NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569552 | 2m1i | 18864 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -13.211 12.432 -3.146 2 HA2 GLY 1 2HA GLY 1 -15.783 12.043 -2.788 3 HA3 GLY 1 1HA GLY 1 -15.181 11.561 -1.209 4 HA PRO 2 HA PRO 2 -15.576 16.352 -1.811 5 HB2 PRO 2 2HB PRO 2 -17.747 16.017 0.190 6 HB3 PRO 2 1HB PRO 2 -17.654 17.060 -1.234 7 HG2 PRO 2 2HG PRO 2 -19.179 14.894 -1.272 8 HG3 PRO 2 1HG PRO 2 -18.285 15.417 -2.712 9 HD2 PRO 2 2HD PRO 2 -17.701 13.127 -0.888 10 HD3 PRO 2 1HD PRO 2 -17.401 13.306 -2.630 11 H MET 3 H MET 3 -14.559 17.699 -0.360 12 HA MET 3 HA MET 3 -12.742 16.848 1.389 13 HB2 MET 3 2HB MET 3 -14.334 19.408 1.694 14 HB3 MET 3 1HB MET 3 -12.824 19.062 2.531 15 HG2 MET 3 2HG MET 3 -11.662 18.836 0.333 16 HG3 MET 3 1HG MET 3 -13.181 19.159 -0.474 17 HE1 MET 3 3HE MET 3 -10.159 21.453 1.564 18 HE2 MET 3 1HE MET 3 -11.001 20.089 2.309 19 HE3 MET 3 2HE MET 3 -11.440 21.733 2.721 20 H GLY 4 H GLY 4 -12.999 15.374 2.967 21 HA2 GLY 4 2HA GLY 4 -13.466 14.553 5.017 22 HA3 GLY 4 1HA GLY 4 -14.227 16.087 5.417 23 H SER 5 H SER 5 -15.383 14.332 2.654 24 HA SER 5 HA SER 5 -17.989 14.064 3.823 25 HB2 SER 5 2HB SER 5 -18.458 12.804 1.639 26 HB3 SER 5 1HB SER 5 -17.971 14.478 1.501 27 HG SER 5 HG SER 5 -15.936 13.819 0.902 28 H MET 6 H MET 6 -19.034 11.757 3.203 29 HA MET 6 HA MET 6 -18.121 9.958 5.180 30 HB2 MET 6 2HB MET 6 -19.982 9.519 2.831 31 HB3 MET 6 1HB MET 6 -19.730 8.352 4.130 32 HG2 MET 6 2HG MET 6 -20.698 11.202 4.527 33 HG3 MET 6 1HG MET 6 -21.747 9.796 4.503 34 HE1 MET 6 3HE MET 6 -21.248 7.902 7.561 35 HE2 MET 6 1HE MET 6 -20.179 7.482 6.211 36 HE3 MET 6 2HE MET 6 -21.825 8.016 5.906 37 H ALA 7 H ALA 7 -17.636 10.093 1.689 38 HA ALA 7 HA ALA 7 -15.681 7.879 1.915 39 HB1 ALA 7 1HB ALA 7 -16.103 7.526 -0.532 40 HB2 ALA 7 2HB ALA 7 -17.446 8.644 -0.418 41 HB3 ALA 7 3HB ALA 7 -17.467 7.134 0.500 42 H ASP 8 H ASP 8 -14.848 10.464 2.534 43 HA ASP 8 HA ASP 8 -13.586 11.636 0.196 44 HB2 ASP 8 2HB ASP 8 -12.785 13.323 1.656 45 HB3 ASP 8 1HB ASP 8 -14.421 12.938 2.186 46 H LYS 9 H LYS 9 -13.000 9.010 1.984 47 HA LYS 9 HA LYS 9 -10.095 9.287 2.078 48 HB2 LYS 9 2HB LYS 9 -11.926 7.272 3.372 49 HB3 LYS 9 1HB LYS 9 -10.184 7.452 3.658 50 HG2 LYS 9 2HG LYS 9 -10.536 9.777 4.436 51 HG3 LYS 9 1HG LYS 9 -12.250 9.566 4.088 52 HD2 LYS 9 2HD LYS 9 -12.169 7.580 5.764 53 HD3 LYS 9 1HD LYS 9 -10.621 8.307 6.233 54 HE2 LYS 9 2HE LYS 9 -12.441 9.148 7.652 55 HE3 LYS 9 1HE LYS 9 -11.696 10.425 6.704 56 HZ1 LYS 9 3HZ LYS 9 -14.115 9.004 5.729 57 HZ2 LYS 9 1HZ LYS 9 -13.523 10.503 5.196 58 HZ3 LYS 9 2HZ LYS 9 -14.199 10.382 6.720 59 H ILE 10 H ILE 10 -8.852 7.304 1.647 60 HA ILE 10 HA ILE 10 -9.936 5.812 -0.679 61 HB ILE 10 HB ILE 10 -7.015 6.132 0.078 62 HG12 ILE 10 2HG1 ILE 10 -8.505 7.439 -2.226 63 HG13 ILE 10 1HG1 ILE 10 -8.122 8.295 -0.721 64 HG21 ILE 10 1HG2 ILE 10 -6.720 5.262 -2.263 65 HG22 ILE 10 2HG2 ILE 10 -8.440 4.950 -2.313 66 HG23 ILE 10 3HG2 ILE 10 -7.426 4.101 -1.150 67 HD11 ILE 10 3HD1 ILE 10 -5.741 7.005 -1.631 68 HD12 ILE 10 1HD1 ILE 10 -6.076 8.730 -1.530 69 HD13 ILE 10 2HD1 ILE 10 -6.447 7.839 -3.003 70 H LYS 11 H LYS 11 -10.183 3.657 -0.402 71 HA LYS 11 HA LYS 11 -9.408 2.455 2.150 72 HB2 LYS 11 2HB LYS 11 -11.063 1.355 -0.142 73 HB3 LYS 11 1HB LYS 11 -10.712 0.554 1.374 74 HG2 LYS 11 2HG LYS 11 -11.920 2.124 2.670 75 HG3 LYS 11 1HG LYS 11 -12.037 3.278 1.352 76 HD2 LYS 11 2HD LYS 11 -14.218 2.086 1.603 77 HD3 LYS 11 1HD LYS 11 -13.462 1.696 0.084 78 HE2 LYS 11 2HE LYS 11 -14.245 -0.358 1.018 79 HE3 LYS 11 1HE LYS 11 -12.497 -0.397 1.150 80 HZ1 LYS 11 3HZ LYS 11 -13.601 -1.118 3.125 81 HZ2 LYS 11 1HZ LYS 11 -14.348 0.388 3.379 82 HZ3 LYS 11 2HZ LYS 11 -12.649 0.235 3.444 83 H CYS 12 H CYS 12 -7.245 1.801 2.049 84 HA CYS 12 HA CYS 12 -6.561 0.007 -0.169 85 HB2 CYS 12 2HB CYS 12 -5.239 1.378 -1.268 86 HB3 CYS 12 1HB CYS 12 -5.760 2.700 -0.219 87 HG CYS 12 HG CYS 12 -3.024 1.974 -0.277 88 H SER 13 H SER 13 -4.390 -0.933 0.012 89 HA SER 13 HA SER 13 -3.510 -1.314 2.771 90 HB2 SER 13 2HB SER 13 -3.546 -3.558 0.742 91 HB3 SER 13 1HB SER 13 -3.278 -3.642 2.462 92 HG SER 13 HG SER 13 -5.372 -4.050 2.501 93 H HIS 14 H HIS 14 -1.240 -1.563 2.941 94 HA HIS 14 HA HIS 14 0.243 -1.567 0.472 95 HB2 HIS 14 2HB HIS 14 1.187 0.482 0.549 96 HB3 HIS 14 1HB HIS 14 -0.338 0.881 1.313 97 HD2 HIS 14 2HD HIS 14 0.358 -0.078 4.407 98 HE1 HIS 14 1HE HIS 14 3.706 2.458 4.086 99 HE2 HIS 14 2HE HIS 14 2.239 1.230 5.704 100 H ILE 15 H ILE 15 2.402 -2.006 0.655 101 HA ILE 15 HA ILE 15 3.277 -3.136 3.229 102 HB ILE 15 HB ILE 15 3.707 -4.177 0.407 103 HG12 ILE 15 2HG1 ILE 15 2.353 -5.547 2.744 104 HG13 ILE 15 1HG1 ILE 15 1.456 -4.573 1.589 105 HG21 ILE 15 1HG2 ILE 15 5.575 -5.119 1.212 106 HG22 ILE 15 2HG2 ILE 15 4.547 -6.121 2.238 107 HG23 ILE 15 3HG2 ILE 15 5.234 -4.621 2.866 108 HD11 ILE 15 3HD1 ILE 15 1.887 -6.003 -0.169 109 HD12 ILE 15 1HD1 ILE 15 1.611 -7.107 1.172 110 HD13 ILE 15 2HD1 ILE 15 3.271 -6.777 0.634 111 H LEU 16 H LEU 16 5.096 -2.151 3.945 112 HA LEU 16 HA LEU 16 6.543 -0.424 2.040 113 HB2 LEU 16 2HB LEU 16 5.373 0.469 4.164 114 HB3 LEU 16 1HB LEU 16 6.687 -0.277 5.050 115 HG LEU 16 HG LEU 16 7.288 1.570 2.734 116 HD11 LEU 16 1HD1 LEU 16 6.632 2.387 5.562 117 HD12 LEU 16 2HD1 LEU 16 5.816 2.870 4.075 118 HD13 LEU 16 3HD1 LEU 16 7.455 3.423 4.389 119 HD21 LEU 16 3HD2 LEU 16 9.076 0.122 4.015 120 HD22 LEU 16 1HD2 LEU 16 8.823 1.279 5.326 121 HD23 LEU 16 2HD2 LEU 16 9.395 1.824 3.758 122 H VAL 17 H VAL 17 8.606 -0.912 1.536 123 HA VAL 17 HA VAL 17 10.164 -2.526 3.417 124 HB VAL 17 HB VAL 17 11.051 -3.871 1.535 125 HG11 VAL 17 1HG1 VAL 17 9.230 -4.721 3.007 126 HG12 VAL 17 2HG1 VAL 17 9.096 -5.346 1.371 127 HG13 VAL 17 3HG1 VAL 17 8.026 -4.041 1.906 128 HG21 VAL 17 3HG2 VAL 17 9.477 -3.918 -0.505 129 HG22 VAL 17 1HG2 VAL 17 10.584 -2.552 -0.391 130 HG23 VAL 17 2HG2 VAL 17 8.880 -2.363 0.045 131 H LYS 18 H LYS 18 12.371 -2.345 3.185 132 HA LYS 18 HA LYS 18 13.257 0.262 2.490 133 HB2 LYS 18 2HB LYS 18 14.776 -2.188 3.376 134 HB3 LYS 18 1HB LYS 18 15.520 -0.610 3.095 135 HG2 LYS 18 2HG LYS 18 