -9.312 -1.478 -0.657 30 HA ASN 6 HA ASN 6 -8.906 -0.032 -2.373 31 1HB ASN 6 2HB ASN 6 -9.552 -0.943 -4.577 32 2HB ASN 6 1HB ASN 6 -8.876 -2.161 -3.497 33 1HD2 ASN 6 1HD2 ASN 6 -10.028 -3.852 -2.890 34 2HD2 ASN 6 2HD2 ASN 6 -11.630 -4.196 -3.451 35 H LYS 7 H LYS 7 -10.070 1.676 -1.391 36 HA LYS 7 HA LYS 7 -12.330 2.579 -2.999 37 1HB LYS 7 2HB LYS 7 -13.368 3.354 -0.734 38 2HB LYS 7 1HB LYS 7 -13.581 1.686 -1.254 39 1HG LYS 7 2HG LYS 7 -12.268 0.855 0.390 40 2HG LYS 7 1HG LYS 7 -11.192 2.261 0.416 41 1HD LYS 7 2HD LYS 7 -12.963 3.545 1.559 42 2HD LYS 7 1HD LYS 7 -13.999 2.118 1.550 43 1HE LYS 7 2HE LYS 7 -13.006 2.243 3.704 44 2HE LYS 7 1HE LYS 7 -12.205 0.929 2.843 45 1HZ LYS 7 1HZ LYS 7 -10.362 2.406 2.363 46 2HZ LYS 7 2HZ LYS 7 -10.625 2.325 4.031 47 3HZ LYS 7 3HZ LYS 7 -11.135 3.682 3.160 48 H ILE 8 H ILE 8 -11.765 4.263 -0.020 49 HA ILE 8 HA ILE 8 -10.584 6.469 -1.477 50 HB ILE 8 HB ILE 8 -12.414 6.881 0.154 51 1HG1 ILE 8 2HG1 ILE 8 -10.655 8.604 -0.404 52 2HG1 ILE 8 1HG1 ILE 8 -11.478 8.847 1.132 53 1HG2 ILE 8 1HG2 ILE 8 -12.208 6.543 2.453 54 2HG2 ILE 8 2HG2 ILE 8 -10.464 6.311 2.357 55 3HG2 ILE 8 3HG2 ILE 8 -11.551 5.069 1.738 56 1HD1 ILE 8 1HD1 ILE 8 -8.674 7.969 0.611 57 2HD1 ILE 8 2HD1 ILE 8 -9.465 7.583 2.137 58 3HD1 ILE 8 3HD1 ILE 8 -9.270 9.265 1.647 59 H ILE 9 H ILE 9 -8.476 6.191 -1.841 60 HA ILE 9 HA ILE 9 -6.829 5.032 0.288 61 HB ILE 9 HB ILE 9 -5.101 4.789 -1.515 62 1HG1 ILE 9 2HG1 ILE 9 -7.444 5.463 -3.312 63 2HG1 ILE 9 1HG1 ILE 9 -6.049 6.500 -3.042 64 1HG2 ILE 9 1HG2 ILE 9 -5.844 2.728 -1.427 65 2HG2 ILE 9 2HG2 ILE 9 -6.970 3.114 -2.726 66 3HG2 ILE 9 3HG2 ILE 9 -7.475 3.276 -1.043 67 1HD1 ILE 9 1HD1 ILE 9 -5.974 5.246 -5.165 68 2HD1 ILE 9 2HD1 ILE 9 -5.917 3.745 -4.241 69 3HD1 ILE 9 3HD1 ILE 9 -4.604 4.916 -4.108 70 H GLY 10 H GLY 10 -4.620 5.768 0.415 71 1HA GLY 10 2HA GLY 10 -4.181 8.614 -0.164 72 2HA GLY 10 1HA GLY 10 -4.027 8.052 1.507 73 H SER 11 H SER 11 -1.931 8.988 -0.579 74 HA SER 11 HA SER 11 -0.223 6.704 -0.100 75 1HB SER 11 2HB SER 11 0.518 6.751 -2.556 76 2HB SER 11 1HB SER 11 -1.052 6.029 -2.212 77 HG SER 11 HG SER 11 -1.062 7.523 -3.988 78 H ARG 12 H ARG 12 1.260 7.628 1.027 79 HA ARG 12 HA ARG 12 3.113 9.397 -0.309 80 1HB ARG 12 2HB ARG 12 1.441 11.013 0.519 81 2HB ARG 12 1HB ARG 12 1.685 10.415 2.154 82 1HG ARG 12 2HG ARG 12 4.094 11.094 1.931 83 2HG ARG 12 1HG ARG 12 3.645 11.898 0.426 84 1HD ARG 12 2HD ARG 12 2.640 12.492 3.202 85 2HD ARG 12 1HD ARG 12 3.615 13.533 2.166 86 HE ARG 12 HE ARG 12 1.350 13.101 0.722 87 1HH1 ARG 12 1HH1 ARG 12 2.012 14.281 3.930 88 2HH1 ARG 12 2HH1 ARG 12 0.612 15.299 3.987 89 1HH2 ARG 12 1HH2 ARG 12 -0.499 14.438 0.786 90 2HH2 ARG 12 2HH2 ARG 12 -0.816 15.388 2.199 91 H THR 13 H THR 13 4.841 7.924 0.155 92 HA THR 13 HA THR 13 5.251 7.540 3.029 93 HB THR 13 HB THR 13 6.416 5.710 1.029 94 HG1 THR 13 1HG THR 13 4.638 4.497 1.060 95 1HG2 THR 13 1HG2 THR 13 6.504 4.164 2.906 96 2HG2 THR 13 2HG2 THR 13 5.746 5.380 3.932 97 3HG2 THR 13 3HG2 THR 13 7.361 5.659 3.282 98 H ALA 14 H ALA 14 7.695 6.918 0.541 99 HA ALA 14 HA ALA 14 9.217 9.195 1.535 100 1HB ALA 14 1HB ALA 14 11.168 7.811 2.126 101 2HB ALA 14 2HB ALA 14 10.191 6.366 1.864 102 3HB ALA 14 3HB ALA 14 9.768 7.495 3.151 103 H GLY 15 H GLY 15 9.740 6.179 -0.326 104 1HA GLY 15 2HA GLY 15 9.906 6.548 -2.806 105 2HA GLY 15 1HA GLY 15 10.988 7.877 -2.413 106 H GLU 16 H GLU 16 12.361 6.501 -0.285 107 HA GLU 16 HA GLU 16 14.431 5.284 -1.720 108 1HB GLU 16 2HB GLU 16 14.904 6.158 0.450 109 2HB GLU 16 1HB GLU 16 13.647 5.180 1.193 110 1HG GLU 16 2HG GLU 16 16.005 3.909 -0.143 111 2HG GLU 16 1HG GLU 16 16.103 4.502 1.515 112 H GLY 17 H GLY 17 11.510 4.052 -0.318 113 1HA GLY 17 2HA GLY 17 11.930 1.506 -1.685 114 2HA GLY 17 1HA GLY 17 11.611 1.462 0.047 115 H ALA 18 H ALA 18 9.753 3.415 0.371 116 HA ALA 18 HA ALA 18 7.554 2.619 -1.390 117 1HB ALA 18 1HB ALA 18 7.479 2.938 1.605 118 2HB ALA 18 2HB ALA 18 7.265 1.436 0.700 119 3HB ALA 18 3HB ALA 18 6.045 2.709 0.601 120 H MET 19 H MET 19 5.898 4.201 -1.764 121 HA MET 19 HA MET 19 6.194 6.833 -0.580 122 1HB MET 19 2HB MET 19 7.293 6.213 -3.115 123 2HB MET 19 1HB MET 19 5.855 7.173 -3.424 124 1HG MET 19 2HG MET 19 6.850 8.743 -1.606 125 2HG MET 19 1HG MET 19 8.352 7.907 -1.990 126 1HE MET 19 1HE MET 19 9.395 7.795 -4.412 127 2HE MET 19 2HE MET 19 8.763 8.669 -5.807 128 3HE MET 19 3HE MET 19 7.870 7.299 -5.146 129 H GLU 20 H GLU 20 4.123 4.574 -0.797 130 HA GLU 20 HA GLU 20 1.888 6.352 -1.315 131 1HB GLU 20 2HB GLU 20 2.062 3.690 -2.686 132 2HB GLU 20 1HB GLU 20 0.717 4.810 -2.799 133 1HG GLU 20 2HG GLU 20 2.540 6.424 -3.740 134 2HG GLU 20 1HG GLU 20 3.458 4.935 -4.018 135 H TYR 21 H TYR 21 -0.258 4.957 -0.934 136 HA TYR 21 HA TYR 21 -0.062 2.939 1.050 137 1HB TYR 21 2HB TYR 21 0.313 4.462 2.662 138 2HB TYR 21 1HB TYR 21 -0.424 5.768 1.777 139 HD1 TYR 21 1HD TYR 21 -2.081 6.750 2.885 140 HD2 TYR 21 2HD TYR 21 -1.687 2.522 3.264 141 HE1 TYR 21 1HE TYR 21 -4.054 6.712 4.305 142 HE2 TYR 21 2HE TYR 21 -3.670 2.480 4.722 143 HH TYR 21 HH TYR 21 -4.925 4.031 6.192 144 H LEU 22 H LEU 22 -1.323 2.711 -1.325 145 HA LEU 22 HA LEU 22 -4.122 3.049 -0.584 146 1HB LEU 22 2HB LEU 22 -4.668 2.973 -2.979 147 2HB LEU 22 1HB LEU 22 -3.569 4.279 -2.583 148 HG LEU 22 HG LEU 22 -1.867 2.224 -3.272 149 1HD1 LEU 22 1HD1 LEU 22 -4.066 2.229 -5.321 150 2HD1 LEU 22 2HD1 LEU 22 -3.965 1.012 -4.051 151 3HD1 LEU 22 3HD1 LEU 22 -2.657 1.172 -5.223 152 1HD2 LEU 22 1HD2 LEU 22 -2.996 4.374 -5.060 153 2HD2 LEU 22 2HD2 LEU 22 -1.458 3.535 -5.272 154 3HD2 LEU 22 3HD2 LEU 22 -1.700 4.596 -3.884 155 H ILE 23 H ILE 23 -5.201 1.614 0.132 156 HA ILE 23 HA ILE 23 -4.643 -1.034 0.163 157 HB ILE 23 HB ILE 23 -6.947 -1.380 0.847 158 1HG1 ILE 23 2HG1 ILE 23 -7.234 1.481 -0.071 159 2HG1 ILE 23 1HG1 ILE 23 -8.152 0.079 -0.610 160 1HG2 ILE 23 1HG2 ILE 23 -5.817 1.146 2.039 161 2HG2 ILE 23 2HG2 ILE 23 -5.154 -0.457 2.349 162 3HG2 ILE 23 3HG2 ILE 23 -6.804 -0.076 2.842 163 1HD1 ILE 23 1HD1 ILE 23 -9.412 1.555 0.904 164 2HD1 ILE 23 2HD1 ILE 23 -8.230 1.207 2.170 165 3HD1 ILE 23 3HD1 ILE 23 -9.237 -0.088 1.521 166 H GLU 24 H GLU 24 -5.877 0.775 -2.452 167 HA GLU 24 HA GLU 24 -7.309 -1.258 -3.751 168 1HB GLU 24 2HB GLU 24 -7.630 1.054 -4.352 169 2HB GLU 24 1HB GLU 24 -5.955 1.185 -4.873 170 1HG GLU 24 2HG GLU 24 -6.345 -0.243 -6.735 171 2HG GLU 24 1HG GLU 24 -7.944 -0.680 -6.139 172 H TRP 25 H TRP 25 -5.594 -2.889 -3.101 173 HA TRP 25 HA TRP 25 -4.053 -3.451 -5.502 174 1HB TRP 25 2HB TRP 25 -2.243 -4.356 -3.767 175 2HB TRP 25 1HB TRP 25 -2.192 -2.725 -4.414 176 HD1 TRP 25 HD TRP 25 -4.221 -4.128 -1.369 177 HE1 TRP 25 1HE TRP 25 -3.625 -2.644 0.665 178 HE3 TRP 25 3HE TRP 25 -0.841 -0.977 -3.531 179 HZ2 TRP 25 2HZ TRP 25 -2.010 -0.479 1.242 180 HZ3 TRP 25 3HZ TRP 25 0.256 0.763 -2.135 181 HH2 TRP 25 HH TRP 25 -0.336 1.035 0.192 182 H LYS 26 H LYS 26 -6.507 -4.427 -4.357 183 HA LYS 26 HA LYS 26 -7.625 -6.379 -4.135 184 1HB LYS 26 2HB LYS 26 -5.050 -7.538 -5.209 185 2HB LYS 26 1HB LYS 26 -6.563 -8.421 -5.056 186 1HG LYS 26 2HG LYS 26 -7.631 -6.939 -6.639 187 2HG LYS 26 1HG LYS 26 -6.169 -5.958 -6.742 188 1HD LYS 26 2HD LYS 26 -6.348 -8.871 -7.505 189 2HD LYS 26 1HD LYS 26 -6.430 -7.523 -8.643 190 1HE LYS 26 2HE LYS 26 -4.111 -8.157 -6.819 191 2HE LYS 26 1HE LYS 26 -4.184 -8.499 -8.547 192 1HZ LYS 26 1HZ LYS 26 -4.270 -5.806 -7.298 193 2HZ LYS 26 2HZ LYS 26 -4.388 -6.114 -8.957 194 3HZ LYS 26 3HZ LYS 26 -2.957 -6.476 -8.130 195 H ASP 27 H ASP 27 -6.167 -5.345 -1.849 196 HA ASP 27 HA ASP 27 -5.432 -5.967 0.227 197 1HB ASP 27 2HB ASP 27 -6.794 -7.694 1.297 198 2HB ASP 27 1HB ASP 27 -7.797 -6.634 0.314 199 H GLY 28 H GLY 28 -3.872 -7.022 -2.033 200 1HA GLY 28 2HA GLY 28 -3.093 -9.644 -1.860 201 2HA GLY 28 1HA GLY 28 -1.988 -8.333 -2.231 202 H HIS 29 H HIS 29 -1.489 -7.001 -0.056 203 HA HIS 29 HA HIS 29 -1.013 -8.900 2.084 204 1HB HIS 29 2HB HIS 29 1.055 -8.799 0.631 205 2HB HIS 29 1HB HIS 29 1.226 -7.100 1.072 206 HD1 HIS 29 1HD HIS 29 1.555 -10.561 2.459 207 HD2 HIS 29 2HD HIS 29 2.158 -6.630 3.659 208 HE1 HIS 29 1HE HIS 29 2.848 -10.706 4.611 209 HE2 HIS 29 2HE HIS 29 3.117 -8.318 5.367 210 H SER 30 H SER 30 -2.496 -7.915 3.304 211 HA SER 30 HA SER 30 -3.478 -6.382 4.673 212 1HB SER 30 2HB SER 30 -0.566 -5.826 5.198 213 2HB SER 30 1HB SER 30 -1.906 -5.484 6.307 214 HG SER 30 HG SER 30 -2.015 -7.538 6.822 215 HA PRO 31 HA PRO 31 -4.050 -2.216 2.491 216 1HB PRO 31 2HB PRO 31 -4.908 -1.583 5.237 217 2HB PRO 31 1HB PRO 31 -5.862 -1.579 3.763 218 1HG PRO 31 2HG PRO 31 -5.666 -3.639 5.816 219 2HG PRO 31 1HG PRO 31 -6.848 -3.479 4.514 220 1HD PRO 31 2HD PRO 31 -5.044 -5.463 4.536 221 2HD PRO 31 1HD PRO 31 -5.547 -4.702 3.010 222 H SER 32 H SER 32 -1.904 -1.792 2.326 223 HA SER 32 HA SER 32 -0.462 -1.097 4.804 224 1HB SER 32 2HB SER 32 0.444 -3.060 3.657 225 2HB SER 32 1HB SER 32 0.678 -2.093 2.197 226 HG SER 32 HG SER 32 2.294 -2.343 4.306 227 H TRP 33 H TRP 33 1.308 0.408 4.581 228 HA TRP 33 HA TRP 33 0.527 2.587 2.805 229 1HB TRP 33 2HB TRP 33 0.857 2.892 5.315 230 2HB TRP 33 1HB TRP 33 2.562 2.541 5.075 231 HD1 TRP 33 HD TRP 33 3.885 4.370 3.444 232 HE1 TRP 33 1HE TRP 33 3.550 6.906 3.298 233 HE3 TRP 33 3HE TRP 33 -0.730 4.746 5.619 234 HZ2 TRP 33 2HZ TRP 33 1.608 8.830 3.989 235 HZ3 TRP 33 3HZ TRP 33 -1.753 6.976 5.829 236 HH2 TRP 33 HH TRP 33 -0.607 8.973 5.009 237 H VAL 34 H VAL 34 1.299 1.765 0.891 238 HA VAL 34 HA VAL 34 4.135 1.950 0.521 239 HB VAL 34 HB VAL 34 2.797 -0.602 0.818 240 1HG1 VAL 34 1HG1 VAL 34 4.499 -0.482 -1.636 241 2HG1 VAL 34 2HG1 VAL 34 2.749 -0.553 -1.631 242 3HG1 VAL 34 3HG1 VAL 34 3.684 -1.847 -0.941 243 1HG2 VAL 34 1HG2 VAL 34 5.695 -0.437 0.437 244 2HG2 VAL 34 2HG2 VAL 34 4.761 -1.148 1.744 245 3HG2 VAL 34 3HG2 VAL 34 5.028 0.589 1.700 246 HA PRO 35 HA PRO 35 3.476 3.111 -3.674 247 1HB PRO 35 2HB PRO 35 5.446 1.725 -4.903 248 2HB PRO 35 1HB PRO 35 5.697 3.153 -3.895 249 1HG PRO 35 2HG PRO 35 5.870 0.260 -3.113 250 2HG PRO 35 1HG PRO 35 7.068 1.545 -2.857 251 1HD PRO 35 2HD PRO 35 5.453 0.897 -0.905 252 2HD PRO 35 1HD PRO 35 5.705 2.588 -1.263 253 H SER 36 H SER 36 1.376 1.727 -3.715 254 HA SER 36 HA SER 36 0.028 0.776 -5.313 255 1HB SER 36 2HB SER 36 2.520 -0.006 -6.829 256 2HB SER 36 1HB SER 36 0.868 0.038 -7.440 257 HG SER 36 HG SER 36 1.587 1.952 -8.068 258 H SER 37 H SER 37 1.676 -0.711 -3.120 259 HA SER 37 HA SER 37 0.233 -3.111 -3.518 260 1HB SER 37 2HB SER 37 3.203 -3.603 -3.447 261 2HB SER 37 1HB SER 37 1.907 -4.722 -3.830 262 HG SER 37 HG SER 37 3.297 -3.496 -5.555 263 H TYR 38 H TYR 38 3.111 -3.666 -1.723 264 HA TYR 38 HA TYR 38 2.404 -2.661 0.789 265 1HB TYR 38 2HB TYR 38 2.009 -5.354 1.340 266 2HB TYR 38 1HB TYR 38 0.776 -4.108 1.394 267 HD1 TYR 38 1HD TYR 38 -1.031 -4.181 -0.073 268 HD2 TYR 38 2HD TYR 38 2.424 -6.493 -0.933 269 HE1 TYR 38 1HE TYR 38 -2.182 -5.164 -2.009 270 HE2 TYR 38 2HE TYR 38 1.276 -7.511 -2.864 271 HH TYR 38 HH TYR 38 -1.652 -6.254 -4.110 272 H ILE 39 H ILE 39 4.281 -2.926 2.030 273 HA ILE 39 HA ILE 39 6.136 -5.002 1.256 274 HB ILE 39 HB ILE 39 7.739 -3.789 0.198 275 1HG1 ILE 39 2HG1 ILE 39 6.904 -1.378 1.830 276 2HG1 ILE 39 1HG1 ILE 39 8.424 -2.256 1.910 277 1HG2 ILE 39 1HG2 ILE 39 6.711 -2.011 -1.235 278 2HG2 ILE 39 2HG2 ILE 39 5.275 -2.167 -0.229 279 3HG2 ILE 39 3HG2 ILE 39 5.815 -3.531 -1.176 280 1HD1 ILE 39 1HD1 ILE 39 8.745 -1.481 -0.521 281 2HD1 ILE 39 2HD1 ILE 39 9.005 -0.336 0.792 282 3HD1 ILE 39 3HD1 ILE 39 7.508 -0.292 -0.133 283 H ALA 40 H ALA 40 4.662 -4.251 3.614 284 HA ALA 40 HA ALA 40 6.331 -2.940 5.468 285 1HB ALA 40 1HB ALA 40 4.866 -3.837 7.145 286 2HB ALA 40 2HB ALA 40 4.260 -5.048 6.013 287 3HB ALA 40 3HB ALA 40 3.923 -3.339 5.739 288 H ALA 41 H ALA 41 8.384 -3.680 5.220 289 HA ALA 41 HA ALA 41 9.602 -5.337 6.893 290 1HB ALA 41 1HB ALA 41 8.596 -7.017 4.604 291 2HB ALA 41 2HB ALA 41 8.396 -7.293 6.336 292 3HB ALA 41 3HB ALA 41 9.981 -7.486 5.589 293 H ASP 42 H ASP 42 10.140 -3.089 5.257 294 HA ASP 42 HA ASP 42 11.757 -2.105 4.015 295 1HB ASP 42 2HB ASP 42 13.316 -4.522 4.945 296 2HB ASP 42 1HB ASP 42 14.028 -3.084 4.215 297 H VAL 43 H VAL 43 10.702 -2.325 1.990 298 HA VAL 43 HA VAL 43 12.245 -3.920 0.110 299 HB VAL 43 HB VAL 43 9.412 -4.194 -0.534 300 1HG1 VAL 43 1HG1 VAL 43 11.712 -6.125 -0.362 301 2HG1 VAL 43 2HG1 VAL 43 11.149 -5.273 -1.801 302 3HG1 VAL 43 3HG1 VAL 43 10.127 -6.493 -1.041 303 1HG2 VAL 43 1HG2 VAL 43 9.172 -4.488 1.880 304 2HG2 VAL 43 2HG2 VAL 43 10.458 -5.695 1.869 305 3HG2 VAL 43 3HG2 VAL 43 8.937 -6.019 1.036 306 H VAL 44 H VAL 44 10.326 -3.487 -2.098 307 HA VAL 44 HA VAL 44 9.850 -0.648 -2.147 308 HB VAL 44 HB VAL 44 12.236 -0.658 -2.581 309 1HG1 VAL 44 1HG1 VAL 44 11.613 -2.370 -4.985 310 2HG1 VAL 44 2HG1 VAL 44 12.376 -2.942 -3.501 311 3HG1 VAL 44 3HG1 VAL 44 13.196 -1.752 -4.512 312 1HG2 VAL 44 1HG2 VAL 44 12.238 0.559 -4.712 313 2HG2 VAL 44 2HG2 VAL 44 10.887 1.038 -3.685 314 3HG2 VAL 44 3HG2 VAL 44 10.616 -0.043 -5.051 315 H SER 45 H SER 45 8.038 -0.356 -3.195 316 HA SER 45 HA SER 45 6.387 -0.422 -4.746 317 1HB SER 45 2HB SER 45 8.242 -0.019 -6.319 318 2HB SER 45 1HB SER 45 8.458 -1.761 -6.494 319 HG SER 45 HG SER 45 7.157 -1.193 -8.152 320 H GLU 46 H GLU 46 7.297 -3.017 -3.135 321 HA GLU 46 HA GLU 46 5.015 -4.529 -3.656 322 1HB GLU 46 2HB GLU 46 6.133 -4.965 -5.835 323 2HB GLU 46 1HB GLU 46 7.468 -5.710 -4.972 324 1HG GLU 46 2HG GLU 46 5.992 -7.430 -4.117 325 2HG GLU 46 1HG GLU 46 4.616 -6.665 -4.912 326 H TYR 47 H TYR 47 4.876 -6.491 -2.444 327 HA TYR 47 HA TYR 47 6.368 -6.421 -0.024 328 1HB TYR 47 2HB TYR 47 4.024 -7.168 -0.080 329 2HB TYR 47 1HB TYR 47 4.486 -8.549 -1.070 330 HD1 TYR 47 1HD TYR 47 5.807 -7.026 2.085 331 HD2 TYR 47 2HD TYR 47 4.385 -10.518 0.114 332 HE1 TYR 47 1HE TYR 47 6.219 -8.338 4.125 333 HE2 TYR 47 2HE TYR 47 4.791 -11.839 2.149 334 HH TYR 47 HH TYR 47 5.468 -10.407 5.167 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -12.688 -1.620 12.289 2 2H GLY 1 2HT GLY 1 -13.671 -0.915 11.105 3 3H GLY 1 3HT GLY 1 -12.091 -0.357 11.333 4 1HA GLY 1 1HA GLY 1 -11.200 -2.483 10.604 5 2HA GLY 1 2HA GLY 1 -12.841 -3.063 10.368 6 H SER 2 H SER 2 -10.246 -1.225 9.059 7 HA SER 2 HA SER 2 -11.725 -0.985 6.542 8 1HB SER 2 2HB SER 2 -11.894 1.212 7.610 9 2HB SER 2 1HB SER 2 -10.143 1.266 7.808 10 HG SER 2 HG SER 2 -11.025 2.402 5.931 11 H GLY 3 H GLY 3 -10.544 -1.453 4.763 12 1HA GLY 3 2HA GLY 3 -8.091 -1.100 3.941 13 2HA GLY 3 1HA GLY 3 -7.761 -2.258 5.221 14 H GLU 4 H GLU 4 -7.214 -2.571 2.402 15 HA GLU 4 HA GLU 4 -7.350 -4.169 0.799 16 1HB GLU 4 2HB GLU 4 -7.184 -6.138 1.789 17 2HB GLU 4 1HB GLU 4 -7.898 -5.474 3.248 18 1HG GLU 4 2HG GLU 4 -10.136 -6.064 2.396 19 2HG GLU 4 1HG GLU 4 -9.381 -6.783 0.973 20 H VAL 5 H VAL 5 -9.924 -2.376 1.647 21 HA VAL 5 HA VAL 5 -12.035 -3.649 0.195 22 HB VAL 5 HB VAL 5 -11.780 -0.771 1.025 23 1HG1 VAL 5 1HG1 VAL 5 -13.588 -1.163 -0.529 24 2HG1 VAL 5 2HG1 VAL 5 -14.257 -0.863 1.075 25 3HG1 VAL 5 3HG1 VAL 5 -14.181 -2.508 0.445 26 1HG2 VAL 5 1HG2 VAL 5 -11.397 -2.147 2.974 27 2HG2 VAL 5 2HG2 VAL 5 -12.830 -3.111 2.619 28 3HG2 VAL 5 3HG2 VAL 5 -12.999 -1.418 3.081 29 H ASN 6 H ASN 6 -9.815 -0.984 -0.297 30 HA ASN 6 HA ASN 6 -8.844 -0.140 -2.188 31 1HB ASN 6 2HB ASN 6 -10.735 -1.404 -4.107 32 2HB ASN 6 1HB ASN 6 -9.002 -1.155 -4.219 33 1HD2 ASN 6 1HD2 ASN 6 -7.802 -2.499 -2.433 34 2HD2 ASN 6 2HD2 ASN 6 -8.245 -4.166 -2.391 35 H LYS 7 H LYS 7 -9.952 1.637 -1.091 36 HA LYS 7 HA LYS 7 -11.870 2.919 -2.854 37 1HB LYS 7 2HB LYS 7 -13.340 3.324 -0.734 38 2HB LYS 7 1HB LYS 7 -13.453 1.790 -1.591 39 1HG LYS 7 2HG LYS 7 -12.625 0.622 0.111 40 2HG LYS 7 1HG LYS 7 -11.363 1.822 0.487 41 1HD LYS 7 2HD LYS 7 -12.989 1.524 2.332 42 2HD LYS 7 1HD LYS 7 -13.050 3.160 1.680 43 1HE LYS 7 2HE LYS 7 -15.041 2.636 0.427 44 2HE LYS 7 1HE LYS 7 -14.944 0.945 0.914 45 1HZ LYS 7 1HZ LYS 7 -16.572 2.130 2.231 46 2HZ LYS 7 2HZ LYS 7 -15.407 3.252 2.727 47 3HZ LYS 7 3HZ LYS 7 -15.284 1.637 3.213 48 H ILE 8 H ILE 8 -11.987 4.050 0.389 49 HA ILE 8 HA ILE 8 -10.747 6.539 -0.297 50 HB ILE 8 HB ILE 8 -12.778 6.404 1.069 51 1HG1 ILE 8 2HG1 ILE 8 -11.134 8.310 1.296 52 2HG1 ILE 8 1HG1 ILE 8 -12.213 8.081 2.665 53 1HG2 ILE 8 1HG2 ILE 8 -11.416 5.558 3.518 54 2HG2 ILE 8 2HG2 ILE 8 -11.606 4.298 2.298 55 3HG2 ILE 8 3HG2 ILE 8 -13.021 5.157 2.909 56 1HD1 ILE 8 1HD1 ILE 8 -10.178 8.472 3.668 57 2HD1 ILE 8 2HD1 ILE 8 -9.286 7.551 2.459 58 3HD1 ILE 8 3HD1 ILE 8 -10.263 6.710 3.662 59 H ILE 9 H ILE 9 -8.566 6.294 -0.489 60 HA ILE 9 HA ILE 9 -7.159 5.816 1.964 61 HB ILE 9 HB ILE 9 -7.641 3.607 0.944 62 1HG1 ILE 9 2HG1 ILE 9 -5.557 2.656 1.570 63 2HG1 ILE 9 1HG1 ILE 9 -4.680 4.123 1.180 64 1HG2 ILE 9 1HG2 ILE 9 -6.014 2.981 -0.923 65 2HG2 ILE 9 2HG2 ILE 9 -5.943 4.717 -1.210 66 3HG2 ILE 9 3HG2 ILE 9 -7.480 3.868 -1.309 67 1HD1 ILE 9 1HD1 ILE 9 -5.242 5.118 3.140 68 2HD1 ILE 9 2HD1 ILE 9 -5.304 3.429 3.651 69 3HD1 ILE 9 3HD1 ILE 9 -6.790 4.283 3.244 70 H GLY 10 H GLY 10 -4.626 5.926 1.447 71 1HA GLY 10 2HA GLY 10 -4.249 8.134 -0.447 72 2HA GLY 10 1HA GLY 10 -3.711 8.303 1.218 73 H SER 11 H SER 11 -1.818 8.635 -0.656 74 HA SER 11 HA SER 11 -0.181 6.294 -0.257 75 1HB SER 11 2HB SER 11 0.385 6.290 -2.755 76 2HB SER 11 1HB SER 11 -1.182 5.627 -2.304 77 HG SER 11 HG SER 11 -2.122 7.589 -2.909 78 H ARG 12 H ARG 12 1.410 7.407 0.809 79 HA ARG 12 HA ARG 12 3.240 8.850 -0.853 80 1HB ARG 12 2HB ARG 12 1.665 10.659 -0.287 81 2HB ARG 12 1HB ARG 12 1.936 10.352 1.423 82 1HG ARG 12 2HG ARG 12 4.264 10.995 1.194 83 2HG ARG 12 1HG ARG 12 4.041 11.242 -0.539 84 1HD ARG 12 2HD ARG 12 2.399 13.000 -0.068 85 2HD ARG 12 1HD ARG 12 2.641 12.758 1.662 86 HE ARG 12 HE ARG 12 5.124 13.291 0.489 87 1HH1 ARG 12 1HH1 ARG 12 2.099 14.887 1.143 88 2HH1 ARG 12 2HH1 ARG 12 2.805 16.463 1.255 89 1HH2 ARG 12 1HH2 ARG 12 6.066 15.362 0.633 90 2HH2 ARG 12 2HH2 ARG 12 5.063 16.735 0.964 91 H THR 13 H THR 13 4.825 7.235 -0.144 92 HA THR 13 HA THR 13 5.357 7.383 2.695 93 HB THR 13 HB THR 13 6.940 5.469 1.205 94 HG1 THR 13 1HG THR 13 5.295 4.294 0.467 95 1HG2 THR 13 1HG2 THR 13 6.017 4.037 3.119 96 2HG2 THR 13 2HG2 THR 13 5.418 5.566 3.766 97 3HG2 THR 13 3HG2 THR 13 7.146 5.332 3.507 98 H ALA 14 H ALA 14 7.719 6.783 0.121 99 HA ALA 14 HA ALA 14 9.166 9.178 0.961 100 1HB ALA 14 1HB ALA 14 11.208 7.991 1.563 101 2HB ALA 14 2HB ALA 14 10.383 6.449 1.330 102 3HB ALA 14 3HB ALA 14 9.866 7.541 2.616 103 H GLY 15 H GLY 15 9.652 6.130 -0.839 104 1HA GLY 15 2HA GLY 15 9.727 6.403 -3.322 105 2HA GLY 15 1HA GLY 15 10.778 7.784 -3.034 106 H GLU 16 H GLU 16 12.457 6.810 -1.100 107 HA GLU 16 HA GLU 16 14.352 5.370 -2.572 108 1HB GLU 16 2HB GLU 16 15.065 6.691 -0.701 109 2HB GLU 16 1HB GLU 16 14.009 5.811 0.396 110 1HG GLU 16 2HG GLU 16 15.371 3.811 0.116 111 2HG GLU 16 1HG GLU 16 16.417 4.673 -1.011 112 H GLY 17 H GLY 17 11.766 4.413 -0.458 113 1HA GLY 17 2HA GLY 17 12.224 1.604 -1.214 114 2HA GLY 17 1HA GLY 17 11.835 2.040 0.447 115 H ALA 18 H ALA 18 9.803 3.421 0.655 116 HA ALA 18 HA ALA 18 7.771 2.354 -1.136 117 1HB ALA 18 1HB ALA 18 7.617 1.643 1.283 118 2HB ALA 18 2HB ALA 18 6.149 2.374 0.623 119 3HB ALA 18 3HB ALA 18 7.236 3.325 1.648 120 H MET 19 H MET 19 5.916 3.736 -1.659 121 HA MET 19 HA MET 19 6.223 6.544 -1.052 122 1HB MET 19 2HB MET 19 7.386 5.530 -3.400 123 2HB MET 19 1HB MET 19 5.930 6.369 -3.922 124 1HG MET 19 2HG MET 19 7.939 7.598 -2.083 125 2HG MET 19 1HG MET 19 8.053 7.727 -3.835 126 1HE MET 19 1HE MET 19 6.251 8.985 -5.343 127 2HE MET 19 2HE MET 19 4.759 9.673 -4.698 128 3HE MET 19 3HE MET 19 5.008 7.926 -4.676 129 H GLU 20 H GLU 20 4.118 4.215 -1.066 130 HA GLU 20 HA GLU 20 1.911 5.996 -1.589 131 1HB GLU 20 2HB GLU 20 2.232 3.464 -3.160 132 2HB GLU 20 1HB GLU 20 0.715 4.322 -3.037 133 1HG GLU 20 2HG GLU 20 2.208 6.318 -3.881 134 2HG GLU 20 1HG GLU 20 3.223 4.998 -4.476 135 H TYR 21 H TYR 21 -0.279 4.526 -1.116 136 HA TYR 21 HA TYR 21 0.156 2.523 0.857 137 1HB TYR 21 2HB TYR 21 0.603 4.046 2.406 138 2HB TYR 21 1HB TYR 21 -0.207 5.332 1.572 139 HD1 TYR 21 1HD TYR 21 -1.844 6.328 2.705 140 HD2 TYR 21 2HD TYR 21 -1.235 2.168 3.402 141 HE1 TYR 21 1HE TYR 21 -3.600 6.367 4.399 142 HE2 TYR 21 2HE TYR 21 -2.996 2.204 5.116 143 HH TYR 21 HH TYR 21 -4.105 3.816 6.594 144 H LEU 22 H LEU 22 -1.704 3.395 -1.530 145 HA LEU 22 HA LEU 22 -4.194 3.063 -0.272 146 1HB LEU 22 2HB LEU 22 -5.027 3.229 -2.696 147 2HB LEU 22 1HB LEU 22 -4.264 4.626 -1.962 148 HG LEU 22 HG LEU 22 -2.240 4.276 -3.179 149 1HD1 LEU 22 1HD1 LEU 22 -3.486 1.687 -4.036 150 2HD1 LEU 22 2HD1 LEU 22 -1.962 1.938 -3.190 151 3HD1 LEU 22 3HD1 LEU 22 -2.124 2.419 -4.879 152 1HD2 LEU 22 1HD2 LEU 22 -4.605 3.911 -5.007 153 2HD2 LEU 22 2HD2 LEU 22 -3.024 4.543 -5.466 154 3HD2 LEU 22 3HD2 LEU 22 -4.042 5.444 -4.341 155 H ILE 23 H ILE 23 -5.303 1.570 0.155 156 HA ILE 23 HA ILE 23 -5.058 -1.059 -0.178 157 HB ILE 23 HB ILE 23 -7.636 0.473 -0.173 158 1HG1 ILE 23 2HG1 ILE 23 -6.668 -0.692 2.335 159 2HG1 ILE 23 1HG1 ILE 23 -5.669 0.626 1.744 160 1HG2 ILE 23 1HG2 ILE 23 -6.937 -2.351 0.510 161 2HG2 ILE 23 2HG2 ILE 23 -8.075 -1.769 -0.701 162 3HG2 ILE 23 3HG2 ILE 23 -8.431 -1.567 1.006 163 1HD1 ILE 23 1HD1 ILE 23 -8.463 0.637 2.730 164 2HD1 ILE 23 2HD1 ILE 23 -8.022 1.792 1.475 165 3HD1 ILE 23 3HD1 ILE 23 -7.156 1.787 3.011 166 H GLU 24 H GLU 24 -6.087 1.258 -2.512 167 HA GLU 24 HA GLU 24 -7.630 0.268 -4.352 168 1HB GLU 24 2HB GLU 24 -6.024 2.263 -4.438 169 2HB GLU 24 1HB GLU 24 -4.899 1.151 -5.208 170 1HG GLU 24 2HG GLU 24 -6.555 0.716 -6.976 171 2HG GLU 24 1HG GLU 24 -7.633 1.890 -6.224 172 H TRP 25 H TRP 25 -4.464 -1.123 -3.697 173 HA TRP 25 HA TRP 25 -4.250 -2.878 -5.834 174 1HB TRP 25 2HB TRP 25 -3.082 -4.368 -3.959 175 2HB TRP 25 1HB TRP 25 -2.340 -2.897 -4.550 176 HD1 TRP 25 HD TRP 25 -4.654 -3.909 -1.559 177 HE1 TRP 25 1HE TRP 25 -3.878 -2.522 0.477 178 HE3 TRP 25 3HE TRP 25 -0.981 -1.097 -3.746 179 HZ2 TRP 25 2HZ TRP 25 -2.032 -0.570 1.080 180 HZ3 TRP 25 3HZ TRP 25 0.305 0.459 -2.321 181 HH2 TRP 25 HH TRP 25 -0.215 0.765 0.017 182 H LYS 26 H LYS 26 -4.270 -5.529 -4.674 183 HA LYS 26 HA LYS 26 -7.174 -5.845 -4.362 184 1HB LYS 26 2HB LYS 26 -6.728 -8.183 -5.332 185 2HB LYS 26 1HB LYS 26 -6.683 -6.815 -6.434 186 1HG LYS 26 2HG LYS 26 -4.146 -7.734 -5.176 187 2HG LYS 26 1HG LYS 26 -4.837 -8.663 -6.507 188 1HD LYS 26 2HD LYS 26 -4.810 -6.703 -7.932 189 2HD LYS 26 1HD LYS 26 -4.226 -5.707 -6.598 190 1HE LYS 26 2HE LYS 26 -2.180 -7.064 -6.502 191 2HE LYS 26 1HE LYS 26 -2.765 -8.023 -7.861 192 1HZ LYS 26 1HZ LYS 26 -2.742 -6.033 -9.230 193 2HZ LYS 26 2HZ LYS 26 -1.207 -6.325 -8.581 194 3HZ LYS 26 3HZ LYS 26 -2.184 -5.111 -7.925 195 H ASP 27 H ASP 27 -6.027 -5.383 -2.074 196 HA ASP 27 HA ASP 27 -5.424 -6.163 -0.011 197 1HB ASP 27 2HB ASP 27 -6.870 -7.948 0.825 198 2HB ASP 27 1HB ASP 27 -7.793 -6.808 -0.149 199 H GLY 28 H GLY 28 -3.715 -7.072 -2.239 200 1HA GLY 28 2HA GLY 28 -2.974 -9.721 -2.152 201 2HA GLY 28 1HA GLY 28 -1.845 -8.406 -2.423 202 H HIS 29 H HIS 29 -1.318 -7.183 -0.234 203 HA HIS 29 HA HIS 29 -1.067 -9.143 1.901 204 1HB HIS 29 2HB HIS 29 1.320 -7.437 1.142 205 2HB HIS 29 1HB HIS 29 1.250 -8.805 2.246 206 HD1 HIS 29 1HD HIS 29 0.498 -11.154 0.930 207 HD2 HIS 29 2HD HIS 29 2.316 -8.138 -1.273 208 HE1 HIS 29 1HE HIS 29 1.384 -12.275 -1.139 209 HE2 HIS 29 2HE HIS 29 2.591 -10.454 -2.392 210 H SER 30 H SER 30 -2.513 -8.117 3.110 211 HA SER 30 HA SER 30 -3.436 -6.579 4.507 212 1HB SER 30 2HB SER 30 -1.483 -7.431 5.720 213 2HB SER 30 1HB SER 30 -0.517 -6.100 5.062 214 HG SER 30 HG SER 30 -2.085 -6.107 7.224 215 HA PRO 31 HA PRO 31 -3.852 -2.421 2.324 216 1HB PRO 31 2HB PRO 31 -4.786 -1.734 5.009 217 2HB PRO 31 1HB PRO 31 -5.706 -1.796 3.510 218 1HG PRO 31 2HG PRO 31 -5.439 -3.835 5.619 219 2HG PRO 31 1HG PRO 31 -6.695 -3.658 4.394 220 1HD PRO 31 2HD PRO 31 -4.978 -5.664 4.237 221 2HD PRO 31 1HD PRO 31 -5.430 -4.790 2.756 222 H SER 32 H SER 32 -1.741 -1.901 2.170 223 HA SER 32 HA SER 32 -0.322 -1.228 4.664 224 1HB SER 32 2HB SER 32 0.548 -3.288 3.632 225 2HB SER 32 1HB SER 32 0.859 -2.391 2.139 226 HG SER 32 HG SER 32 2.567 -1.508 3.021 227 H TRP 33 H TRP 33 1.709 -0.036 4.171 228 HA TRP 33 HA TRP 33 1.026 2.208 2.440 229 1HB TRP 33 2HB TRP 33 1.449 2.417 4.987 230 2HB TRP 33 1HB TRP 33 3.152 2.165 4.602 231 HD1 TRP 33 HD TRP 33 4.107 3.964 2.706 232 HE1 TRP 33 1HE TRP 33 3.666 6.480 2.556 233 HE3 TRP 33 3HE TRP 33 -0.105 4.253 5.577 234 HZ2 TRP 33 2HZ TRP 33 1.799 8.358 3.487 235 HZ3 TRP 33 3HZ TRP 33 -1.169 6.455 5.883 236 HH2 TRP 33 HH TRP 33 -0.238 8.464 4.841 237 H VAL 34 H VAL 34 1.813 1.681 0.499 238 HA VAL 34 HA VAL 34 4.679 1.170 0.107 239 HB VAL 34 HB VAL 34 3.595 -1.107 0.366 240 1HG1 VAL 34 1HG1 VAL 34 1.502 0.255 -0.745 241 2HG1 VAL 34 2HG1 VAL 34 1.543 -1.459 -0.423 242 3HG1 VAL 34 3HG1 VAL 34 1.970 -0.851 -2.013 243 1HG2 VAL 34 1HG2 VAL 34 5.361 -1.051 -1.275 244 2HG2 VAL 34 2HG2 VAL 34 4.264 -0.403 -2.490 245 3HG2 VAL 34 3HG2 VAL 34 4.043 -2.038 -1.891 246 HA PRO 35 HA PRO 35 4.295 3.623 -3.594 247 1HB PRO 35 2HB PRO 35 5.670 1.388 -4.952 248 2HB PRO 35 1HB PRO 35 6.076 3.108 -4.933 249 1HG PRO 35 2HG PRO 35 7.448 1.313 -3.527 250 2HG PRO 35 1HG PRO 35 7.132 2.938 -2.883 251 1HD PRO 35 2HD PRO 35 5.946 0.360 -2.194 252 2HD PRO 35 1HD PRO 35 6.163 1.738 -1.165 253 H SER 36 H SER 36 2.961 0.430 -3.571 254 HA SER 36 HA SER 36 0.897 0.973 -5.307 255 1HB SER 36 2HB SER 36 1.632 -0.314 -7.365 256 2HB SER 36 1HB SER 36 2.382 1.264 -7.142 257 HG SER 36 HG SER 36 4.240 0.275 -6.455 258 H SER 37 H SER 37 2.919 -1.436 -3.795 259 HA SER 37 HA SER 37 0.748 -3.362 -4.166 260 1HB SER 37 2HB SER 37 3.670 -3.619 -4.216 261 2HB SER 37 1HB SER 37 2.843 -4.865 -3.289 262 HG SER 37 HG SER 37 1.554 -5.265 -5.148 263 H TYR 38 H TYR 38 3.276 -3.777 -1.767 264 HA TYR 38 HA TYR 38 2.061 -2.752 0.546 265 1HB TYR 38 2HB TYR 38 1.707 -5.541 1.011 266 2HB TYR 38 1HB TYR 38 0.539 -4.249 1.218 267 HD1 TYR 38 1HD TYR 38 -1.372 -4.375 0.064 268 HD2 TYR 38 2HD TYR 38 2.072 -6.277 -1.519 269 HE1 TYR 38 1HE TYR 38 -2.742 -5.289 -1.782 270 HE2 TYR 38 2HE TYR 38 0.730 -7.199 -3.377 271 HH TYR 38 HH TYR 38 -2.479 -6.161 -4.015 272 H ILE 39 H ILE 39 3.719 -2.592 1.883 273 HA ILE 39 HA ILE 39 5.680 -4.746 1.915 274 HB ILE 39 HB ILE 39 7.518 -3.438 1.309 275 1HG1 ILE 39 2HG1 ILE 39 5.712 -1.011 1.500 276 2HG1 ILE 39 1HG1 ILE 39 7.077 -1.380 2.548 277 1HG2 ILE 39 1HG2 ILE 39 6.831 -2.478 -0.892 278 2HG2 ILE 39 2HG2 ILE 39 5.161 -2.743 -0.401 279 3HG2 ILE 39 3HG2 ILE 39 6.244 -4.111 -0.583 280 1HD1 ILE 39 1HD1 ILE 39 8.051 -1.366 -0.091 281 2HD1 ILE 39 2HD1 ILE 39 8.384 -0.220 1.208 282 3HD1 ILE 39 3HD1 ILE 39 7.038 0.064 0.104 283 H ALA 40 H ALA 40 3.748 -3.786 3.760 284 HA ALA 40 HA ALA 40 4.855 -2.072 5.685 285 1HB ALA 40 1HB ALA 40 2.494 -3.399 5.266 286 2HB ALA 40 2HB ALA 40 2.878 -2.359 6.638 287 3HB ALA 40 3HB ALA 40 3.104 -4.105 6.764 288 H ALA 41 H ALA 41 6.955 -2.593 6.045 289 HA ALA 41 HA ALA 41 7.739 -4.018 8.193 290 1HB ALA 41 1HB ALA 41 8.786 -6.091 7.155 291 2HB ALA 41 2HB ALA 41 7.733 -5.807 5.769 292 3HB ALA 41 3HB ALA 41 7.036 -6.118 7.359 293 H ASP 42 H ASP 42 8.854 -4.080 4.804 294 HA ASP 42 HA ASP 42 10.639 -2.035 4.787 295 1HB ASP 42 2HB ASP 42 11.862 -2.901 6.665 296 2HB ASP 42 1HB ASP 42 11.940 -4.508 5.952 297 H VAL 43 H VAL 43 9.750 -2.288 2.623 298 HA VAL 43 HA VAL 43 11.562 -3.854 0.957 299 HB VAL 43 HB VAL 43 8.758 -4.097 0.050 300 1HG1 VAL 43 1HG1 VAL 43 11.328 -5.434 -0.259 301 2HG1 VAL 43 2HG1 VAL 43 9.963 -5.329 -1.370 302 3HG1 VAL 43 3HG1 VAL 43 9.973 -6.547 -0.096 303 1HG2 VAL 43 1HG2 VAL 43 8.544 -4.599 2.472 304 2HG2 VAL 43 2HG2 VAL 43 9.777 -5.846 2.292 305 3HG2 VAL 43 3HG2 VAL 43 8.235 -6.002 1.450 306 H VAL 44 H VAL 44 10.050 -3.405 -1.499 307 HA VAL 44 HA VAL 44 9.781 -0.506 -1.570 308 HB VAL 44 HB VAL 44 11.390 -0.159 -3.319 309 1HG1 VAL 44 1HG1 VAL 44 12.820 -1.828 -1.276 310 2HG1 VAL 44 2HG1 VAL 44 12.074 -0.288 -0.856 311 3HG1 VAL 44 3HG1 VAL 44 13.358 -0.345 -2.065 312 1HG2 VAL 44 1HG2 VAL 44 11.367 -2.094 -4.628 313 2HG2 VAL 44 2HG2 VAL 44 11.671 -3.145 -3.245 314 3HG2 VAL 44 3HG2 VAL 44 12.960 -2.119 -3.870 315 H SER 45 H SER 45 7.846 -0.254 -2.445 316 HA SER 45 HA SER 45 6.093 -0.329 -3.906 317 1HB SER 45 2HB SER 45 7.751 0.630 -5.415 318 2HB SER 45 1HB SER 45 8.302 -0.986 -5.862 319 HG SER 45 HG SER 45 6.805 -0.076 -7.368 320 H GLU 46 H GLU 46 7.193 -2.993 -2.698 321 HA GLU 46 HA GLU 46 5.187 -4.661 -3.662 322 1HB GLU 46 2HB GLU 46 7.216 -4.374 -5.519 323 2HB GLU 46 1HB GLU 46 7.589 -5.911 -4.738 324 1HG GLU 46 2HG GLU 46 5.293 -6.679 -5.220 325 2HG GLU 46 1HG GLU 46 4.994 -5.167 -6.075 326 H TYR 47 H TYR 47 4.902 -6.292 -2.243 327 HA TYR 47 HA TYR 47 6.515 -6.547 0.031 328 1HB TYR 47 2HB TYR 47 4.165 -7.249 0.028 329 2HB TYR 47 1HB TYR 47 4.540 -8.541 -1.108 330 HD1 TYR 47 1HD TYR 47 5.257 -7.318 2.328 331 HD2 TYR 47 2HD TYR 47 5.238 -10.636 -0.335 332 HE1 TYR 47 1HE TYR 47 5.728 -8.826 4.213 333 HE2 TYR 47 2HE TYR 47 5.710 -12.154 1.543 334 HH TYR 47 HH TYR 47 6.709 -12.039 3.796 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -12.672 -4.196 9.480 2 2H GLY 1 2HT GLY 1 -12.432 -4.101 7.808 3 3H GLY 1 3HT GLY 1 -13.944 -3.728 8.466 4 1HA GLY 1 1HA GLY 1 -12.783 -1.709 7.861 5 2HA GLY 1 2HA GLY 1 -13.026 -1.809 9.597 6 H SER 2 H SER 2 -10.626 -3.205 7.361 7 HA SER 2 HA SER 2 -8.528 -1.972 9.023 8 1HB SER 2 2HB SER 2 -8.579 -4.391 9.390 9 2HB SER 2 1HB SER 2 -8.452 -4.673 7.655 10 HG SER 2 HG SER 2 -6.451 -4.732 9.022 11 H GLY 3 H GLY 3 -9.160 -3.365 5.801 12 1HA GLY 3 2HA GLY 3 -8.353 -1.119 4.356 13 2HA GLY 3 1HA GLY 3 -6.940 -2.143 4.549 14 H GLU 4 H GLU 4 -6.824 -2.516 2.321 15 HA GLU 4 HA GLU 4 -7.310 -3.458 0.310 16 1HB GLU 4 2HB GLU 4 -7.839 -5.840 0.417 17 2HB GLU 4 1HB GLU 4 -6.587 -5.403 1.567 18 1HG GLU 4 2HG GLU 4 -8.037 -6.952 2.624 19 2HG GLU 4 1HG GLU 4 -8.331 -5.381 3.349 20 H VAL 5 H VAL 5 -9.482 -1.855 1.504 21 HA VAL 5 HA VAL 5 -11.963 -3.074 0.762 22 HB VAL 5 HB VAL 5 -11.348 -0.170 1.303 23 1HG1 VAL 5 1HG1 VAL 5 -13.484 -0.384 0.276 24 2HG1 VAL 5 2HG1 VAL 5 -13.773 -0.166 2.002 25 3HG1 VAL 5 3HG1 VAL 5 -13.907 -1.770 1.281 26 1HG2 VAL 5 1HG2 VAL 5 -12.154 -2.365 3.221 27 2HG2 VAL 5 2HG2 VAL 5 -12.082 -0.648 3.616 28 3HG2 VAL 5 3HG2 VAL 5 -10.609 -1.514 3.180 29 H ASN 6 H ASN 6 -9.501 -1.554 -1.014 30 HA ASN 6 HA ASN 6 -9.408 -0.407 -3.031 31 1HB ASN 6 2HB ASN 6 -9.950 -2.870 -3.538 32 2HB ASN 6 1HB ASN 6 -11.599 -2.332 -3.833 33 1HD2 ASN 6 1HD2 ASN 6 -8.311 -2.238 -4.943 34 2HD2 ASN 6 2HD2 ASN 6 -8.645 -1.602 -6.514 35 H LYS 7 H LYS 7 -10.232 1.516 -2.252 36 HA LYS 7 HA LYS 7 -12.731 2.333 -3.427 37 1HB LYS 7 2HB LYS 7 -13.578 3.220 -1.279 38 2HB LYS 7 1HB LYS 7 -13.381 1.475 -1.224 39 1HG LYS 7 2HG LYS 7 -11.251 1.739 -0.026 40 2HG LYS 7 1HG LYS 7 -11.450 3.493 -0.084 41 1HD LYS 7 2HD LYS 7 -13.456 3.359 1.258 42 2HD LYS 7 1HD LYS 7 -13.383 1.597 1.244 43 1HE LYS 7 2HE LYS 7 -11.271 1.664 2.459 44 2HE LYS 7 1HE LYS 7 -11.304 3.426 2.441 45 1HZ LYS 7 1HZ LYS 7 -13.309 3.378 3.772 46 2HZ LYS 7 2HZ LYS 7 -12.076 2.524 4.552 47 3HZ LYS 7 3HZ LYS 7 -13.316 1.687 3.765 48 H ILE 8 H ILE 8 -12.353 4.675 -1.317 49 HA ILE 8 HA ILE 8 -10.512 6.199 -2.971 50 HB ILE 8 HB ILE 8 -12.775 6.970 -2.425 51 1HG1 ILE 8 2HG1 ILE 8 -10.943 8.545 -3.041 52 2HG1 ILE 8 1HG1 ILE 8 -12.189 9.285 -2.042 53 1HG2 ILE 8 1HG2 ILE 8 -13.539 7.450 -0.319 54 2HG2 ILE 8 2HG2 ILE 8 -11.913 7.708 0.315 55 3HG2 ILE 8 3HG2 ILE 8 -12.486 6.067 0.009 56 1HD1 ILE 8 1HD1 ILE 8 -10.651 8.785 -0.069 57 2HD1 ILE 8 2HD1 ILE 8 -10.178 10.074 -1.175 58 3HD1 ILE 8 3HD1 ILE 8 -9.403 8.494 -1.281 59 H ILE 9 H ILE 9 -8.424 6.142 -2.309 60 HA ILE 9 HA ILE 9 -7.924 6.781 0.464 61 HB ILE 9 HB ILE 9 -8.113 4.225 -0.401 62 1HG1 ILE 9 2HG1 ILE 9 -8.129 5.217 1.923 63 2HG1 ILE 9 1HG1 ILE 9 -7.429 3.613 1.775 64 1HG2 ILE 9 1HG2 ILE 9 -5.170 4.447 0.032 65 2HG2 ILE 9 2HG2 ILE 9 -5.838 4.730 -1.576 66 3HG2 ILE 9 3HG2 ILE 9 -6.112 3.208 -0.773 67 1HD1 ILE 9 1HD1 ILE 9 -5.890 4.574 3.126 68 2HD1 ILE 9 2HD1 ILE 9 -6.163 6.189 2.476 69 3HD1 ILE 9 3HD1 ILE 9 -5.198 5.025 1.568 70 H GLY 10 H GLY 10 -5.507 7.006 0.854 71 1HA GLY 10 2HA GLY 10 -4.369 8.552 -1.364 72 2HA GLY 10 1HA GLY 10 -4.040 8.834 0.339 73 H SER 11 H SER 11 -1.931 8.703 -1.277 74 HA SER 11 HA SER 11 -0.535 6.366 -0.404 75 1HB SER 11 2HB SER 11 0.262 6.090 -2.924 76 2HB SER 11 1HB SER 11 -1.156 5.242 -2.306 77 HG SER 11 HG SER 11 -2.423 6.962 -3.152 78 H ARG 12 H ARG 12 1.029 7.471 0.619 79 HA ARG 12 HA ARG 12 2.988 8.812 -1.033 80 1HB ARG 12 2HB ARG 12 1.241 10.563 -0.411 81 2HB ARG 12 1HB ARG 12 1.796 10.386 1.247 82 1HG ARG 12 2HG ARG 12 3.563 11.181 -1.057 83 2HG ARG 12 1HG ARG 12 2.783 12.316 0.045 84 1HD ARG 12 2HD ARG 12 3.954 11.091 1.924 85 2HD ARG 12 1HD ARG 12 4.890 10.263 0.680 86 HE ARG 12 HE ARG 12 5.142 12.947 0.133 87 1HH1 ARG 12 1HH1 ARG 12 5.853 10.842 2.813 88 2HH1 ARG 12 2HH1 ARG 12 7.196 11.784 3.366 89 1HH2 ARG 12 1HH2 ARG 12 6.911 14.198 0.852 90 2HH2 ARG 12 2HH2 ARG 12 7.798 13.693 2.251 91 H THR 13 H THR 13 4.659 7.446 -0.314 92 HA THR 13 HA THR 13 4.980 7.395 2.604 93 HB THR 13 HB THR 13 6.538 5.431 1.097 94 HG1 THR 13 1HG THR 13 4.691 4.070 0.913 95 1HG2 THR 13 1HG2 THR 13 5.655 4.016 3.001 96 2HG2 THR 13 2HG2 THR 13 4.975 5.510 3.648 97 3HG2 THR 13 3HG2 THR 13 6.717 5.353 3.437 98 H ALA 14 H ALA 14 7.483 6.723 0.154 99 HA ALA 14 HA ALA 14 8.944 9.080 1.036 100 1HB ALA 14 1HB ALA 14 9.523 7.364 2.694 101 2HB ALA 14 2HB ALA 14 10.915 7.872 1.738 102 3HB ALA 14 3HB ALA 14 10.124 6.333 1.396 103 H GLY 15 H GLY 15 9.436 6.021 -0.758 104 1HA GLY 15 2HA GLY 15 9.550 6.269 -3.232 105 2HA GLY 15 1HA GLY 15 10.568 7.673 -2.944 106 H GLU 16 H GLU 16 12.192 6.618 -0.904 107 HA GLU 16 HA GLU 16 14.191 5.350 -2.395 108 1HB GLU 16 2HB GLU 16 14.743 6.582 -0.397 109 2HB GLU 16 1HB GLU 16 13.756 5.514 0.592 110 1HG GLU 16 2HG GLU 16 15.281 3.663 0.107 111 2HG GLU 16 1HG GLU 16 16.270 4.742 -0.878 112 H GLY 17 H GLY 17 11.460 4.099 -0.690 113 1HA GLY 17 2HA GLY 17 12.089 1.421 -1.648 114 2HA GLY 17 1HA GLY 17 11.873 1.612 0.086 115 H ALA 18 H ALA 18 9.821 3.452 0.184 116 HA ALA 18 HA ALA 18 7.656 2.200 -1.301 117 1HB ALA 18 1HB ALA 18 6.204 2.278 0.720 118 2HB ALA 18 2HB ALA 18 7.630 2.720 1.662 119 3HB ALA 18 3HB ALA 18 7.549 1.139 0.868 120 H MET 19 H MET 19 5.755 3.593 -1.593 121 HA MET 19 HA MET 19 5.949 6.307 -0.780 122 1HB MET 19 2HB MET 19 7.536 5.763 -2.894 123 2HB MET 19 1HB MET 19 6.052 6.216 -3.723 124 1HG MET 19 2HG MET 19 6.015 8.330 -2.545 125 2HG MET 19 1HG MET 19 7.463 7.870 -1.657 126 1HE MET 19 1HE MET 19 8.600 10.736 -4.150 127 2HE MET 19 2HE MET 19 8.575 10.240 -2.459 128 3HE MET 19 3HE MET 19 7.062 10.574 -3.302 129 H GLU 20 H GLU 20 3.880 4.218 -0.835 130 HA GLU 20 HA GLU 20 1.764 5.920 -1.769 131 1HB GLU 20 2HB GLU 20 2.020 3.149 -2.873 132 2HB GLU 20 1HB GLU 20 0.629 4.180 -3.086 133 1HG GLU 20 2HG GLU 20 2.201 5.832 -4.178 134 2HG GLU 20 1HG GLU 20 3.411 4.538 -4.174 135 H TYR 21 H TYR 21 -0.401 3.787 -1.318 136 HA TYR 21 HA TYR 21 0.333 3.082 1.340 137 1HB TYR 21 2HB TYR 21 0.005 5.043 2.012 138 2HB TYR 21 1HB TYR 21 -1.189 5.442 0.841 139 HD1 TYR 21 1HD TYR 21 -2.718 6.643 2.439 140 HD2 TYR 21 2HD TYR 21 -1.433 2.615 3.070 141 HE1 TYR 21 1HE TYR 21 -4.478 6.323 4.132 142 HE2 TYR 21 2HE TYR 21 -3.154 2.313 4.761 143 HH TYR 21 HH TYR 21 -5.733 4.488 5.186 144 H LEU 22 H LEU 22 -2.889 3.728 0.311 145 HA LEU 22 HA LEU 22 -3.460 1.035 1.309 146 1HB LEU 22 2HB LEU 22 -4.397 3.360 2.345 147 2HB LEU 22 1HB LEU 22 -5.718 2.860 1.316 148 HG LEU 22 HG LEU 22 -5.986 0.796 2.493 149 1HD1 LEU 22 1HD1 LEU 22 -4.301 0.863 4.680 150 2HD1 LEU 22 2HD1 LEU 22 -3.262 1.314 3.329 151 3HD1 LEU 22 3HD1 LEU 22 -4.162 -0.201 3.281 152 1HD2 LEU 22 1HD2 LEU 22 -6.720 1.559 4.591 153 2HD2 LEU 22 2HD2 LEU 22 -6.881 2.936 3.501 154 3HD2 LEU 22 3HD2 LEU 22 -5.528 2.854 4.625 155 H ILE 23 H ILE 23 -5.492 0.167 0.778 156 HA ILE 23 HA ILE 23 -6.195 -1.251 -0.891 157 HB ILE 23 HB ILE 23 -8.313 -0.299 -1.644 158 1HG1 ILE 23 2HG1 ILE 23 -8.996 1.936 -0.953 159 2HG1 ILE 23 1HG1 ILE 23 -7.403 2.237 -0.320 160 1HG2 ILE 23 1HG2 ILE 23 -7.685 0.477 1.178 161 2HG2 ILE 23 2HG2 ILE 23 -7.900 -1.188 0.641 162 3HG2 ILE 23 3HG2 ILE 23 -9.244 -0.041 0.530 163 1HD1 ILE 23 1HD1 ILE 23 -7.863 3.340 -2.486 164 2HD1 ILE 23 2HD1 ILE 23 -8.003 1.748 -3.225 165 3HD1 ILE 23 3HD1 ILE 23 -6.468 2.267 -2.528 166 H GLU 24 H GLU 24 -7.559 -0.126 -3.332 167 HA GLU 24 HA GLU 24 -7.045 0.111 -5.530 168 1HB GLU 24 2HB GLU 24 -5.734 2.125 -4.318 169 2HB GLU 24 1HB GLU 24 -4.345 1.221 -4.907 170 1HG GLU 24 2HG GLU 24 -6.617 2.209 -6.618 171 2HG GLU 24 1HG GLU 24 -5.051 3.001 -6.444 172 H TRP 25 H TRP 25 -5.995 -2.143 -3.669 173 HA TRP 25 HA TRP 25 -4.513 -3.505 -5.726 174 1HB TRP 25 2HB TRP 25 -2.734 -4.199 -4.045 175 2HB TRP 25 1HB TRP 25 -2.628 -2.570 -4.690 176 HD1 TRP 25 HD TRP 25 -4.867 -3.633 -1.689 177 HE1 TRP 25 1HE TRP 25 -4.044 -2.307 0.396 178 HE3 TRP 25 3HE TRP 25 -0.830 -1.228 -3.702 179 HZ2 TRP 25 2HZ TRP 25 -2.021 -0.632 1.064 180 HZ3 TRP 25 3HZ TRP 25 0.522 0.225 -2.212 181 HH2 TRP 25 HH TRP 25 -0.079 0.592 0.088 182 H LYS 26 H LYS 26 -7.054 -3.719 -4.404 183 HA LYS 26 HA LYS 26 -8.324 -5.154 -3.072 184 1HB LYS 26 2HB LYS 26 -8.814 -7.099 -4.529 185 2HB LYS 26 1HB LYS 26 -8.816 -5.553 -5.367 186 1HG LYS 26 2HG LYS 26 -6.532 -6.026 -6.176 187 2HG LYS 26 1HG LYS 26 -6.622 -7.614 -5.409 188 1HD LYS 26 2HD LYS 26 -8.446 -6.585 -7.582 189 2HD LYS 26 1HD LYS 26 -7.144 -7.756 -7.791 190 1HE LYS 26 2HE LYS 26 -8.295 -9.281 -6.240 191 2HE LYS 26 1HE LYS 26 -9.610 -8.115 -6.090 192 1HZ LYS 26 1HZ LYS 26 -10.156 -9.840 -7.680 193 2HZ LYS 26 2HZ LYS 26 -8.779 -9.480 -8.595 194 3HZ LYS 26 3HZ LYS 26 -10.027 -8.347 -8.466 195 H ASP 27 H ASP 27 -6.773 -5.434 -1.226 196 HA ASP 27 HA ASP 27 -5.592 -6.756 0.231 197 1HB ASP 27 2HB ASP 27 -6.747 -9.116 0.383 198 2HB ASP 27 1HB ASP 27 -7.602 -7.672 0.891 199 H GLY 28 H GLY 28 -3.733 -6.741 -1.482 200 1HA GLY 28 2HA GLY 28 -3.276 -9.396 -2.602 201 2HA GLY 28 1HA GLY 28 -2.223 -8.007 -2.786 202 H HIS 29 H HIS 29 -1.381 -7.207 -0.492 203 HA HIS 29 HA HIS 29 -0.749 -9.542 1.156 204 1HB HIS 29 2HB HIS 29 1.218 -9.150 -0.301 205 2HB HIS 29 1HB HIS 29 1.349 -7.494 0.294 206 HD1 HIS 29 1HD HIS 29 2.771 -7.160 2.289 207 HD2 HIS 29 2HD HIS 29 1.628 -11.130 1.846 208 HE1 HIS 29 1HE HIS 29 4.027 -8.422 4.063 209 HE2 HIS 29 2HE HIS 29 3.251 -10.807 3.835 210 H SER 30 H SER 30 -2.111 -8.913 2.764 211 HA SER 30 HA SER 30 -3.004 -7.617 4.462 212 1HB SER 30 2HB SER 30 -0.856 -8.590 5.312 213 2HB SER 30 1HB SER 30 -0.072 -7.056 4.892 214 HG SER 30 HG SER 30 -2.340 -7.181 6.586 215 HA PRO 31 HA PRO 31 -3.480 -3.414 2.441 216 1HB PRO 31 2HB PRO 31 -4.729 -3.170 5.134 217 2HB PRO 31 1HB PRO 31 -5.369 -2.711 3.558 218 1HG PRO 31 2HG PRO 31 -5.888 -5.110 5.002 219 2HG PRO 31 1HG PRO 31 -6.436 -4.699 3.372 220 1HD PRO 31 2HD PRO 31 -4.669 -6.748 3.974 221 2HD PRO 31 1HD PRO 31 -4.811 -5.966 2.382 222 H SER 32 H SER 32 -1.567 -2.405 2.508 223 HA SER 32 HA SER 32 -0.355 -1.856 5.151 224 1HB SER 32 2HB SER 32 0.763 -3.633 3.711 225 2HB SER 32 1HB SER 32 1.143 -2.339 2.561 226 HG SER 32 HG SER 32 2.886 -2.343 3.823 227 H TRP 33 H TRP 33 1.857 -0.425 3.910 228 HA TRP 33 HA TRP 33 0.626 1.824 2.508 229 1HB TRP 33 2HB TRP 33 0.910 2.371 4.969 230 2HB TRP 33 1HB TRP 33 2.639 2.103 4.773 231 HD1 TRP 33 HD TRP 33 3.744 3.767 2.723 232 HE1 TRP 33 1HE TRP 33 3.297 6.272 2.355 233 HE3 TRP 33 3HE TRP 33 -0.606 4.221 5.374 234 HZ2 TRP 33 2HZ TRP 33 1.352 8.188 3.086 235 HZ3 TRP 33 3HZ TRP 33 -1.693 6.429 5.480 236 HH2 TRP 33 HH TRP 33 -0.732 8.369 4.338 237 H VAL 34 H VAL 34 1.553 1.209 0.581 238 HA VAL 34 HA VAL 34 4.411 1.472 0.291 239 HB VAL 34 HB VAL 34 3.082 -1.158 0.416 240 1HG1 VAL 34 1HG1 VAL 34 5.413 -1.325 -1.340 241 2HG1 VAL 34 2HG1 VAL 34 3.942 -0.756 -2.104 242 3HG1 VAL 34 3HG1 VAL 34 3.962 -2.281 -1.283 243 1HG2 VAL 34 1HG2 VAL 34 5.409 -1.765 1.105 244 2HG2 VAL 34 2HG2 VAL 34 4.644 -0.530 2.072 245 3HG2 VAL 34 3HG2 VAL 34 5.847 -0.084 0.866 246 HA PRO 35 HA PRO 35 3.535 2.777 -3.792 247 1HB PRO 35 2HB PRO 35 5.520 1.078 -5.014 248 2HB PRO 35 1HB PRO 35 5.441 2.837 -4.888 249 1HG PRO 35 2HG PRO 35 7.175 1.259 -3.512 250 2HG PRO 35 1HG PRO 35 6.660 2.864 -2.998 251 1HD PRO 35 2HD PRO 35 5.883 0.230 -1.989 252 2HD PRO 35 1HD PRO 35 5.873 1.755 -1.141 253 H SER 36 H SER 36 1.458 1.541 -3.760 254 HA SER 36 HA SER 36 -0.076 0.446 -5.046 255 1HB SER 36 2HB SER 36 0.953 1.467 -6.982 256 2HB SER 36 1HB SER 36 2.248 0.267 -6.977 257 HG SER 36 HG SER 36 0.846 -0.503 -8.441 258 H SER 37 H SER 37 1.718 -0.911 -3.144 259 HA SER 37 HA SER 37 0.915 -3.577 -3.878 260 1HB SER 37 2HB SER 37 3.266 -3.169 -4.804 261 2HB SER 37 1HB SER 37 3.796 -3.172 -3.122 262 HG SER 37 HG SER 37 2.294 -5.270 -4.287 263 H TYR 38 H TYR 38 3.229 -4.041 -1.555 264 HA TYR 38 HA TYR 38 2.074 -3.015 0.777 265 1HB TYR 38 2HB TYR 38 1.433 -5.754 1.090 266 2HB TYR 38 1HB TYR 38 0.359 -4.374 1.235 267 HD1 TYR 38 1HD TYR 38 -1.514 -4.372 -0.128 268 HD2 TYR 38 2HD TYR 38 2.009 -6.352 -1.444 269 HE1 TYR 38 1HE TYR 38 -2.659 -5.008 -2.214 270 HE2 TYR 38 2HE TYR 38 0.872 -7.015 -3.525 271 HH TYR 38 HH TYR 38 -1.683 -5.653 -4.735 272 H ILE 39 H ILE 39 3.963 -2.831 1.591 273 HA ILE 39 HA ILE 39 5.463 -5.070 2.370 274 HB ILE 39 HB ILE 39 6.550 -5.283 0.420 275 1HG1 ILE 39 2HG1 ILE 39 8.115 -4.173 2.322 276 2HG1 ILE 39 1HG1 ILE 39 8.720 -4.775 0.787 277 1HG2 ILE 39 1HG2 ILE 39 5.182 -3.437 -0.575 278 2HG2 ILE 39 2HG2 ILE 39 6.765 -3.730 -1.298 279 3HG2 ILE 39 3HG2 ILE 39 6.537 -2.367 -0.206 280 1HD1 ILE 39 1HD1 ILE 39 9.143 -2.686 -0.010 281 2HD1 ILE 39 2HD1 ILE 39 9.370 -2.399 1.712 282 3HD1 ILE 39 3HD1 ILE 39 7.858 -1.938 0.930 283 H ALA 40 H ALA 40 4.615 -3.986 4.156 284 HA ALA 40 HA ALA 40 5.391 -1.425 4.921 285 1HB ALA 40 1HB ALA 40 4.832 -3.785 6.679 286 2HB ALA 40 2HB ALA 40 3.623 -2.716 5.972 287 3HB ALA 40 3HB ALA 40 4.773 -2.089 7.155 288 H ALA 41 H ALA 41 7.478 -1.067 4.462 289 HA ALA 41 HA ALA 41 9.383 -1.696 6.487 290 1HB ALA 41 1HB ALA 41 11.013 -2.859 5.096 291 2HB ALA 41 2HB ALA 41 9.878 -2.853 3.746 292 3HB ALA 41 3HB ALA 41 9.511 -3.775 5.203 293 H ASP 42 H ASP 42 8.714 -0.401 3.281 294 HA ASP 42 HA ASP 42 9.163 1.667 2.423 295 1HB ASP 42 2HB ASP 42 9.304 2.472 4.830 296 2HB ASP 42 1HB ASP 42 11.038 2.179 4.739 297 H VAL 43 H VAL 43 10.593 -0.834 1.988 298 HA VAL 43 HA VAL 43 13.089 0.334 0.930 299 HB VAL 43 HB VAL 43 13.643 -1.099 2.812 300 1HG1 VAL 43 1HG1 VAL 43 12.835 -3.589 1.463 301 2HG1 VAL 43 2HG1 VAL 43 11.526 -2.619 2.134 302 3HG1 VAL 43 3HG1 VAL 43 12.837 -3.172 3.176 303 1HG2 VAL 43 1HG2 VAL 43 15.081 -0.969 0.740 304 2HG2 VAL 43 2HG2 VAL 43 14.409 -2.535 0.281 305 3HG2 VAL 43 3HG2 VAL 43 15.341 -2.376 1.771 306 H VAL 44 H VAL 44 10.194 -1.046 0.046 307 HA VAL 44 HA VAL 44 11.121 -1.483 -2.646 308 HB VAL 44 HB VAL 44 9.729 -3.842 -1.399 309 1HG1 VAL 44 1HG1 VAL 44 9.620 -3.615 -3.820 310 2HG1 VAL 44 2HG1 VAL 44 10.594 -5.010 -3.356 311 3HG1 VAL 44 3HG1 VAL 44 11.380 -3.529 -3.900 312 1HG2 VAL 44 1HG2 VAL 44 12.710 -3.500 -1.722 313 2HG2 VAL 44 2HG2 VAL 44 11.882 -4.979 -1.238 314 3HG2 VAL 44 3HG2 VAL 44 11.834 -3.561 -0.192 315 H SER 45 H SER 45 9.466 -1.681 -4.175 316 HA SER 45 HA SER 45 6.923 -0.502 -3.338 317 1HB SER 45 2HB SER 45 6.602 -0.271 -5.838 318 2HB SER 45 1HB SER 45 7.969 0.620 -5.170 319 HG SER 45 HG SER 45 8.262 -0.748 -7.161 320 H GLU 46 H GLU 46 7.694 -3.443 -2.991 321 HA GLU 46 HA GLU 46 5.180 -4.532 -3.524 322 1HB GLU 46 2HB GLU 46 6.329 -4.217 -5.868 323 2HB GLU 46 1HB GLU 46 7.140 -5.718 -5.434 324 1HG GLU 46 2HG GLU 46 4.932 -6.777 -5.106 325 2HG GLU 46 1HG GLU 46 4.169 -5.285 -5.652 326 H TYR 47 H TYR 47 4.883 -6.479 -2.564 327 HA TYR 47 HA TYR 47 7.232 -7.632 -1.232 328 1HB TYR 47 2HB TYR 47 5.551 -6.943 0.337 329 2HB TYR 47 1HB TYR 47 4.280 -7.780 -0.554 330 HD1 TYR 47 1HD TYR 47 7.464 -8.406 1.285 331 HD2 TYR 47 2HD TYR 47 3.688 -9.944 0.073 332 HE1 TYR 47 1HE TYR 47 7.837 -10.402 2.674 333 HE2 TYR 47 2HE TYR 47 4.049 -11.944 1.458 334 HH TYR 47 HH TYR 47 6.506 -12.146 3.787 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -9.528 -8.562 8.138 2 2H GLY 1 2HT GLY 1 -10.239 -7.230 7.376 3 3H GLY 1 3HT GLY 1 -10.448 -7.464 9.038 4 1HA GLY 1 1HA GLY 1 -8.089 -7.113 9.420 5 2HA GLY 1 2HA GLY 1 -7.865 -6.881 7.693 6 H SER 2 H SER 2 -7.439 -4.804 7.346 7 HA SER 2 HA SER 2 -9.133 -2.804 8.696 8 1HB SER 2 2HB SER 2 -6.840 -2.659 9.515 9 2HB SER 2 1HB SER 2 -6.234 -2.545 7.862 10 HG SER 2 HG SER 2 -7.987 -0.682 9.094 11 H GLY 3 H GLY 3 -7.029 -3.181 5.825 12 1HA GLY 3 2HA GLY 3 -8.865 -1.410 4.378 13 2HA GLY 3 1HA GLY 3 -7.214 -1.755 3.904 14 H GLU 4 H GLU 4 -7.174 -2.838 2.039 15 HA GLU 4 HA GLU 4 -7.599 -4.384 0.436 16 1HB GLU 4 2HB GLU 4 -7.153 -6.269 1.548 17 2HB GLU 4 1HB GLU 4 -7.958 -5.696 2.995 18 1HG GLU 4 2HG GLU 4 -10.111 -6.472 2.081 19 2HG GLU 4 1HG GLU 4 -9.261 -7.108 0.674 20 H VAL 5 H VAL 5 -9.699 -2.371 1.294 21 HA VAL 5 HA VAL 5 -12.094 -3.666 0.187 22 HB VAL 5 HB VAL 5 -11.941 -1.025 1.630 23 1HG1 VAL 5 1HG1 VAL 5 -13.883 -1.166 0.244 24 2HG1 VAL 5 2HG1 VAL 5 -14.394 -1.420 1.912 25 3HG1 VAL 5 3HG1 VAL 5 -14.242 -2.794 0.818 26 1HG2 VAL 5 1HG2 VAL 5 -12.546 -3.779 2.698 27 2HG2 VAL 5 2HG2 VAL 5 -12.960 -2.291 3.548 28 3HG2 VAL 5 3HG2 VAL 5 -11.272 -2.675 3.215 29 H ASN 6 H ASN 6 -9.579 -1.592 -0.673 30 HA ASN 6 HA ASN 6 -9.255 -0.051 -2.315 31 1HB ASN 6 2HB ASN 6 -9.799 -2.156 -3.563 32 2HB ASN 6 1HB ASN 6 -11.458 -1.582 -3.703 33 1HD2 ASN 6 1HD2 ASN 6 -9.385 -2.146 -5.732 34 2HD2 ASN 6 2HD2 ASN 6 -9.253 -0.699 -6.666 35 H LYS 7 H LYS 7 -9.972 1.785 -1.230 36 HA LYS 7 HA LYS 7 -12.546 2.835 -2.102 37 1HB LYS 7 2HB LYS 7 -13.034 3.577 0.156 38 2HB LYS 7 1HB LYS 7 -12.731 1.845 0.193 39 1HG LYS 7 2HG LYS 7 -10.303 2.470 0.800 40 2HG LYS 7 1HG LYS 7 -10.970 4.073 1.149 41 1HD LYS 7 2HD LYS 7 -12.088 1.553 2.356 42 2HD LYS 7 1HD LYS 7 -10.800 2.490 3.117 43 1HE LYS 7 2HE LYS 7 -12.902 3.145 4.076 44 2HE LYS 7 1HE LYS 7 -12.297 4.470 3.083 45 1HZ LYS 7 1HZ LYS 7 -14.781 3.500 2.939 46 2HZ LYS 7 2HZ LYS 7 -14.035 2.601 1.715 47 3HZ LYS 7 3HZ LYS 7 -14.004 4.292 1.662 48 H ILE 8 H ILE 8 -12.029 5.152 -0.282 49 HA ILE 8 HA ILE 8 -10.501 6.738 -2.020 50 HB ILE 8 HB ILE 8 -12.328 7.276 -0.249 51 1HG1 ILE 8 2HG1 ILE 8 -11.505 8.910 -1.816 52 2HG1 ILE 8 1HG1 ILE 8 -11.563 9.657 -0.224 53 1HG2 ILE 8 1HG2 ILE 8 -11.551 8.237 1.821 54 2HG2 ILE 8 2HG2 ILE 8 -9.879 7.882 1.392 55 3HG2 ILE 8 3HG2 ILE 8 -11.006 6.563 1.703 56 1HD1 ILE 8 1HD1 ILE 8 -9.160 9.317 0.021 57 2HD1 ILE 8 2HD1 ILE 8 -9.542 10.272 -1.410 58 3HD1 ILE 8 3HD1 ILE 8 -9.105 8.572 -1.576 59 H ILE 9 H ILE 9 -8.353 6.712 -2.252 60 HA ILE 9 HA ILE 9 -6.712 6.093 0.086 61 HB ILE 9 HB ILE 9 -5.205 4.811 -1.239 62 1HG1 ILE 9 2HG1 ILE 9 -5.475 6.059 -3.378 63 2HG1 ILE 9 1HG1 ILE 9 -5.532 4.312 -3.579 64 1HG2 ILE 9 1HG2 ILE 9 -7.543 3.944 -0.435 65 2HG2 ILE 9 2HG2 ILE 9 -6.364 2.920 -1.261 66 3HG2 ILE 9 3HG2 ILE 9 -7.715 3.623 -2.157 67 1HD1 ILE 9 1HD1 ILE 9 -8.125 4.750 -3.353 68 2HD1 ILE 9 2HD1 ILE 9 -7.268 4.873 -4.886 69 3HD1 ILE 9 3HD1 ILE 9 -7.644 6.330 -3.972 70 H GLY 10 H GLY 10 -5.019 7.286 0.473 71 1HA GLY 10 2HA GLY 10 -4.101 9.241 -1.549 72 2HA GLY 10 1HA GLY 10 -4.073 9.538 0.195 73 H SER 11 H SER 11 -2.281 8.336 -2.433 74 HA SER 11 HA SER 11 -0.643 6.712 -0.667 75 1HB SER 11 2HB SER 11 -0.866 5.254 -2.317 76 2HB SER 11 1HB SER 11 -1.439 6.531 -3.422 77 HG SER 11 HG SER 11 0.610 7.009 -4.026 78 H ARG 12 H ARG 12 0.858 7.625 0.251 79 HA ARG 12 HA ARG 12 3.043 8.828 -1.225 80 1HB ARG 12 2HB ARG 12 1.525 10.753 -0.920 81 2HB ARG 12 1HB ARG 12 1.602 10.521 0.822 82 1HG ARG 12 2HG ARG 12 4.050 10.918 0.714 83 2HG ARG 12 1HG ARG 12 3.872 11.285 -1.004 84 1HD ARG 12 2HD ARG 12 3.909 13.338 0.269 85 2HD ARG 12 1HD ARG 12 2.308 13.099 -0.429 86 HE ARG 12 HE ARG 12 2.266 12.014 2.130 87 1HH1 ARG 12 1HH1 ARG 12 2.680 15.128 0.630 88 2HH1 ARG 12 2HH1 ARG 12 2.019 16.006 1.968 89 1HH2 ARG 12 1HH2 ARG 12 1.390 13.161 3.899 90 2HH2 ARG 12 2HH2 ARG 12 1.286 14.889 3.826 91 H THR 13 H THR 13 4.595 7.414 -0.313 92 HA THR 13 HA THR 13 4.734 7.472 2.622 93 HB THR 13 HB THR 13 6.304 5.360 1.270 94 HG1 THR 13 1HG THR 13 4.536 4.023 1.054 95 1HG2 THR 13 1HG2 THR 13 6.413 5.569 3.657 96 2HG2 THR 13 2HG2 THR 13 5.541 4.091 3.251 97 3HG2 THR 13 3HG2 THR 13 4.655 5.522 3.779 98 H ALA 14 H ALA 14 7.288 6.553 0.326 99 HA ALA 14 HA ALA 14 8.883 8.830 1.245 100 1HB ALA 14 1HB ALA 14 10.804 7.432 1.753 101 2HB ALA 14 2HB ALA 14 9.870 5.985 1.371 102 3HB ALA 14 3HB ALA 14 9.425 6.981 2.756 103 H GLY 15 H GLY 15 8.923 5.923 -0.831 104 1HA GLY 15 2HA GLY 15 9.002 6.253 -3.249 105 2HA GLY 15 1HA GLY 15 10.031 7.649 -2.966 106 H GLU 16 H GLU 16 11.857 6.594 -1.165 107 HA GLU 16 HA GLU 16 13.686 5.340 -2.865 108 1HB GLU 16 2HB GLU 16 15.126 5.213 -1.000 109 2HB GLU 16 1HB GLU 16 14.124 6.628 -0.700 110 1HG GLU 16 2HG GLU 16 12.714 5.290 0.798 111 2HG GLU 16 1HG GLU 16 13.773 3.908 0.529 112 H GLY 17 H GLY 17 11.151 4.092 -0.892 113 1HA GLY 17 2HA GLY 17 11.660 1.397 -1.910 114 2HA GLY 17 1HA GLY 17 11.499 1.617 -0.172 115 H ALA 18 H ALA 18 9.519 2.859 0.521 116 HA ALA 18 HA ALA 18 7.224 1.908 -1.012 117 1HB ALA 18 1HB ALA 18 7.373 1.084 1.286 118 2HB ALA 18 2HB ALA 18 5.955 2.094 1.017 119 3HB ALA 18 3HB ALA 18 7.354 2.757 1.859 120 H MET 19 H MET 19 5.444 3.353 -1.385 121 HA MET 19 HA MET 19 5.718 6.067 -0.564 122 1HB MET 19 2HB MET 19 7.260 5.417 -2.701 123 2HB MET 19 1HB MET 19 5.802 6.007 -3.488 124 1HG MET 19 2HG MET 19 7.189 7.536 -1.330 125 2HG MET 19 1HG MET 19 7.635 7.688 -3.024 126 1HE MET 19 1HE MET 19 4.300 9.040 -4.595 127 2HE MET 19 2HE MET 19 4.723 7.339 -4.398 128 3HE MET 19 3HE MET 19 5.949 8.498 -4.911 129 H GLU 20 H GLU 20 3.471 4.288 -0.375 130 HA GLU 20 HA GLU 20 1.664 5.943 -1.855 131 1HB GLU 20 2HB GLU 20 1.636 2.955 -2.161 132 2HB GLU 20 1HB GLU 20 0.380 3.987 -2.771 133 1HG GLU 20 2HG GLU 20 2.387 5.197 -3.962 134 2HG GLU 20 1HG GLU 20 3.169 3.627 -3.741 135 H TYR 21 H TYR 21 -0.527 3.876 -1.213 136 HA TYR 21 HA TYR 21 -1.242 4.972 1.433 137 1HB TYR 21 2HB TYR 21 -3.596 4.235 0.387 138 2HB TYR 21 1HB TYR 21 -2.953 5.829 0.031 139 HD1 TYR 21 1HD TYR 21 -3.469 6.371 -2.166 140 HD2 TYR 21 2HD TYR 21 -2.327 2.387 -1.194 141 HE1 TYR 21 1HE TYR 21 -3.704 5.719 -4.524 142 HE2 TYR 21 2HE TYR 21 -2.588 1.732 -3.517 143 HH TYR 21 HH TYR 21 -2.882 3.980 -6.059 144 H LEU 22 H LEU 22 -3.259 3.696 2.230 145 HA LEU 22 HA LEU 22 -2.549 0.943 1.751 146 1HB LEU 22 2HB LEU 22 -3.577 0.684 4.206 147 2HB LEU 22 1HB LEU 22 -1.916 1.087 3.954 148 HG LEU 22 HG LEU 22 -2.514 3.494 4.193 149 1HD1 LEU 22 1HD1 LEU 22 -4.891 3.312 3.704 150 2HD1 LEU 22 2HD1 LEU 22 -4.620 4.035 5.289 151 3HD1 LEU 22 3HD1 LEU 22 -5.121 2.350 5.163 152 1HD2 LEU 22 1HD2 LEU 22 -3.043 1.667 6.526 153 2HD2 LEU 22 2HD2 LEU 22 -2.675 3.388 6.640 154 3HD2 LEU 22 3HD2 LEU 22 -1.471 2.269 6.002 155 H ILE 23 H ILE 23 -4.479 1.035 0.084 156 HA ILE 23 HA ILE 23 -6.290 -0.800 0.670 157 HB ILE 23 HB ILE 23 -7.165 0.326 2.553 158 1HG1 ILE 23 2HG1 ILE 23 -9.354 0.806 0.617 159 2HG1 ILE 23 1HG1 ILE 23 -8.674 -0.814 0.763 160 1HG2 ILE 23 1HG2 ILE 23 -7.756 2.489 2.738 161 2HG2 ILE 23 2HG2 ILE 23 -8.304 2.598 1.071 162 3HG2 ILE 23 3HG2 ILE 23 -6.578 2.656 1.437 163 1HD1 ILE 23 1HD1 ILE 23 -10.609 0.300 2.376 164 2HD1 ILE 23 2HD1 ILE 23 -9.126 0.371 3.335 165 3HD1 ILE 23 3HD1 ILE 23 -9.683 -1.165 2.688 166 H GLU 24 H GLU 24 -5.528 -0.777 -1.589 167 HA GLU 24 HA GLU 24 -7.664 -0.409 -3.334 168 1HB GLU 24 2HB GLU 24 -7.150 2.006 -3.047 169 2HB GLU 24 1HB GLU 24 -5.553 1.715 -3.726 170 1HG GLU 24 2HG GLU 24 -6.939 0.678 -5.701 171 2HG GLU 24 1HG GLU 24 -8.213 1.709 -5.056 172 H TRP 25 H TRP 25 -6.318 -2.594 -3.186 173 HA TRP 25 HA TRP 25 -4.953 -2.808 -5.740 174 1HB TRP 25 2HB TRP 25 -3.194 -4.275 -4.186 175 2HB TRP 25 1HB TRP 25 -2.873 -2.674 -4.851 176 HD1 TRP 25 HD TRP 25 -5.081 -3.625 -1.818 177 HE1 TRP 25 1HE TRP 25 -4.273 -2.276 0.203 178 HE3 TRP 25 3HE TRP 25 -0.983 -1.292 -3.906 179 HZ2 TRP 25 2HZ TRP 25 -2.243 -0.538 0.816 180 HZ3 TRP 25 3HZ TRP 25 0.348 0.219 -2.422 181 HH2 TRP 25 HH TRP 25 -0.319 0.640 -0.179 182 H LYS 26 H LYS 26 -7.393 -3.805 -4.428 183 HA LYS 26 HA LYS 26 -8.646 -5.696 -4.349 184 1HB LYS 26 2HB LYS 26 -6.483 -6.747 -6.183 185 2HB LYS 26 1HB LYS 26 -8.039 -7.516 -5.908 186 1HG LYS 26 2HG LYS 26 -8.140 -6.343 -7.978 187 2HG LYS 26 1HG LYS 26 -9.139 -5.475 -6.811 188 1HD LYS 26 2HD LYS 26 -7.550 -3.758 -6.569 189 2HD LYS 26 1HD LYS 26 -6.277 -4.716 -7.329 190 1HE LYS 26 2HE LYS 26 -7.484 -4.594 -9.463 191 2HE LYS 26 1HE LYS 26 -8.735 -3.618 -8.692 192 1HZ LYS 26 1HZ LYS 26 -7.118 -2.272 -9.914 193 2HZ LYS 26 2HZ LYS 26 -5.875 -2.847 -8.922 194 3HZ LYS 26 3HZ LYS 26 -7.113 -1.903 -8.263 195 H ASP 27 H ASP 27 -6.312 -5.280 -2.479 196 HA ASP 27 HA ASP 27 -5.318 -6.355 -0.759 197 1HB ASP 27 2HB ASP 27 -7.543 -7.058 -0.185 198 2HB ASP 27 1HB ASP 27 -7.468 -8.387 -1.334 199 H GLY 28 H GLY 28 -3.366 -6.940 -1.121 200 1HA GLY 28 2HA GLY 28 -2.828 -9.460 -2.556 201 2HA GLY 28 1HA GLY 28 -1.764 -8.060 -2.655 202 H HIS 29 H HIS 29 -1.226 -7.178 -0.321 203 HA HIS 29 HA HIS 29 -0.742 -9.442 1.469 204 1HB HIS 29 2HB HIS 29 1.459 -7.441 0.791 205 2HB HIS 29 1HB HIS 29 1.564 -8.837 1.862 206 HD1 HIS 29 1HD HIS 29 2.044 -7.837 -1.609 207 HD2 HIS 29 2HD HIS 29 1.366 -11.384 0.448 208 HE1 HIS 29 1HE HIS 29 2.684 -9.673 -3.203 209 HE2 HIS 29 2HE HIS 29 2.357 -11.806 -1.904 210 H SER 30 H SER 30 -2.251 -8.696 2.923 211 HA SER 30 HA SER 30 -3.236 -7.288 4.473 212 1HB SER 30 2HB SER 30 -0.340 -6.713 5.076 213 2HB SER 30 1HB SER 30 -1.699 -6.629 6.205 214 HG SER 30 HG SER 30 -0.183 -8.688 5.793 215 HA PRO 31 HA PRO 31 -3.684 -3.262 2.170 216 1HB PRO 31 2HB PRO 31 -4.875 -2.567 4.770 217 2HB PRO 31 1HB PRO 31 -5.624 -2.585 3.172 218 1HG PRO 31 2HG PRO 31 -5.628 -4.667 5.240 219 2HG PRO 31 1HG PRO 31 -6.657 -4.514 3.815 220 1HD PRO 31 2HD PRO 31 -4.849 -6.463 3.983 221 2HD PRO 31 1HD PRO 31 -5.151 -5.634 2.433 222 H SER 32 H SER 32 -2.149 -1.623 2.221 223 HA SER 32 HA SER 32 -0.752 -1.133 4.689 224 1HB SER 32 2HB SER 32 0.158 -3.286 3.671 225 2HB SER 32 1HB SER 32 0.910 -2.238 2.473 226 HG SER 32 HG SER 32 1.555 -2.673 5.116 227 H TRP 33 H TRP 33 0.168 0.897 4.745 228 HA TRP 33 HA TRP 33 0.193 2.431 2.328 229 1HB TRP 33 2HB TRP 33 -0.407 3.374 4.595 230 2HB TRP 33 1HB TRP 33 1.254 3.094 5.096 231 HD1 TRP 33 HD TRP 33 3.109 4.452 3.308 232 HE1 TRP 33 1HE TRP 33 2.926 6.918 2.633 233 HE3 TRP 33 3HE TRP 33 -1.861 5.244 4.265 234 HZ2 TRP 33 2HZ TRP 33 0.941 8.945 2.486 235 HZ3 TRP 33 3HZ TRP 33 -2.817 7.459 3.822 236 HH2 TRP 33 HH TRP 33 -1.440 9.273 2.949 237 H VAL 34 H VAL 34 1.573 1.598 1.012 238 HA VAL 34 HA VAL 34 4.369 1.721 1.636 239 HB VAL 34 HB VAL 34 3.605 -0.944 0.485 240 1HG1 VAL 34 1HG1 VAL 34 5.242 -1.221 2.759 241 2HG1 VAL 34 2HG1 VAL 34 5.772 0.275 2.006 242 3HG1 VAL 34 3HG1 VAL 34 5.777 -1.221 1.086 243 1HG2 VAL 34 1HG2 VAL 34 3.068 -0.311 3.371 244 2HG2 VAL 34 2HG2 VAL 34 3.044 -1.913 2.633 245 3HG2 VAL 34 3HG2 VAL 34 1.885 -0.693 2.130 246 HA PRO 35 HA PRO 35 4.308 2.427 -2.778 247 1HB PRO 35 2HB PRO 35 6.115 1.032 -4.064 248 2HB PRO 35 1HB PRO 35 6.572 2.093 -2.736 249 1HG PRO 35 2HG PRO 35 6.317 -0.877 -2.796 250 2HG PRO 35 1HG PRO 35 7.468 0.142 -1.916 251 1HD PRO 35 2HD PRO 35 5.126 -1.011 -0.867 252 2HD PRO 35 1HD PRO 35 6.132 0.240 -0.124 253 H SER 36 H SER 36 2.254 1.850 -3.516 254 HA SER 36 HA SER 36 0.751 1.003 -4.964 255 1HB SER 36 2HB SER 36 2.458 1.563 -6.616 256 2HB SER 36 1HB SER 36 3.246 0.008 -6.355 257 HG SER 36 HG SER 36 1.963 -0.256 -8.119 258 H SER 37 H SER 37 1.978 -0.756 -2.738 259 HA SER 37 HA SER 37 0.375 -2.998 -3.370 260 1HB SER 37 2HB SER 37 3.366 -3.448 -3.270 261 2HB SER 37 1HB SER 37 2.143 -4.715 -3.324 262 HG SER 37 HG SER 37 3.189 -3.263 -5.343 263 H TYR 38 H TYR 38 3.055 -3.863 -1.407 264 HA TYR 38 HA TYR 38 2.307 -2.842 1.095 265 1HB TYR 38 2HB TYR 38 1.569 -5.574 1.431 266 2HB TYR 38 1HB TYR 38 0.597 -4.147 1.764 267 HD1 TYR 38 1HD TYR 38 -1.470 -4.261 0.886 268 HD2 TYR 38 2HD TYR 38 1.750 -5.957 -1.287 269 HE1 TYR 38 1HE TYR 38 -3.046 -4.928 -0.905 270 HE2 TYR 38 2HE TYR 38 0.209 -6.629 -3.079 271 HH TYR 38 HH TYR 38 -3.241 -5.811 -2.966 272 H ILE 39 H ILE 39 4.370 -2.820 1.587 273 HA ILE 39 HA ILE 39 5.762 -5.274 1.989 274 HB ILE 39 HB ILE 39 6.298 -5.244 -0.241 275 1HG1 ILE 39 2HG1 ILE 39 8.586 -4.839 -0.475 276 2HG1 ILE 39 1HG1 ILE 39 8.563 -3.470 0.625 277 1HG2 ILE 39 1HG2 ILE 39 6.621 -2.262 -0.232 278 2HG2 ILE 39 2HG2 ILE 39 5.171 -3.134 -0.754 279 3HG2 ILE 39 3HG2 ILE 39 6.692 -3.329 -1.624 280 1HD1 ILE 39 1HD1 ILE 39 9.591 -5.717 1.379 281 2HD1 ILE 39 2HD1 ILE 39 7.914 -6.212 1.614 282 3HD1 ILE 39 3HD1 ILE 39 8.559 -4.830 2.497 283 H ALA 40 H ALA 40 5.377 -4.139 4.048 284 HA ALA 40 HA ALA 40 7.298 -1.973 4.526 285 1HB ALA 40 1HB ALA 40 4.997 -1.651 5.312 286 2HB ALA 40 2HB ALA 40 6.177 -1.608 6.622 287 3HB ALA 40 3HB ALA 40 5.182 -3.045 6.377 288 H ALA 41 H ALA 41 9.187 -3.056 4.529 289 HA ALA 41 HA ALA 41 9.803 -4.530 6.958 290 1HB ALA 41 1HB ALA 41 10.321 -5.655 4.206 291 2HB ALA 41 2HB ALA 41 9.235 -6.317 5.428 292 3HB ALA 41 3HB ALA 41 10.977 -6.310 5.706 293 H ASP 42 H ASP 42 10.965 -3.211 3.884 294 HA ASP 42 HA ASP 42 13.186 -1.980 5.317 295 1HB ASP 42 2HB ASP 42 13.495 -3.670 2.829 296 2HB ASP 42 1HB ASP 42 14.755 -2.633 3.492 297 H VAL 43 H VAL 43 12.293 -2.333 1.888 298 HA VAL 43 HA VAL 43 11.167 0.120 1.427 299 HB VAL 43 HB VAL 43 13.336 1.099 0.199 300 1HG1 VAL 43 1HG1 VAL 43 12.569 2.748 1.466 301 2HG1 VAL 43 2HG1 VAL 43 13.601 2.144 2.763 302 3HG1 VAL 43 3HG1 VAL 43 11.920 1.625 2.654 303 1HG2 VAL 43 1HG2 VAL 43 15.346 0.825 1.383 304 2HG2 VAL 43 2HG2 VAL 43 14.708 -0.808 1.190 305 3HG2 VAL 43 3HG2 VAL 43 14.543 0.027 2.734 306 H VAL 44 H VAL 44 10.183 -1.686 0.101 307 HA VAL 44 HA VAL 44 11.491 -1.747 -2.535 308 HB VAL 44 HB VAL 44 10.123 -4.146 -1.333 309 1HG1 VAL 44 1HG1 VAL 44 11.154 -5.320 -3.255 310 2HG1 VAL 44 2HG1 VAL 44 11.689 -3.758 -3.875 311 3HG1 VAL 44 3HG1 VAL 44 9.966 -4.106 -3.733 312 1HG2 VAL 44 1HG2 VAL 44 13.059 -3.543 -1.625 313 2HG2 VAL 44 2HG2 VAL 44 12.394 -5.120 -1.203 314 3HG2 VAL 44 3HG2 VAL 44 12.164 -3.749 -0.119 315 H SER 45 H SER 45 10.122 -1.959 -4.330 316 HA SER 45 HA SER 45 7.689 -0.533 -4.134 317 1HB SER 45 2HB SER 45 9.126 -0.334 -6.079 318 2HB SER 45 1HB SER 45 8.863 -2.034 -6.467 319 HG SER 45 HG SER 45 6.714 -1.579 -6.886 320 H GLU 46 H GLU 46 8.082 -3.644 -3.322 321 HA GLU 46 HA GLU 46 5.351 -4.215 -3.160 322 1HB GLU 46 2HB GLU 46 5.442 -4.422 -5.594 323 2HB GLU 46 1HB GLU 46 6.758 -5.581 -5.467 324 1HG GLU 46 2HG GLU 46 5.274 -7.141 -4.316 325 2HG GLU 46 1HG GLU 46 3.953 -5.981 -4.451 326 H TYR 47 H TYR 47 4.916 -6.330 -2.244 327 HA TYR 47 HA TYR 47 6.907 -7.154 -0.451 328 1HB TYR 47 2HB TYR 47 4.310 -7.538 -0.352 329 2HB TYR 47 1HB TYR 47 4.685 -9.013 -1.242 330 HD1 TYR 47 1HD TYR 47 7.534 -8.993 0.381 331 HD2 TYR 47 2HD TYR 47 3.406 -9.112 1.396 332 HE1 TYR 47 1HE TYR 47 8.090 -10.127 2.492 333 HE2 TYR 47 2HE TYR 47 3.950 -10.241 3.511 334 HH TYR 47 HH TYR 47 7.117 -10.456 4.718 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -6.728 3.813 9.311 2 2H GLY 1 2HT GLY 1 -6.162 2.268 8.922 3 3H GLY 1 3HT GLY 1 -7.073 2.505 10.327 4 1HA GLY 1 1HA GLY 1 -9.003 3.126 8.991 5 2HA GLY 1 2HA GLY 1 -8.053 2.831 7.543 6 H SER 2 H SER 2 -9.312 1.184 6.737 7 HA SER 2 HA SER 2 -9.670 -1.196 8.415 8 1HB SER 2 2HB SER 2 -10.931 -0.494 5.752 9 2HB SER 2 1HB SER 2 -11.304 -1.919 6.723 10 HG SER 2 HG SER 2 -12.801 -0.575 7.431 11 H GLY 3 H GLY 3 -8.926 -0.514 4.986 12 1HA GLY 3 2HA GLY 3 -7.022 -1.289 3.826 13 2HA GLY 3 1HA GLY 3 -6.714 -2.418 5.136 14 H GLU 4 H GLU 4 -6.681 -3.010 2.317 15 HA GLU 4 HA GLU 4 -7.549 -4.469 0.785 16 1HB GLU 4 2HB GLU 4 -6.893 -6.202 2.154 17 2HB GLU 4 1HB GLU 4 -7.990 -5.753 3.452 18 1HG GLU 4 2HG GLU 4 -9.312 -6.672 1.004 19 2HG GLU 4 1HG GLU 4 -8.294 -7.876 1.788 20 H VAL 5 H VAL 5 -9.025 -2.362 0.780 21 HA VAL 5 HA VAL 5 -11.772 -3.373 0.689 22 HB VAL 5 HB VAL 5 -11.095 -0.554 1.484 23 1HG1 VAL 5 1HG1 VAL 5 -13.645 -2.157 1.665 24 2HG1 VAL 5 2HG1 VAL 5 -13.310 -0.864 0.513 25 3HG1 VAL 5 3HG1 VAL 5 -13.427 -0.502 2.235 26 1HG2 VAL 5 1HG2 VAL 5 -10.218 -1.916 3.219 27 2HG2 VAL 5 2HG2 VAL 5 -11.643 -2.956 3.211 28 3HG2 VAL 5 3HG2 VAL 5 -11.767 -1.293 3.786 29 H ASN 6 H ASN 6 -9.283 -1.442 -0.827 30 HA ASN 6 HA ASN 6 -9.200 -0.301 -2.809 31 1HB ASN 6 2HB ASN 6 -9.738 -2.718 -3.491 32 2HB ASN 6 1HB ASN 6 -11.391 -2.159 -3.732 33 1HD2 ASN 6 1HD2 ASN 6 -8.100 -1.957 -4.837 34 2HD2 ASN 6 2HD2 ASN 6 -8.447 -1.223 -6.364 35 H LYS 7 H LYS 7 -10.115 1.568 -1.740 36 HA LYS 7 HA LYS 7 -12.753 2.242 -2.807 37 1HB LYS 7 2HB LYS 7 -12.913 3.419 -0.357 38 2HB LYS 7 1HB LYS 7 -13.620 1.871 -0.772 39 1HG LYS 7 2HG LYS 7 -12.093 0.677 0.411 40 2HG LYS 7 1HG LYS 7 -10.791 1.854 0.207 41 1HD LYS 7 2HD LYS 7 -13.225 2.211 1.979 42 2HD LYS 7 1HD LYS 7 -11.631 1.700 2.537 43 1HE LYS 7 2HE LYS 7 -10.696 3.825 1.679 44 2HE LYS 7 1HE LYS 7 -12.325 4.333 1.239 45 1HZ LYS 7 1HZ LYS 7 -12.952 4.158 3.581 46 2HZ LYS 7 2HZ LYS 7 -11.692 5.265 3.357 47 3HZ LYS 7 3HZ LYS 7 -11.366 3.729 3.983 48 H ILE 8 H ILE 8 -11.237 4.265 -0.391 49 HA ILE 8 HA ILE 8 -10.220 6.079 -2.446 50 HB ILE 8 HB ILE 8 -12.414 6.954 -2.046 51 1HG1 ILE 8 2HG1 ILE 8 -11.933 9.166 -1.218 52 2HG1 ILE 8 1HG1 ILE 8 -10.545 8.579 -0.308 53 1HG2 ILE 8 1HG2 ILE 8 -11.791 6.829 0.899 54 2HG2 ILE 8 2HG2 ILE 8 -12.877 5.750 0.025 55 3HG2 ILE 8 3HG2 ILE 8 -13.268 7.464 0.176 56 1HD1 ILE 8 1HD1 ILE 8 -9.420 8.034 -2.417 57 2HD1 ILE 8 2HD1 ILE 8 -9.823 9.746 -2.289 58 3HD1 ILE 8 3HD1 ILE 8 -10.799 8.684 -3.303 59 H ILE 9 H ILE 9 -8.149 6.354 -1.927 60 HA ILE 9 HA ILE 9 -7.450 7.032 0.816 61 HB ILE 9 HB ILE 9 -7.349 4.646 0.792 62 1HG1 ILE 9 2HG1 ILE 9 -4.940 4.232 1.244 63 2HG1 ILE 9 1HG1 ILE 9 -4.573 5.831 0.643 64 1HG2 ILE 9 1HG2 ILE 9 -6.358 5.055 -1.869 65 2HG2 ILE 9 2HG2 ILE 9 -7.076 3.627 -1.140 66 3HG2 ILE 9 3HG2 ILE 9 -5.351 3.919 -0.979 67 1HD1 ILE 9 1HD1 ILE 9 -6.187 5.102 3.064 68 2HD1 ILE 9 2HD1 ILE 9 -6.093 6.739 2.412 69 3HD1 ILE 9 3HD1 ILE 9 -4.639 5.942 3.007 70 H GLY 10 H GLY 10 -5.108 7.635 0.990 71 1HA GLY 10 2HA GLY 10 -4.212 9.043 -1.461 72 2HA GLY 10 1HA GLY 10 -3.961 9.659 0.173 73 H SER 11 H SER 11 -2.433 8.141 -2.340 74 HA SER 11 HA SER 11 -0.804 6.458 -0.602 75 1HB SER 11 2HB SER 11 -0.918 4.917 -2.208 76 2HB SER 11 1HB SER 11 -1.905 6.043 -3.157 77 HG SER 11 HG SER 11 -0.256 6.524 -4.367 78 H ARG 12 H ARG 12 0.689 7.309 0.264 79 HA ARG 12 HA ARG 12 2.871 8.453 -1.249 80 1HB ARG 12 2HB ARG 12 1.374 10.197 0.711 81 2HB ARG 12 1HB ARG 12 2.938 10.592 0.011 82 1HG ARG 12 2HG ARG 12 1.899 10.530 -2.234 83 2HG ARG 12 1HG ARG 12 0.334 10.264 -1.462 84 1HD ARG 12 2HD ARG 12 0.557 12.389 -0.275 85 2HD ARG 12 1HD ARG 12 2.127 12.652 -1.033 86 HE ARG 12 HE ARG 12 0.015 12.250 -2.928 87 1HH1 ARG 12 1HH1 ARG 12 1.610 14.598 -0.907 88 2HH1 ARG 12 2HH1 ARG 12 1.150 15.946 -1.891 89 1HH2 ARG 12 1HH2 ARG 12 -0.595 14.021 -4.229 90 2HH2 ARG 12 2HH2 ARG 12 -0.103 15.619 -3.778 91 H THR 13 H THR 13 4.489 7.213 -0.360 92 HA THR 13 HA THR 13 4.611 7.180 2.571 93 HB THR 13 HB THR 13 6.032 5.143 0.944 94 HG1 THR 13 1HG THR 13 4.303 3.840 1.007 95 1HG2 THR 13 1HG2 THR 13 5.267 5.439 3.809 96 2HG2 THR 13 2HG2 THR 13 6.863 5.157 3.114 97 3HG2 THR 13 3HG2 THR 13 5.663 3.864 3.123 98 H ALA 14 H ALA 14 7.168 6.390 0.217 99 HA ALA 14 HA ALA 14 8.686 8.704 1.171 100 1HB ALA 14 1HB ALA 14 9.228 6.942 2.768 101 2HB ALA 14 2HB ALA 14 10.632 7.385 1.796 102 3HB ALA 14 3HB ALA 14 9.749 5.899 1.444 103 H GLY 15 H GLY 15 9.198 5.700 -0.698 104 1HA GLY 15 2HA GLY 15 9.308 6.026 -3.174 105 2HA GLY 15 1HA GLY 15 10.351 7.396 -2.834 106 H GLU 16 H GLU 16 11.949 6.259 -0.829 107 HA GLU 16 HA GLU 16 13.917 4.971 -2.343 108 1HB GLU 16 2HB GLU 16 14.528 6.121 -0.327 109 2HB GLU 16 1HB GLU 16 13.466 5.108 0.642 110 1HG GLU 16 2HG GLU 16 15.754 4.453 0.981 111 2HG GLU 16 1HG GLU 16 14.889 3.169 0.136 112 H GLY 17 H GLY 17 11.162 3.758 -0.638 113 1HA GLY 17 2HA GLY 17 11.666 1.101 -1.699 114 2HA GLY 17 1HA GLY 17 11.538 1.230 0.050 115 H ALA 18 H ALA 18 9.537 3.025 0.420 116 HA ALA 18 HA ALA 18 7.261 1.763 -0.903 117 1HB ALA 18 1HB ALA 18 7.391 2.774 1.933 118 2HB ALA 18 2HB ALA 18 7.408 1.075 1.456 119 3HB ALA 18 3HB ALA 18 5.975 2.062 1.159 120 H MET 19 H MET 19 5.406 3.170 -1.297 121 HA MET 19 HA MET 19 5.649 5.930 -0.734 122 1HB MET 19 2HB MET 19 7.347 5.244 -2.681 123 2HB MET 19 1HB MET 19 5.922 5.610 -3.647 124 1HG MET 19 2HG MET 19 5.784 7.805 -2.541 125 2HG MET 19 1HG MET 19 7.270 7.422 -1.681 126 1HE MET 19 1HE MET 19 6.799 10.066 -3.565 127 2HE MET 19 2HE MET 19 8.412 10.138 -4.278 128 3HE MET 19 3HE MET 19 8.218 9.735 -2.572 129 H GLU 20 H GLU 20 3.439 3.967 -0.722 130 HA GLU 20 HA GLU 20 1.664 5.744 -2.117 131 1HB GLU 20 2HB GLU 20 1.788 2.879 -2.823 132 2HB GLU 20 1HB GLU 20 0.316 3.762 -3.037 133 1HG GLU 20 2HG GLU 20 2.111 5.418 -4.209 134 2HG GLU 20 1HG GLU 20 2.836 3.845 -4.556 135 H TYR 21 H TYR 21 -0.220 3.026 -1.173 136 HA TYR 21 HA TYR 21 -0.479 4.063 1.542 137 1HB TYR 21 2HB TYR 21 -2.815 4.693 1.199 138 2HB TYR 21 1HB TYR 21 -1.690 5.704 0.389 139 HD1 TYR 21 1HD TYR 21 -3.821 6.338 -1.045 140 HD2 TYR 21 2HD TYR 21 -2.014 2.492 -1.206 141 HE1 TYR 21 1HE TYR 21 -4.759 6.005 -3.247 142 HE2 TYR 21 2HE TYR 21 -2.986 2.146 -3.413 143 HH TYR 21 HH TYR 21 -4.336 4.643 -5.252 144 H LEU 22 H LEU 22 -3.586 3.059 0.674 145 HA LEU 22 HA LEU 22 -3.209 0.360 1.110 146 1HB LEU 22 2HB LEU 22 -5.113 0.974 3.114 147 2HB LEU 22 1HB LEU 22 -3.561 0.193 3.312 148 HG LEU 22 HG LEU 22 -2.661 2.673 3.354 149 1HD1 LEU 22 1HD1 LEU 22 -4.115 4.329 3.952 150 2HD1 LEU 22 2HD1 LEU 22 -5.283 3.205 4.645 151 3HD1 LEU 22 3HD1 LEU 22 -5.155 3.375 2.901 152 1HD2 LEU 22 1HD2 LEU 22 -4.131 1.921 5.823 153 2HD2 LEU 22 2HD2 LEU 22 -2.458 2.442 5.616 154 3HD2 LEU 22 3HD2 LEU 22 -2.927 0.794 5.202 155 H ILE 23 H ILE 23 -5.429 -0.713 1.334 156 HA ILE 23 HA ILE 23 -7.249 -1.330 0.138 157 HB ILE 23 HB ILE 23 -9.164 0.178 0.267 158 1HG1 ILE 23 2HG1 ILE 23 -7.667 2.279 -0.064 159 2HG1 ILE 23 1HG1 ILE 23 -9.101 2.401 0.924 160 1HG2 ILE 23 1HG2 ILE 23 -8.413 -1.193 2.200 161 2HG2 ILE 23 2HG2 ILE 23 -9.375 0.223 2.626 162 3HG2 ILE 23 3HG2 ILE 23 -7.625 0.250 2.838 163 1HD1 ILE 23 1HD1 ILE 23 -7.916 3.061 2.667 164 2HD1 ILE 23 2HD1 ILE 23 -6.515 3.144 1.602 165 3HD1 ILE 23 3HD1 ILE 23 -6.828 1.681 2.527 166 H GLU 24 H GLU 24 -5.508 -1.091 -1.696 167 HA GLU 24 HA GLU 24 -6.968 -0.179 -3.939 168 1HB GLU 24 2HB GLU 24 -5.161 1.703 -2.707 169 2HB GLU 24 1HB GLU 24 -4.665 1.355 -4.362 170 1HG GLU 24 2HG GLU 24 -7.522 1.963 -3.758 171 2HG GLU 24 1HG GLU 24 -6.353 3.273 -3.875 172 H TRP 25 H TRP 25 -5.537 -2.555 -2.950 173 HA TRP 25 HA TRP 25 -4.149 -3.142 -5.450 174 1HB TRP 25 2HB TRP 25 -2.575 -4.609 -3.829 175 2HB TRP 25 1HB TRP 25 -2.145 -3.001 -4.391 176 HD1 TRP 25 HD TRP 25 -3.997 -4.487 -1.255 177 HE1 TRP 25 1HE TRP 25 -3.198 -3.110 0.790 178 HE3 TRP 25 3HE TRP 25 -0.926 -1.132 -3.625 179 HZ2 TRP 25 2HZ TRP 25 -1.594 -0.894 1.277 180 HZ3 TRP 25 3HZ TRP 25 0.253 0.557 -2.246 181 HH2 TRP 25 HH TRP 25 -0.157 0.735 0.103 182 H LYS 26 H LYS 26 -6.745 -3.785 -4.329 183 HA LYS 26 HA LYS 26 -8.149 -5.548 -4.003 184 1HB LYS 26 2HB LYS 26 -6.118 -6.851 -5.827 185 2HB LYS 26 1HB LYS 26 -7.696 -7.527 -5.443 186 1HG LYS 26 2HG LYS 26 -8.775 -5.584 -6.459 187 2HG LYS 26 1HG LYS 26 -7.192 -4.914 -6.850 188 1HD LYS 26 2HD LYS 26 -8.195 -6.024 -8.785 189 2HD LYS 26 1HD LYS 26 -6.715 -6.838 -8.273 190 1HE LYS 26 2HE LYS 26 -9.238 -7.822 -7.090 191 2HE LYS 26 1HE LYS 26 -9.012 -8.125 -8.812 192 1HZ LYS 26 1HZ LYS 26 -7.109 -8.896 -6.664 193 2HZ LYS 26 2HZ LYS 26 -6.908 -9.198 -8.314 194 3HZ LYS 26 3HZ LYS 26 -8.166 -9.945 -7.465 195 H ASP 27 H ASP 27 -6.256 -5.164 -1.977 196 HA ASP 27 HA ASP 27 -5.348 -6.157 -0.163 197 1HB ASP 27 2HB ASP 27 -6.610 -7.868 0.833 198 2HB ASP 27 1HB ASP 27 -7.758 -6.991 -0.170 199 H GLY 28 H GLY 28 -3.881 -6.470 -2.538 200 1HA GLY 28 2HA GLY 28 -2.993 -8.930 -3.301 201 2HA GLY 28 1HA GLY 28 -1.914 -7.553 -3.107 202 H HIS 29 H HIS 29 -1.211 -7.134 -0.787 203 HA HIS 29 HA HIS 29 -1.015 -9.649 0.714 204 1HB HIS 29 2HB HIS 29 1.396 -7.882 0.767 205 2HB HIS 29 1HB HIS 29 1.265 -9.631 0.902 206 HD1 HIS 29 1HD HIS 29 1.931 -6.945 -1.519 207 HD2 HIS 29 2HD HIS 29 1.033 -11.001 -1.612 208 HE1 HIS 29 1HE HIS 29 2.524 -7.711 -3.839 209 HE2 HIS 29 2HE HIS 29 1.969 -10.169 -3.875 210 H SER 30 H SER 30 -2.350 -9.079 2.369 211 HA SER 30 HA SER 30 -3.167 -7.909 4.189 212 1HB SER 30 2HB SER 30 -0.196 -7.561 4.601 213 2HB SER 30 1HB SER 30 -1.442 -7.553 5.862 214 HG SER 30 HG SER 30 -1.804 -9.711 5.518 215 HA PRO 31 HA PRO 31 -3.581 -3.548 2.596 216 1HB PRO 31 2HB PRO 31 -4.463 -3.255 5.395 217 2HB PRO 31 1HB PRO 31 -5.305 -2.856 3.898 218 1HG PRO 31 2HG PRO 31 -5.524 -5.254 5.501 219 2HG PRO 31 1HG PRO 31 -6.463 -4.791 4.081 220 1HD PRO 31 2HD PRO 31 -4.740 -6.895 4.095 221 2HD PRO 31 1HD PRO 31 -5.083 -5.944 2.631 222 H SER 32 H SER 32 -2.212 -1.778 2.803 223 HA SER 32 HA SER 32 -0.462 -1.640 5.122 224 1HB SER 32 2HB SER 32 0.570 -3.261 3.753 225 2HB SER 32 1HB SER 32 0.479 -2.212 2.349 226 HG SER 32 HG SER 32 2.440 -2.412 4.103 227 H TRP 33 H TRP 33 1.506 -0.086 3.985 228 HA TRP 33 HA TRP 33 0.404 2.211 2.585 229 1HB TRP 33 2HB TRP 33 0.630 2.596 5.147 230 2HB TRP 33 1HB TRP 33 2.366 2.464 4.878 231 HD1 TRP 33 HD TRP 33 3.579 4.483 3.817 232 HE1 TRP 33 1HE TRP 33 2.861 6.872 3.207 233 HE3 TRP 33 3HE TRP 33 -1.469 3.952 4.271 234 HZ2 TRP 33 2HZ TRP 33 0.469 8.350 2.945 235 HZ3 TRP 33 3HZ TRP 33 -2.906 5.895 3.824 236 HH2 TRP 33 HH TRP 33 -1.959 8.049 3.171 237 H VAL 34 H VAL 34 1.335 1.580 0.783 238 HA VAL 34 HA VAL 34 4.216 1.281 0.571 239 HB VAL 34 HB VAL 34 3.958 -0.945 1.094 240 1HG1 VAL 34 1HG1 VAL 34 2.062 -1.917 1.513 241 2HG1 VAL 34 2HG1 VAL 34 1.499 -1.779 -0.146 242 3HG1 VAL 34 3HG1 VAL 34 1.241 -0.466 0.988 243 1HG2 VAL 34 1HG2 VAL 34 4.775 -1.253 -1.047 244 2HG2 VAL 34 2HG2 VAL 34 3.268 -0.859 -1.808 245 3HG2 VAL 34 3HG2 VAL 34 3.454 -2.355 -0.944 246 HA PRO 35 HA PRO 35 3.635 3.010 -3.391 247 1HB PRO 35 2HB PRO 35 5.167 0.977 -4.831 248 2HB PRO 35 1HB PRO 35 5.432 2.714 -4.673 249 1HG PRO 35 2HG PRO 35 6.949 0.952 -3.392 250 2HG PRO 35 1HG PRO 35 6.511 2.489 -2.656 251 1HD PRO 35 2HD PRO 35 5.326 -0.202 -2.243 252 2HD PRO 35 1HD PRO 35 5.712 0.990 -1.004 253 H SER 36 H SER 36 2.384 -0.183 -3.212 254 HA SER 36 HA SER 36 0.221 0.021 -4.748 255 1HB SER 36 2HB SER 36 2.565 -0.192 -6.563 256 2HB SER 36 1HB SER 36 1.125 -1.107 -7.001 257 HG SER 36 HG SER 36 1.452 1.285 -7.638 258 H SER 37 H SER 37 1.446 -1.785 -2.751 259 HA SER 37 HA SER 37 0.011 -4.117 -3.364 260 1HB SER 37 2HB SER 37 2.994 -4.327 -3.811 261 2HB SER 37 1HB SER 37 1.989 -5.724 -3.447 262 HG SER 37 HG SER 37 0.801 -5.287 -5.331 263 H TYR 38 H TYR 38 3.191 -4.208 -1.879 264 HA TYR 38 HA TYR 38 2.502 -3.524 0.716 265 1HB TYR 38 2HB TYR 38 1.069 -5.454 0.662 266 2HB TYR 38 1HB TYR 38 2.481 -6.474 0.287 267 HD1 TYR 38 1HD TYR 38 0.524 -4.914 2.863 268 HD2 TYR 38 2HD TYR 38 4.279 -6.526 1.878 269 HE1 TYR 38 1HE TYR 38 1.067 -5.084 5.263 270 HE2 TYR 38 2HE TYR 38 4.882 -6.744 4.211 271 HH TYR 38 HH TYR 38 4.210 -5.695 6.397 272 H ILE 39 H ILE 39 4.232 -3.794 2.196 273 HA ILE 39 HA ILE 39 6.560 -5.228 1.735 274 HB ILE 39 HB ILE 39 6.961 -4.040 -0.264 275 1HG1 ILE 39 2HG1 ILE 39 9.052 -3.000 0.093 276 2HG1 ILE 39 1HG1 ILE 39 8.609 -2.446 1.697 277 1HG2 ILE 39 1HG2 ILE 39 5.297 -2.205 0.611 278 2HG2 ILE 39 2HG2 ILE 39 6.448 -1.880 -0.675 279 3HG2 ILE 39 3HG2 ILE 39 6.799 -1.354 0.969 280 1HD1 ILE 39 1HD1 ILE 39 10.202 -4.278 1.788 281 2HD1 ILE 39 2HD1 ILE 39 9.086 -5.305 0.890 282 3HD1 ILE 39 3HD1 ILE 39 8.662 -4.744 2.508 283 H ALA 40 H ALA 40 5.817 -5.178 4.034 284 HA ALA 40 HA ALA 40 6.120 -2.808 5.556 285 1HB ALA 40 1HB ALA 40 6.320 -5.647 6.523 286 2HB ALA 40 2HB ALA 40 4.821 -4.742 6.313 287 3HB ALA 40 3HB ALA 40 6.010 -4.215 7.503 288 H ALA 41 H ALA 41 8.036 -1.828 5.088 289 HA ALA 41 HA ALA 41 10.253 -2.309 6.645 290 1HB ALA 41 1HB ALA 41 10.712 -4.345 5.512 291 2HB ALA 41 2HB ALA 41 11.884 -3.165 4.925 292 3HB ALA 41 3HB ALA 41 10.492 -3.594 3.932 293 H ASP 42 H ASP 42 9.007 -1.135 3.597 294 HA ASP 42 HA ASP 42 9.135 0.921 2.629 295 1HB ASP 42 2HB ASP 42 9.313 1.821 4.966 296 2HB ASP 42 1HB ASP 42 11.064 1.713 4.820 297 H VAL 43 H VAL 43 10.924 -1.347 2.114 298 HA VAL 43 HA VAL 43 13.176 0.140 0.915 299 HB VAL 43 HB VAL 43 13.166 -2.765 1.739 300 1HG1 VAL 43 1HG1 VAL 43 15.312 -0.988 0.591 301 2HG1 VAL 43 2HG1 VAL 43 14.630 -2.451 -0.122 302 3HG1 VAL 43 3HG1 VAL 43 15.626 -2.559 1.328 303 1HG2 VAL 43 1HG2 VAL 43 13.146 -1.341 3.695 304 2HG2 VAL 43 2HG2 VAL 43 14.457 -0.365 3.032 305 3HG2 VAL 43 3HG2 VAL 43 14.751 -2.042 3.489 306 H VAL 44 H VAL 44 10.372 -1.594 0.212 307 HA VAL 44 HA VAL 44 11.153 -1.785 -2.590 308 HB VAL 44 HB VAL 44 9.803 -4.127 -1.255 309 1HG1 VAL 44 1HG1 VAL 44 10.587 -5.279 -3.340 310 2HG1 VAL 44 2HG1 VAL 44 11.031 -3.690 -3.964 311 3HG1 VAL 44 3HG1 VAL 44 9.347 -4.048 -3.581 312 1HG2 VAL 44 1HG2 VAL 44 12.029 -3.895 -0.299 313 2HG2 VAL 44 2HG2 VAL 44 12.727 -3.808 -1.915 314 3HG2 VAL 44 3HG2 VAL 44 11.953 -5.295 -1.368 315 H SER 45 H SER 45 9.270 -2.154 -4.014 316 HA SER 45 HA SER 45 6.905 -0.736 -3.004 317 1HB SER 45 2HB SER 45 6.345 -0.460 -5.392 318 2HB SER 45 1HB SER 45 7.957 0.154 -5.022 319 HG SER 45 HG SER 45 7.954 -1.117 -6.917 320 H GLU 46 H GLU 46 7.585 -3.763 -2.701 321 HA GLU 46 HA GLU 46 4.977 -4.711 -2.750 322 1HB GLU 46 2HB GLU 46 4.602 -4.937 -4.944 323 2HB GLU 46 1HB GLU 46 6.297 -4.711 -5.336 324 1HG GLU 46 2HG GLU 46 6.682 -7.110 -4.881 325 2HG GLU 46 1HG GLU 46 4.962 -7.301 -4.544 326 H TYR 47 H TYR 47 4.794 -6.669 -1.735 327 HA TYR 47 HA TYR 47 6.874 -7.676 -0.239 328 1HB TYR 47 2HB TYR 47 4.336 -8.066 0.001 329 2HB TYR 47 1HB TYR 47 4.564 -9.389 -1.140 330 HD1 TYR 47 1HD TYR 47 6.584 -8.205 1.775 331 HD2 TYR 47 2HD TYR 47 4.409 -11.395 -0.013 332 HE1 TYR 47 1HE TYR 47 7.242 -9.684 3.626 333 HE2 TYR 47 2HE TYR 47 5.060 -12.882 1.833 334 HH TYR 47 HH TYR 47 6.843 -13.049 3.522 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -9.751 -2.654 11.132 2 2H GLY 1 2HT GLY 1 -11.204 -3.517 11.175 3 3H GLY 1 3HT GLY 1 -11.228 -1.828 11.094 4 1HA GLY 1 1HA GLY 1 -10.224 -3.658 8.982 5 2HA GLY 1 2HA GLY 1 -11.751 -2.791 8.942 6 H SER 2 H SER 2 -11.788 -0.847 8.008 7 HA SER 2 HA SER 2 -11.068 0.942 6.792 8 1HB SER 2 2HB SER 2 -9.415 2.381 7.917 9 2HB SER 2 1HB SER 2 -10.622 1.782 9.054 10 HG SER 2 HG SER 2 -9.068 0.890 10.129 11 H GLY 3 H GLY 3 -10.192 -1.397 5.689 12 1HA GLY 3 2HA GLY 3 -8.102 -0.558 4.025 13 2HA GLY 3 1HA GLY 3 -7.413 -1.586 5.272 14 H GLU 4 H GLU 4 -7.276 -2.265 2.586 15 HA GLU 4 HA GLU 4 -7.648 -3.966 1.166 16 1HB GLU 4 