14.007 0.432 4.728 136 HG3 LYS 18 1HG LYS 18 13.242 -1.094 5.076 137 HD2 LYS 18 2HD LYS 18 16.217 -0.555 5.447 138 HD3 LYS 18 1HD LYS 18 15.044 -0.387 6.737 139 HE2 LYS 18 2HE LYS 18 15.987 -2.910 5.372 140 HE3 LYS 18 1HE LYS 18 15.883 -2.546 7.081 141 HZ1 LYS 18 3HZ LYS 18 14.127 -4.074 6.114 142 HZ2 LYS 18 1HZ LYS 18 13.409 -2.743 5.414 143 HZ3 LYS 18 2HZ LYS 18 13.584 -2.878 7.104 144 H LYS 19 H LYS 19 13.599 -2.889 0.891 145 HA LYS 19 HA LYS 19 15.116 -1.566 -1.264 146 HB2 LYS 19 2HB LYS 19 14.755 -4.463 -0.577 147 HB3 LYS 19 1HB LYS 19 15.523 -3.919 -2.063 148 HG2 LYS 19 2HG LYS 19 17.187 -2.659 -0.726 149 HG3 LYS 19 1HG LYS 19 16.440 -3.266 0.755 150 HD2 LYS 19 2HD LYS 19 16.950 -5.597 0.136 151 HD3 LYS 19 1HD LYS 19 17.550 -5.067 -1.420 152 HE2 LYS 19 2HE LYS 19 19.403 -5.546 0.127 153 HE3 LYS 19 1HE LYS 19 19.409 -3.871 -0.374 154 HZ1 LYS 19 3HZ LYS 19 19.668 -4.486 2.085 155 HZ2 LYS 19 1HZ LYS 19 17.995 -4.654 2.113 156 HZ3 LYS 19 2HZ LYS 19 18.728 -3.160 1.700 157 H GLN 20 H GLN 20 14.598 -1.766 -3.400 158 HA GLN 20 HA GLN 20 11.843 -1.810 -4.164 159 HB2 GLN 20 2HB GLN 20 14.373 -2.092 -5.825 160 HB3 GLN 20 1HB GLN 20 12.759 -1.932 -6.490 161 HG2 GLN 20 2HG GLN 20 12.455 0.212 -5.420 162 HG3 GLN 20 1HG GLN 20 14.042 0.104 -4.642 163 HE21 GLN 20 1HE2 GLN 20 14.322 2.255 -5.931 164 HE22 GLN 20 2HE2 GLN 20 14.886 2.106 -7.520 165 H GLY 21 H GLY 21 14.495 -4.135 -4.213 166 HA2 GLY 21 2HA GLY 21 13.197 -6.201 -5.593 167 HA3 GLY 21 1HA GLY 21 14.516 -6.456 -4.428 168 H GLU 22 H GLU 22 13.140 -5.297 -2.193 169 HA GLU 22 HA GLU 22 11.653 -7.536 -1.303 170 HB2 GLU 22 2HB GLU 22 11.946 -4.713 -0.188 171 HB3 GLU 22 1HB GLU 22 11.135 -6.047 0.613 172 HG2 GLU 22 2HG GLU 22 13.124 -7.372 0.702 173 HG3 GLU 22 1HG GLU 22 14.031 -6.258 -0.294 174 H ALA 23 H ALA 23 10.837 -4.319 -2.504 175 HA ALA 23 HA ALA 23 8.020 -4.541 -2.215 176 HB1 ALA 23 1HB ALA 23 9.671 -2.909 -4.169 177 HB2 ALA 23 2HB ALA 23 8.943 -2.354 -2.651 178 HB3 ALA 23 3HB ALA 23 7.923 -2.786 -4.009 179 H LEU 24 H LEU 24 10.224 -5.379 -4.817 180 HA LEU 24 HA LEU 24 8.259 -6.350 -6.634 181 HB2 LEU 24 2HB LEU 24 11.227 -6.733 -6.352 182 HB3 LEU 24 1HB LEU 24 10.333 -7.819 -7.393 183 HG LEU 24 HG LEU 24 11.322 -5.751 -8.505 184 HD11 LEU 24 1HD1 LEU 24 9.351 -7.192 -9.337 185 HD12 LEU 24 2HD1 LEU 24 9.611 -5.610 -10.055 186 HD13 LEU 24 3HD1 LEU 24 8.339 -5.819 -8.860 187 HD21 LEU 24 3HD2 LEU 24 10.845 -3.992 -6.952 188 HD22 LEU 24 1HD2 LEU 24 9.128 -4.409 -6.871 189 HD23 LEU 24 2HD2 LEU 24 9.801 -3.716 -8.335 190 H ALA 25 H ALA 25 10.092 -7.822 -4.018 191 HA ALA 25 HA ALA 25 9.385 -10.481 -4.431 192 HB1 ALA 25 1HB ALA 25 10.108 -10.929 -2.254 193 HB2 ALA 25 2HB ALA 25 9.552 -9.380 -1.636 194 HB3 ALA 25 3HB ALA 25 10.991 -9.459 -2.649 195 H VAL 26 H VAL 26 7.681 -8.028 -2.476 196 HA VAL 26 HA VAL 26 5.531 -9.810 -1.879 197 HB VAL 26 HB VAL 26 4.303 -7.849 -1.068 198 HG11 VAL 26 1HG1 VAL 26 7.264 -7.732 -0.405 199 HG12 VAL 26 2HG1 VAL 26 6.047 -8.777 0.363 200 HG13 VAL 26 3HG1 VAL 26 5.973 -7.036 0.579 201 HG21 VAL 26 3HG2 VAL 26 5.056 -6.277 -2.943 202 HG22 VAL 26 1HG2 VAL 26 6.613 -6.193 -2.118 203 HG23 VAL 26 2HG2 VAL 26 5.166 -5.601 -1.331 204 H GLN 27 H GLN 27 5.996 -7.399 -4.409 205 HA GLN 27 HA GLN 27 3.408 -7.536 -5.545 206 HB2 GLN 27 2HB GLN 27 6.097 -6.924 -6.796 207 HB3 GLN 27 1HB GLN 27 4.555 -6.694 -7.615 208 HG2 GLN 27 2HG GLN 27 3.818 -5.124 -5.961 209 HG3 GLN 27 1HG GLN 27 5.219 -5.416 -4.953 210 HE21 GLN 27 1HE2 GLN 27 4.325 -2.877 -6.294 211 HE22 GLN 27 2HE2 GLN 27 5.662 -2.394 -7.202 212 H GLU 28 H GLU 28 6.360 -9.332 -6.186 213 HA GLU 28 HA GLU 28 5.313 -10.978 -8.275 214 HB2 GLU 28 2HB GLU 28 7.654 -11.324 -6.393 215 HB3 GLU 28 1HB GLU 28 7.297 -12.401 -7.746 216 HG2 GLU 28 2HG GLU 28 7.495 -10.526 -9.307 217 HG3 GLU 28 1HG GLU 28 7.788 -9.414 -7.995 218 H ARG 29 H ARG 29 5.775 -11.414 -4.773 219 HA ARG 29 HA ARG 29 4.859 -14.076 -4.764 220 HB2 ARG 29 2HB ARG 29 6.270 -13.148 -2.919 221 HB3 ARG 29 1HB ARG 29 4.884 -12.190 -2.402 222 HG2 ARG 29 2HG ARG 29 3.545 -14.222 -2.059 223 HG3 ARG 29 1HG ARG 29 4.881 -15.199 -2.662 224 HD2 ARG 29 2HD ARG 29 6.287 -14.290 -0.737 225 HD3 ARG 29 1HD ARG 29 4.827 -13.544 -0.144 226 HE ARG 29 HE ARG 29 3.839 -15.677 0.185 227 HH11 ARG 29 1HH2 ARG 29 7.292 -15.744 -0.608 228 HH12 ARG 29 2HH2 ARG 29 7.479 -17.358 -0.145 229 HH21 ARG 29 1HH1 ARG 29 4.122 -17.861 0.721 230 HH22 ARG 29 2HH1 ARG 29 5.687 -18.576 0.646 231 H LEU 30 H LEU 30 3.146 -11.032 -4.251 232 HA LEU 30 HA LEU 30 0.762 -12.044 -3.240 233 HB2 LEU 30 2HB LEU 30 1.623 -9.537 -4.405 234 HB3 LEU 30 1HB LEU 30 0.030 -9.925 -5.015 235 HG LEU 30 HG LEU 30 -0.151 -8.613 -2.934 236 HD11 LEU 30 1HD1 LEU 30 -1.248 -10.695 -1.549 237 HD12 LEU 30 2HD1 LEU 30 -1.233 -11.362 -3.171 238 HD13 LEU 30 3HD1 LEU 30 -2.028 -9.822 -2.851 239 HD21 LEU 30 3HD2 LEU 30 2.101 -9.809 -2.105 240 HD22 LEU 30 1HD2 LEU 30 0.939 -10.875 -1.313 241 HD23 LEU 30 2HD2 LEU 30 0.939 -9.140 -0.974 242 H LYS 31 H LYS 31 2.120 -12.241 -6.350 243 HA LYS 31 HA LYS 31 -0.187 -12.692 -7.934 244 HB2 LYS 31 2HB LYS 31 2.539 -13.912 -8.328 245 HB3 LYS 31 1HB LYS 31 1.316 -13.649 -9.558 246 HG2 LYS 31 2HG LYS 31 2.840 -11.499 -8.042 247 HG3 LYS 31 1HG LYS 31 2.956 -11.893 -9.757 248 HD2 LYS 31 2HD LYS 31 0.384 -11.361 -9.796 249 HD3 LYS 31 1HD LYS 31 0.711 -10.514 -8.299 250 HE2 LYS 31 2HE LYS 31 1.913 -9.947 -11.013 251 HE3 LYS 31 1HE LYS 31 0.962 -8.860 -9.993 252 HZ1 LYS 31 3HZ LYS 31 3.797 -9.547 -9.835 253 HZ2 LYS 31 1HZ LYS 31 3.015 -9.402 -8.343 254 HZ3 LYS 31 2HZ LYS 31 3.009 -8.129 -9.439 255 H ALA 32 H ALA 32 1.725 -14.743 -5.786 256 HA ALA 32 HA ALA 32 0.732 -17.229 -6.699 257 HB1 ALA 32 1HB ALA 32 2.783 -17.128 -5.433 258 HB2 ALA 32 2HB ALA 32 1.612 -18.095 -4.540 259 HB3 ALA 32 3HB ALA 32 1.949 -16.438 -4.039 260 H GLY 33 H GLY 33 -0.805 -14.706 -5.167 261 HA2 GLY 33 2HA GLY 33 -3.033 -14.599 -4.608 262 HA3 GLY 33 1HA GLY 33 -3.135 -16.348 -4.666 263 H GLU 34 H GLU 34 -0.645 -14.784 -2.753 264 HA GLU 34 HA GLU 34 -1.816 -15.939 -0.378 265 HB2 GLU 34 2HB GLU 34 0.808 -14.431 -0.719 