2HB GLU 4 -7.034 -5.649 2.463 17 2HB GLU 4 1HB GLU 4 -7.996 -5.091 3.826 18 1HG GLU 4 2HG GLU 4 -9.979 -6.153 2.811 19 2HG GLU 4 1HG GLU 4 -8.963 -6.744 1.498 20 H VAL 5 H VAL 5 -9.890 -2.011 1.931 21 HA VAL 5 HA VAL 5 -12.228 -3.505 1.052 22 HB VAL 5 HB VAL 5 -11.987 -0.567 1.710 23 1HG1 VAL 5 1HG1 VAL 5 -14.421 -0.665 1.953 24 2HG1 VAL 5 2HG1 VAL 5 -14.398 -2.360 1.467 25 3HG1 VAL 5 3HG1 VAL 5 -13.910 -1.108 0.324 26 1HG2 VAL 5 1HG2 VAL 5 -12.961 -2.797 3.492 27 2HG2 VAL 5 2HG2 VAL 5 -12.865 -1.085 3.900 28 3HG2 VAL 5 3HG2 VAL 5 -11.389 -2.012 3.628 29 H ASN 6 H ASN 6 -9.754 -1.427 -0.147 30 HA ASN 6 HA ASN 6 -9.285 -0.560 -2.185 31 1HB ASN 6 2HB ASN 6 -9.540 -2.890 -2.863 32 2HB ASN 6 1HB ASN 6 -11.277 -2.664 -3.066 33 1HD2 ASN 6 1HD2 ASN 6 -9.063 -3.435 -4.911 34 2HD2 ASN 6 2HD2 ASN 6 -9.225 -2.364 -6.260 35 H LYS 7 H LYS 7 -10.240 1.404 -1.486 36 HA LYS 7 HA LYS 7 -12.558 2.232 -3.030 37 1HB LYS 7 2HB LYS 7 -13.631 3.151 -1.031 38 2HB LYS 7 1HB LYS 7 -13.366 1.425 -0.809 39 1HG LYS 7 2HG LYS 7 -11.148 2.141 0.334 40 2HG LYS 7 1HG LYS 7 -11.928 3.725 0.450 41 1HD LYS 7 2HD LYS 7 -13.805 2.735 1.656 42 2HD LYS 7 1HD LYS 7 -13.059 1.142 1.524 43 1HE LYS 7 2HE LYS 7 -12.691 2.199 3.727 44 2HE LYS 7 1HE LYS 7 -11.190 1.855 2.869 45 1HZ LYS 7 1HZ LYS 7 -11.049 4.158 2.217 46 2HZ LYS 7 2HZ LYS 7 -11.193 4.058 3.900 47 3HZ LYS 7 3HZ LYS 7 -12.528 4.505 2.964 48 H ILE 8 H ILE 8 -12.485 4.690 -1.149 49 HA ILE 8 HA ILE 8 -10.588 6.217 -2.577 50 HB ILE 8 HB ILE 8 -12.747 6.900 -1.357 51 1HG1 ILE 8 2HG1 ILE 8 -11.267 8.458 -2.563 52 2HG1 ILE 8 1HG1 ILE 8 -11.987 9.210 -1.143 53 1HG2 ILE 8 1HG2 ILE 8 -10.812 7.139 0.932 54 2HG2 ILE 8 2HG2 ILE 8 -12.243 6.111 0.853 55 3HG2 ILE 8 3HG2 ILE 8 -12.419 7.866 0.891 56 1HD1 ILE 8 1HD1 ILE 8 -9.794 9.915 -1.055 57 2HD1 ILE 8 2HD1 ILE 8 -9.164 8.366 -1.607 58 3HD1 ILE 8 3HD1 ILE 8 -9.793 8.527 0.032 59 H ILE 9 H ILE 9 -8.443 6.639 -2.086 60 HA ILE 9 HA ILE 9 -7.485 5.936 0.557 61 HB ILE 9 HB ILE 9 -5.672 4.761 -1.314 62 1HG1 ILE 9 2HG1 ILE 9 -7.082 2.705 -1.715 63 2HG1 ILE 9 1HG1 ILE 9 -8.479 3.698 -1.322 64 1HG2 ILE 9 1HG2 ILE 9 -6.266 2.795 0.306 65 2HG2 ILE 9 2HG2 ILE 9 -6.958 4.113 1.243 66 3HG2 ILE 9 3HG2 ILE 9 -5.249 4.144 0.792 67 1HD1 ILE 9 1HD1 ILE 9 -7.964 3.427 -3.764 68 2HD1 ILE 9 2HD1 ILE 9 -6.518 4.399 -3.487 69 3HD1 ILE 9 3HD1 ILE 9 -8.116 5.089 -3.201 70 H GLY 10 H GLY 10 -5.032 6.054 0.619 71 1HA GLY 10 2HA GLY 10 -4.135 8.505 -0.755 72 2HA GLY 10 1HA GLY 10 -3.960 8.342 0.991 73 H SER 11 H SER 11 -1.721 8.720 -0.695 74 HA SER 11 HA SER 11 -0.279 6.303 -0.122 75 1HB SER 11 2HB SER 11 0.558 6.345 -2.607 76 2HB SER 11 1HB SER 11 -0.971 5.551 -2.227 77 HG SER 11 HG SER 11 -0.474 7.763 -3.740 78 H ARG 12 H ARG 12 1.325 7.366 1.077 79 HA ARG 12 HA ARG 12 3.271 8.742 -0.539 80 1HB ARG 12 2HB ARG 12 1.800 10.607 -0.133 81 2HB ARG 12 1HB ARG 12 1.809 10.287 1.597 82 1HG ARG 12 2HG ARG 12 4.143 10.879 1.735 83 2HG ARG 12 1HG ARG 12 4.224 11.082 -0.016 84 1HD ARG 12 2HD ARG 12 4.022 13.216 1.254 85 2HD ARG 12 1HD ARG 12 2.749 12.962 0.066 86 HE ARG 12 HE ARG 12 2.477 12.952 2.964 87 1HH1 ARG 12 1HH1 ARG 12 0.963 12.361 -0.136 88 2HH1 ARG 12 2HH1 ARG 12 -0.643 12.483 0.494 89 1HH2 ARG 12 1HH2 ARG 12 0.361 13.108 3.779 90 2HH2 ARG 12 2HH2 ARG 12 -0.986 12.903 2.710 91 H THR 13 H THR 13 4.859 7.155 0.235 92 HA THR 13 HA THR 13 5.419 7.518 3.059 93 HB THR 13 HB THR 13 6.915 5.405 1.785 94 HG1 THR 13 1HG THR 13 5.239 4.261 1.077 95 1HG2 THR 13 1HG2 THR 13 5.310 5.766 4.280 96 2HG2 THR 13 2HG2 THR 13 7.054 5.566 4.113 97 3HG2 THR 13 3HG2 THR 13 5.978 4.202 3.813 98 H ALA 14 H ALA 14 7.700 6.574 0.519 99 HA ALA 14 HA ALA 14 9.270 8.975 1.037 100 1HB ALA 14 1HB ALA 14 10.428 6.264 1.650 101 2HB ALA 14 2HB ALA 14 9.931 7.460 2.849 102 3HB ALA 14 3HB ALA 14 11.265 7.814 1.751 103 H GLY 15 H GLY 15 9.617 5.717 -0.381 104 1HA GLY 15 2HA GLY 15 9.586 5.688 -2.890 105 2HA GLY 15 1HA GLY 15 10.728 7.022 -2.800 106 H GLU 16 H GLU 16 12.335 6.102 -0.718 107 HA GLU 16 HA GLU 16 14.045 4.297 -2.115 108 1HB GLU 16 2HB GLU 16 14.128 5.457 0.671 109 2HB GLU 16 1HB GLU 16 15.405 4.441 0.005 110 1HG GLU 16 2HG GLU 16 15.780 6.071 -1.769 111 2HG GLU 16 1HG GLU 16 14.489 7.080 -1.118 112 H GLY 17 H GLY 17 11.334 3.781 -0.217 113 1HA GLY 17 2HA GLY 17 11.910 0.955 0.022 114 2HA GLY 17 1HA GLY 17 11.612 1.805 1.537 115 H ALA 18 H ALA 18 9.669 3.482 1.109 116 HA ALA 18 HA ALA 18 7.532 2.076 -0.235 117 1HB ALA 18 1HB ALA 18 5.955 2.301 1.507 118 2HB ALA 18 2HB ALA 18 7.045 3.370 2.408 119 3HB ALA 18 3HB ALA 18 7.424 1.653 2.252 120 H MET 19 H MET 19 5.797 3.496 -1.012 121 HA MET 19 HA MET 19 6.255 6.335 -0.625 122 1HB MET 19 2HB MET 19 7.610 5.194 -2.682 123 2HB MET 19 1HB MET 19 6.126 5.667 -3.499 124 1HG MET 19 2HG MET 19 6.426 7.954 -2.787 125 2HG MET 19 1HG MET 19 7.858 7.496 -1.874 126 1HE MET 19 1HE MET 19 7.788 9.880 -4.069 127 2HE MET 19 2HE MET 19 9.359 9.595 -4.819 128 3HE MET 19 3HE MET 19 9.176 9.448 -3.071 129 H GLU 20 H GLU 20 4.034 4.087 -0.661 130 HA GLU 20 HA GLU 20 1.946 5.957 -1.305 131 1HB GLU 20 2HB GLU 20 2.045 3.297 -2.737 132 2HB GLU 20 1HB GLU 20 0.699 4.415 -2.774 133 1HG GLU 20 2HG GLU 20 2.579 6.037 -3.678 134 2HG GLU 20 1HG GLU 20 3.362 4.504 -4.110 135 H TYR 21 H TYR 21 -0.283 4.528 -0.872 136 HA TYR 21 HA TYR 21 0.120 2.554 1.132 137 1HB TYR 21 2HB TYR 21 0.386 4.058 2.744 138 2HB TYR 21 1HB TYR 21 -0.333 5.346 1.826 139 HD1 TYR 21 1HD TYR 21 -2.203 6.356 2.871 140 HD2 TYR 21 2HD TYR 21 -1.412 2.204 3.464 141 HE1 TYR 21 1HE TYR 21 -4.205 6.162 4.288 142 HE2 TYR 21 2HE TYR 21 -3.372 2.020 4.895 143 HH TYR 21 HH TYR 21 -5.748 4.475 5.104 144 H LEU 22 H LEU 22 -1.582 3.352 -1.378 145 HA LEU 22 HA LEU 22 -4.162 2.930 -0.214 146 1HB LEU 22 2HB LEU 22 -5.019 3.347 -2.464 147 2HB LEU 22 1HB LEU 22 -3.889 4.598 -1.976 148 HG LEU 22 HG LEU 22 -2.201 2.948 -3.278 149 1HD1 LEU 22 1HD1 LEU 22 -3.270 2.169 -5.324 150 2HD1 LEU 22 2HD1 LEU 22 -4.840 2.690 -4.711 151 3HD1 LEU 22 3HD1 LEU 22 -3.967 1.386 -3.906 152 1HD2 LEU 22 1HD2 LEU 22 -3.935 5.133 -4.418 153 2HD2 LEU 22 2HD2 LEU 22 -2.522 4.463 -5.233 154 3HD2 LEU 22 3HD2 LEU 22 -2.336 5.299 -3.692 155 H ILE 23 H ILE 23 -5.181 1.293 0.075 156 HA ILE 23 HA ILE 23 -4.654 -1.214 -0.439 157 HB ILE 23 HB ILE 23 -6.511 -0.777 0.888 158 1HG1 ILE 23 2HG1 ILE 23 -8.104 -2.336 0.211 159 2HG1 ILE 23 1HG1 ILE 23 -7.907 -1.975 -1.492 160 1HG2 ILE 23 1HG2 ILE 23 -7.359 0.886 -1.356 161 2HG2 ILE 23 2HG2 ILE 23 -7.510 1.132 0.382 162 3HG2 ILE 23 3HG2 ILE 23 -8.645 0.087 -0.463 163 1HD1 ILE 23 1HD1 ILE 23 -5.727 -3.219 0.135 164 2HD1 ILE 23 2HD1 ILE 23 -5.920 -3.175 -1.605 165 3HD1 ILE 23 3HD1 ILE 23 -6.989 -4.170 -0.644 166 H GLU 24 H GLU 24 -7.357 -0.612 -2.544 167 HA GLU 24 HA GLU 24 -7.597 -1.364 -4.721 168 1HB GLU 24 2HB GLU 24 -6.878 1.123 -4.561 169 2HB GLU 24 1HB GLU 24 -5.341 0.560 -5.199 170 1HG GLU 24 2HG GLU 24 -6.734 1.406 -6.981 171 2HG GLU 24 1HG GLU 24 -6.474 -0.326 -7.177 172 H TRP 25 H TRP 25 -5.663 -3.032 -3.283 173 HA TRP 25 HA TRP 25 -4.080 -3.978 -5.526 174 1HB TRP 25 2HB TRP 25 -2.263 -4.588 -3.753 175 2HB TRP 25 1HB TRP 25 -2.309 -2.975 -4.433 176 HD1 TRP 25 HD TRP 25 -4.328 -4.306 -1.314 177 HE1 TRP 25 1HE TRP 25 -3.690 -2.788 0.678 178 HE3 TRP 25 3HE TRP 25 -0.798 -1.279 -3.526 179 HZ2 TRP 25 2HZ TRP 25 -2.023 -0.663 1.253 180 HZ3 TRP 25 3HZ TRP 25 0.333 0.430 -2.113 181 HH2 TRP 25 HH TRP 25 -0.297 0.759 0.203 182 H LYS 26 H LYS 26 -6.572 -4.855 -4.379 183 HA LYS 26 HA LYS 26 -7.647 -6.764 -3.779 184 1HB LYS 26 2HB LYS 26 -5.195 -8.212 -4.767 185 2HB LYS 26 1HB LYS 26 -6.858 -8.779 -4.769 186 1HG LYS 26 2HG LYS 26 -5.764 -6.528 -6.445 187 2HG LYS 26 1HG LYS 26 -6.116 -8.163 -7.006 188 1HD LYS 26 2HD LYS 26 -8.292 -6.643 -5.665 189 2HD LYS 26 1HD LYS 26 -7.843 -6.175 -7.306 190 1HE LYS 26 2HE LYS 26 -9.662 -7.799 -7.322 191 2HE LYS 26 1HE LYS 26 -8.211 -8.465 -8.067 192 1HZ LYS 26 1HZ LYS 26 -7.773 -9.763 -6.162 193 2HZ LYS 26 2HZ LYS 26 -9.415 -9.980 -6.506 194 3HZ LYS 26 3HZ LYS 26 -8.945 -8.962 -5.240 195 H ASP 27 H ASP 27 -5.893 -5.503 -1.807 196 HA ASP 27 HA ASP 27 -4.872 -5.906 0.206 197 1HB ASP 27 2HB ASP 27 -6.176 -7.378 1.664 198 2HB ASP 27 1HB ASP 27 -7.234 -6.374 0.678 199 H GLY 28 H GLY 28 -3.472 -7.202 -1.916 200 1HA GLY 28 2HA GLY 28 -2.885 -9.873 -1.645 201 2HA GLY 28 1HA GLY 28 -1.691 -8.669 -2.094 202 H HIS 29 H HIS 29 -1.169 -7.252 0.094 203 HA HIS 29 HA HIS 29 -0.733 -9.138 2.255 204 1HB HIS 29 2HB HIS 29 1.528 -7.459 1.026 205 2HB HIS 29 1HB HIS 29 1.611 -8.295 2.578 206 HD1 HIS 29 1HD HIS 29 1.159 -9.078 -1.098 207 HD2 HIS 29 2HD HIS 29 2.346 -10.909 2.438 208 HE1 HIS 29 1HE HIS 29 2.029 -11.340 -1.772 209 HE2 HIS 29 2HE HIS 29 2.834 -12.388 0.373 210 H SER 30 H SER 30 -2.267 -8.159 3.413 211 HA SER 30 HA SER 30 -3.334 -6.627 4.713 212 1HB SER 30 2HB SER 30 -1.390 -7.370 6.027 213 2HB SER 30 1HB SER 30 -0.479 -5.982 5.410 214 HG SER 30 HG SER 30 -1.327 -5.404 7.380 215 HA PRO 31 HA PRO 31 -3.850 -2.505 2.496 216 1HB PRO 31 2HB PRO 31 -4.849 -1.790 5.152 217 2HB PRO 31 1HB PRO 31 -5.731 -1.873 3.630 218 1HG PRO 31 2HG PRO 31 -5.550 -3.860 5.780 219 2HG PRO 31 1HG PRO 31 -6.716 -3.759 4.460 220 1HD PRO 31 2HD PRO 31 -4.901 -5.714 4.547 221 2HD PRO 31 1HD PRO 31 -5.357 -4.975 2.997 222 H SER 32 H SER 32 -1.746 -1.964 2.371 223 HA SER 32 HA SER 32 -0.410 -1.203 4.888 224 1HB SER 32 2HB SER 32 0.656 -2.603 2.461 225 2HB SER 32 1HB SER 32 1.728 -1.749 3.570 226 HG SER 32 HG SER 32 1.620 -3.437 4.797 227 H TRP 33 H TRP 33 1.514 0.095 4.549 228 HA TRP 33 HA TRP 33 0.927 2.284 2.721 229 1HB TRP 33 2HB TRP 33 1.091 2.591 5.264 230 2HB TRP 33 1HB TRP 33 2.819 2.285 5.102 231 HD1 TRP 33 HD TRP 33 4.085 4.058 3.369 232 HE1 TRP 33 1HE TRP 33 3.733 6.594 3.155 233 HE3 TRP 33 3HE TRP 33 -0.499 4.442 5.572 234 HZ2 TRP 33 2HZ TRP 33 1.769 8.512 3.805 235 HZ3 TRP 33 3HZ TRP 33 -1.556 6.661 5.724 236 HH2 TRP 33 HH TRP 33 -0.445 8.653 4.843 237 H VAL 34 H VAL 34 1.867 1.800 0.908 238 HA VAL 34 HA VAL 34 4.708 1.096 0.703 239 HB VAL 34 HB VAL 34 3.506 -1.101 0.914 240 1HG1 VAL 34 1HG1 VAL 34 1.901 -0.837 -1.431 241 2HG1 VAL 34 2HG1 VAL 34 1.497 0.358 -0.237 242 3HG1 VAL 34 3HG1 VAL 34 1.461 -1.339 0.195 243 1HG2 VAL 34 1HG2 VAL 34 4.146 -0.521 -1.949 244 2HG2 VAL 34 2HG2 VAL 34 3.932 -2.104 -1.250 245 3HG2 VAL 34 3HG2 VAL 34 5.263 -1.093 -0.727 246 HA PRO 35 HA PRO 35 4.644 3.513 -3.030 247 1HB PRO 35 2HB PRO 35 6.021 1.239 -4.312 248 2HB PRO 35 1HB PRO 35 6.523 2.933 -4.232 249 1HG PRO 35 2HG PRO 35 7.744 1.143 -2.721 250 2HG PRO 35 1HG PRO 35 7.244 2.680 -1.998 251 1HD PRO 35 2HD PRO 35 5.936 0.036 -1.987 252 2HD PRO 35 1HD PRO 35 6.233 1.065 -0.589 253 H SER 36 H SER 36 3.033 0.497 -3.057 254 HA SER 36 HA SER 36 1.229 1.112 -5.024 255 1HB SER 36 2HB SER 36 3.752 0.048 -6.148 256 2HB SER 36 1HB SER 36 2.257 -0.597 -6.823 257 HG SER 36 HG SER 36 2.555 2.177 -6.502 258 H SER 37 H SER 37 2.723 -1.346 -3.093 259 HA SER 37 HA SER 37 0.312 -2.955 -3.482 260 1HB SER 37 2HB SER 37 3.140 -4.002 -3.495 261 2HB SER 37 1HB SER 37 1.716 -5.025 -3.327 262 HG SER 37 HG SER 37 1.010 -4.194 -5.360 263 H TYR 38 H TYR 38 3.131 -3.837 -1.538 264 HA TYR 38 HA TYR 38 2.272 -2.859 0.967 265 1HB TYR 38 2HB TYR 38 1.871 -5.572 1.446 266 2HB TYR 38 1HB TYR 38 0.652 -4.314 1.514 267 HD1 TYR 38 1HD TYR 38 -1.144 -4.415 0.108 268 HD2 TYR 38 2HD TYR 38 2.322 -6.643 -0.843 269 HE1 TYR 38 1HE TYR 38 -2.380 -5.508 -1.726 270 HE2 TYR 38 2HE TYR 38 1.116 -7.741 -2.700 271 HH TYR 38 HH TYR 38 -1.235 -8.261 -3.306 272 H ILE 39 H ILE 39 4.351 -2.575 1.576 273 HA ILE 39 HA ILE 39 6.140 -4.878 1.417 274 HB ILE 39 HB ILE 39 7.893 -3.717 0.438 275 1HG1 ILE 39 2HG1 ILE 39 8.241 -1.722 1.578 276 2HG1 ILE 39 1HG1 ILE 39 7.681 -1.155 0.025 277 1HG2 ILE 39 1HG2 ILE 39 6.651 -4.037 -1.375 278 2HG2 ILE 39 2HG2 ILE 39 6.601 -2.275 -1.400 279 3HG2 ILE 39 3HG2 ILE 39 5.265 -3.188 -0.717 280 1HD1 ILE 39 1HD1 ILE 39 6.503 0.171 1.432 281 2HD1 ILE 39 2HD1 ILE 39 6.310 -1.082 2.649 282 3HD1 ILE 39 3HD1 ILE 39 5.371 -1.133 1.177 283 H ALA 40 H ALA 40 5.007 -4.728 3.572 284 HA ALA 40 HA ALA 40 5.674 -2.862 5.502 285 1HB ALA 40 1HB ALA 40 4.728 -4.339 6.963 286 2HB ALA 40 2HB ALA 40 5.422 -5.742 6.147 287 3HB ALA 40 3HB ALA 40 4.072 -4.875 5.413 288 H ALA 41 H ALA 41 7.733 -2.222 5.409 289 HA ALA 41 HA ALA 41 9.689 -3.179 7.010 290 1HB ALA 41 1HB ALA 41 11.319 -4.202 5.375 291 2HB ALA 41 2HB ALA 41 9.974 -4.351 4.244 292 3HB ALA 41 3HB ALA 41 9.931 -5.209 5.784 293 H ASP 42 H ASP 42 8.860 -1.693 3.973 294 HA ASP 42 HA ASP 42 9.290 0.393 3.171 295 1HB ASP 42 2HB ASP 42 11.229 0.766 5.458 296 2HB ASP 42 1HB ASP 42 10.520 2.019 4.446 297 H VAL 43 H VAL 43 10.438 -1.589 1.851 298 HA VAL 43 HA VAL 43 12.932 -0.378 0.975 299 HB VAL 43 HB VAL 43 13.024 -3.304 1.652 300 1HG1 VAL 43 1HG1 VAL 43 14.720 -2.713 0.128 301 2HG1 VAL 43 2HG1 VAL 43 15.503 -2.750 1.707 302 3HG1 VAL 43 3HG1 VAL 43 15.066 -1.206 0.975 303 1HG2 VAL 43 1HG2 VAL 43 13.906 -1.018 3.412 304 2HG2 VAL 43 2HG2 VAL 43 14.239 -2.726 3.700 305 3HG2 VAL 43 3HG2 VAL 43 12.579 -2.134 3.737 306 H VAL 44 H VAL 44 10.170 -1.096 -0.157 307 HA VAL 44 HA VAL 44 11.188 -2.089 -2.682 308 HB VAL 44 HB VAL 44 8.896 -3.656 -1.557 309 1HG1 VAL 44 1HG1 VAL 44 9.462 -5.245 -3.227 310 2HG1 VAL 44 2HG1 VAL 44 11.011 -4.463 -3.543 311 3HG1 VAL 44 3HG1 VAL 44 9.510 -3.662 -4.002 312 1HG2 VAL 44 1HG2 VAL 44 10.727 -3.910 0.061 313 2HG2 VAL 44 2HG2 VAL 44 11.801 -4.413 -1.243 314 3HG2 VAL 44 3HG2 VAL 44 10.409 -5.407 -0.815 315 H SER 45 H SER 45 9.805 -1.793 -4.435 316 HA SER 45 HA SER 45 7.723 0.162 -4.109 317 1HB SER 45 2HB SER 45 9.291 0.308 -5.996 318 2HB SER 45 1HB SER 45 8.695 -1.239 -6.594 319 HG SER 45 HG SER 45 7.688 1.206 -6.991 320 H GLU 46 H GLU 46 7.708 -3.075 -3.728 321 HA GLU 46 HA GLU 46 4.966 -3.363 -3.582 322 1HB GLU 46 2HB GLU 46 4.763 -3.022 -5.898 323 2HB GLU 46 1HB GLU 46 6.127 -4.067 -6.262 324 1HG GLU 46 2HG GLU 46 3.804 -5.312 -4.918 325 2HG GLU 46 1HG GLU 46 3.605 -4.831 -6.601 326 H TYR 47 H TYR 47 4.256 -5.512 -3.040 327 HA TYR 47 HA TYR 47 6.430 -7.476 -2.708 328 1HB TYR 47 2HB TYR 47 5.716 -6.361 -0.537 329 2HB TYR 47 1HB TYR 47 4.151 -7.169 -0.717 330 HD1 TYR 47 1HD TYR 47 7.742 -7.647 -0.065 331 HD2 TYR 47 2HD TYR 47 3.949 -9.549 -0.376 332 HE1 TYR 47 1HE TYR 47 8.667 -9.655 1.012 333 HE2 TYR 47 2HE TYR 47 4.862 -11.561 0.701 334 HH TYR 47 HH TYR 47 7.869 -11.596 2.281 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -10.813 -0.014 11.487 2 2H GLY 1 2HT GLY 1 -9.563 -1.154 11.455 3 3H GLY 1 3HT GLY 1 -10.578 -0.973 10.114 4 1HA GLY 1 1HA GLY 1 -9.745 1.244 9.714 5 2HA GLY 1 2HA GLY 1 -8.731 1.111 11.143 6 H SER 2 H SER 2 -9.326 -1.378 8.694 7 HA SER 2 HA SER 2 -6.434 -1.453 8.203 8 1HB SER 2 2HB SER 2 -6.851 -3.700 7.259 9 2HB SER 2 1HB SER 2 -7.435 -3.570 8.918 10 HG SER 2 HG SER 2 -9.106 -4.467 7.876 11 H GLY 3 H GLY 3 -9.151 -2.413 6.141 12 1HA GLY 3 2HA GLY 3 -9.681 -0.750 4.294 13 2HA GLY 3 1HA GLY 3 -7.959 -0.808 3.972 14 H GLU 4 H GLU 4 -7.344 -2.119 2.391 15 HA GLU 4 HA GLU 4 -7.473 -3.681 0.751 16 1HB GLU 4 2HB GLU 4 -7.008 -5.575 1.832 17 2HB GLU 4 1HB GLU 4 -7.731 -4.940 3.293 18 1HG GLU 4 2HG GLU 4 -9.919 -5.834 2.556 19 2HG GLU 4 1HG GLU 4 -9.118 -6.548 1.157 20 H VAL 5 H VAL 5 -9.793 -1.858 1.302 21 HA VAL 5 HA VAL 5 -12.016 -3.442 0.297 22 HB VAL 5 HB VAL 5 -12.079 -0.572 1.188 23 1HG1 VAL 5 1HG1 VAL 5 -13.948 -1.221 -0.207 24 2HG1 VAL 5 2HG1 VAL 5 -14.490 -1.009 1.458 25 3HG1 VAL 5 3HG1 VAL 5 -14.247 -2.632 0.808 26 1HG2 VAL 5 1HG2 VAL 5 -12.431 -3.094 2.780 27 2HG2 VAL 5 2HG2 VAL 5 -13.113 -1.550 3.294 28 3HG2 VAL 5 3HG2 VAL 5 -11.368 -1.725 3.109 29 H ASN 6 H ASN 6 -9.649 -1.148 -0.677 30 HA ASN 6 HA ASN 6 -9.237 -0.110 -2.657 31 1HB ASN 6 2HB ASN 6 -9.550 -2.346 -3.556 32 2HB ASN 6 1HB ASN 6 -11.293 -2.110 -3.632 33 1HD2 ASN 6 1HD2 ASN 6 -9.050 -2.650 -5.596 34 2HD2 ASN 6 2HD2 ASN 6 -9.347 -1.519 -6.877 35 H LYS 7 H LYS 7 -10.411 1.476 -1.210 36 HA LYS 7 HA LYS 7 -12.618 2.720 -2.688 37 1HB LYS 7 2HB LYS 7 -13.645 3.273 -0.503 38 2HB LYS 7 1HB LYS 7 -13.527 1.532 -0.736 39 1HG LYS 7 2HG LYS 7 -11.289 1.728 0.566 40 2HG LYS 7 1HG LYS 7 -11.927 3.295 1.075 41 1HD LYS 7 2HD LYS 7 -13.470 0.733 1.389 42 2HD LYS 7 1HD LYS 7 -12.417 1.392 2.643 43 1HE LYS 7 2HE LYS 7 -13.748 3.461 2.637 44 2HE LYS 7 1HE LYS 7 -14.812 2.758 1.418 45 1HZ LYS 7 1HZ LYS 7 -14.392 1.716 4.168 46 2HZ LYS 7 2HZ LYS 7 -15.395 1.016 2.999 47 3HZ LYS 7 3HZ LYS 7 -15.760 2.547 3.619 48 H ILE 8 H ILE 8 -12.385 4.678 -0.155 49 HA ILE 8 HA ILE 8 -10.912 6.695 -1.218 50 HB ILE 8 HB ILE 8 -12.261 6.816 0.873 51 1HG1 ILE 8 2HG1 ILE 8 -10.925 8.555 1.916 52 2HG1 ILE 8 1HG1 ILE 8 -9.458 7.904 1.194 53 1HG2 ILE 8 1HG2 ILE 8 -11.588 6.000 2.903 54 2HG2 ILE 8 2HG2 ILE 8 -9.880 6.019 2.465 55 3HG2 ILE 8 3HG2 ILE 8 -10.938 4.764 1.825 56 1HD1 ILE 8 1HD1 ILE 8 -10.264 9.911 0.049 57 2HD1 ILE 8 2HD1 ILE 8 -11.770 9.076 -0.335 58 3HD1 ILE 8 3HD1 ILE 8 -10.245 8.502 -1.011 59 H ILE 9 H ILE 9 -8.956 6.486 -2.096 60 HA ILE 9 HA ILE 9 -6.999 4.808 -0.716 61 HB ILE 9 HB ILE 9 -5.812 5.078 -3.061 62 1HG1 ILE 9 2HG1 ILE 9 -8.738 5.456 -3.724 63 2HG1 ILE 9 1HG1 ILE 9 -7.453 6.625 -4.020 64 1HG2 ILE 9 1HG2 ILE 9 -6.332 3.000 -2.142 65 2HG2 ILE 9 2HG2 ILE 9 -6.999 3.028 -3.773 66 3HG2 ILE 9 3HG2 ILE 9 -8.066 3.240 -2.381 67 1HD1 ILE 9 1HD1 ILE 9 -6.452 5.222 -5.653 68 2HD1 ILE 9 2HD1 ILE 9 -8.177 5.313 -6.012 69 3HD1 ILE 9 3HD1 ILE 9 -7.512 3.878 -5.230 70 H GLY 10 H GLY 10 -5.691 5.824 0.558 71 1HA GLY 10 2HA GLY 10 -4.585 8.458 -0.210 72 2HA GLY 10 1HA GLY 10 -4.699 7.855 1.447 73 H SER 11 H SER 11 -2.267 8.656 -0.292 74 HA SER 11 HA SER 11 -0.767 6.330 0.354 75 1HB SER 11 2HB SER 11 -0.630 5.356 -1.654 76 2HB SER 11 1HB SER 11 -1.907 6.443 -2.167 77 HG SER 11 HG SER 11 -0.462 7.711 -3.147 78 H ARG 12 H ARG 12 0.944 7.211 1.409 79 HA ARG 12 HA ARG 12 2.746 8.850 -0.139 80 1HB ARG 12 2HB ARG 12 1.219 10.574 0.640 81 2HB ARG 12 1HB ARG 12 1.432 10.043 2.302 82 1HG ARG 12 2HG ARG 12 2.718 12.060 1.813 83 2HG ARG 12 1HG ARG 12 3.766 10.704 2.241 84 1HD ARG 12 2HD ARG 12 4.358 10.346 -0.039 85 2HD ARG 12 1HD ARG 12 3.130 11.478 -0.600 86 HE ARG 12 HE ARG 12 5.742 12.115 0.465 87 1HH1 ARG 12 1HH1 ARG 12 2.550 13.294 -0.297 88 2HH1 ARG 12 2HH1 ARG 12 3.051 14.947 -0.414 89 1HH2 ARG 12 1HH2 ARG 12 6.404 14.291 0.317 90 2HH2 ARG 12 2HH2 ARG 12 5.237 15.513 -0.064 91 H THR 13 H THR 13 4.476 7.372 0.282 92 HA THR 13 HA THR 13 5.141 7.201 3.125 93 HB THR 13 HB THR 13 6.312 5.182 1.341 94 HG1 THR 13 1HG THR 13 4.504 4.094 1.087 95 1HG2 THR 13 1HG2 THR 13 5.860 3.793 3.414 96 2HG2 THR 13 2HG2 THR 13 5.421 5.312 4.196 97 3HG2 THR 13 3HG2 THR 13 7.051 5.084 3.566 98 H ALA 14 H ALA 14 7.171 6.494 0.289 99 HA ALA 14 HA ALA 14 8.905 8.705 1.032 100 1HB ALA 14 1HB ALA 14 9.932 5.873 1.074 101 2HB ALA 14 2HB ALA 14 9.649 6.885 2.489 102 3HB ALA 14 3HB ALA 14 10.887 7.335 1.317 103 H GLY 15 H GLY 15 8.980 5.709 -0.953 104 1HA GLY 15 2HA GLY 15 8.709 6.053 -3.403 105 2HA GLY 15 1HA GLY 15 9.732 7.468 -3.226 106 H GLU 16 H GLU 16 11.823 6.606 -1.756 107 HA GLU 16 HA GLU 16 13.408 5.241 -3.609 108 1HB GLU 16 2HB GLU 16 13.778 5.626 -0.633 109 2HB GLU 16 1HB GLU 16 15.015 4.968 -1.695 110 1HG GLU 16 2HG GLU 16 13.787 7.704 -1.946 111 2HG GLU 16 1HG GLU 16 15.349 7.348 -1.210 112 H GLY 17 H GLY 17 11.177 4.099 -1.260 113 1HA GLY 17 2HA GLY 17 11.791 1.346 -2.043 114 2HA GLY 17 1HA GLY 17 11.745 1.738 -0.331 115 H ALA 18 H ALA 18 9.630 3.239 0.098 116 HA ALA 18 HA ALA 18 7.347 1.927 -1.151 117 1HB ALA 18 1HB ALA 18 6.290 1.901 1.114 118 2HB ALA 18 2HB ALA 18 7.868 2.330 1.767 119 3HB ALA 18 3HB ALA 18 7.651 0.784 0.919 120 H MET 19 H MET 19 5.411 3.316 -1.309 121 HA MET 19 HA MET 19 5.563 5.984 -0.257 122 1HB MET 19 2HB MET 19 7.155 5.691 -2.356 123 2HB MET 19 1HB MET 19 5.669 6.084 -3.205 124 1HG MET 19 2HG MET 19 6.409 7.828 -0.945 125 2HG MET 19 1HG MET 19 7.419 7.913 -2.384 126 1HE MET 19 1HE MET 19 5.233 11.103 -2.814 127 2HE MET 19 2HE MET 19 6.867 10.441 -2.736 128 3HE MET 19 3HE MET 19 5.851 10.453 -1.294 129 H GLU 20 H GLU 20 3.445 3.810 -0.775 130 HA GLU 20 HA GLU 20 1.362 5.687 -1.322 131 1HB GLU 20 2HB GLU 20 1.165 3.284 -3.039 132 2HB GLU 20 1HB GLU 20 0.460 4.867 -3.273 133 1HG GLU 20 2HG GLU 20 2.746 5.714 -3.816 134 2HG GLU 20 1HG GLU 20 3.336 4.048 -3.724 135 H TYR 21 H TYR 21 0.447 5.227 0.563 136 HA TYR 21 HA TYR 21 0.029 2.669 1.618 137 1HB TYR 21 2HB TYR 21 0.336 4.303 3.193 138 2HB TYR 21 1HB TYR 21 -0.561 5.488 2.303 139 HD1 TYR 21 1HD TYR 21 -2.456 6.277 3.415 140 HD2 TYR 21 2HD TYR 21 -1.260 2.221 3.920 141 HE1 TYR 21 1HE TYR 21 -4.380 5.886 4.902 142 HE2 TYR 21 2HE TYR 21 -3.151 1.830 5.406 143 HH TYR 21 HH TYR 21 -5.753 3.969 5.688 144 H LEU 22 H LEU 22 -1.538 3.889 -0.882 145 HA LEU 22 HA LEU 22 -4.136 3.355 0.162 146 1HB LEU 22 2HB LEU 22 -4.995 4.418 -1.642 147 2HB LEU 22 1HB LEU 22 -3.523 5.276 -1.376 148 HG LEU 22 HG LEU 22 -3.628 5.137 -3.687 149 1HD1 LEU 22 1HD1 LEU 22 -1.966 3.365 -4.403 150 2HD1 LEU 22 2HD1 LEU 22 -1.874 2.923 -2.706 151 3HD1 LEU 22 3HD1 LEU 22 -1.441 4.549 -3.218 152 1HD2 LEU 22 1HD2 LEU 22 -3.921 2.710 -4.726 153 2HD2 LEU 22 2HD2 LEU 22 -5.272 3.796 -4.411 154 3HD2 LEU 22 3HD2 LEU 22 -4.895 2.512 -3.276 155 H ILE 23 H ILE 23 -5.266 1.801 0.104 156 HA ILE 23 HA ILE 23 -4.804 -0.616 -0.797 157 HB ILE 23 HB ILE 23 -7.200 -1.081 -0.695 158 1HG1 ILE 23 2HG1 ILE 23 -7.749 1.225 -1.746 159 2HG1 ILE 23 1HG1 ILE 23 -8.824 0.601 -0.503 160 1HG2 ILE 23 1HG2 ILE 23 -5.940 -1.072 1.342 161 2HG2 ILE 23 2HG2 ILE 23 -7.515 -0.333 1.639 162 3HG2 ILE 23 3HG2 ILE 23 -6.082 0.682 1.470 163 1HD1 ILE 23 1HD1 ILE 23 -7.454 2.017 1.131 164 2HD1 ILE 23 2HD1 ILE 23 -8.551 2.847 0.032 165 3HD1 ILE 23 3HD1 ILE 23 -6.824 2.820 -0.304 166 H GLU 24 H GLU 24 -7.437 -0.803 -2.527 167 HA GLU 24 HA GLU 24 -7.803 -1.126 -4.721 168 1HB GLU 24 2HB GLU 24 -7.461 1.379 -4.701 169 2HB GLU 24 1HB GLU 24 -5.799 1.077 -5.185 170 1HG GLU 24 2HG GLU 24 -6.589 0.000 -7.231 171 2HG GLU 24 1HG GLU 24 -8.256 0.299 -6.743 172 H TRP 25 H TRP 25 -5.352 -2.283 -3.229 173 HA TRP 25 HA TRP 25 -3.880 -3.074 -5.635 174 1HB TRP 25 2HB TRP 25 -2.132 -3.847 -3.806 175 2HB TRP 25 1HB TRP 25 -2.152 -2.208 -4.421 176 HD1 TRP 25 HD TRP 25 -4.571 -3.440 -1.641 177 HE1 TRP 25 1HE TRP 25 -3.991 -2.122 0.522 178 HE3 TRP 25 3HE TRP 25 -0.418 -0.901 -3.242 179 HZ2 TRP 25 2HZ TRP 25 -2.096 -0.264 1.393 180 HZ3 TRP 25 3HZ TRP 25 0.748 0.604 -1.647 181 HH2 TRP 25 HH TRP 25 -0.099 0.984 0.570 182 H LYS 26 H LYS 26 -6.364 -4.155 -4.658 183 HA LYS 26 HA LYS 26 -7.398 -6.157 -4.499 184 1HB LYS 26 2HB LYS 26 -4.722 -7.045 -5.559 185 2HB LYS 26 1HB LYS 26 -6.051 -8.164 -5.298 186 1HG LYS 26 2HG LYS 26 -5.851 -7.389 -7.636 187 2HG LYS 26 1HG LYS 26 -7.413 -7.020 -6.905 188 1HD LYS 26 2HD LYS 26 -6.753 -4.727 -6.545 189 2HD LYS 26 1HD LYS 26 -5.118 -5.072 -7.115 190 1HE LYS 26 2HE LYS 26 -7.637 -5.277 -8.760 191 2HE LYS 26 1HE LYS 26 -6.480 -3.950 -8.822 192 1HZ LYS 26 1HZ LYS 26 -4.785 -5.537 -9.540 193 2HZ LYS 26 2HZ LYS 26 -6.091 -5.494 -10.614 194 3HZ LYS 26 3HZ LYS 26 -5.933 -6.781 -9.529 195 H ASP 27 H ASP 27 -5.910 -5.072 -2.169 196 HA ASP 27 HA ASP 27 -5.214 -5.709 -0.085 197 1HB ASP 27 2HB ASP 27 -6.666 -7.343 0.992 198 2HB ASP 27 1HB ASP 27 -7.615 -6.280 -0.043 199 H GLY 28 H GLY 28 -3.613 -6.789 -2.257 200 1HA GLY 28 2HA GLY 28 -2.977 -9.455 -2.123 201 2HA GLY 28 1HA GLY 28 -1.789 -8.202 -2.416 202 H HIS 29 H HIS 29 -1.373 -6.919 -0.121 203 HA HIS 29 HA HIS 29 -1.098 -8.974 1.919 204 1HB HIS 29 2HB HIS 29 1.261 -7.269 0.977 205 2HB HIS 29 1HB HIS 29 1.246 -8.313 2.398 206 HD1 HIS 29 1HD HIS 29 0.845 -10.941 1.857 207 HD2 HIS 29 2HD HIS 29 2.004 -8.525 -1.320 208 HE1 HIS 29 1HE HIS 29 1.683 -12.516 0.086 209 HE2 HIS 29 2HE HIS 29 2.299 -11.037 -1.860 210 H SER 30 H SER 30 -2.668 -7.990 3.052 211 HA SER 30 HA SER 30 -3.703 -6.504 4.428 212 1HB SER 30 2HB SER 30 -1.814 -7.374 5.751 213 2HB SER 30 1HB SER 30 -0.840 -5.993 5.217 214 HG SER 30 HG SER 30 -2.982 -6.091 7.019 215 HA PRO 31 HA PRO 31 -3.881 -2.257 2.449 216 1HB PRO 31 2HB PRO 31 -5.060 -1.554 5.015 217 2HB PRO 31 1HB PRO 31 -5.844 -1.624 3.438 218 1HG PRO 31 2HG PRO 31 -5.800 -3.628 5.600 219 2HG PRO 31 1HG PRO 31 -6.948 -3.450 4.273 220 1HD PRO 31 2HD PRO 31 -5.235 -5.489 4.322 221 2HD PRO 31 1HD PRO 31 -5.607 -4.676 2.784 222 H SER 32 H SER 32 -1.823 -1.589 2.534 223 HA SER 32 HA SER 32 -0.620 -1.086 5.158 224 1HB SER 32 2HB SER 32 0.774 -2.347 2.846 225 2HB SER 32 1HB SER 32 1.535 -1.826 4.352 226 HG SER 32 HG SER 32 0.178 -4.100 3.833 227 H TRP 33 H TRP 33 0.949 0.496 5.330 228 HA TRP 33 HA TRP 33 0.579 2.514 3.296 229 1HB TRP 33 2HB TRP 33 0.477 3.012 5.769 230 2HB TRP 33 1HB TRP 33 2.184 2.593 5.887 231 HD1 TRP 33 HD TRP 33 3.794 4.254 4.149 232 HE1 TRP 33 1HE TRP 33 3.572 6.800 3.870 233 HE3 TRP 33 3HE TRP 33 -0.936 4.921 5.978 234 HZ2 TRP 33 2HZ TRP 33 1.668 8.828 4.328 235 HZ3 TRP 33 3HZ TRP 33 -1.888 7.189 6.003 236 HH2 TRP 33 HH TRP 33 -0.613 9.101 5.174 237 H VAL 34 H VAL 34 1.671 1.733 1.557 238 HA VAL 34 HA VAL 34 4.536 1.541 1.786 239 HB VAL 34 HB VAL 34 3.475 -0.956 0.629 240 1HG1 VAL 34 1HG1 VAL 34 5.164 -1.392 2.846 241 2HG1 VAL 34 2HG1 VAL 34 5.750 0.084 2.084 242 3HG1 VAL 34 3HG1 VAL 34 5.623 -1.394 1.157 243 1HG2 VAL 34 1HG2 VAL 34 1.818 -0.676 2.371 244 2HG2 VAL 34 2HG2 VAL 34 3.112 -0.540 3.565 245 3HG2 VAL 34 3HG2 VAL 34 2.897 -2.035 2.675 246 HA PRO 35 HA PRO 35 4.239 2.402 -2.605 247 1HB PRO 35 2HB PRO 35 5.995 0.978 -3.951 248 2HB PRO 35 1HB PRO 35 6.494 2.039 -2.635 249 1HG PRO 35 2HG PRO 35 6.221 -0.933 -2.686 250 2HG PRO 35 1HG PRO 35 7.392 0.060 -1.809 251 1HD PRO 35 2HD PRO 35 5.017 -1.072 -0.785 252 2HD PRO 35 1HD PRO 35 6.073 0.102 0.003 253 H SER 36 H SER 36 2.272 1.940 -3.487 254 HA SER 36 HA SER 36 0.635 0.852 -4.690 255 1HB SER 36 2HB SER 36 1.983 1.782 -6.460 256 2HB SER 36 1HB SER 36 3.121 0.438 -6.364 257 HG SER 36 HG SER 36 1.650 -0.886 -7.281 258 H SER 37 H SER 37 1.855 -0.775 -2.660 259 HA SER 37 HA SER 37 0.838 -3.284 -3.384 260 1HB SER 37 2HB SER 37 3.805 -3.411 -2.905 261 2HB SER 37 1HB SER 37 2.749 -4.614 -3.635 262 HG SER 37 HG SER 37 2.667 -3.413 -5.491 263 H TYR 38 H TYR 38 3.208 -4.233 -1.364 264 HA TYR 38 HA TYR 38 2.602 -2.950 1.077 265 1HB TYR 38 2HB TYR 38 1.523 -5.456 1.628 266 2HB TYR 38 1HB TYR 38 0.631 -3.948 1.542 267 HD1 TYR 38 1HD TYR 38 -1.216 -3.958 0.228 268 HD2 TYR 38 2HD TYR 38 2.033 -6.473 -0.850 269 HE1 TYR 38 1HE TYR 38 -2.548 -4.856 -1.639 270 HE2 TYR 38 2HE TYR 38 0.714 -7.371 -2.740 271 HH TYR 38 HH TYR 38 -1.785 -7.627 -3.274 272 H ILE 39 H ILE 39 4.688 -3.099 1.597 273 HA ILE 39 HA ILE 39 5.942 -5.709 1.448 274 HB ILE 39 HB ILE 39 7.601 -5.007 0.165 275 1HG1 ILE 39 2HG1 ILE 39 8.847 -3.875 1.854 276 2HG1 ILE 39 1HG1 ILE 39 8.827 -2.852 0.440 277 1HG2 ILE 39 1HG2 ILE 39 5.846 -2.590 -0.087 278 2HG2 ILE 39 2HG2 ILE 39 5.781 -4.040 -1.053 279 3HG2 ILE 39 3HG2 ILE 39 7.179 -2.954 -1.177 280 1HD1 ILE 39 1HD1 ILE 39 6.821 -2.375 2.583 281 2HD1 ILE 39 2HD1 ILE 39 7.544 -1.254 1.448 282 3HD1 ILE 39 3HD1 ILE 39 8.479 -1.853 2.814 283 H ALA 40 H ALA 40 4.628 -4.642 3.734 284 HA ALA 40 HA ALA 40 6.364 -3.330 5.482 285 1HB ALA 40 1HB ALA 40 3.937 -3.636 5.766 286 2HB ALA 40 2HB ALA 40 4.889 -3.949 7.220 287 3HB ALA 40 3HB ALA 40 4.250 -5.295 6.274 288 H ALA 41 H ALA 41 8.369 -4.071 5.446 289 HA ALA 41 HA ALA 41 9.396 -5.791 7.249 290 1HB ALA 41 1HB ALA 41 8.315 -7.701 6.323 291 2HB ALA 41 2HB ALA 41 10.011 -7.807 5.851 292 3HB ALA 41 3HB ALA 41 8.804 -7.265 4.685 293 H ASP 42 H ASP 42 9.554 -4.537 3.996 294 HA ASP 42 HA ASP 42 12.043 -3.296 4.347 295 1HB ASP 42 2HB ASP 42 13.408 -4.642 2.761 296 2HB ASP 42 1HB ASP 42 13.007 -5.512 4.237 297 H VAL 43 H VAL 43 11.322 -1.523 3.331 298 HA VAL 43 HA VAL 43 9.588 -1.257 1.231 299 HB VAL 43 HB VAL 43 10.454 0.957 0.871 300 1HG1 VAL 43 1HG1 VAL 43 10.582 0.216 3.787 301 2HG1 VAL 43 2HG1 VAL 43 9.110 0.547 2.875 302 3HG1 VAL 43 3HG1 VAL 43 10.295 1.828 3.131 303 1HG2 VAL 43 1HG2 VAL 43 12.506 1.698 2.055 304 2HG2 VAL 43 2HG2 VAL 43 12.818 0.503 0.796 305 3HG2 VAL 43 3HG2 VAL 43 12.817 0.019 2.491 306 H VAL 44 H VAL 44 9.544 -1.668 -0.874 307 HA VAL 44 HA VAL 44 11.753 -1.349 -2.550 308 HB VAL 44 HB VAL 44 12.391 -3.344 -1.205 309 1HG1 VAL 44 1HG1 VAL 44 10.430 -4.789 -2.971 310 2HG1 VAL 44 2HG1 VAL 44 10.170 -4.434 -1.264 311 3HG1 VAL 44 3HG1 VAL 44 11.489 -5.498 -1.752 312 1HG2 VAL 44 1HG2 VAL 44 13.536 -2.760 -3.260 313 2HG2 VAL 44 2HG2 VAL 44 12.315 -3.613 -4.205 314 3HG2 VAL 44 3HG2 VAL 44 13.387 -4.513 -3.131 315 H SER 45 H SER 45 8.974 -0.793 -2.576 316 HA SER 45 HA SER 45 7.367 -0.487 -4.163 317 1HB SER 45 2HB SER 45 9.072 -0.143 -5.780 318 2HB SER 45 1HB SER 45 9.368 -1.875 -5.923 319 HG SER 45 HG SER 45 6.950 -0.559 -6.611 320 H GLU 46 H GLU 46 7.967 -3.389 -2.858 321 HA GLU 46 HA GLU 46 5.402 -4.405 -3.331 322 1HB GLU 46 2HB GLU 46 6.079 -4.782 -5.615 323 2HB GLU 46 1HB GLU 46 7.533 -5.620 -5.093 324 1HG GLU 46 2HG GLU 46 6.198 -7.426 -4.187 325 2HG GLU 46 1HG GLU 46 4.717 -6.571 -4.615 326 H TYR 47 H TYR 47 4.940 -6.392 -2.356 327 HA TYR 47 HA TYR 47 6.278 -6.933 0.008 328 1HB TYR 47 2HB TYR 47 3.903 -7.608 -0.574 329 2HB TYR 47 1HB TYR 47 4.593 -8.936 -1.507 330 HD1 TYR 47 1HD TYR 47 5.386 -7.522 1.858 331 HD2 TYR 47 2HD TYR 47 4.220 -10.930 -0.405 332 HE1 TYR 47 1HE TYR 47 5.461 -8.895 3.898 333 HE2 TYR 47 2HE TYR 47 4.292 -12.313 1.629 334 HH TYR 47 HH TYR 47 5.379 -12.282 3.842 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -13.465 -4.671 7.364 2 2H GLY 1 2HT GLY 1 -12.891 -4.115 5.874 3 3H GLY 1 3HT GLY 1 -14.529 -4.488 6.062 4 1HA GLY 1 1HA GLY 1 -14.208 -2.100 6.078 5 2HA GLY 1 2HA GLY 1 -14.813 -2.679 7.624 6 H SER 2 H SER 2 -11.584 -2.513 6.122 7 HA SER 2 HA SER 2 -10.592 -0.468 7.759 8 1HB SER 2 2HB SER 2 -10.868 -2.069 9.591 9 2HB SER 2 1HB SER 2 -9.910 -3.261 8.712 10 HG SER 2 HG SER 2 -8.734 -2.044 10.324 11 H GLY 3 H GLY 3 -10.459 -1.209 5.060 12 1HA GLY 3 2HA GLY 3 -8.511 -0.608 3.716 13 2HA GLY 3 1HA GLY 3 -7.553 -1.643 4.764 14 H GLU 4 H GLU 4 -7.020 -2.330 2.377 15 HA GLU 4 HA GLU 4 -7.184 -3.865 0.710 16 1HB GLU 4 2HB GLU 4 -6.719 -5.716 1.869 17 2HB GLU 4 1HB GLU 4 -7.596 -5.126 3.263 18 1HG GLU 4 2HG GLU 4 -9.665 -6.083 2.352 19 2HG GLU 4 1HG GLU 4 -8.761 -6.700 0.972 20 H VAL 5 H VAL 5 -9.460 -1.992 1.183 21 HA VAL 5 HA VAL 5 -11.694 -3.521 0.048 22 HB VAL 5 HB VAL 5 -11.873 -0.676 0.991 23 1HG1 VAL 5 1HG1 VAL 5 -13.742 -1.552 -0.285 24 2HG1 VAL 5 2HG1 VAL 5 -14.223 -1.318 1.396 25 3HG1 VAL 5 3HG1 VAL 5 -13.869 -2.938 0.797 26 1HG2 VAL 5 1HG2 VAL 5 -11.902 -3.163 2.685 27 2HG2 VAL 5 2HG2 VAL 5 -12.726 -1.684 3.178 28 3HG2 VAL 5 3HG2 VAL 5 -10.982 -1.676 2.920 29 H ASN 6 H ASN 6 -9.258 -1.239 -0.719 30 HA ASN 6 HA ASN 6 -8.800 -0.032 -2.593 31 1HB ASN 6 2HB ASN 6 -9.196 -2.180 -3.702 32 2HB ASN 6 1HB ASN 6 -10.921 -1.847 -3.771 33 1HD2 ASN 6 1HD2 ASN 6 -8.606 -2.233 -5.735 34 2HD2 ASN 6 2HD2 ASN 6 -8.855 -0.967 -6.889 35 H LYS 7 H LYS 7 -9.973 1.604 -1.107 36 HA LYS 7 HA LYS 7 -12.019 2.949 -2.648 37 1HB LYS 7 2HB LYS 7 -13.564 3.048 -0.782 38 2HB LYS 7 1HB LYS 7 -13.165 1.361 -1.079 39 1HG LYS 7 2HG LYS 7 -11.386 1.607 0.725 40 2HG LYS 7 1HG LYS 7 -12.179 3.135 1.131 41 1HD LYS 7 2HD LYS 7 -14.229 2.035 1.652 42 2HD LYS 7 1HD LYS 7 -13.632 0.502 1.019 43 1HE LYS 7 2HE LYS 7 -13.592 0.548 3.468 44 2HE LYS 7 1HE LYS 7 -11.971 0.394 2.792 45 1HZ LYS 7 1HZ LYS 7 -12.065 1.994 4.617 46 2HZ LYS 7 2HZ LYS 7 -13.183 2.927 3.758 47 3HZ LYS 7 3HZ LYS 7 -11.610 2.738 3.167 48 H ILE 8 H ILE 8 -12.596 4.596 -0.221 49 HA ILE 8 HA ILE 8 -10.922 6.703 -0.508 50 HB ILE 8 HB ILE 8 -13.095 6.448 0.748 51 1HG1 ILE 8 2HG1 ILE 8 -11.868 8.571 0.580 52 2HG1 ILE 8 1HG1 ILE 8 -12.668 8.423 2.141 53 1HG2 ILE 8 1HG2 ILE 8 -12.157 4.703 2.323 54 2HG2 ILE 8 2HG2 ILE 8 -13.159 5.968 3.034 55 3HG2 ILE 8 3HG2 ILE 8 -11.405 6.045 3.185 56 1HD1 ILE 8 1HD1 ILE 8 -9.746 8.037 1.553 57 2HD1 ILE 8 2HD1 ILE 8 -10.503 7.688 3.107 58 3HD1 ILE 8 3HD1 ILE 8 -10.495 9.336 2.481 59 H ILE 9 H ILE 9 -8.767 6.378 -0.584 60 HA ILE 9 HA ILE 9 -7.431 5.928 1.925 61 HB ILE 9 HB ILE 9 -7.811 3.663 0.899 62 1HG1 ILE 9 2HG1 ILE 9 -5.726 2.797 1.591 63 2HG1 ILE 9 1HG1 ILE 9 -4.884 4.288 1.213 64 1HG2 ILE 9 1HG2 ILE 9 -7.545 4.097 -1.372 65 2HG2 ILE 9 2HG2 ILE 9 -6.228 3.027 -0.897 66 3HG2 ILE 9 3HG2 ILE 9 -5.926 4.752 -1.127 67 1HD1 ILE 9 1HD1 ILE 9 -5.586 5.304 3.137 68 2HD1 ILE 9 2HD1 ILE 9 -5.496 3.624 3.668 69 3HD1 ILE 9 3HD1 ILE 9 -7.051 4.331 3.241 70 H GLY 10 H GLY 10 -4.877 6.100 1.461 71 1HA GLY 10 2HA GLY 10 -4.514 8.230 -0.529 72 2HA GLY 10 1HA GLY 10 -4.026 8.502 1.137 73 H SER 11 H SER 11 -2.099 8.791 -0.751 74 HA SER 11 HA SER 11 -0.416 6.514 -0.147 75 1HB SER 11 2HB SER 11 0.267 6.316 -2.576 76 2HB SER 11 1HB SER 11 -1.378 5.792 -2.227 77 HG SER 11 HG SER 11 -2.014 7.228 -3.603 78 H ARG 12 H ARG 12 1.116 7.636 0.939 79 HA ARG 12 HA ARG 12 2.961 9.167 -0.666 80 1HB ARG 12 2HB ARG 12 1.328 10.904 -0.020 81 2HB ARG 12 1HB ARG 12 1.622 10.535 1.674 82 1HG ARG 12 2HG ARG 12 3.894 11.286 1.504 83 2HG ARG 12 1HG ARG 12 3.735 11.501 -0.240 84 1HD ARG 12 2HD ARG 12 3.559 13.649 0.810 85 2HD ARG 12 1HD ARG 12 1.972 13.199 0.189 86 HE ARG 12 HE ARG 12 2.019 12.357 2.810 87 1HH1 ARG 12 1HH1 ARG 12 2.367 15.377 1.112 88 2HH1 ARG 12 2HH1 ARG 12 1.728 16.331 2.410 89 1HH2 ARG 12 1HH2 ARG 12 1.173 13.603 4.526 90 2HH2 ARG 12 2HH2 ARG 12 1.047 15.321 4.349 91 H THR 13 H THR 13 4.706 7.786 -0.070 92 HA THR 13 HA THR 13 5.182 7.698 2.820 93 HB THR 13 HB THR 13 6.571 5.688 1.199 94 HG1 THR 13 1HG THR 13 4.710 4.379 1.132 95 1HG2 THR 13 1HG2 THR 13 5.891 4.293 3.171 96 2HG2 THR 13 2HG2 THR 13 5.214 5.763 3.873 97 3HG2 THR 13 3HG2 THR 13 6.942 5.660 3.540 98 H ALA 14 H ALA 14 7.538 6.929 0.260 99 HA ALA 14 HA ALA 14 9.070 9.287 0.998 100 1HB ALA 14 1HB ALA 14 9.691 7.695 2.731 101 2HB ALA 14 2HB ALA 14 11.056 8.038 1.666 102 3HB ALA 14 3HB ALA 14 10.163 6.525 1.499 103 H GLY 15 H GLY 15 9.439 6.135 -0.658 104 1HA GLY 15 2HA GLY 15 9.513 6.237 -3.133 105 2HA GLY 15 1HA GLY 15 10.541 7.650 -2.953 106 H GLU 16 H GLU 16 12.104 6.545 -0.777 107 HA GLU 16 HA GLU 16 14.158 5.317 -2.229 108 1HB GLU 16 2HB GLU 16 14.302 6.509 0.027 109 2HB GLU 16 1HB GLU 16 13.740 5.006 0.744 110 1HG GLU 16 2HG GLU 16 16.100 5.056 0.937 111 2HG GLU 16 1HG GLU 16 15.696 3.864 -0.296 112 H GLY 17 H GLY 17 11.400 4.048 -0.564 113 1HA GLY 17 2HA GLY 17 11.902 1.413 -1.702 114 2HA GLY 17 1HA GLY 17 11.778 1.499 0.051 115 H ALA 18 H ALA 18 9.784 3.465 0.254 116 HA ALA 18 HA ALA 18 7.451 2.247 -1.049 117 1HB ALA 18 1HB ALA 18 7.523 1.340 1.177 118 2HB ALA 18 2HB ALA 18 6.247 2.561 1.117 119 3HB ALA 18 3HB ALA 18 7.799 2.948 1.860 120 H MET 19 H MET 19 5.681 3.732 -1.388 121 HA MET 19 HA MET 19 5.966 6.459 -0.557 122 1HB MET 19 2HB MET 19 7.469 5.861 -2.724 123 2HB MET 19 1HB MET 19 5.969 6.357 -3.499 124 1HG MET 19 2HG MET 19 6.038 8.476 -2.357 125 2HG MET 19 1HG MET 19 7.469 7.970 -1.468 126 1HE MET 19 1HE MET 19 6.000 8.896 -4.989 127 2HE MET 19 2HE MET 19 6.645 7.274 -5.248 128 3HE MET 19 3HE MET 19 7.404 8.661 -6.031 129 H GLU 20 H GLU 20 3.893 4.345 -0.624 130 HA GLU 20 HA GLU 20 1.756 6.087 -1.459 131 1HB GLU 20 2HB GLU 20 1.909 3.296 -2.566 132 2HB GLU 20 1HB GLU 20 0.625 4.443 -2.852 133 1HG GLU 20 2HG GLU 20 2.499 5.901 -3.871 134 2HG GLU 20 1HG GLU 20 3.416 4.389 -3.924 135 H TYR 21 H TYR 21 -0.447 4.690 -0.959 136 HA TYR 21 HA TYR 21 -0.131 2.897 1.242 137 1HB TYR 21 2HB TYR 21 0.252 4.704 2.576 138 2HB TYR 21 1HB TYR 21 -0.720 5.771 1.600 139 HD1 TYR 21 1HD TYR 21 -2.328 6.738 2.770 140 HD2 TYR 21 2HD TYR 21 -1.490 2.636 3.570 141 HE1 TYR 21 1HE TYR 21 -4.083 6.727 4.446 142 HE2 TYR 21 2HE TYR 21 -3.259 2.621 5.282 143 HH TYR 21 HH TYR 21 -4.470 4.195 6.709 144 H LEU 22 H LEU 22 -1.800 3.567 -1.346 145 HA LEU 22 HA LEU 22 -4.390 3.243 -0.320 146 1HB LEU 22 2HB LEU 22 -5.181 3.709 -2.510 147 2HB LEU 22 1HB LEU 22 -3.763 4.706 -2.308 148 HG LEU 22 HG LEU 22 -3.813 2.075 -3.790 149 1HD1 LEU 22 1HD1 LEU 22 -3.815 4.819 -5.003 150 2HD1 LEU 22 2HD1 LEU 22 -5.285 3.882 -4.746 151 3HD1 LEU 22 3HD1 LEU 22 -4.022 3.267 -5.813 152 1HD2 LEU 22 1HD2 LEU 22 -1.750 3.128 -4.857 153 2HD2 LEU 22 2HD2 LEU 22 -1.578 2.496 -3.224 154 3HD2 LEU 22 3HD2 LEU 22 -1.750 4.236 -3.488 155 H ILE 23 H ILE 23 -5.387 1.674 0.177 156 HA ILE 23 HA ILE 23 -4.908 -0.952 -0.256 157 HB ILE 23 HB ILE 23 -7.236 -1.306 0.419 158 1HG1 ILE 23 2HG1 ILE 23 -7.353 1.687 0.005 159 2HG1 ILE 23 1HG1 ILE 23 -8.397 0.463 -0.708 160 1HG2 ILE 23 1HG2 ILE 23 -6.966 -0.375 2.599 161 2HG2 ILE 23 2HG2 ILE 23 -5.923 0.907 1.989 162 3HG2 ILE 23 3HG2 ILE 23 -5.355 -0.764 1.997 163 1HD1 ILE 23 1HD1 ILE 23 -8.279 1.114 2.222 164 2HD1 ILE 23 2HD1 ILE 23 -9.417 0.030 1.420 165 3HD1 ILE 23 3HD1 ILE 23 -9.473 1.764 1.095 166 H GLU 24 H GLU 24 -6.101 1.370 -2.452 167 HA GLU 24 HA GLU 24 -7.714 0.217 -4.215 168 1HB GLU 24 2HB GLU 24 -6.500 2.429 -4.397 169 2HB GLU 24 1HB GLU 24 -5.147 1.540 -5.084 170 1HG GLU 24 2HG GLU 24 -6.348 2.431 -6.900 171 2HG GLU 24 1HG GLU 24 -6.725 0.710 -6.853 172 H TRP 25 H TRP 25 -4.419 -0.796 -3.573 173 HA TRP 25 HA TRP 25 -4.012 -2.447 -5.771 174 1HB TRP 25 2HB TRP 25 -2.625 -3.828 -3.979 175 2HB TRP 25 1HB TRP 25 -2.093 -2.250 -4.516 176 HD1 TRP 25 HD TRP 25 -4.407 -3.479 -1.610 177 HE1 TRP 25 1HE TRP 25 -3.659 -2.217 0.529 178 HE3 TRP 25 