266 HB3 GLU 34 1HB GLU 34 0.174 -15.021 0.818 267 HG2 GLU 34 2HG GLU 34 0.033 -17.342 -0.269 268 HG3 GLU 34 1HG GLU 34 0.924 -16.671 -1.590 269 H LYS 35 H LYS 35 -2.148 -14.707 1.557 270 HA LYS 35 HA LYS 35 -3.918 -12.568 1.140 271 HB2 LYS 35 2HB LYS 35 -3.905 -14.136 3.124 272 HB3 LYS 35 1HB LYS 35 -2.480 -13.286 3.703 273 HG2 LYS 35 2HG LYS 35 -3.761 -11.188 3.889 274 HG3 LYS 35 1HG LYS 35 -5.170 -11.977 3.188 275 HD2 LYS 35 2HD LYS 35 -5.275 -13.552 5.050 276 HD3 LYS 35 1HD LYS 35 -3.871 -12.831 5.805 277 HE2 LYS 35 2HE LYS 35 -6.450 -11.342 5.184 278 HE3 LYS 35 1HE LYS 35 -6.041 -12.011 6.750 279 HZ1 LYS 35 3HZ LYS 35 -3.871 -10.678 6.464 280 HZ2 LYS 35 1HZ LYS 35 -5.242 -9.826 6.944 281 HZ3 LYS 35 2HZ LYS 35 -4.795 -9.767 5.344 282 H PHE 36 H PHE 36 -3.574 -10.425 0.994 283 HA PHE 36 HA PHE 36 -1.039 -9.286 0.566 284 HB2 PHE 36 2HB PHE 36 -3.275 -8.284 -0.118 285 HB3 PHE 36 1HB PHE 36 -3.506 -7.819 1.564 286 HD1 PHE 36 1HD PHE 36 -1.429 -7.306 -1.462 287 HD2 PHE 36 2HD PHE 36 -2.281 -5.959 2.539 288 HE1 PHE 36 1HE PHE 36 -0.098 -5.257 -1.860 289 HE2 PHE 36 2HE PHE 36 -0.950 -3.904 2.126 290 HZ PHE 36 HZ PHE 36 0.140 -3.560 -0.088 291 H GLY 37 H GLY 37 -3.140 -9.413 3.360 292 HA2 GLY 37 2HA GLY 37 -1.570 -8.029 5.238 293 HA3 GLY 37 1HA GLY 37 -2.759 -9.293 5.601 294 H LYS 38 H LYS 38 -1.472 -11.377 4.156 295 HA LYS 38 HA LYS 38 0.318 -12.313 6.143 296 HB2 LYS 38 2HB LYS 38 -0.800 -13.891 4.655 297 HB3 LYS 38 1HB LYS 38 0.001 -13.199 3.246 298 HG2 LYS 38 2HG LYS 38 2.183 -13.842 4.171 299 HG3 LYS 38 1HG LYS 38 1.388 -14.573 5.570 300 HD2 LYS 38 2HD LYS 38 0.205 -16.135 4.085 301 HD3 LYS 38 1HD LYS 38 0.946 -15.387 2.671 302 HE2 LYS 38 2HE LYS 38 2.553 -16.656 4.919 303 HE3 LYS 38 1HE LYS 38 2.075 -17.494 3.454 304 HZ1 LYS 38 3HZ LYS 38 3.134 -15.749 2.147 305 HZ2 LYS 38 1HZ LYS 38 4.255 -16.571 3.096 306 HZ3 LYS 38 2HZ LYS 38 3.803 -15.052 3.587 307 H LEU 39 H LEU 39 0.817 -10.915 2.954 308 HA LEU 39 HA LEU 39 3.623 -10.831 3.162 309 HB2 LEU 39 2HB LEU 39 1.650 -9.459 1.366 310 HB3 LEU 39 1HB LEU 39 3.328 -8.933 1.378 311 HG LEU 39 HG LEU 39 3.021 -10.662 -0.366 312 HD11 LEU 39 1HD1 LEU 39 4.613 -12.252 1.449 313 HD12 LEU 39 2HD1 LEU 39 4.995 -10.547 1.557 314 HD13 LEU 39 3HD1 LEU 39 5.083 -11.369 -0.000 315 HD21 LEU 39 3HD2 LEU 39 2.499 -12.972 0.267 316 HD22 LEU 39 1HD2 LEU 39 1.164 -11.936 0.758 317 HD23 LEU 39 2HD2 LEU 39 2.334 -12.524 1.949 318 H ALA 40 H ALA 40 1.099 -8.512 4.081 319 HA ALA 40 HA ALA 40 2.877 -6.396 4.665 320 HB1 ALA 40 1HB ALA 40 0.347 -6.801 6.199 321 HB2 ALA 40 2HB ALA 40 0.281 -6.392 4.482 322 HB3 ALA 40 3HB ALA 40 1.071 -5.300 5.623 323 H LYS 41 H LYS 41 1.562 -8.999 6.624 324 HA LYS 41 HA LYS 41 2.747 -8.329 9.137 325 HB2 LYS 41 2HB LYS 41 1.822 -10.925 7.908 326 HB3 LYS 41 1HB LYS 41 2.369 -10.789 9.571 327 HG2 LYS 41 2HG LYS 41 0.140 -9.041 8.480 328 HG3 LYS 41 1HG LYS 41 -0.183 -10.645 9.123 329 HD2 LYS 41 2HD LYS 41 1.073 -9.917 11.224 330 HD3 LYS 41 1HD LYS 41 0.944 -8.255 10.646 331 HE2 LYS 41 2HE LYS 41 -1.473 -10.084 10.860 332 HE3 LYS 41 1HE LYS 41 -0.923 -9.126 12.217 333 HZ1 LYS 41 3HZ LYS 41 -0.955 -7.271 10.298 334 HZ2 LYS 41 1HZ LYS 41 -2.313 -7.622 11.279 335 HZ3 LYS 41 2HZ LYS 41 -2.209 -8.333 9.760 336 H GLU 42 H GLU 42 3.706 -10.310 6.404 337 HA GLU 42 HA GLU 42 6.097 -11.273 7.620 338 HB2 GLU 42 2HB GLU 42 4.864 -11.456 4.923 339 HB3 GLU 42 1HB GLU 42 6.440 -12.154 5.167 340 HG2 GLU 42 2HG GLU 42 5.516 -13.497 7.069 341 HG3 GLU 42 1HG GLU 42 3.964 -12.747 6.804 342 H LEU 43 H LEU 43 5.669 -9.208 4.755 343 HA LEU 43 HA LEU 43 8.476 -8.563 4.810 344 HB2 LEU 43 2HB LEU 43 6.360 -8.646 2.850 345 HB3 LEU 43 1HB LEU 43 7.343 -7.203 2.704 346 HG LEU 43 HG LEU 43 8.983 -9.609 3.229 347 HD11 LEU 43 1HD1 LEU 43 8.535 -10.862 1.442 348 HD12 LEU 43 2HD1 LEU 43 8.010 -9.512 0.432 349 HD13 LEU 43 3HD1 LEU 43 6.923 -10.212 1.648 350 HD21 LEU 43 3HD2 LEU 43 9.635 -7.260 2.592 351 HD22 LEU 43 1HD2 LEU 43 9.015 -7.604 0.976 352 HD23 LEU 43 2HD2 LEU 43 10.371 -8.545 1.627 353 H SER 44 H SER 44 5.515 -6.642 4.862 354 HA SER 44 HA SER 44 6.706 -4.206 4.538 355 HB2 SER 44 2HB SER 44 4.196 -4.779 4.640 356 HB3 SER 44 1HB SER 44 4.392 -4.532 6.365 357 HG SER 44 HG SER 44 3.947 -2.497 5.707 358 H ILE 45 H ILE 45 7.709 -2.688 5.791 359 HA ILE 45 HA ILE 45 8.424 -3.478 8.524 360 HB ILE 45 HB ILE 45 10.127 -1.737 8.425 361 HG12 ILE 45 2HG1 ILE 45 9.146 -1.229 5.589 362 HG13 ILE 45 1HG1 ILE 45 8.854 -0.151 6.964 363 HG21 ILE 45 1HG2 ILE 45 10.170 -3.368 5.874 364 HG22 ILE 45 2HG2 ILE 45 10.519 -4.043 7.461 365 HG23 ILE 45 3HG2 ILE 45 11.556 -2.793 6.790 366 HD11 ILE 45 3HD1 ILE 45 11.079 -0.140 5.263 367 HD12 ILE 45 1HD1 ILE 45 11.681 -0.794 6.778 368 HD13 ILE 45 2HD1 ILE 45 10.893 0.774 6.750 369 H ASP 46 H ASP 46 6.023 -1.875 7.093 370 HA ASP 46 HA ASP 46 5.705 0.307 8.994 371 HB2 ASP 46 2HB ASP 46 4.809 0.496 6.695 372 HB3 ASP 46 1HB ASP 46 3.745 -0.881 6.998 373 H GLY 47 H GLY 47 5.620 -0.614 10.984 374 HA2 GLY 47 2HA GLY 47 4.511 -3.089 11.624 375 HA3 GLY 47 1HA GLY 47 4.817 -1.798 12.785 376 H GLY 48 H GLY 48 3.084 0.133 12.195 377 HA2 GLY 48 2HA GLY 48 0.684 -0.750 13.290 378 HA3 GLY 48 1HA GLY 48 0.852 0.773 12.428 379 H SER 49 H SER 49 1.529 -0.165 9.910 380 HA SER 49 HA SER 49 -1.021 -1.095 8.997 381 HB2 SER 49 2HB SER 49 1.521 -0.769 7.429 382 HB3 SER 49 1HB SER 49 -0.100 -0.947 6.783 383 HG SER 49 HG SER 49 1.124 1.280 7.598 384 H ALA 50 H ALA 50 2.049 -2.625 9.740 385 HA ALA 50 HA ALA 50 1.435 -5.097 8.469 386 HB1 ALA 50 1HB ALA 50 3.145 -6.048 9.991 387 HB2 ALA 50 2HB ALA 50 3.191 -4.530 10.879 388 HB3 ALA 50 3HB ALA 50 3.716 -4.585 9.194 389 H LYS 51 H LYS 51 0.734 -3.673 11.594 390 HA LYS 51 HA LYS 51 -0.555 -5.899 12.814 391 HB2 LYS 51 2HB LYS 51 -1.151 -2.922 13.151 392 HB3 LYS 51 1HB LYS 51 -1.708 -4.210 14.189 393 HG2 LYS 51 2HG LYS 51 1.230 -3.555 13.749 394 HG3 LYS 51 1HG LYS 51 0.268 -3.042 15.125 395 HD2 LYS 51 2HD LYS 51 -0.152 -5.369 15.741 396 HD3 LYS 51 1HD LYS 51 0.809 -5.928 14.364 397 HE2 LYS 51 2HE LYS 51 2.782 -4.767 15.249 398 HE3 LYS 51 1HE LYS 51 1.865 -4.164 16.612 399 HZ1 LYS 51 3HZ LYS 51 2.714 -6.015 17.533 400 HZ2 LYS 51 1HZ LYS 51 2.857 -6.836 16.071 401 HZ3 LYS 51 2HZ LYS 51 1.351 -6.748 16.857 402 H ARG 52 H ARG 52 -1.490 -3.453 10.537 403 HA ARG 52 HA ARG 52 -4.279 -4.345 10.466 404 HB2 ARG 52 2HB ARG 52 -2.878 -2.098 8.994 405 HB3 ARG 52 1HB ARG 52 -4.583 -2.444 8.947 406 HG2 ARG 52 2HG ARG 52 -4.819 -2.034 11.330 407 HG3 ARG 52 1HG ARG 52 -3.088 -1.737 11.522 408 HD2 ARG 52 2HD ARG 52 -4.964 -0.124 9.750 409 HD3 ARG 52 1HD ARG 52 -4.401 0.361 11.332 410 HE ARG 52 HE ARG 52 -2.108 -0.205 9.912 411 HH11 ARG 52 1HH2 ARG 52 -4.835 1.963 9.676 412 HH12 ARG 52 2HH2 ARG 52 -4.021 3.192 8.836 413 HH21 ARG 52 1HH1 ARG 52 -0.921 1.477 8.668 414 HH22 ARG 52 2HH1 ARG 52 -1.768 2.884 8.277 415 H ASP 53 H ASP 53 -1.821 -5.839 9.329 416 HA ASP 53 HA ASP 53 -1.408 -7.246 7.509 417 HB2 ASP 53 2HB ASP 53 -4.242 -6.503 6.884 418 HB3 ASP 53 1HB ASP 53 -3.432 -7.656 5.976 419 H GLY 54 H GLY 54 -0.975 -4.326 7.407 420 HA2 GLY 54 2HA GLY 54 -0.195 -2.821 5.822 421 HA3 GLY 54 1HA GLY 54 -0.488 -4.030 4.579 422 H SER 55 H SER 55 -3.305 -4.116 6.161 423 HA SER 55 HA SER 55 -4.666 -2.594 4.179 424 HB2 SER 55 2HB SER 55 -5.929 -3.643 6.708 425 HB3 SER 55 1HB SER 55 -6.637 -3.405 5.133 426 HG SER 55 HG SER 55 -4.438 -5.125 5.171 427 H LEU 56 H LEU 56 -4.000 -0.502 4.334 428 HA LEU 56 HA LEU 56 -3.964 1.064 6.675 429 HB2 LEU 56 2HB LEU 56 -4.424 1.863 3.771 430 HB3 LEU 56 1HB LEU 56 -4.064 2.964 5.078 431 HG LEU 56 HG LEU 56 -2.215 0.718 4.182 432 HD11 LEU 56 1HD1 LEU 56 -0.777 2.604 3.411 433 HD12 LEU 56 2HD1 LEU 56 -2.120 3.695 3.679 434 HD13 LEU 56 3HD1 LEU 56 -2.253 2.405 2.475 435 HD21 LEU 56 3HD2 LEU 56 -0.585 2.074 5.607 436 HD22 LEU 56 1HD2 LEU 56 -1.793 1.156 6.501 437 HD23 LEU 56 2HD2 LEU 56 -1.969 2.916 6.263 438 H GLY 57 H GLY 57 -6.326 0.239 4.253 439 HA2 GLY 57 2HA GLY 57 -8.634 0.241 4.351 440 HA3 GLY 57 1HA GLY 57 -8.553 0.898 5.991 441 H TYR 58 H TYR 58 -9.662 2.761 5.926 442 HA TYR 58 HA TYR 58 -9.646 4.467 3.592 443 HB2 TYR 58 2HB TYR 58 -10.750 5.082 6.330 444 HB3 TYR 58 1HB TYR 58 -11.057 5.936 4.865 445 HD1 TYR 58 2HD TYR 58 -11.487 2.572 6.403 446 HD2 TYR 58 1HD TYR 58 -12.781 5.302 3.342 447 HE1 TYR 58 2HE TYR 58 -13.310 1.074 5.852 448 HE2 TYR 58 1HE TYR 58 -14.623 3.786 2.795 449 HH TYR 58 HH TYR 58 -15.921 1.930 4.265 450 H PHE 59 H PHE 59 -8.415 6.237 3.329 451 HA PHE 59 HA PHE 59 -7.486 7.669 5.650 452 HB2 PHE 59 2HB PHE 59 -5.177 7.975 4.804 453 HB3 PHE 59 1HB PHE 59 -5.522 6.314 5.247 454 HD1 PHE 59 1HD PHE 59 -5.082 8.667 2.400 455 HD2 PHE 59 2HD PHE 59 -5.593 4.557 3.589 456 HE1 PHE 59 1HE PHE 59 -4.446 7.930 0.140 457 HE2 PHE 59 2HE PHE 59 -4.958 3.827 1.320 458 HZ PHE 59 HZ PHE 59 -4.380 5.506 -0.410 459 H GLY 60 H GLY 60 -7.133 9.852 5.277 460 HA2 GLY 60 2HA GLY 60 -8.785 10.810 3.162 461 HA3 GLY 60 1HA GLY 60 -8.041 11.815 4.386 462 H ARG 61 H ARG 61 -8.054 12.950 2.079 463 HA ARG 61 HA ARG 61 -5.985 12.297 0.232 464 HB2 ARG 61 2HB ARG 61 -7.558 14.833 0.718 465 HB3 ARG 61 1HB ARG 61 -6.554 14.507 -0.678 466 HG2 ARG 61 2HG ARG 61 -7.987 12.699 -1.404 467 HG3 ARG 61 1HG ARG 61 -8.920 12.738 0.089 468 HD2 ARG 61 2HD ARG 61 -8.717 15.001 -1.918 469 HD3 ARG 61 1HD ARG 61 -10.079 13.926 -1.751 470 HE ARG 61 HE ARG 61 -10.150 14.727 0.679 471 HH11 ARG 61 1HH2 ARG 61 -9.170 16.721 -2.022 472 HH12 ARG 61 2HH2 ARG 61 -9.437 18.188 -1.194 473 HH21 ARG 61 1HH1 ARG 61 -10.466 16.706 1.780 474 HH22 ARG 61 2HH1 ARG 61 -10.167 18.186 0.983 475 H GLY 62 H GLY 62 -3.976 13.292 0.049 476 HA2 GLY 62 2HA GLY 62 -2.156 14.419 0.608 477 HA3 GLY 62 1HA GLY 62 -3.194 15.627 1.360 478 H LYS 63 H LYS 63 -2.142 12.318 1.980 479 HA LYS 63 HA LYS 63 -1.487 13.033 4.796 480 HB2 LYS 63 2HB LYS 63 -2.946 10.549 3.895 481 HB3 LYS 63 1HB LYS 63 -2.485 10.934 5.558 482 HG2 LYS 63 2HG LYS 63 -4.351 12.617 3.841 483 HG3 LYS 63 1HG LYS 63 -4.888 11.456 5.033 484 HD2 LYS 63 2HD LYS 63 -4.028 12.692 6.846 485 HD3 LYS 63 1HD LYS 63 -2.996 13.698 5.843 486 HE2 LYS 63 2HE LYS 63 -6.006 13.703 5.549 487 HE3 LYS 63 1HE LYS 63 -5.198 14.722 6.724 488 HZ1 LYS 63 3HZ LYS 63 -3.752 15.126 4.432 489 HZ2 LYS 63 1HZ LYS 63 -4.944 16.162 5.052 490 HZ3 LYS 63 2HZ LYS 63 -5.328 14.994 3.863 491 H MET 64 H MET 64 -0.972 10.909 2.035 492 HA MET 64 HA MET 64 1.561 10.031 3.247 493 HB2 MET 64 2HB MET 64 -0.369 8.550 1.475 494 HB3 MET 64 1HB MET 64 1.250 7.953 1.836 495 HG2 MET 64 2HG MET 64 0.737 8.035 4.270 496 HG3 MET 64 1HG MET 64 -0.889 8.600 3.889 497 HE1 MET 64 3HE MET 64 -2.627 7.500 2.904 498 HE2 MET 64 1HE MET 64 -2.798 5.786 2.531 499 HE3 MET 64 2HE MET 64 -1.964 6.870 1.428 500 H VAL 65 H VAL 65 3.257 9.582 1.666 501 HA VAL 65 HA VAL 65 3.786 11.796 0.189 502 HB VAL 65 HB VAL 65 5.616 10.578 -0.862 503 HG11 VAL 65 1HG1 VAL 65 5.312 10.954 1.792 504 HG12 VAL 65 2HG1 VAL 65 6.748 10.221 1.110 505 HG13 VAL 65 3HG1 VAL 65 5.469 9.203 1.778 506 HG21 VAL 65 3HG2 VAL 65 3.956 8.478 -1.148 507 HG22 VAL 65 1HG2 VAL 65 4.751 7.960 0.329 508 HG23 VAL 65 2HG2 VAL 65 5.690 8.269 -1.134 509 H LYS 66 H LYS 66 3.333 12.580 -1.755 510 HA LYS 66 HA LYS 66 1.038 12.036 -2.999 511 HB2 LYS 66 2HB LYS 66 2.266 14.051 -3.491 512 HB3 LYS 66 1HB LYS 66 3.511 13.140 -4.350 513 HG2 LYS 66 2HG LYS 66 0.786 12.603 -5.359 514 HG3 LYS 66 1HG LYS 66 1.256 14.290 -5.503 515 HD2 LYS 66 2HD LYS 66 2.568 13.813 -7.279 516 HD3 LYS 66 1HD LYS 66 3.519 12.695 -6.330 517 HE2 LYS 66 2HE LYS 66 2.497 11.619 -8.326 518 HE3 LYS 66 1HE LYS 66 2.055 10.878 -6.807 519 HZ1 LYS 66 3HZ LYS 66 0.375 12.907 -8.193 520 HZ2 LYS 66 1HZ LYS 66 -0.113 11.979 -6.873 521 HZ3 LYS 66 2HZ LYS 66 0.129 11.259 -8.383 522 HA PRO 67 HA PRO 67 3.198 9.128 -6.304 523 HB2 PRO 67 2HB PRO 67 5.154 7.576 -5.180 524 HB3 PRO 67 1HB PRO 67 5.492 9.014 -6.129 525 HG2 PRO 67 2HG PRO 67 5.345 8.747 -3.167 526 HG3 PRO 67 1HG PRO 67 6.547 9.595 -4.134 527 HD2 PRO 67 2HD PRO 67 4.716 11.058 -3.000 528 HD3 PRO 67 1HD PRO 67 5.083 11.361 -4.719 529 H PHE 68 H PHE 68 3.166 8.366 -2.892 530 HA PHE 68 HA PHE 68 2.246 5.654 -3.038 531 HB2 PHE 68 2HB PHE 68 3.259 6.569 -0.998 532 HB3 PHE 68 1HB PHE 68 1.897 7.672 -0.783 533 HD1 PHE 68 2HD PHE 68 -0.346 6.761 -0.237 534 HD2 PHE 68 1HD PHE 68 3.112 4.241 -0.568 535 HE1 PHE 68 2HE PHE 68 -1.559 4.926 0.900 536 HE2 PHE 68 1HE PHE 68 1.903 2.438 0.561 537 HZ PHE 68 HZ PHE 68 -0.445 2.785 1.304 538 H GLU 69 H GLU 69 0.629 8.744 -2.432 539 HA GLU 69 HA GLU 69 -1.976 7.663 -2.360 540 HB2 GLU 69 2HB GLU 69 -0.963 10.451 -2.887 541 HB3 GLU 69 1HB GLU 69 -2.689 10.074 -2.774 542 HG2 GLU 69 2HG GLU 69 -2.317 9.156 -0.495 543 HG3 GLU 69 1HG GLU 69 -0.603 9.559 -0.620 544 H ASP 70 H ASP 70 -0.013 8.966 -4.930 545 HA ASP 70 HA ASP 70 -1.927 9.098 -6.998 546 HB2 ASP 70 2HB ASP 70 0.489 9.845 -6.995 547 HB3 ASP 70 1HB ASP 70 0.905 8.186 -7.396 548 H ALA 71 H ALA 71 0.221 6.472 -6.038 549 HA ALA 71 HA ALA 71 -0.763 4.611 -7.934 550 HB1 ALA 71 1HB ALA 71 0.121 2.991 -5.928 551 HB2 ALA 71 2HB ALA 71 0.970 4.484 -5.537 552 HB3 ALA 71 3HB ALA 71 1.176 3.741 -7.119 553 H ALA 72 H ALA 72 -1.689 5.404 -4.614 554 HA ALA 72 HA ALA 72 -3.567 3.340 -4.251 555 HB1 ALA 72 1HB ALA 72 -2.678 4.929 -2.450 556 HB2 ALA 72 2HB ALA 72 -4.402 4.584 -2.418 557 HB3 ALA 72 3HB ALA 72 -3.833 6.111 -3.075 558 H PHE 73 H PHE 73 -3.920 6.648 -5.424 559 HA PHE 73 HA PHE 73 -6.694 6.486 -5.962 560 HB2 PHE 73 2HB PHE 73 -4.533 8.261 -7.115 561 HB3 PHE 73 1HB PHE 73 -6.196 8.352 -7.657 562 HD1 PHE 73 2HD PHE 73 -8.045 8.679 -5.844 563 HD2 PHE 73 1HD PHE 73 -3.861 9.472 -5.182 564 HE1 PHE 73 2HE PHE 73 -8.607 10.133 -3.931 565 HE2 PHE 73 1HE PHE 73 -4.433 10.916 -3.266 566 HZ PHE 73 HZ PHE 73 -6.813 11.251 -2.635 567 H ARG 74 H ARG 74 -3.804 5.888 -7.909 568 HA ARG 74 HA ARG 74 -5.071 5.597 -10.385 569 HB2 ARG 74 2HB ARG 74 -2.542 5.721 -9.846 570 HB3 ARG 74 1HB ARG 74 -2.648 3.970 -9.641 571 HG2 ARG 74 2HG ARG 74 -3.777 3.918 -11.964 572 HG3 ARG 74 1HG ARG 74 -3.289 5.596 -12.108 573 HD2 ARG 74 2HD ARG 74 -1.573 4.333 -13.158 574 HD3 ARG 74 1HD ARG 74 -0.924 4.871 -11.600 575 HE ARG 74 HE ARG 74 -2.218 2.237 -11.728 576 HH11 ARG 74 1HH2 ARG 74 0.791 4.059 -11.591 577 HH12 ARG 74 2HH2 ARG 74 1.714 2.652 -11.223 578 HH21 ARG 74 1HH1 ARG 74 -0.912 0.424 -11.188 579 HH22 ARG 74 2HH1 ARG 74 0.771 0.631 -10.957 580 H LEU 75 H LEU 75 -4.131 3.136 -7.992 581 HA LEU 75 HA LEU 75 -5.495 1.115 -9.580 582 HB2 LEU 75 2HB LEU 75 -3.589 0.747 -7.263 583 HB3 LEU 75 1HB LEU 75 -4.333 -0.530 -8.186 584 HG LEU 75 HG LEU 75 -2.617 1.638 -9.435 585 HD11 LEU 75 1HD1 LEU 75 -1.861 -0.707 -8.006 586 HD12 LEU 75 2HD1 LEU 75 -0.863 0.457 -8.887 587 HD13 LEU 75 3HD1 LEU 75 -1.499 -0.962 -9.719 588 HD21 LEU 75 3HD2 LEU 75 -2.687 -0.252 -11.306 589 HD22 LEU 75 1HD2 LEU 75 -4.006 0.897 -11.185 590 HD23 LEU 75 2HD2 LEU 75 -4.170 -0.722 -10.512 591 H GLN 76 H GLN 76 -7.130 2.908 -8.141 592 HA GLN 76 HA GLN 76 -8.229 1.776 -5.824 593 HB2 GLN 76 2HB GLN 76 -9.625 3.273 -8.090 594 HB3 GLN 76 1HB GLN 76 -10.344 2.863 -6.537 595 HG2 GLN 76 2HG GLN 76 -8.776 4.159 -5.315 596 HG3 GLN 76 1HG GLN 76 -7.763 4.435 -6.715 597 HE21 GLN 76 1HE2 GLN 76 -8.066 6.459 -7.574 598 HE22 GLN 76 2HE2 GLN 76 -9.501 7.369 -7.521 599 H VAL 77 H VAL 77 -8.084 0.722 -9.041 600 HA VAL 77 HA VAL 77 -10.309 -0.974 -9.284 601 HB VAL 77 HB VAL 77 -9.209 -1.867 -11.151 602 HG11 VAL 77 1HG1 VAL 77 -9.417 0.783 -10.844 603 HG12 VAL 77 2HG1 VAL 77 -8.764 0.042 -12.328 604 HG13 VAL 77 3HG1 VAL 77 -7.675 0.635 -11.075 605 HG21 VAL 77 3HG2 VAL 77 -7.140 -2.719 -10.228 606 HG22 VAL 77 1HG2 VAL 77 -6.611 -1.099 -9.748 607 HG23 VAL 77 2HG2 VAL 77 -6.696 -1.552 -11.452 608 H GLY 78 H GLY 78 -7.096 -1.430 -7.895 609 HA2 GLY 78 2HA GLY 78 -7.036 -2.774 -5.902 610 HA3 GLY 78 1HA GLY 78 -8.068 -3.961 -6.756 611 H GLU 79 H GLU 79 -5.778 -2.653 -8.745 612 HA GLU 79 HA GLU 79 -4.338 -5.117 -8.941 613 HB2 GLU 79 2HB GLU 79 -4.838 -3.002 -10.646 614 HB3 GLU 79 1HB GLU 79 -3.144 -2.786 -10.238 615 HG2 GLU 79 2HG GLU 79 -2.922 -4.241 -11.994 616 HG3 GLU 79 1HG GLU 79 -3.064 -5.425 -10.700 617 H VAL 80 H VAL 80 -2.120 -5.405 -8.431 618 HA VAL 80 HA VAL 80 -1.217 -3.964 -6.117 619 HB VAL 80 HB VAL 80 0.286 -5.920 -7.899 620 HG11 VAL 80 1HG1 VAL 80 1.017 -4.550 -5.326 621 HG12 VAL 80 2HG1 VAL 80 1.932 -4.757 -6.819 622 HG13 VAL 80 3HG1 VAL 80 1.679 -6.137 -5.753 623 HG21 VAL 80 3HG2 VAL 80 -1.528 -7.121 -6.858 624 HG22 VAL 80 1HG2 VAL 80 -1.308 -6.267 -5.325 625 HG23 VAL 80 2HG2 VAL 80 -0.106 -7.436 -5.863 626 H SER 81 H SER 81 -0.010 -2.151 -6.081 627 HA SER 81 HA SER 81 0.665 -0.841 -8.559 628 HB2 SER 81 2HB SER 81 1.572 0.860 -6.903 629 HB3 SER 81 1HB SER 81 -0.170 0.557 -6.839 630 HG SER 81 HG SER 81 0.120 -0.648 -5.072 631 H GLU 82 H GLU 82 2.685 -0.072 -9.121 632 HA GLU 82 HA GLU 82 4.880 -1.869 -8.840 633 HB2 GLU 82 2HB GLU 82 5.007 1.042 -9.727 634 HB3 GLU 82 1HB GLU 82 6.102 -0.279 -10.146 635 HG2 GLU 82 2HG GLU 82 4.822 -0.163 -12.011 636 HG3 GLU 82 1HG GLU 82 3.974 -1.395 -11.095 637 HA PRO 83 HA PRO 83 6.685 -0.458 -5.043 638 HB2 PRO 83 2HB PRO 83 9.136 0.411 -6.489 639 HB3 PRO 83 1HB PRO 83 8.962 -0.705 -5.118 640 HG2 PRO 83 2HG PRO 83 9.500 -1.640 -7.505 641 HG3 PRO 83 1HG PRO 83 8.341 -2.487 -6.466 642 HD2 PRO 83 2HD PRO 83 7.745 -0.750 -8.855 643 HD3 PRO 83 1HD PRO 83 6.971 -2.229 -8.303 644 H VAL 84 H VAL 84 6.219 1.460 -4.080 645 HA VAL 84 HA VAL 84 6.454 3.969 -5.606 646 HB VAL 84 HB VAL 84 4.877 3.295 -3.115 647 HG11 VAL 84 1HG1 VAL 84 5.757 5.817 -4.047 648 HG12 VAL 84 2HG1 VAL 84 4.563 5.483 -2.808 649 HG13 VAL 84 3HG1 VAL 84 4.054 5.698 -4.488 650 HG21 VAL 84 3HG2 VAL 84 3.980 2.253 -5.196 651 HG22 VAL 84 1HG2 VAL 84 3.945 3.843 -5.965 652 HG23 VAL 84 2HG2 VAL 84 2.918 3.504 -4.582 653 H LYS 85 H LYS 85 8.305 5.053 -5.146 654 HA LYS 85 HA LYS 85 9.607 4.525 -2.617 655 HB2 LYS 85 2HB LYS 85 10.992 4.742 -4.695 656 HB3 LYS 85 1HB LYS 85 10.534 6.438 -4.764 657 HG2 LYS 85 2HG LYS 85 11.454 6.856 -2.537 658 HG3 LYS 85 1HG LYS 85 11.840 5.158 -2.343 659 HD2 LYS 85 2HD LYS 85 13.413 5.314 -4.270 660 HD3 LYS 85 1HD LYS 85 13.062 7.027 -4.413 661 HE2 LYS 85 2HE LYS 85 14.283 5.635 -2.010 662 HE3 LYS 85 1HE LYS 85 15.084 6.774 -3.072 663 HZ1 LYS 85 3HZ LYS 