3HE TRP 25 -0.654 -0.559 -3.553 179 HZ2 TRP 25 2HZ TRP 25 -1.859 -0.294 1.253 180 HZ3 TRP 25 3HZ TRP 25 0.543 0.969 -1.988 181 HH2 TRP 25 HH TRP 25 -0.057 1.106 0.320 182 H LYS 26 H LYS 26 -3.730 -5.118 -4.629 183 HA LYS 26 HA LYS 26 -6.590 -5.769 -4.533 184 1HB LYS 26 2HB LYS 26 -4.253 -7.403 -5.525 185 2HB LYS 26 1HB LYS 26 -5.894 -8.018 -5.377 186 1HG LYS 26 2HG LYS 26 -6.646 -6.265 -6.951 187 2HG LYS 26 1HG LYS 26 -4.964 -5.775 -7.157 188 1HD LYS 26 2HD LYS 26 -4.419 -8.019 -7.982 189 2HD LYS 26 1HD LYS 26 -6.106 -8.497 -7.783 190 1HE LYS 26 2HE LYS 26 -6.768 -6.758 -9.391 191 2HE LYS 26 1HE LYS 26 -5.070 -6.333 -9.612 192 1HZ LYS 26 1HZ LYS 26 -6.325 -8.945 -10.265 193 2HZ LYS 26 2HZ LYS 26 -4.676 -8.601 -10.413 194 3HZ LYS 26 3HZ LYS 26 -5.800 -7.780 -11.373 195 H ASP 27 H ASP 27 -5.461 -5.013 -2.161 196 HA ASP 27 HA ASP 27 -4.910 -5.699 -0.035 197 1HB ASP 27 2HB ASP 27 -6.489 -7.363 0.848 198 2HB ASP 27 1HB ASP 27 -7.301 -6.184 -0.176 199 H GLY 28 H GLY 28 -3.199 -6.867 -2.142 200 1HA GLY 28 2HA GLY 28 -2.710 -9.581 -1.808 201 2HA GLY 28 1HA GLY 28 -1.484 -8.413 -2.255 202 H HIS 29 H HIS 29 -1.100 -6.872 -0.064 203 HA HIS 29 HA HIS 29 -0.747 -8.768 2.124 204 1HB HIS 29 2HB HIS 29 1.492 -7.008 1.059 205 2HB HIS 29 1HB HIS 29 1.547 -7.933 2.556 206 HD1 HIS 29 1HD HIS 29 1.912 -8.280 -1.115 207 HD2 HIS 29 2HD HIS 29 1.716 -10.748 2.221 208 HE1 HIS 29 1HE HIS 29 2.703 -10.533 -1.899 209 HE2 HIS 29 2HE HIS 29 2.565 -12.016 0.133 210 H SER 30 H SER 30 -2.331 -7.809 3.225 211 HA SER 30 HA SER 30 -3.401 -6.320 4.562 212 1HB SER 30 2HB SER 30 -0.556 -5.621 5.245 213 2HB SER 30 1HB SER 30 -1.974 -5.415 6.287 214 HG SER 30 HG SER 30 -0.854 -7.854 5.361 215 HA PRO 31 HA PRO 31 -3.951 -2.129 2.490 216 1HB PRO 31 2HB PRO 31 -4.962 -1.606 5.206 217 2HB PRO 31 1HB PRO 31 -5.846 -1.589 3.690 218 1HG PRO 31 2HG PRO 31 -5.636 -3.726 5.680 219 2HG PRO 31 1HG PRO 31 -6.808 -3.540 4.376 220 1HD PRO 31 2HD PRO 31 -4.980 -5.476 4.293 221 2HD PRO 31 1HD PRO 31 -5.420 -4.608 2.803 222 H SER 32 H SER 32 -1.854 -1.488 2.445 223 HA SER 32 HA SER 32 -0.526 -0.804 4.969 224 1HB SER 32 2HB SER 32 0.786 -2.018 2.590 225 2HB SER 32 1HB SER 32 1.601 -1.434 4.043 226 HG SER 32 HG SER 32 0.769 -3.042 5.215 227 H TRP 33 H TRP 33 0.965 0.877 5.039 228 HA TRP 33 HA TRP 33 0.477 2.841 2.941 229 1HB TRP 33 2HB TRP 33 0.456 3.417 5.405 230 2HB TRP 33 1HB TRP 33 2.173 3.029 5.466 231 HD1 TRP 33 HD TRP 33 3.671 4.611 3.574 232 HE1 TRP 33 1HE TRP 33 3.441 7.141 3.215 233 HE3 TRP 33 3HE TRP 33 -0.955 5.328 5.616 234 HZ2 TRP 33 2HZ TRP 33 1.551 9.185 3.706 235 HZ3 TRP 33 3HZ TRP 33 -1.906 7.597 5.623 236 HH2 TRP 33 HH TRP 33 -0.679 9.484 4.675 237 H VAL 34 H VAL 34 1.518 1.934 1.238 238 HA VAL 34 HA VAL 34 4.400 1.914 1.270 239 HB VAL 34 HB VAL 34 3.387 -0.682 0.294 240 1HG1 VAL 34 1HG1 VAL 34 5.765 0.485 1.381 241 2HG1 VAL 34 2HG1 VAL 34 5.571 -1.142 0.747 242 3HG1 VAL 34 3HG1 VAL 34 5.296 -0.831 2.450 243 1HG2 VAL 34 1HG2 VAL 34 2.988 -1.697 2.417 244 2HG2 VAL 34 2HG2 VAL 34 1.865 -0.357 2.165 245 3HG2 VAL 34 3HG2 VAL 34 3.253 -0.164 3.238 246 HA PRO 35 HA PRO 35 3.879 2.754 -3.014 247 1HB PRO 35 2HB PRO 35 5.862 1.640 -4.321 248 2HB PRO 35 1HB PRO 35 6.194 2.718 -2.957 249 1HG PRO 35 2HG PRO 35 6.171 -0.273 -3.042 250 2HG PRO 35 1HG PRO 35 7.356 0.806 -2.296 251 1HD PRO 35 2HD PRO 35 5.269 -0.427 -0.972 252 2HD PRO 35 1HD PRO 35 6.109 1.015 -0.403 253 H SER 36 H SER 36 2.100 2.129 -3.993 254 HA SER 36 HA SER 36 0.679 1.070 -5.394 255 1HB SER 36 2HB SER 36 2.443 1.605 -6.985 256 2HB SER 36 1HB SER 36 3.284 0.107 -6.587 257 HG SER 36 HG SER 36 0.714 0.346 -7.769 258 H SER 37 H SER 37 1.756 -0.510 -2.983 259 HA SER 37 HA SER 37 0.208 -2.772 -3.471 260 1HB SER 37 2HB SER 37 2.160 -3.356 -4.928 261 2HB SER 37 1HB SER 37 3.163 -3.416 -3.484 262 HG SER 37 HG SER 37 2.105 -5.440 -4.323 263 H TYR 38 H TYR 38 3.011 -3.649 -1.691 264 HA TYR 38 HA TYR 38 2.457 -2.530 0.809 265 1HB TYR 38 2HB TYR 38 1.750 -5.118 1.433 266 2HB TYR 38 1HB TYR 38 0.663 -3.748 1.421 267 HD1 TYR 38 1HD TYR 38 -1.191 -3.779 0.031 268 HD2 TYR 38 2HD TYR 38 2.052 -6.383 -0.810 269 HE1 TYR 38 1HE TYR 38 -2.551 -4.897 -1.691 270 HE2 TYR 38 2HE TYR 38 0.703 -7.494 -2.555 271 HH TYR 38 HH TYR 38 -1.635 -7.857 -3.102 272 H ILE 39 H ILE 39 4.456 -2.660 1.630 273 HA ILE 39 HA ILE 39 5.999 -5.073 1.198 274 HB ILE 39 HB ILE 39 7.603 -4.222 -0.125 275 1HG1 ILE 39 2HG1 ILE 39 7.289 -1.649 1.405 276 2HG1 ILE 39 1HG1 ILE 39 8.713 -2.652 1.213 277 1HG2 ILE 39 1HG2 ILE 39 5.340 -2.311 -0.641 278 2HG2 ILE 39 2HG2 ILE 39 5.622 -3.861 -1.402 279 3HG2 ILE 39 3HG2 ILE 39 6.715 -2.516 -1.722 280 1HD1 ILE 39 1HD1 ILE 39 7.574 -0.631 -0.663 281 2HD1 ILE 39 2HD1 ILE 39 8.629 -1.912 -1.251 282 3HD1 ILE 39 3HD1 ILE 39 9.214 -0.779 -0.035 283 H ALA 40 H ALA 40 4.737 -3.925 3.468 284 HA ALA 40 HA ALA 40 6.509 -2.484 5.097 285 1HB ALA 40 1HB ALA 40 4.074 -2.818 5.451 286 2HB ALA 40 2HB ALA 40 5.060 -3.065 6.895 287 3HB ALA 40 3HB ALA 40 4.430 -4.453 6.006 288 H ALA 41 H ALA 41 8.546 -3.336 4.897 289 HA ALA 41 HA ALA 41 9.678 -4.859 6.780 290 1HB ALA 41 1HB ALA 41 8.633 -6.688 4.630 291 2HB ALA 41 2HB ALA 41 8.426 -6.816 6.377 292 3HB ALA 41 3HB ALA 41 10.002 -7.122 5.652 293 H ASP 42 H ASP 42 10.345 -2.777 5.011 294 HA ASP 42 HA ASP 42 12.037 -1.961 3.739 295 1HB ASP 42 2HB ASP 42 13.394 -2.854 5.567 296 2HB ASP 42 1HB ASP 42 13.461 -4.423 4.769 297 H VAL 43 H VAL 43 10.908 -2.268 1.751 298 HA VAL 43 HA VAL 43 12.343 -4.014 -0.069 299 HB VAL 43 HB VAL 43 9.434 -4.266 -0.452 300 1HG1 VAL 43 1HG1 VAL 43 11.887 -5.674 -1.105 301 2HG1 VAL 43 2HG1 VAL 43 10.336 -5.646 -1.947 302 3HG1 VAL 43 3HG1 VAL 43 10.587 -6.753 -0.598 303 1HG2 VAL 43 1HG2 VAL 43 9.520 -4.588 1.966 304 2HG2 VAL 43 2HG2 VAL 43 10.800 -5.784 1.768 305 3HG2 VAL 43 3HG2 VAL 43 9.183 -6.113 1.144 306 H VAL 44 H VAL 44 10.426 -3.730 -2.244 307 HA VAL 44 HA VAL 44 9.894 -0.909 -2.467 308 HB VAL 44 HB VAL 44 12.244 -0.867 -2.953 309 1HG1 VAL 44 1HG1 VAL 44 12.542 -3.189 -3.640 310 2HG1 VAL 44 2HG1 VAL 44 13.204 -2.086 -4.847 311 3HG1 VAL 44 3HG1 VAL 44 11.651 -2.873 -5.129 312 1HG2 VAL 44 1HG2 VAL 44 10.856 0.676 -4.201 313 2HG2 VAL 44 2HG2 VAL 44 10.574 -0.543 -5.445 314 3HG2 VAL 44 3HG2 VAL 44 12.192 0.120 -5.212 315 H SER 45 H SER 45 8.057 -0.744 -3.410 316 HA SER 45 HA SER 45 6.343 -0.867 -4.854 317 1HB SER 45 2HB SER 45 6.732 -1.409 -7.143 318 2HB SER 45 1HB SER 45 8.187 -0.617 -6.544 319 HG SER 45 HG SER 45 8.218 -2.787 -7.801 320 H GLU 46 H GLU 46 7.394 -3.435 -3.253 321 HA GLU 46 HA GLU 46 5.012 -4.866 -3.436 322 1HB GLU 46 2HB GLU 46 5.886 -5.404 -5.721 323 2HB GLU 46 1HB GLU 46 7.242 -6.221 -4.966 324 1HG GLU 46 2HG GLU 46 5.704 -7.781 -3.890 325 2HG GLU 46 1HG GLU 46 4.343 -6.961 -4.654 326 H TYR 47 H TYR 47 4.950 -6.755 -2.141 327 HA TYR 47 HA TYR 47 6.613 -6.638 0.119 328 1HB TYR 47 2HB TYR 47 4.301 -7.483 0.179 329 2HB TYR 47 1HB TYR 47 4.791 -8.879 -0.776 330 HD1 TYR 47 1HD TYR 47 5.942 -7.145 2.336 331 HD2 TYR 47 2HD TYR 47 5.052 -10.830 0.405 332 HE1 TYR 47 1HE TYR 47 6.503 -8.355 4.402 333 HE2 TYR 47 2HE TYR 47 5.610 -12.051 2.468 334 HH TYR 47 HH TYR 47 6.953 -11.714 4.503 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -12.201 -0.763 10.391 2 2H GLY 1 2HT GLY 1 -12.235 -2.166 11.333 3 3H GLY 1 3HT GLY 1 -12.972 -2.152 9.810 4 1HA GLY 1 1HA GLY 1 -10.063 -1.899 10.344 5 2HA GLY 1 2HA GLY 1 -10.869 -3.330 9.721 6 H SER 2 H SER 2 -9.496 -0.281 8.973 7 HA SER 2 HA SER 2 -10.604 -0.093 6.323 8 1HB SER 2 2HB SER 2 -9.039 1.797 6.050 9 2HB SER 2 1HB SER 2 -9.973 1.940 7.540 10 HG SER 2 HG SER 2 -7.701 2.354 7.800 11 H GLY 3 H GLY 3 -9.428 -0.301 4.360 12 1HA GLY 3 2HA GLY 3 -7.428 -0.909 3.163 13 2HA GLY 3 1HA GLY 3 -6.938 -1.862 4.557 14 H GLU 4 H GLU 4 -7.109 -2.693 1.780 15 HA GLU 4 HA GLU 4 -7.772 -4.509 0.586 16 1HB GLU 4 2HB GLU 4 -7.214 -5.924 2.302 17 2HB GLU 4 1HB GLU 4 -8.486 -5.327 3.363 18 1HG GLU 4 2HG GLU 4 -9.229 -6.803 0.880 19 2HG GLU 4 1HG GLU 4 -8.641 -7.697 2.280 20 H VAL 5 H VAL 5 -9.779 -2.205 1.459 21 HA VAL 5 HA VAL 5 -12.298 -3.463 0.690 22 HB VAL 5 HB VAL 5 -11.818 -0.531 1.146 23 1HG1 VAL 5 1HG1 VAL 5 -14.272 -2.267 1.405 24 2HG1 VAL 5 2HG1 VAL 5 -13.935 -1.101 0.125 25 3HG1 VAL 5 3HG1 VAL 5 -14.202 -0.544 1.777 26 1HG2 VAL 5 1HG2 VAL 5 -10.967 -1.748 3.101 27 2HG2 VAL 5 2HG2 VAL 5 -12.517 -2.576 3.258 28 3HG2 VAL 5 3HG2 VAL 5 -12.421 -0.831 3.492 29 H ASN 6 H ASN 6 -9.902 -1.224 -0.361 30 HA ASN 6 HA ASN 6 -9.227 -0.438 -2.343 31 1HB ASN 6 2HB ASN 6 -11.092 -1.896 -4.073 32 2HB ASN 6 1HB ASN 6 -9.339 -1.747 -4.116 33 1HD2 ASN 6 1HD2 ASN 6 -8.083 -3.298 -3.283 34 2HD2 ASN 6 2HD2 ASN 6 -8.680 -4.760 -2.584 35 H LYS 7 H LYS 7 -10.015 1.592 -1.872 36 HA LYS 7 HA LYS 7 -12.153 2.497 -3.590 37 1HB LYS 7 2HB LYS 7 -13.309 3.642 -1.747 38 2HB LYS 7 1HB LYS 7 -13.272 1.908 -1.467 39 1HG LYS 7 2HG LYS 7 -11.322 2.236 0.036 40 2HG LYS 7 1HG LYS 7 -11.518 3.981 -0.169 41 1HD LYS 7 2HD LYS 7 -13.613 2.108 0.931 42 2HD LYS 7 1HD LYS 7 -12.575 3.160 1.896 43 1HE LYS 7 2HE LYS 7 -13.524 5.119 0.805 44 2HE LYS 7 1HE LYS 7 -14.533 4.083 -0.203 45 1HZ LYS 7 1HZ LYS 7 -15.743 5.001 1.696 46 2HZ LYS 7 2HZ LYS 7 -14.674 4.235 2.760 47 3HZ LYS 7 3HZ LYS 7 -15.677 3.311 1.760 48 H ILE 8 H ILE 8 -12.057 5.069 -1.922 49 HA ILE 8 HA ILE 8 -10.107 6.434 -3.329 50 HB ILE 8 HB ILE 8 -12.080 7.275 -1.955 51 1HG1 ILE 8 2HG1 ILE 8 -10.497 8.724 -3.192 52 2HG1 ILE 8 1HG1 ILE 8 -11.106 9.496 -1.731 53 1HG2 ILE 8 1HG2 ILE 8 -11.406 6.294 0.188 54 2HG2 ILE 8 2HG2 ILE 8 -11.667 8.034 0.300 55 3HG2 ILE 8 3HG2 ILE 8 -10.027 7.391 0.240 56 1HD1 ILE 8 1HD1 ILE 8 -9.017 8.887 -0.579 57 2HD1 ILE 8 2HD1 ILE 8 -8.757 9.934 -1.974 58 3HD1 ILE 8 3HD1 ILE 8 -8.411 8.209 -2.090 59 H ILE 9 H ILE 9 -7.927 6.245 -3.241 60 HA ILE 9 HA ILE 9 -6.772 5.278 -0.741 61 HB ILE 9 HB ILE 9 -4.851 4.493 -2.065 62 1HG1 ILE 9 2HG1 ILE 9 -6.488 5.150 -4.509 63 2HG1 ILE 9 1HG1 ILE 9 -5.227 6.217 -3.899 64 1HG2 ILE 9 1HG2 ILE 9 -7.106 3.278 -3.508 65 2HG2 ILE 9 2HG2 ILE 9 -7.217 3.270 -1.749 66 3HG2 ILE 9 3HG2 ILE 9 -5.827 2.533 -2.549 67 1HD1 ILE 9 1HD1 ILE 9 -4.692 3.346 -4.568 68 2HD1 ILE 9 2HD1 ILE 9 -3.540 4.666 -4.367 69 3HD1 ILE 9 3HD1 ILE 9 -4.604 4.632 -5.773 70 H GLY 10 H GLY 10 -5.261 6.330 0.335 71 1HA GLY 10 2HA GLY 10 -4.145 8.806 -0.780 72 2HA GLY 10 1HA GLY 10 -4.180 8.361 0.935 73 H SER 11 H SER 11 -1.777 9.018 -0.762 74 HA SER 11 HA SER 11 -0.298 6.639 -0.131 75 1HB SER 11 2HB SER 11 0.559 6.750 -2.677 76 2HB SER 11 1HB SER 11 -0.797 5.743 -2.168 77 HG SER 11 HG SER 11 -0.788 8.180 -3.556 78 H ARG 12 H ARG 12 1.248 7.589 1.040 79 HA ARG 12 HA ARG 12 3.203 9.191 -0.368 80 1HB ARG 12 2HB ARG 12 1.751 10.320 2.031 81 2HB ARG 12 1HB ARG 12 3.199 11.015 1.316 82 1HG ARG 12 2HG ARG 12 1.974 11.359 -0.787 83 2HG ARG 12 1HG ARG 12 0.519 10.714 -0.024 84 1HD ARG 12 2HD ARG 12 0.480 13.141 -0.004 85 2HD ARG 12 1HD ARG 12 0.605 12.515 1.639 86 HE ARG 12 HE ARG 12 3.173 13.065 0.577 87 1HH1 ARG 12 1HH1 ARG 12 0.339 14.619 1.874 88 2HH1 ARG 12 2HH1 ARG 12 1.204 16.005 2.448 89 1HH2 ARG 12 1HH2 ARG 12 4.322 14.884 1.331 90 2HH2 ARG 12 2HH2 ARG 12 3.469 16.156 2.139 91 H THR 13 H THR 13 4.904 7.772 0.105 92 HA THR 13 HA THR 13 5.348 7.362 2.969 93 HB THR 13 HB THR 13 6.638 5.335 1.351 94 HG1 THR 13 1HG THR 13 4.660 4.212 0.973 95 1HG2 THR 13 1HG2 THR 13 6.638 5.070 3.689 96 2HG2 THR 13 2HG2 THR 13 5.462 3.902 3.085 97 3HG2 THR 13 3HG2 THR 13 4.914 5.416 3.802 98 H ALA 14 H ALA 14 7.497 6.620 0.236 99 HA ALA 14 HA ALA 14 9.281 8.752 1.103 100 1HB ALA 14 1HB ALA 14 9.888 6.944 2.601 101 2HB ALA 14 2HB ALA 14 11.191 7.263 1.457 102 3HB ALA 14 3HB ALA 14 10.139 5.867 1.228 103 H GLY 15 H GLY 15 9.309 5.783 -0.894 104 1HA GLY 15 2HA GLY 15 9.209 6.142 -3.350 105 2HA GLY 15 1HA GLY 15 10.338 7.465 -3.105 106 H GLU 16 H GLU 16 12.096 6.263 -1.315 107 HA GLU 16 HA GLU 16 13.843 4.914 -3.032 108 1HB GLU 16 2HB GLU 16 14.736 6.040 -1.132 109 2HB GLU 16 1HB GLU 16 13.708 5.137 -0.029 110 1HG GLU 16 2HG GLU 16 16.040 4.406 0.063 111 2HG GLU 16 1HG GLU 16 14.961 3.115 -0.464 112 H GLY 17 H GLY 17 11.403 3.773 -0.809 113 1HA GLY 17 2HA GLY 17 11.728 1.064 -1.909 114 2HA GLY 17 1HA GLY 17 11.632 1.291 -0.166 115 H ALA 18 H ALA 18 9.698 3.164 0.121 116 HA ALA 18 HA ALA 18 7.351 2.078 -1.247 117 1HB ALA 18 1HB ALA 18 7.580 2.659 1.700 118 2HB ALA 18 2HB ALA 18 7.467 1.056 0.967 119 3HB ALA 18 3HB ALA 18 6.102 2.172 0.871 120 H MET 19 H MET 19 5.604 3.604 -1.536 121 HA MET 19 HA MET 19 5.872 6.251 -0.489 122 1HB MET 19 2HB MET 19 7.438 5.820 -2.661 123 2HB MET 19 1HB MET 19 5.976 6.448 -3.411 124 1HG MET 19 2HG MET 19 6.856 7.941 -1.060 125 2HG MET 19 1HG MET 19 7.996 7.952 -2.399 126 1HE MET 19 1HE MET 19 5.880 9.473 -5.300 127 2HE MET 19 2HE MET 19 6.047 7.756 -4.932 128 3HE MET 19 3HE MET 19 7.445 8.825 -4.808 129 H GLU 20 H GLU 20 3.793 4.211 -0.737 130 HA GLU 20 HA GLU 20 1.723 6.045 -1.477 131 1HB GLU 20 2HB GLU 20 1.514 3.302 -2.626 132 2HB GLU 20 1HB GLU 20 0.568 4.701 -3.030 133 1HG GLU 20 2HG GLU 20 2.701 5.699 -3.961 134 2HG GLU 20 1HG GLU 20 3.401 4.085 -3.796 135 H TYR 21 H TYR 21 -0.549 4.330 -1.074 136 HA TYR 21 HA TYR 21 0.095 3.032 1.332 137 1HB TYR 21 2HB TYR 21 0.154 4.865 2.488 138 2HB TYR 21 1HB TYR 21 -0.838 5.741 1.370 139 HD1 TYR 21 1HD TYR 21 -2.221 6.877 2.765 140 HD2 TYR 21 2HD TYR 21 -1.880 2.649 3.280 141 HE1 TYR 21 1HE TYR 21 -4.070 6.933 4.343 142 HE2 TYR 21 2HE TYR 21 -3.735 2.715 4.892 143 HH TYR 21 HH TYR 21 -4.820 4.372 6.410 144 H LEU 22 H LEU 22 -2.780 4.293 -0.137 145 HA LEU 22 HA LEU 22 -4.174 2.293 1.360 146 1HB LEU 22 2HB LEU 22 -5.033 4.611 -0.186 147 2HB LEU 22 1HB LEU 22 -6.159 3.277 -0.148 148 HG LEU 22 HG LEU 22 -5.102 4.844 2.205 149 1HD1 LEU 22 1HD1 LEU 22 -6.952 5.916 1.102 150 2HD1 LEU 22 2HD1 LEU 22 -7.522 5.212 2.612 151 3HD1 LEU 22 3HD1 LEU 22 -7.863 4.410 1.080 152 1HD2 LEU 22 1HD2 LEU 22 -5.106 2.635 3.010 153 2HD2 LEU 22 2HD2 LEU 22 -6.577 2.228 2.129 154 3HD2 LEU 22 3HD2 LEU 22 -6.651 3.309 3.520 155 H ILE 23 H ILE 23 -5.521 0.861 0.776 156 HA ILE 23 HA ILE 23 -4.907 -1.286 -0.355 157 HB ILE 23 HB ILE 23 -6.965 -1.079 0.627 158 1HG1 ILE 23 2HG1 ILE 23 -8.461 -2.315 -0.780 159 2HG1 ILE 23 1HG1 ILE 23 -7.618 -1.812 -2.226 160 1HG2 ILE 23 1HG2 ILE 23 -7.371 1.222 0.006 161 2HG2 ILE 23 2HG2 ILE 23 -8.809 0.229 -0.140 162 3HG2 ILE 23 3HG2 ILE 23 -7.931 0.716 -1.578 163 1HD1 ILE 23 1HD1 ILE 23 -7.131 -4.115 -1.426 164 2HD1 ILE 23 2HD1 ILE 23 -6.347 -3.391 -0.025 165 3HD1 ILE 23 3HD1 ILE 23 -5.715 -3.095 -1.634 166 H GLU 24 H GLU 24 -7.097 -0.213 -2.835 167 HA GLU 24 HA GLU 24 -6.910 -0.624 -5.071 168 1HB GLU 24 2HB GLU 24 -4.915 1.420 -4.299 169 2HB GLU 24 1HB GLU 24 -4.773 0.760 -5.923 170 1HG GLU 24 2HG GLU 24 -7.337 1.857 -4.815 171 2HG GLU 24 1HG GLU 24 -6.169 2.838 -5.701 172 H TRP 25 H TRP 25 -5.528 -2.594 -3.352 173 HA TRP 25 HA TRP 25 -3.828 -3.697 -5.421 174 1HB TRP 25 2HB TRP 25 -2.340 -4.653 -3.504 175 2HB TRP 25 1HB TRP 25 -2.041 -3.061 -4.159 176 HD1 TRP 25 HD TRP 25 -4.119 -4.360 -1.017 177 HE1 TRP 25 1HE TRP 25 -3.397 -2.829 0.988 178 HE3 TRP 25 3HE TRP 25 -0.789 -1.203 -3.366 179 HZ2 TRP 25 2HZ TRP 25 -1.818 -0.715 1.458 180 HZ3 TRP 25 3HZ TRP 25 0.301 0.522 -1.975 181 HH2 TRP 25 HH TRP 25 -0.237 0.804 0.337 182 H LYS 26 H LYS 26 -6.539 -4.188 -4.486 183 HA LYS 26 HA LYS 26 -7.937 -5.904 -3.927 184 1HB LYS 26 2HB LYS 26 -5.837 -7.317 -5.566 185 2HB LYS 26 1HB LYS 26 -7.391 -8.021 -5.140 186 1HG LYS 26 2HG LYS 26 -6.965 -5.531 -6.780 187 2HG LYS 26 1HG LYS 26 -7.428 -7.120 -7.392 188 1HD LYS 26 2HD LYS 26 -9.500 -7.018 -6.102 189 2HD LYS 26 1HD LYS 26 -9.032 -5.442 -5.463 190 1HE LYS 26 2HE LYS 26 -9.052 -4.518 -7.726 191 2HE LYS 26 1HE LYS 26 -9.509 -6.095 -8.369 192 1HZ LYS 26 1HZ LYS 26 -11.415 -4.609 -8.116 193 2HZ LYS 26 2HZ LYS 26 -11.127 -4.502 -6.454 194 3HZ LYS 26 3HZ LYS 26 -11.568 -5.983 -7.141 195 H ASP 27 H ASP 27 -5.845 -5.390 -1.931 196 HA ASP 27 HA ASP 27 -5.143 -6.297 0.037 197 1HB ASP 27 2HB ASP 27 -7.448 -7.118 0.218 198 2HB ASP 27 1HB ASP 27 -7.026 -8.545 -0.720 199 H GLY 28 H GLY 28 -3.677 -6.752 -2.399 200 1HA GLY 28 2HA GLY 28 -2.753 -9.270 -2.928 201 2HA GLY 28 1HA GLY 28 -1.716 -7.848 -2.941 202 H HIS 29 H HIS 29 -1.149 -7.088 -0.604 203 HA HIS 29 HA HIS 29 -0.716 -9.436 1.091 204 1HB HIS 29 2HB HIS 29 1.566 -7.520 1.122 205 2HB HIS 29 1HB HIS 29 1.540 -9.278 1.208 206 HD1 HIS 29 1HD HIS 29 1.029 -6.624 -1.478 207 HD2 HIS 29 2HD HIS 29 2.454 -10.498 -1.010 208 HE1 HIS 29 1HE HIS 29 1.931 -7.283 -3.729 209 HE2 HIS 29 2HE HIS 29 2.863 -9.601 -3.400 210 H SER 30 H SER 30 -1.892 -8.991 2.790 211 HA SER 30 HA SER 30 -2.954 -7.771 4.463 212 1HB SER 30 2HB SER 30 -0.036 -7.070 4.756 213 2HB SER 30 1HB SER 30 -1.246 -7.003 6.056 214 HG SER 30 HG SER 30 -0.831 -9.035 6.369 215 HA PRO 31 HA PRO 31 -3.767 -3.531 2.644 216 1HB PRO 31 2HB PRO 31 -4.989 -3.209 5.287 217 2HB PRO 31 1HB PRO 31 -5.736 -3.102 3.692 218 1HG PRO 31 2HG PRO 31 -5.628 -5.377 5.529 219 2HG PRO 31 1HG PRO 31 -6.647 -5.143 4.100 220 1HD PRO 31 2HD PRO 31 -4.676 -6.982 4.149 221 2HD PRO 31 1HD PRO 31 -5.071 -6.077 2.663 222 H SER 32 H SER 32 -2.177 -2.025 2.747 223 HA SER 32 HA SER 32 -0.921 -1.460 5.335 224 1HB SER 32 2HB SER 32 0.322 -3.215 4.190 225 2HB SER 32 1HB SER 32 0.643 -2.105 2.855 226 HG SER 32 HG SER 32 2.384 -1.914 4.163 227 H TRP 33 H TRP 33 1.185 0.027 4.583 228 HA TRP 33 HA TRP 33 0.147 2.232 2.916 229 1HB TRP 33 2HB TRP 33 0.279 2.835 5.357 230 2HB TRP 33 1HB TRP 33 1.982 2.398 5.347 231 HD1 TRP 33 HD TRP 33 3.409 3.929 3.307 232 HE1 TRP 33 1HE TRP 33 3.269 6.477 2.985 233 HE3 TRP 33 3HE TRP 33 -0.992 4.842 5.772 234 HZ2 TRP 33 2HZ TRP 33 1.522 8.595 3.672 235 HZ3 TRP 33 3HZ TRP 33 -1.819 7.160 5.883 236 HH2 TRP 33 HH TRP 33 -0.586 8.993 4.836 237 H VAL 34 H VAL 34 1.149 1.513 1.088 238 HA VAL 34 HA VAL 34 3.970 1.875 0.837 239 HB VAL 34 HB VAL 34 3.018 -0.680 1.494 240 1HG1 VAL 34 1HG1 VAL 34 2.258 -1.400 -0.508 241 2HG1 VAL 34 2HG1 VAL 34 3.871 -2.049 -0.435 242 3HG1 VAL 34 3HG1 VAL 34 3.552 -0.670 -1.419 243 1HG2 VAL 34 1HG2 VAL 34 5.725 -0.093 0.400 244 2HG2 VAL 34 2HG2 VAL 34 5.259 -1.227 1.661 245 3HG2 VAL 34 3HG2 VAL 34 5.170 0.504 1.954 246 HA PRO 35 HA PRO 35 2.701 2.312 -3.486 247 1HB PRO 35 2HB PRO 35 4.896 1.958 -4.823 248 2HB PRO 35 1HB PRO 35 4.936 3.135 -3.501 249 1HG PRO 35 2HG PRO 35 5.816 0.284 -3.501 250 2HG PRO 35 1HG PRO 35 6.709 1.711 -2.947 251 1HD PRO 35 2HD PRO 35 5.251 0.063 -1.310 252 2HD PRO 35 1HD PRO 35 5.566 1.758 -0.933 253 H SER 36 H SER 36 1.656 1.163 -4.979 254 HA SER 36 HA SER 36 1.203 -0.450 -6.526 255 1HB SER 36 2HB SER 36 3.680 -0.793 -6.700 256 2HB SER 36 1HB SER 36 3.535 -2.045 -5.466 257 HG SER 36 