85 13.115 7.300 -0.950 664 HZ2 LYS 85 1HZ LYS 85 13.064 8.312 -2.306 665 HZ3 LYS 85 2HZ LYS 85 14.471 8.115 -1.398 666 H SER 86 H SER 86 9.797 5.859 -0.945 667 HA SER 86 HA SER 86 8.709 8.568 -1.128 668 HB2 SER 86 2HB SER 86 7.493 8.255 0.916 669 HB3 SER 86 1HB SER 86 7.041 6.929 -0.146 670 HG SER 86 HG SER 86 7.899 5.599 1.220 671 H GLU 87 H GLU 87 9.343 9.636 1.040 672 HA GLU 87 HA GLU 87 12.184 9.528 1.392 673 HB2 GLU 87 2HB GLU 87 11.012 10.579 3.766 674 HB3 GLU 87 1HB GLU 87 11.747 11.480 2.455 675 HG2 GLU 87 2HG GLU 87 8.812 10.643 2.581 676 HG3 GLU 87 1HG GLU 87 9.420 12.219 2.946 677 H PHE 88 H PHE 88 9.449 7.987 2.828 678 HA PHE 88 HA PHE 88 10.690 6.852 5.104 679 HB2 PHE 88 2HB PHE 88 8.181 6.167 3.596 680 HB3 PHE 88 1HB PHE 88 8.671 5.349 5.061 681 HD1 PHE 88 1HD PHE 88 9.199 6.837 7.154 682 HD2 PHE 88 2HD PHE 88 7.035 8.241 3.701 683 HE1 PHE 88 1HE PHE 88 8.281 8.712 8.482 684 HE2 PHE 88 2HE PHE 88 6.111 10.104 5.040 685 HZ PHE 88 HZ PHE 88 6.731 10.345 7.427 686 H GLY 89 H GLY 89 10.140 5.687 1.797 687 HA2 GLY 89 2HA GLY 89 12.211 4.023 1.403 688 HA3 GLY 89 1HA GLY 89 11.172 3.039 2.432 689 H TYR 90 H TYR 90 10.638 1.500 0.844 690 HA TYR 90 HA TYR 90 9.205 2.541 -1.511 691 HB2 TYR 90 2HB TYR 90 10.583 -0.083 -0.976 692 HB3 TYR 90 1HB TYR 90 9.524 0.153 -2.347 693 HD1 TYR 90 2HD TYR 90 10.106 1.770 -4.148 694 HD2 TYR 90 1HD TYR 90 12.782 0.992 -0.862 695 HE1 TYR 90 2HE TYR 90 11.954 2.815 -5.404 696 HE2 TYR 90 1HE TYR 90 14.625 2.034 -2.117 697 HH TYR 90 HH TYR 90 15.083 3.401 -3.955 698 H HIS 91 H HIS 91 7.108 2.117 -1.764 699 HA HIS 91 HA HIS 91 5.793 0.306 0.179 700 HB2 HIS 91 2HB HIS 91 4.429 2.529 -1.324 701 HB3 HIS 91 1HB HIS 91 3.821 1.594 0.028 702 HD1 HIS 91 1HD HIS 91 3.767 2.961 2.066 703 HD2 HIS 91 2HD HIS 91 7.062 3.942 -0.288 704 HE1 HIS 91 1HE HIS 91 4.967 4.845 3.262 705 H VAL 92 H VAL 92 4.262 -1.105 -0.609 706 HA VAL 92 HA VAL 92 3.756 -1.126 -3.519 707 HB VAL 92 HB VAL 92 3.968 -3.495 -1.632 708 HG11 VAL 92 1HG1 VAL 92 3.086 -3.413 -4.534 709 HG12 VAL 92 2HG1 VAL 92 2.065 -3.811 -3.150 710 HG13 VAL 92 3HG1 VAL 92 3.385 -4.881 -3.606 711 HG21 VAL 92 3HG2 VAL 92 5.673 -4.216 -3.411 712 HG22 VAL 92 1HG2 VAL 92 6.143 -2.864 -2.383 713 HG23 VAL 92 2HG2 VAL 92 5.577 -2.571 -4.030 714 H ILE 93 H ILE 93 1.617 -0.734 -3.941 715 HA ILE 93 HA ILE 93 -0.167 -0.760 -1.592 716 HB ILE 93 HB ILE 93 -0.243 0.976 -4.057 717 HG12 ILE 93 2HG1 ILE 93 0.430 1.694 -1.192 718 HG13 ILE 93 1HG1 ILE 93 1.657 1.402 -2.429 719 HG21 ILE 93 1HG2 ILE 93 -1.902 0.931 -1.524 720 HG22 ILE 93 2HG2 ILE 93 -2.493 0.687 -3.169 721 HG23 ILE 93 3HG2 ILE 93 -1.901 2.269 -2.662 722 HD11 ILE 93 3HD1 ILE 93 -0.176 3.697 -2.088 723 HD12 ILE 93 1HD1 ILE 93 0.069 3.152 -3.749 724 HD13 ILE 93 2HD1 ILE 93 1.456 3.639 -2.772 725 H LYS 94 H LYS 94 -1.932 -1.847 -1.609 726 HA LYS 94 HA LYS 94 -3.143 -2.760 -4.135 727 HB2 LYS 94 2HB LYS 94 -2.249 -4.693 -3.031 728 HB3 LYS 94 1HB LYS 94 -3.001 -4.296 -1.497 729 HG2 LYS 94 2HG LYS 94 -5.228 -4.472 -2.543 730 HG3 LYS 94 1HG LYS 94 -4.465 -4.921 -4.082 731 HD2 LYS 94 2HD LYS 94 -3.470 -6.878 -2.995 732 HD3 LYS 94 1HD LYS 94 -4.240 -6.460 -1.469 733 HE2 LYS 94 2HE LYS 94 -5.748 -6.914 -4.055 734 HE3 LYS 94 1HE LYS 94 -5.524 -8.164 -2.832 735 HZ1 LYS 94 3HZ LYS 94 -6.469 -6.255 -1.280 736 HZ2 LYS 94 1HZ LYS 94 -7.473 -7.302 -2.135 737 HZ3 LYS 94 2HZ LYS 94 -7.194 -5.761 -2.740 738 H ARG 95 H ARG 95 -5.459 -2.683 -4.159 739 HA ARG 95 HA ARG 95 -6.560 -0.568 -2.489 740 HB2 ARG 95 2HB ARG 95 -7.163 -0.939 -4.953 741 HB3 ARG 95 1HB ARG 95 -8.164 -2.292 -4.365 742 HG2 ARG 95 2HG ARG 95 -8.696 0.075 -2.760 743 HG3 ARG 95 1HG ARG 95 -8.866 0.465 -4.455 744 HD2 ARG 95 2HD ARG 95 -10.274 -1.730 -2.946 745 HD3 ARG 95 1HD ARG 95 -10.982 -0.320 -3.698 746 HE ARG 95 HE ARG 95 -9.929 -1.411 -5.859 747 HH11 ARG 95 1HH2 ARG 95 -11.626 -2.923 -3.195 748 HH12 ARG 95 2HH2 ARG 95 -12.149 -4.278 -4.096 749 HH21 ARG 95 1HH1 ARG 95 -10.662 -3.274 -7.090 750 HH22 ARG 95 2HH1 ARG 95 -11.595 -4.476 -6.314 751 H LEU 96 H LEU 96 -8.197 -0.770 -0.920 752 HA LEU 96 HA LEU 96 -8.789 -3.529 -0.078 753 HB2 LEU 96 2HB LEU 96 -7.320 -2.415 1.540 754 HB3 LEU 96 1HB LEU 96 -8.448 -1.065 1.649 755 HG LEU 96 HG LEU 96 -10.212 -2.604 2.433 756 HD11 LEU 96 1HD1 LEU 96 -8.012 -4.614 1.998 757 HD12 LEU 96 2HD1 LEU 96 -9.743 -4.761 1.682 758 HD13 LEU 96 3HD1 LEU 96 -9.139 -4.876 3.323 759 HD21 LEU 96 3HD2 LEU 96 -8.722 -3.342 4.587 760 HD22 LEU 96 1HD2 LEU 96 -9.330 -1.715 4.340 761 HD23 LEU 96 2HD2 LEU 96 -7.674 -2.095 3.890 762 H GLY 97 H GLY 97 -10.896 -4.022 0.188 763 HA2 GLY 97 2HA GLY 97 -12.849 -1.855 -0.294 764 HA3 GLY 97 1HA GLY 97 -13.039 -3.485 -0.891 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -17.994 -0.383 0.717 2 HA2 GLY 1 2HA GLY 1 -20.554 -0.298 1.286 3 HA3 GLY 1 1HA GLY 1 -20.143 1.351 1.745 4 HA PRO 2 HA PRO 2 -21.397 1.261 -2.786 5 HB2 PRO 2 2HB PRO 2 -22.513 3.865 -1.889 6 HB3 PRO 2 1HB PRO 2 -23.249 2.601 -2.892 7 HG2 PRO 2 2HG PRO 2 -24.044 2.918 -0.418 8 HG3 PRO 2 1HG PRO 2 -23.816 1.286 -1.065 9 HD2 PRO 2 2HD PRO 2 -22.021 2.814 0.788 10 HD3 PRO 2 1HD PRO 2 -22.454 1.092 0.801 11 H MET 3 H MET 3 -20.297 2.350 -4.387 12 HA MET 3 HA MET 3 -17.928 3.732 -3.814 13 HB2 MET 3 2HB MET 3 -19.579 3.702 -6.356 14 HB3 MET 3 1HB MET 3 -17.985 4.424 -6.227 15 HG2 MET 3 2HG MET 3 -18.608 1.518 -5.629 16 HG3 MET 3 1HG MET 3 -17.813 2.110 -7.084 17 HE1 MET 3 3HE MET 3 -15.804 4.493 -5.851 18 HE2 MET 3 1HE MET 3 -15.796 3.364 -7.220 19 HE3 MET 3 2HE MET 3 -14.467 3.379 -6.072 20 H GLY 4 H GLY 4 -17.379 5.945 -4.241 21 HA2 GLY 4 2HA GLY 4 -17.785 8.249 -4.212 22 HA3 GLY 4 1HA GLY 4 -19.515 7.946 -4.106 23 H SER 5 H SER 5 -19.457 6.062 -1.977 24 HA SER 5 HA SER 5 -19.456 7.750 0.291 25 HB2 SER 5 2HB SER 5 -19.135 4.768 0.433 26 HB3 SER 5 1HB SER 5 -20.016 5.838 1.500 27 HG SER 5 HG SER 5 -20.648 4.705 -0.922 28 H MET 6 H MET 6 -17.781 8.333 1.552 29 HA MET 6 HA MET 6 -15.576 8.672 2.159 30 HB2 MET 6 2HB MET 6 -15.756 5.652 2.297 31 HB3 MET 6 1HB MET 6 -14.458 6.603 3.014 32 HG2 MET 6 2HG MET 6 -17.403 6.917 3.698 33 HG3 