HG SER 36 3.020 -3.332 -7.026 258 H SER 37 H SER 37 2.343 -2.208 -3.571 259 HA SER 37 HA SER 37 -0.373 -3.198 -3.273 260 1HB SER 37 2HB SER 37 0.562 -4.776 -4.847 261 2HB SER 37 1HB SER 37 1.930 -5.070 -3.774 262 HG SER 37 HG SER 37 0.052 -6.590 -3.727 263 H TYR 38 H TYR 38 2.924 -3.762 -2.020 264 HA TYR 38 HA TYR 38 2.417 -3.102 0.612 265 1HB TYR 38 2HB TYR 38 0.764 -4.865 0.641 266 2HB TYR 38 1HB TYR 38 1.981 -6.027 0.088 267 HD1 TYR 38 1HD TYR 38 0.413 -4.506 2.914 268 HD2 TYR 38 2HD TYR 38 3.933 -6.344 1.515 269 HE1 TYR 38 1HE TYR 38 1.138 -4.885 5.249 270 HE2 TYR 38 2HE TYR 38 4.697 -6.762 3.761 271 HH TYR 38 HH TYR 38 4.304 -5.836 6.055 272 H ILE 39 H ILE 39 4.207 -3.567 1.952 273 HA ILE 39 HA ILE 39 6.258 -5.340 1.448 274 HB ILE 39 HB ILE 39 6.789 -4.356 -0.603 275 1HG1 ILE 39 2HG1 ILE 39 8.990 -3.492 -0.366 276 2HG1 ILE 39 1HG1 ILE 39 8.661 -2.862 1.232 277 1HG2 ILE 39 1HG2 ILE 39 6.958 -1.588 0.406 278 2HG2 ILE 39 2HG2 ILE 39 5.382 -2.292 0.082 279 3HG2 ILE 39 3HG2 ILE 39 6.574 -2.188 -1.207 280 1HD1 ILE 39 1HD1 ILE 39 8.445 -5.162 2.069 281 2HD1 ILE 39 2HD1 ILE 39 10.032 -4.839 1.370 282 3HD1 ILE 39 3HD1 ILE 39 8.838 -5.761 0.457 283 H ALA 40 H ALA 40 5.452 -5.031 3.690 284 HA ALA 40 HA ALA 40 6.080 -2.758 5.187 285 1HB ALA 40 1HB ALA 40 4.585 -4.534 5.957 286 2HB ALA 40 2HB ALA 40 5.823 -4.136 7.148 287 3HB ALA 40 3HB ALA 40 5.975 -5.596 6.172 288 H ALA 41 H ALA 41 8.073 -1.967 4.758 289 HA ALA 41 HA ALA 41 10.224 -2.697 6.325 290 1HB ALA 41 1HB ALA 41 10.416 -3.843 3.543 291 2HB ALA 41 2HB ALA 41 10.458 -4.725 5.069 292 3HB ALA 41 3HB ALA 41 11.787 -3.654 4.635 293 H ASP 42 H ASP 42 9.108 -1.286 3.327 294 HA ASP 42 HA ASP 42 9.445 0.778 2.432 295 1HB ASP 42 2HB ASP 42 11.366 1.325 4.703 296 2HB ASP 42 1HB ASP 42 10.590 2.506 3.655 297 H VAL 43 H VAL 43 11.146 -1.652 2.018 298 HA VAL 43 HA VAL 43 13.567 -0.333 0.980 299 HB VAL 43 HB VAL 43 13.125 -3.277 1.496 300 1HG1 VAL 43 1HG1 VAL 43 15.603 -1.751 0.699 301 2HG1 VAL 43 2HG1 VAL 43 14.696 -2.875 -0.313 302 3HG1 VAL 43 3HG1 VAL 43 15.543 -3.464 1.117 303 1HG2 VAL 43 1HG2 VAL 43 14.643 -1.201 3.071 304 2HG2 VAL 43 2HG2 VAL 43 14.745 -2.939 3.347 305 3HG2 VAL 43 3HG2 VAL 43 13.215 -2.097 3.591 306 H VAL 44 H VAL 44 10.726 -2.126 0.124 307 HA VAL 44 HA VAL 44 11.466 -1.870 -2.707 308 HB VAL 44 HB VAL 44 10.004 -4.301 -1.716 309 1HG1 VAL 44 1HG1 VAL 44 11.020 -5.216 -3.864 310 2HG1 VAL 44 2HG1 VAL 44 11.393 -3.538 -4.262 311 3HG1 VAL 44 3HG1 VAL 44 9.718 -4.038 -4.022 312 1HG2 VAL 44 1HG2 VAL 44 12.139 -4.290 -0.563 313 2HG2 VAL 44 2HG2 VAL 44 12.982 -4.022 -2.088 314 3HG2 VAL 44 3HG2 VAL 44 12.122 -5.537 -1.810 315 H SER 45 H SER 45 9.560 -2.113 -4.152 316 HA SER 45 HA SER 45 7.270 -0.694 -3.006 317 1HB SER 45 2HB SER 45 8.243 0.333 -4.964 318 2HB SER 45 1HB SER 45 8.147 -1.180 -5.865 319 HG SER 45 HG SER 45 6.189 -0.666 -6.383 320 H GLU 46 H GLU 46 7.780 -3.638 -2.680 321 HA GLU 46 HA GLU 46 5.164 -4.580 -2.931 322 1HB GLU 46 2HB GLU 46 5.578 -4.557 -5.335 323 2HB GLU 46 1HB GLU 46 7.013 -5.546 -5.118 324 1HG GLU 46 2HG GLU 46 5.621 -7.375 -4.286 325 2HG GLU 46 1HG GLU 46 4.185 -6.380 -4.520 326 H TYR 47 H TYR 47 4.892 -6.655 -2.048 327 HA TYR 47 HA TYR 47 6.850 -7.437 -0.206 328 1HB TYR 47 2HB TYR 47 4.378 -7.862 0.005 329 2HB TYR 47 1HB TYR 47 4.560 -9.130 -1.206 330 HD1 TYR 47 1HD TYR 47 6.851 -8.299 1.601 331 HD2 TYR 47 2HD TYR 47 4.069 -11.083 -0.019 332 HE1 TYR 47 1HE TYR 47 7.434 -9.905 3.372 333 HE2 TYR 47 2HE TYR 47 4.644 -12.696 1.747 334 HH TYR 47 HH TYR 47 6.432 -11.849 4.501 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -5.111 -1.375 11.054 2 2H GLY 1 2HT GLY 1 -4.428 -2.888 11.374 3 3H GLY 1 3HT GLY 1 -6.078 -2.631 11.646 4 1HA GLY 1 1HA GLY 1 -4.722 -2.606 9.004 5 2HA GLY 1 2HA GLY 1 -5.746 -3.895 9.619 6 H SER 2 H SER 2 -5.654 -1.086 7.791 7 HA SER 2 HA SER 2 -8.577 -1.067 7.637 8 1HB SER 2 2HB SER 2 -8.000 0.766 9.158 9 2HB SER 2 1HB SER 2 -6.887 1.425 7.959 10 HG SER 2 HG SER 2 -8.600 2.511 7.377 11 H GLY 3 H GLY 3 -8.913 -1.688 5.601 12 1HA GLY 3 2HA GLY 3 -8.804 -0.302 3.369 13 2HA GLY 3 1HA GLY 3 -7.114 -0.765 3.486 14 H GLU 4 H GLU 4 -7.118 -2.025 1.613 15 HA GLU 4 HA GLU 4 -7.178 -4.043 0.553 16 1HB GLU 4 2HB GLU 4 -7.149 -5.762 1.975 17 2HB GLU 4 1HB GLU 4 -7.753 -4.697 3.219 18 1HG GLU 4 2HG GLU 4 -10.009 -5.336 2.802 19 2HG GLU 4 1HG GLU 4 -9.543 -6.247 1.368 20 H VAL 5 H VAL 5 -10.006 -2.279 1.291 21 HA VAL 5 HA VAL 5 -11.873 -3.907 -0.177 22 HB VAL 5 HB VAL 5 -12.185 -0.981 0.459 23 1HG1 VAL 5 1HG1 VAL 5 -14.164 -3.226 0.076 24 2HG1 VAL 5 2HG1 VAL 5 -13.855 -1.888 -1.031 25 3HG1 VAL 5 3HG1 VAL 5 -14.581 -1.578 0.546 26 1HG2 VAL 5 1HG2 VAL 5 -12.757 -3.332 2.268 27 2HG2 VAL 5 2HG2 VAL 5 -13.233 -1.664 2.582 28 3HG2 VAL 5 3HG2 VAL 5 -11.523 -2.095 2.516 29 H ASN 6 H ASN 6 -10.331 -0.805 -0.696 30 HA ASN 6 HA ASN 6 -9.314 -0.019 -2.630 31 1HB ASN 6 2HB ASN 6 -11.196 -1.679 -4.305 32 2HB ASN 6 1HB ASN 6 -9.794 -0.756 -4.817 33 1HD2 ASN 6 1HD2 ASN 6 -8.781 -2.396 -5.808 34 2HD2 ASN 6 2HD2 ASN 6 -8.082 -3.732 -4.969 35 H LYS 7 H LYS 7 -10.196 1.773 -1.753 36 HA LYS 7 HA LYS 7 -12.319 2.982 -3.311 37 1HB LYS 7 2HB LYS 7 -13.553 3.649 -1.250 38 2HB LYS 7 1HB LYS 7 -13.543 1.909 -1.501 39 1HG LYS 7 2HG LYS 7 -11.385 2.077 0.050 40 2HG LYS 7 1HG LYS 7 -12.230 3.526 0.605 41 1HD LYS 7 2HD LYS 7 -14.182 2.244 1.179 42 2HD LYS 7 1HD LYS 7 -13.486 0.788 0.465 43 1HE LYS 7 2HE LYS 7 -13.300 0.744 2.895 44 2HE LYS 7 1HE LYS 7 -11.707 0.814 2.140 45 1HZ LYS 7 1HZ LYS 7 -13.168 3.124 3.305 46 2HZ LYS 7 2HZ LYS 7 -11.635 3.185 2.592 47 3HZ LYS 7 3HZ LYS 7 -11.867 2.316 4.025 48 H ILE 8 H ILE 8 -12.235 4.934 -0.734 49 HA ILE 8 HA ILE 8 -10.667 6.935 -1.719 50 HB ILE 8 HB ILE 8 -12.191 7.069 0.257 51 1HG1 ILE 8 2HG1 ILE 8 -10.527 8.864 -0.305 52 2HG1 ILE 8 1HG1 ILE 8 -10.990 8.812 1.391 53 1HG2 ILE 8 1HG2 ILE 8 -9.898 6.071 1.916 54 2HG2 ILE 8 2HG2 ILE 8 -11.158 4.994 1.314 55 3HG2 ILE 8 3HG2 ILE 8 -11.577 6.327 2.394 56 1HD1 ILE 8 1HD1 ILE 8 -8.697 9.152 1.431 57 2HD1 ILE 8 2HD1 ILE 8 -8.404 8.008 0.124 58 3HD1 ILE 8 3HD1 ILE 8 -8.863 7.421 1.721 59 H ILE 9 H ILE 9 -8.532 6.842 -2.312 60 HA ILE 9 HA ILE 9 -6.767 5.377 -0.511 61 HB ILE 9 HB ILE 9 -5.320 4.985 -2.598 62 1HG1 ILE 9 2HG1 ILE 9 -8.025 5.507 -3.845 63 2HG1 ILE 9 1HG1 ILE 9 -6.527 6.378 -4.168 64 1HG2 ILE 9 1HG2 ILE 9 -6.212 2.861 -2.836 65 2HG2 ILE 9 2HG2 ILE 9 -7.861 3.410 -2.523 66 3HG2 ILE 9 3HG2 ILE 9 -6.687 3.347 -1.213 67 1HD1 ILE 9 1HD1 ILE 9 -5.562 4.414 -5.179 68 2HD1 ILE 9 2HD1 ILE 9 -7.112 4.780 -5.941 69 3HD1 ILE 9 3HD1 ILE 9 -6.991 3.467 -4.767 70 H GLY 10 H GLY 10 -5.455 6.635 0.503 71 1HA GLY 10 2HA GLY 10 -4.256 8.965 -0.807 72 2HA GLY 10 1HA GLY 10 -4.242 8.627 0.931 73 H SER 11 H SER 11 -1.895 9.070 -0.902 74 HA SER 11 HA SER 11 -0.449 6.709 -0.200 75 1HB SER 11 2HB SER 11 0.205 6.235 -2.614 76 2HB SER 11 1HB SER 11 -1.429 5.793 -2.145 77 HG SER 11 HG SER 11 -0.578 8.046 -3.631 78 H ARG 12 H ARG 12 1.185 7.752 0.764 79 HA ARG 12 HA ARG 12 3.148 8.990 -0.931 80 1HB ARG 12 2HB ARG 12 1.680 10.621 1.137 81 2HB ARG 12 1HB ARG 12 3.312 11.031 0.628 82 1HG ARG 12 2HG ARG 12 2.302 12.295 -0.903 83 2HG ARG 12 1HG ARG 12 2.032 10.781 -1.765 84 1HD ARG 12 2HD ARG 12 -0.037 12.028 -1.619 85 2HD ARG 12 1HD ARG 12 -0.152 10.565 -0.643 86 HE ARG 12 HE ARG 12 0.647 12.407 1.151 87 1HH1 ARG 12 1HH1 ARG 12 -1.930 12.355 -1.193 88 2HH1 ARG 12 2HH1 ARG 12 -2.972 13.377 -0.260 89 1HH2 ARG 12 1HH2 ARG 12 -0.718 13.752 2.386 90 2HH2 ARG 12 2HH2 ARG 12 -2.283 14.172 1.774 91 H THR 13 H THR 13 4.633 7.383 -0.197 92 HA THR 13 HA THR 13 5.009 7.330 2.681 93 HB THR 13 HB THR 13 6.550 5.399 1.111 94 HG1 THR 13 1HG THR 13 4.713 4.057 0.883 95 1HG2 THR 13 1HG2 THR 13 5.586 3.943 2.994 96 2HG2 THR 13 2HG2 THR 13 5.082 5.477 3.707 97 3HG2 THR 13 3HG2 THR 13 6.790 5.164 3.403 98 H ALA 14 H ALA 14 7.472 6.689 0.215 99 HA ALA 14 HA ALA 14 8.998 8.965 1.291 100 1HB ALA 14 1HB ALA 14 9.615 7.028 2.660 101 2HB ALA 14 2HB ALA 14 10.974 7.645 1.721 102 3HB ALA 14 3HB ALA 14 10.137 6.180 1.204 103 H GLY 15 H GLY 15 9.630 6.169 -0.819 104 1HA GLY 15 2HA GLY 15 9.614 6.689 -3.277 105 2HA GLY 15 1HA GLY 15 10.604 8.081 -2.855 106 H GLU 16 H GLU 16 12.139 6.740 -0.853 107 HA GLU 16 HA GLU 16 14.201 5.657 -2.459 108 1HB GLU 16 2HB GLU 16 15.424 5.418 -0.444 109 2HB GLU 16 1HB GLU 16 14.415 6.841 -0.211 110 1HG GLU 16 2HG GLU 16 12.859 5.572 1.124 111 2HG GLU 16 1HG GLU 16 13.767 4.091 0.826 112 H GLY 17 H GLY 17 11.553 4.318 -0.653 113 1HA GLY 17 2HA GLY 17 12.094 1.696 -1.828 114 2HA GLY 17 1HA GLY 17 11.934 1.791 -0.079 115 H ALA 18 H ALA 18 9.902 3.533 0.283 116 HA ALA 18 HA ALA 18 7.643 2.299 -1.124 117 1HB ALA 18 1HB ALA 18 7.818 3.203 1.748 118 2HB ALA 18 2HB ALA 18 7.609 1.551 1.162 119 3HB ALA 18 3HB ALA 18 6.307 2.729 0.959 120 H MET 19 H MET 19 5.797 3.673 -1.603 121 HA MET 19 HA MET 19 6.021 6.472 -0.956 122 1HB MET 19 2HB MET 19 7.393 5.650 -3.198 123 2HB MET 19 1HB MET 19 5.881 6.250 -3.868 124 1HG MET 19 2HG MET 19 6.249 8.345 -2.534 125 2HG MET 19 1HG MET 19 7.860 7.729 -2.173 126 1HE MET 19 1HE MET 19 8.436 10.606 -4.825 127 2HE MET 19 2HE MET 19 8.748 10.074 -3.173 128 3HE MET 19 3HE MET 19 7.122 10.563 -3.649 129 H GLU 20 H GLU 20 3.893 4.329 -0.832 130 HA GLU 20 HA GLU 20 1.775 6.053 -1.692 131 1HB GLU 20 2HB GLU 20 1.997 3.298 -2.858 132 2HB GLU 20 1HB GLU 20 0.517 4.231 -2.894 133 1HG GLU 20 2HG GLU 20 2.181 5.993 -3.998 134 2HG GLU 20 1HG GLU 20 3.033 4.504 -4.429 135 H TYR 21 H TYR 21 -0.507 4.477 -1.122 136 HA TYR 21 HA TYR 21 0.118 3.201 1.339 137 1HB TYR 21 2HB TYR 21 0.260 5.142 2.348 138 2HB TYR 21 1HB TYR 21 -0.878 5.912 1.292 139 HD1 TYR 21 1HD TYR 21 -2.007 7.073 2.896 140 HD2 TYR 21 2HD TYR 21 -1.738 2.816 3.252 141 HE1 TYR 21 1HE TYR 21 -3.692 7.136 4.640 142 HE2 TYR 21 2HE TYR 21 -3.433 2.888 5.039 143 HH TYR 21 HH TYR 21 -5.333 5.633 5.691 144 H LEU 22 H LEU 22 -2.827 4.680 0.304 145 HA LEU 22 HA LEU 22 -4.189 2.442 1.487 146 1HB LEU 22 2HB LEU 22 -5.099 4.981 0.288 147 2HB LEU 22 1HB LEU 22 -6.252 3.717 0.630 148 HG LEU 22 HG LEU 22 -4.449 5.016 2.656 149 1HD1 LEU 22 1HD1 LEU 22 -5.989 6.664 2.357 150 2HD1 LEU 22 2HD1 LEU 22 -6.873 5.657 3.502 151 3HD1 LEU 22 3HD1 LEU 22 -7.227 5.551 1.778 152 1HD2 LEU 22 1HD2 LEU 22 -6.606 2.936 2.931 153 2HD2 LEU 22 2HD2 LEU 22 -5.877 3.800 4.284 154 3HD2 LEU 22 3HD2 LEU 22 -4.887 2.743 3.277 155 H ILE 23 H ILE 23 -5.485 1.089 0.720 156 HA ILE 23 HA ILE 23 -5.515 -0.744 -0.725 157 HB ILE 23 HB ILE 23 -7.610 0.648 -2.175 158 1HG1 ILE 23 2HG1 ILE 23 -7.429 2.041 -0.052 159 2HG1 ILE 23 1HG1 ILE 23 -8.985 1.271 -0.325 160 1HG2 ILE 23 1HG2 ILE 23 -8.615 -1.230 -0.369 161 2HG2 ILE 23 2HG2 ILE 23 -7.041 -1.848 -0.837 162 3HG2 ILE 23 3HG2 ILE 23 -8.238 -1.491 -2.063 163 1HD1 ILE 23 1HD1 ILE 23 -6.905 -0.015 1.394 164 2HD1 ILE 23 2HD1 ILE 23 -8.649 -0.272 1.374 165 3HD1 ILE 23 3HD1 ILE 23 -7.985 1.226 2.026 166 H GLU 24 H GLU 24 -6.801 -0.419 -3.423 167 HA GLU 24 HA GLU 24 -6.211 -0.085 -5.592 168 1HB GLU 24 2HB GLU 24 -4.554 1.785 -4.343 169 2HB GLU 24 1HB GLU 24 -3.455 0.787 -5.290 170 1HG GLU 24 2HG GLU 24 -5.893 2.204 -6.339 171 2HG GLU 24 1HG GLU 24 -4.224 2.733 -6.539 172 H TRP 25 H TRP 25 -4.768 -1.996 -3.248 173 HA TRP 25 HA TRP 25 -3.534 -3.635 -5.342 174 1HB TRP 25 2HB TRP 25 -2.136 -4.602 -3.408 175 2HB TRP 25 1HB TRP 25 -1.686 -3.044 -4.073 176 HD1 TRP 25 HD TRP 25 -3.816 -4.261 -0.990 177 HE1 TRP 25 1HE TRP 25 -3.163 -2.699 1.009 178 HE3 TRP 25 3HE TRP 25 -0.584 -1.094 -3.339 179 HZ2 TRP 25 2HZ TRP 25 -1.622 -0.530 1.451 180 HZ3 TRP 25 3HZ TRP 25 0.487 0.679 -2.000 181 HH2 TRP 25 HH TRP 25 -0.021 0.992 0.318 182 H LYS 26 H LYS 26 -6.268 -3.586 -4.294 183 HA LYS 26 HA LYS 26 -7.871 -4.953 -3.359 184 1HB LYS 26 2HB LYS 26 -7.601 -5.560 -5.738 185 2HB LYS 26 1HB LYS 26 -6.481 -6.830 -5.267 186 1HG LYS 26 2HG LYS 26 -8.275 -7.911 -3.980 187 2HG LYS 26 1HG LYS 26 -9.392 -6.655 -4.517 188 1HD LYS 26 2HD LYS 26 -8.982 -7.316 -6.852 189 2HD LYS 26 1HD LYS 26 -7.908 -8.597 -6.287 190 1HE LYS 26 2HE LYS 26 -9.783 -9.605 -5.059 191 2HE LYS 26 1HE LYS 26 -10.850 -8.339 -5.666 192 1HZ LYS 26 1HZ LYS 26 -10.404 -9.106 -7.920 193 2HZ LYS 26 2HZ LYS 26 -11.055 -10.350 -6.975 194 3HZ LYS 26 3HZ LYS 26 -9.401 -10.332 -7.325 195 H ASP 27 H ASP 27 -6.418 -4.959 -1.268 196 HA ASP 27 HA ASP 27 -5.547 -6.107 0.506 197 1HB ASP 27 2HB ASP 27 -6.861 -7.999 1.216 198 2HB ASP 27 1HB ASP 27 -7.935 -6.813 0.485 199 H GLY 28 H GLY 28 -4.183 -6.530 -2.091 200 1HA GLY 28 2HA GLY 28 -3.381 -9.119 -2.595 201 2HA GLY 28 1HA GLY 28 -2.331 -7.718 -2.780 202 H HIS 29 H HIS 29 -1.500 -6.847 -0.594 203 HA HIS 29 HA HIS 29 -1.003 -9.065 1.239 204 1HB HIS 29 2HB HIS 29 1.362 -7.259 0.887 205 2HB HIS 29 1HB HIS 29 1.266 -8.992 1.173 206 HD1 HIS 29 1HD HIS 29 0.223 -6.821 -1.788 207 HD2 HIS 29 2HD HIS 29 2.344 -10.283 -0.904 208 HE1 HIS 29 1HE HIS 29 0.989 -7.728 -4.006 209 HE2 HIS 29 2HE HIS 29 2.195 -9.868 -3.451 210 H SER 30 H SER 30 -2.232 -8.366 2.831 211 HA SER 30 HA SER 30 -3.083 -7.023 4.498 212 1HB SER 30 2HB SER 30 -0.122 -6.568 4.649 213 2HB SER 30 1HB SER 30 -1.256 -6.218 5.963 214 HG SER 30 HG SER 30 -0.672 -8.744 4.809 215 HA PRO 31 HA PRO 31 -3.839 -2.785 2.751 216 1HB PRO 31 2HB PRO 31 -4.887 -2.324 5.421 217 2HB PRO 31 1HB PRO 31 -5.766 -2.377 3.891 218 1HG PRO 31 2HG PRO 31 -5.344 -4.512 5.892 219 2HG PRO 31 1HG PRO 31 -6.631 -4.339 4.691 220 1HD PRO 31 2HD PRO 31 -4.773 -6.208 4.373 221 2HD PRO 31 1HD PRO 31 -5.307 -5.256 2.967 222 H SER 32 H SER 32 -1.853 -1.905 2.675 223 HA SER 32 HA SER 32 -0.462 -1.276 5.187 224 1HB SER 32 2HB SER 32 0.641 -3.049 4.155 225 2HB SER 32 1HB SER 32 0.577 -2.263 2.579 226 HG SER 32 HG SER 32 2.355 -1.945 4.657 227 H TRP 33 H TRP 33 1.445 0.256 4.688 228 HA TRP 33 HA TRP 33 0.508 2.428 2.938 229 1HB TRP 33 2HB TRP 33 0.901 2.986 5.426 230 2HB TRP 33 1HB TRP 33 2.610 2.653 5.133 231 HD1 TRP 33 HD TRP 33 3.544 4.105 2.844 232 HE1 TRP 33 1HE TRP 33 3.212 6.594 2.390 233 HE3 TRP 33 3HE TRP 33 -0.421 5.008 5.956 234 HZ2 TRP 33 2HZ TRP 33 1.510 8.684 3.199 235 HZ3 TRP 33 3HZ TRP 33 -1.342 7.294 6.039 236 HH2 TRP 33 HH TRP 33 -0.397 9.090 4.666 237 H VAL 34 H VAL 34 1.363 1.947 1.044 238 HA VAL 34 HA VAL 34 4.171 1.454 0.782 239 HB VAL 34 HB VAL 34 3.918 -0.784 1.030 240 1HG1 VAL 34 1HG1 VAL 34 2.098 -1.701 1.725 241 2HG1 VAL 34 2HG1 VAL 34 1.258 -1.434 0.206 242 3HG1 VAL 34 3HG1 VAL 34 1.258 -0.187 1.440 243 1HG2 VAL 34 1HG2 VAL 34 3.902 -1.927 -0.927 244 2HG2 VAL 34 2HG2 VAL 34 3.807 -0.355 -1.663 245 3HG2 VAL 34 3HG2 VAL 34 2.352 -1.279 -1.410 246 HA PRO 35 HA PRO 35 4.090 3.490 -3.070 247 1HB PRO 35 2HB PRO 35 5.723 1.847 -4.556 248 2HB PRO 35 1HB PRO 35 6.281 3.032 -3.371 249 1HG PRO 35 2HG PRO 35 5.840 0.086 -3.054 250 2HG PRO 35 1HG PRO 35 7.197 1.082 -2.494 251 1HD PRO 35 2HD PRO 35 5.301 0.347 -0.801 252 2HD PRO 35 1HD PRO 35 5.932 1.972 -0.744 253 H SER 36 H SER 36 2.760 0.267 -3.159 254 HA SER 36 HA SER 36 1.067 0.878 -5.275 255 1HB SER 36 2HB SER 36 2.104 -0.551 -7.102 256 2HB SER 36 1HB SER 36 2.892 0.993 -6.789 257 HG SER 36 HG SER 36 4.286 -0.928 -6.970 258 H SER 37 H SER 37 2.633 -1.611 -3.403 259 HA SER 37 HA SER 37 0.196 -3.198 -3.698 260 1HB SER 37 2HB SER 37 1.788 -4.200 -5.258 261 2HB SER 37 1HB SER 37 2.988 -4.330 -3.975 262 HG SER 37 HG SER 37 1.384 -5.673 -2.873 263 H TYR 38 H TYR 38 3.322 -3.724 -2.157 264 HA TYR 38 HA TYR 38 2.679 -3.002 0.417 265 1HB TYR 38 2HB TYR 38 0.986 -4.687 0.440 266 2HB TYR 38 1HB TYR 38 2.154 -5.894 -0.111 267 HD1 TYR 38 1HD TYR 38 0.638 -4.339 2.705 268 HD2 TYR 38 2HD TYR 38 4.115 -6.338 1.390 269 HE1 TYR 38 1HE TYR 38 1.233 -4.787 5.028 270 HE2 TYR 38 2HE TYR 38 4.757 -6.815 3.669 271 HH TYR 38 HH TYR 38 4.329 -5.916 5.939 272 H ILE 39 H ILE 39 4.540 -2.927 1.552 273 HA ILE 39 HA ILE 39 6.568 -4.892 0.898 274 HB ILE 39 HB ILE 39 8.130 -3.560 -0.031 275 1HG1 ILE 39 2HG1 ILE 39 8.496 -1.909 1.707 276 2HG1 ILE 39 1HG1 ILE 39 8.238 -1.048 0.201 277 1HG2 ILE 39 1HG2 ILE 39 5.719 -1.920 -0.709 278 2HG2 ILE 39 2HG2 ILE 39 6.089 -3.490 -1.418 279 3HG2 ILE 39 3HG2 ILE 39 7.171 -2.121 -1.685 280 1HD1 ILE 39 1HD1 ILE 39 6.155 -0.286 0.832 281 2HD1 ILE 39 2HD1 ILE 39 7.080 -0.203 2.332 282 3HD1 ILE 39 3HD1 ILE 39 5.954 -1.532 2.062 283 H ALA 40 H ALA 40 4.912 -4.213 3.204 284 HA ALA 40 HA ALA 40 6.526 -2.820 5.085 285 1HB ALA 40 1HB ALA 40 3.977 -3.778 5.033 286 2HB ALA 40 2HB ALA 40 4.788 -3.090 6.442 287 3HB ALA 40 3HB ALA 40 4.759 -4.838 6.208 288 H ALA 41 H ALA 41 8.561 -3.598 4.892 289 HA ALA 41 HA ALA 41 9.751 -5.198 6.624 290 1HB ALA 41 1HB ALA 41 8.729 -6.978 4.418 291 2HB ALA 41 2HB ALA 41 8.499 -7.157 6.158 292 3HB ALA 41 3HB ALA 41 10.092 -7.418 5.449 293 H ASP 42 H ASP 42 10.315 -3.047 4.852 294 HA ASP 42 HA ASP 42 11.996 -2.159 3.625 295 1HB ASP 42 2HB ASP 42 13.410 -3.170 5.339 296 2HB ASP 42 1HB ASP 42 13.432 -4.690 4.449 297 H VAL 43 H VAL 43 10.886 -2.263 1.630 298 HA VAL 43 HA VAL 43 12.267 -3.785 -0.367 299 HB VAL 43 HB VAL 43 9.554 -4.416 -0.978 300 1HG1 VAL 43 1HG1 VAL 43 11.940 -6.131 -0.317 301 2HG1 VAL 43 2HG1 VAL 43 11.472 -5.536 -1.910 302 3HG1 VAL 43 3HG1 VAL 43 10.454 -6.708 -1.072 303 1HG2 VAL 43 1HG2 VAL 43 9.153 -4.374 1.455 304 2HG2 VAL 43 2HG2 VAL 43 10.438 -5.559 1.673 305 3HG2 VAL 43 3HG2 VAL 43 8.982 -5.990 0.775 306 H VAL 44 H VAL 44 10.530 -3.530 -2.520 307 HA VAL 44 HA VAL 44 9.661 -0.741 -2.487 308 HB VAL 44 HB VAL 44 10.938 -0.083 -4.402 309 1HG1 VAL 44 1HG1 VAL 44 11.949 -0.209 -2.002 310 2HG1 VAL 44 2HG1 VAL 44 12.979 0.204 -3.372 311 3HG1 VAL 44 3HG1 VAL 44 12.999 -1.433 -2.716 312 1HG2 VAL 44 1HG2 VAL 44 12.669 -1.595 -5.367 313 2HG2 VAL 44 2HG2 VAL 44 11.014 -2.129 -5.660 314 3HG2 VAL 44 3HG2 VAL 44 11.987 -2.913 -4.416 315 H SER 45 H SER 45 7.797 -0.519 -3.425 316 HA SER 45 HA SER 45 5.936 -0.849 -4.685 317 1HB SER 45 2HB SER 45 7.520 -0.126 -6.428 318 2HB SER 45 1HB SER 45 7.944 -1.811 -6.728 319 HG SER 45 HG SER 45 6.383 -1.223 -8.202 320 H GLU 46 H GLU 46 7.187 -3.309 -3.202 321 HA GLU 46 HA GLU 46 5.125 -5.107 -3.759 322 1HB GLU 46 2HB GLU 46 6.721 -5.164 -5.862 323 2HB GLU 46 1HB GLU 46 7.645 -6.263 -4.848 324 1HG GLU 46 2HG GLU 46 5.731 -7.725 -4.626 325 2HG GLU 46 1HG GLU 46 4.741 -6.606 -5.562 326 H TYR 47 H TYR 47 5.107 -6.898 -2.391 327 HA TYR 47 HA TYR 47 6.795 -6.715 -0.103 328 1HB TYR 47 2HB TYR 47 4.354 -7.305 -0.045 329 2HB TYR 47 1HB TYR 47 4.767 -8.848 -0.794 330 HD1 TYR 47 1HD TYR 47 6.498 -6.973 1.927 331 HD2 TYR 47 2HD TYR 47 4.358 -10.476 0.810 332 HE1 TYR 47 1HE TYR 47 6.927 -7.937 4.148 333 HE2 TYR 47 2HE TYR 47 4.782 -11.449 3.028 334 HH TYR 47 HH TYR 47 6.380 -11.214 4.868
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