MET 6 1HG MET 6 -16.243 6.026 4.671 34 HE1 MET 6 3HE MET 6 -13.795 8.581 6.007 35 HE2 MET 6 1HE MET 6 -13.779 7.178 4.921 36 HE3 MET 6 2HE MET 6 -14.658 7.117 6.437 37 H ALA 7 H ALA 7 -16.237 8.022 -0.784 38 HA ALA 7 HA ALA 7 -14.061 6.644 -1.913 39 HB1 ALA 7 1HB ALA 7 -16.126 6.996 -3.146 40 HB2 ALA 7 2HB ALA 7 -14.746 7.625 -4.035 41 HB3 ALA 7 3HB ALA 7 -15.830 8.739 -3.206 42 H ASP 8 H ASP 8 -14.410 9.827 -0.732 43 HA ASP 8 HA ASP 8 -12.394 11.150 -2.137 44 HB2 ASP 8 2HB ASP 8 -13.880 12.347 -0.681 45 HB3 ASP 8 1HB ASP 8 -13.275 11.495 0.741 46 H LYS 9 H LYS 9 -12.442 8.976 0.563 47 HA LYS 9 HA LYS 9 -9.546 9.009 0.890 48 HB2 LYS 9 2HB LYS 9 -11.748 7.620 2.415 49 HB3 LYS 9 1HB LYS 9 -10.024 7.497 2.789 50 HG2 LYS 9 2HG LYS 9 -9.906 9.929 3.115 51 HG3 LYS 9 1HG LYS 9 -11.625 10.079 2.764 52 HD2 LYS 9 2HD LYS 9 -12.095 8.541 4.692 53 HD3 LYS 9 1HD LYS 9 -10.383 8.576 5.105 54 HE2 LYS 9 2HE LYS 9 -12.271 10.954 5.021 55 HE3 LYS 9 1HE LYS 9 -11.565 10.228 6.453 56 HZ1 LYS 9 3HZ LYS 9 -9.330 10.806 5.513 57 HZ2 LYS 9 1HZ LYS 9 -10.309 12.100 5.928 58 HZ3 LYS 9 2HZ LYS 9 -10.144 11.736 4.316 59 H ILE 10 H ILE 10 -8.458 6.972 0.866 60 HA ILE 10 HA ILE 10 -9.511 5.283 -1.310 61 HB ILE 10 HB ILE 10 -6.659 5.625 -0.387 62 HG12 ILE 10 2HG1 ILE 10 -7.546 7.659 -1.507 63 HG13 ILE 10 1HG1 ILE 10 -6.336 6.863 -2.483 64 HG21 ILE 10 1HG2 ILE 10 -8.003 3.836 -2.360 65 HG22 ILE 10 2HG2 ILE 10 -6.546 3.583 -1.410 66 HG23 ILE 10 3HG2 ILE 10 -6.481 4.562 -2.871 67 HD11 ILE 10 3HD1 ILE 10 -7.784 6.718 -4.166 68 HD12 ILE 10 1HD1 ILE 10 -9.099 7.342 -3.179 69 HD13 ILE 10 2HD1 ILE 10 -8.764 5.608 -3.229 70 H LYS 11 H LYS 11 -9.902 3.227 -0.919 71 HA LYS 11 HA LYS 11 -9.380 2.113 1.734 72 HB2 LYS 11 2HB LYS 11 -10.746 0.916 -0.695 73 HB3 LYS 11 1HB LYS 11 -10.622 0.186 0.882 74 HG2 LYS 11 2HG LYS 11 -11.937 1.875 1.906 75 HG3 LYS 11 1HG LYS 11 -11.936 2.892 0.464 76 HD2 LYS 11 2HD LYS 11 -14.053 1.740 0.337 77 HD3 LYS 11 1HD LYS 11 -13.014 0.842 -0.742 78 HE2 LYS 11 2HE LYS 11 -12.547 -0.826 1.058 79 HE3 LYS 11 1HE LYS 11 -13.592 0.070 2.150 80 HZ1 LYS 11 3HZ LYS 11 -14.469 -1.954 0.640 81 HZ2 LYS 11 1HZ LYS 11 -14.766 -0.685 -0.415 82 HZ3 LYS 11 2HZ LYS 11 -15.456 -0.667 1.098 83 H CYS 12 H CYS 12 -7.197 1.525 1.816 84 HA CYS 12 HA CYS 12 -6.320 -0.427 -0.184 85 HB2 CYS 12 2HB CYS 12 -4.925 0.865 -1.321 86 HB3 CYS 12 1HB CYS 12 -5.554 2.262 -0.464 87 HG CYS 12 HG CYS 12 -3.330 2.435 0.604 88 H SER 13 H SER 13 -4.182 -1.265 0.202 89 HA SER 13 HA SER 13 -3.436 -1.398 3.026 90 HB2 SER 13 2HB SER 13 -3.467 -3.808 1.200 91 HB3 SER 13 1HB SER 13 -3.233 -3.777 2.935 92 HG SER 13 HG SER 13 -5.505 -3.829 1.438 93 H HIS 14 H HIS 14 -1.299 -1.180 3.337 94 HA HIS 14 HA HIS 14 0.356 -1.316 0.902 95 HB2 HIS 14 2HB HIS 14 1.215 0.742 1.180 96 HB3 HIS 14 1HB HIS 14 -0.293 1.033 2.058 97 HD2 HIS 14 2HD HIS 14 0.312 0.078 5.029 98 HE1 HIS 14 1HE HIS 14 4.079 1.960 4.765 99 HE2 HIS 14 2HE HIS 14 2.351 0.998 6.370 100 H ILE 15 H ILE 15 2.457 -1.858 1.051 101 HA ILE 15 HA ILE 15 3.365 -3.117 3.549 102 HB ILE 15 HB ILE 15 3.662 -4.139 0.703 103 HG12 ILE 15 2HG1 ILE 15 2.385 -5.444 3.109 104 HG13 ILE 15 1HG1 ILE 15 1.470 -4.482 1.964 105 HG21 ILE 15 1HG2 ILE 15 5.174 -4.701 3.188 106 HG22 ILE 15 2HG2 ILE 15 5.598 -5.024 1.506 107 HG23 ILE 15 3HG2 ILE 15 4.541 -6.132 2.375 108 HD11 ILE 15 3HD1 ILE 15 3.172 -6.843 1.118 109 HD12 ILE 15 1HD1 ILE 15 1.951 -5.989 0.165 110 HD13 ILE 15 2HD1 ILE 15 1.459 -6.970 1.539 111 H LEU 16 H LEU 16 5.282 -2.335 4.184 112 HA LEU 16 HA LEU 16 6.680 -0.467 2.394 113 HB2 LEU 16 2HB LEU 16 5.849 0.336 4.627 114 HB3 LEU 16 1HB LEU 16 6.934 -0.809 5.374 115 HG LEU 16 HG LEU 16 8.897 0.293 4.306 116 HD11 LEU 16 1HD1 LEU 16 8.567 1.554 2.505 117 HD12 LEU 16 2HD1 LEU 16 7.841 2.778 3.521 118 HD13 LEU 16 3HD1 LEU 16 6.821 1.585 2.725 119 HD21 LEU 16 3HD2 LEU 16 7.200 2.396 5.685 120 HD22 LEU 16 1HD2 LEU 16 8.943 2.194 5.725 121 HD23 LEU 16 2HD2 LEU 16 7.907 1.050 6.566 122 H VAL 17 H VAL 17 8.637 -0.905 1.617 123 HA VAL 17 HA VAL 17 10.273 -3.001 2.887 124 HB VAL 17 HB VAL 17 10.992 -3.678 0.631 125 HG11 VAL 17 1HG1 VAL 17 9.357 -5.015 1.686 126 HG12 VAL 17 2HG1 VAL 17 8.829 -4.832 0.015 127 HG13 VAL 17 3HG1 VAL 17 8.045 -3.899 1.295 128 HG21 VAL 17 3HG2 VAL 17 9.491 -3.043 -1.278 129 HG22 VAL 17 1HG2 VAL 17 10.483 -1.725 -0.672 130 HG23 VAL 17 2HG2 VAL 17 8.763 -1.811 -0.247 131 H LYS 18 H LYS 18 12.503 -2.804 2.526 132 HA LYS 18 HA LYS 18 13.517 -0.123 2.610 133 HB2 LYS 18 2HB LYS 18 14.872 -2.814 2.458 134 HB3 LYS 18 1HB LYS 18 15.740 -1.287 2.597 135 HG2 LYS 18 2HG LYS 18 14.562 -0.774 4.700 136 HG3 LYS 18 1HG LYS 18 13.676 -2.298 4.584 137 HD2 LYS 18 2HD LYS 18 15.805 -3.560 4.717 138 HD3 LYS 18 1HD LYS 18 16.697 -2.051 4.754 139 HE2 LYS 18 2HE LYS 18 16.441 -2.960 7.024 140 HE3 LYS 18 1HE LYS 18 15.625 -1.419 6.878 141 HZ1 LYS 18 3HZ LYS 18 13.620 -2.358 7.156 142 HZ2 LYS 18 1HZ LYS 18 14.510 -3.577 7.871 143 HZ3 LYS 18 2HZ LYS 18 14.005 -3.795 6.288 144 H LYS 19 H LYS 19 13.475 -2.730 0.239 145 HA LYS 19 HA LYS 19 14.674 -0.909 -1.776 146 HB2 LYS 19 2HB LYS 19 15.172 -3.836 -1.280 147 HB3 LYS 19 1HB LYS 19 15.745 -2.966 -2.710 148 HG2 LYS 19 2HG LYS 19 16.966 -1.375 -1.267 149 HG3 LYS 19 1HG LYS 19 16.398 -2.234 0.163 150 HD2 LYS 19 2HD LYS 19 17.576 -4.265 -0.522 151 HD3 LYS 19 1HD LYS 19 18.080 -3.498 -2.025 152 HE2 LYS 19 2HE LYS 19 19.798 -3.542 -0.118 153 HE3 LYS 19 1HE LYS 19 19.547 -1.988 -0.915 154 HZ1 LYS 19 3HZ LYS 19 19.555 -2.065 1.618 155 HZ2 LYS 19 1HZ LYS 19 18.017 -2.755 1.505 156 HZ3 LYS 19 2HZ LYS 19 18.330 -1.199 0.874 157 H GLN 20 H GLN 20 14.247 -1.308 -3.975 158 HA GLN 20 HA GLN 20 11.532 -1.766 -4.649 159 HB2 GLN 20 2HB GLN 20 14.033 -1.696 -6.353 160 HB3 GLN 20 1HB GLN 20 12.417 -1.864 -7.018 161 HG2 GLN 20 2HG GLN 20 11.735 0.264 -6.043 162 HG3 GLN 20 1HG GLN 20 13.299 0.443 -5.249 163 HE21 GLN 20 1HE2 GLN 20 14.087 -0.947 -8.155 164 HE22 GLN 20 2HE2 GLN 20 14.319 0.444 -9.079 165 H GLY 21 H GLY 21 14.395 -3.829 -4.758 166 HA2 GLY 21 2HA GLY 21 13.269 -6.010 -6.126 167 HA3 GLY 21 1HA GLY 21 14.601 -6.145 -4.972 168 H GLU 22 H GLU 22 13.188 -5.094 -2.755 169 HA GLU 22 HA GLU 22 11.836 -7.391 -1.769 170 HB2 GLU 22 2HB GLU 22 12.022 -4.534 -0.769 171 HB3 GLU 22 1HB GLU 22 11.259 -5.857 0.105 172 HG2 GLU 22 2HG GLU 22 13.319 -7.086 0.217 173 HG3 GLU 22 1HG GLU 22 14.135 -5.926 -0.845 174 H ALA 23 H ALA 23 10.866 -4.243 -3.013 175 HA ALA 23 HA ALA 23 8.076 -4.472 -2.627 176 HB1 ALA 23 1HB ALA 23 9.201 -2.325 -3.250 177 HB2 ALA 23 2HB ALA 23 7.835 -2.720 -4.301 178 HB3 ALA 23 3HB ALA 23 9.469 -2.983 -4.866 179 H LEU 24 H LEU 24 10.090 -5.262 -5.423 180 HA LEU 24 HA LEU 24 8.002 -6.249 -7.063 181 HB2 LEU 24 2HB LEU 24 10.984 -6.660 -7.011 182 HB3 LEU 24 1HB LEU 24 9.978 -7.635 -8.059 183 HG LEU 24 HG LEU 24 10.995 -5.410 -8.987 184 HD11 LEU 24 1HD1 LEU 24 8.129 -6.275 -9.362 185 HD12 LEU 24 2HD1 LEU 24 9.541 -6.663 -10.348 186 HD13 LEU 24 3HD1 LEU 24 8.896 -5.026 -10.339 187 HD21 LEU 24 3HD2 LEU 24 10.282 -3.847 -7.274 188 HD22 LEU 24 1HD2 LEU 24 8.586 -4.343 -7.428 189 HD23 LEU 24 2HD2 LEU 24 9.391 -3.510 -8.742 190 H ALA 25 H ALA 25 10.120 -7.808 -4.710 191 HA ALA 25 HA ALA 25 9.313 -10.450 -5.134 192 HB1 ALA 25 1HB ALA 25 10.087 -10.919 -2.888 193 HB2 ALA 25 2HB ALA 25 10.097 -9.198 -2.497 194 HB3 ALA 25 3HB ALA 25 11.223 -9.842 -3.700 195 H VAL 26 H VAL 26 7.973 -8.055 -2.830 196 HA VAL 26 HA VAL 26 5.918 -9.827 -1.951 197 HB VAL 26 HB VAL 26 4.838 -7.819 -0.973 198 HG11 VAL 26 1HG1 VAL 26 6.661 -9.015 0.223 199 HG12 VAL 26 2HG1 VAL 26 6.615 -7.291 0.591 200 HG13 VAL 26 3HG1 VAL 26 7.835 -7.913 -0.519 201 HG21 VAL 26 3HG2 VAL 26 7.181 -6.318 -2.182 202 HG22 VAL 26 1HG2 VAL 26 5.910 -5.633 -1.185 203 HG23 VAL 26 2HG2 VAL 26 5.525 -6.215 -2.793 204 H GLN 27 H GLN 27 6.045 -7.359 -4.454 205 HA GLN 27 HA GLN 27 3.316 -7.392 -5.174 206 HB2 GLN 27 2HB GLN 27 5.809 -6.880 -6.799 207 HB3 GLN 27 1HB GLN 27 4.193 -6.682 -7.448 208 HG2 GLN 27 2HG GLN 27 3.647 -5.002 -5.819 209 HG3 GLN 27 1HG GLN 27 5.132 -5.252 -4.936 210 HE21 GLN 27 1HE2 GLN 27 4.323 -4.732 -8.413 211 HE22 GLN 27 2HE2 GLN 27 5.454 -3.499 -8.646 212 H GLU 28 H GLU 28 6.054 -9.317 -6.329 213 HA GLU 28 HA GLU 28 4.470 -10.836 -8.091 214 HB2 GLU 28 2HB GLU 28 7.249 -11.300 -7.032 215 HB3 GLU 28 1HB GLU 28 6.460 -12.412 -8.155 216 HG2 GLU 28 2HG GLU 28 6.874 -9.447 -8.629 217 HG3 GLU 28 1HG GLU 28 7.802 -10.733 -9.377 218 H ARG 29 H ARG 29 5.451 -11.344 -4.771 219 HA ARG 29 HA ARG 29 4.351 -13.953 -4.657 220 HB2 ARG 29 2HB ARG 29 5.953 -13.097 -2.938 221 HB3 ARG 29 1HB ARG 29 4.675 -12.045 -2.329 222 HG2 ARG 29 2HG ARG 29 3.508 -13.741 -1.367 223 HG3 ARG 29 1HG ARG 29 3.865 -14.882 -2.644 224 HD2 ARG 29 2HD ARG 29 4.992 -15.659 -0.662 225 HD3 ARG 29 1HD ARG 29 6.206 -15.070 -1.763 226 HE ARG 29 HE ARG 29 6.652 -13.311 -0.297 227 HH11 ARG 29 1HH2 ARG 29 3.663 -14.980 0.606 228 HH12 ARG 29 2HH2 ARG 29 3.700 -14.314 2.194 229 HH21 ARG 29 1HH1 ARG 29 6.595 -12.472 1.882 230 HH22 ARG 29 2HH1 ARG 29 5.272 -12.974 2.891 231 H LEU 30 H LEU 30 3.000 -10.759 -4.221 232 HA LEU 30 HA LEU 30 0.502 -11.447 -3.134 233 HB2 LEU 30 2HB LEU 30 1.710 -9.089 -4.023 234 HB3 LEU 30 1HB LEU 30 0.386 -9.311 -5.147 235 HG LEU 30 HG LEU 30 -0.460 -8.011 -3.315 236 HD11 LEU 30 1HD1 LEU 30 -2.343 -9.269 -2.705 237 HD12 LEU 30 2HD1 LEU 30 -1.461 -10.775 -2.633 238 HD13 LEU 30 3HD1 LEU 30 -1.831 -10.048 -4.194 239 HD21 LEU 30 3HD2 LEU 30 1.442 -9.162 -1.769 240 HD22 LEU 30 1HD2 LEU 30 0.041 -10.096 -1.242 241 HD23 LEU 30 2HD2 LEU 30 0.046 -8.341 -1.100 242 H LYS 31 H LYS 31 1.869 -11.780 -6.266 243 HA LYS 31 HA LYS 31 -0.475 -12.058 -7.838 244 HB2 LYS 31 2HB LYS 31 2.114 -13.558 -8.282 245 HB3 LYS 31 1HB LYS 31 0.915 -13.124 -9.481 246 HG2 LYS 31 2HG LYS 31 2.639 -11.157 -7.936 247 HG3 LYS 31 1HG LYS 31 2.823 -11.568 -9.640 248 HD2 LYS 31 2HD LYS 31 0.456 -10.679 -9.948 249 HD3 LYS 31 1HD LYS 31 0.524 -10.163 -8.294 250 HE2 LYS 31 2HE LYS 31 1.171 -8.291 -9.744 251 HE3 LYS 31 1HE LYS 31 2.494 -8.747 -8.693 252 HZ1 LYS 31 3HZ LYS 31 3.764 -9.413 -10.492 253 HZ2 LYS 31 1HZ LYS 31 2.678 -8.465 -11.340 254 HZ3 LYS 31 2HZ LYS 31 2.456 -10.126 -11.279 255 H ALA 32 H ALA 32 1.263 -14.182 -5.684 256 HA ALA 32 HA ALA 32 0.127 -16.664 -6.382 257 HB1 ALA 32 1HB ALA 32 2.068 -16.331 -4.789 258 HB2 ALA 32 2HB ALA 32 0.814 -17.421 -4.202 259 HB3 ALA 32 3HB ALA 32 0.897 -15.773 -3.596 260 H GLY 33 H GLY 33 -1.196 -13.884 -4.848 261 HA2 GLY 33 2HA GLY 33 -3.444 -13.481 -4.442 262 HA3 GLY 33 1HA GLY 33 -3.779 -15.200 -4.637 263 H GLU 34 H GLU 34 -1.161 -14.305 -2.559 264 HA GLU 34 HA GLU 34 -2.367 -15.491 -0.265 265 HB2 GLU 34 2HB GLU 34 0.029 -13.673 -0.538 266 HB3 GLU 34 1HB GLU 34 -0.450 -14.370 0.993 267 HG2 GLU 34 2HG GLU 34 -0.303 -16.668 -0.220 268 HG3 GLU 34 1HG GLU 34 0.531 -15.778 -1.479 269 H LYS 35 H LYS 35 -2.715 -14.259 1.786 270 HA LYS 35 HA LYS 35 -4.465 -12.053 1.365 271 HB2 LYS 35 2HB LYS 35 -4.571 -13.632 3.327 272 HB3 LYS 35 1HB LYS 35 -3.124 -12.844 3.972 273 HG2 LYS 35 2HG LYS 35 -4.291 -10.689 4.035 274 HG3 LYS 35 1HG LYS 35 -5.728 -11.410 3.317 275 HD2 LYS 35 2HD LYS 35 -5.900 -12.937 5.291 276 HD3 LYS 35 1HD LYS 35 -4.550 -12.092 6.041 277 HE2 LYS 35 2HE LYS 35 -7.184 -10.849 5.211 278 HE3 LYS 35 1HE LYS 35 -6.712 -11.211 6.870 279 HZ1 LYS 35 3HZ LYS 35 -5.058 -9.385 5.169 280 HZ2 LYS 35 1HZ LYS 35 -5.168 -9.437 6.878 281 HZ3 LYS 35 2HZ LYS 35 -6.437 -8.879 5.953 282 H PHE 36 H PHE 36 -3.953 -9.942 1.231 283 HA PHE 36 HA PHE 36 -1.346 -9.056 0.813 284 HB2 PHE 36 2HB PHE 36 -3.465 -7.843 0.155 285 HB3 PHE 36 1HB PHE 36 -3.670 -7.375 1.833 286 HD1 PHE 36 1HD PHE 36 -1.623 -6.967 -1.193 287 HD2 PHE 36 2HD PHE 36 -2.204 -5.729 2.876 288 HE1 PHE 36 1HE PHE 36 -0.098 -5.048 -1.564 289 HE2 PHE 36 2HE PHE 36 -0.680 -3.816 2.502 290 HZ PHE 36 HZ PHE 36 0.370 -3.480 0.270 291 H GLY 37 H GLY 37 -3.395 -9.025 3.611 292 HA2 GLY 37 2HA GLY 37 -1.754 -7.759 5.499 293 HA3 GLY 37 1HA GLY 37 -2.993 -8.994 5.844 294 H LYS 38 H LYS 38 -1.834 -11.135 4.448 295 HA LYS 38 HA LYS 38 -0.049 -12.123 6.405 296 HB2 LYS 38 2HB LYS 38 -1.431 -13.596 4.973 297 HB3 LYS 38 1HB LYS 38 -0.495 -13.097 3.560 298 HG2 LYS 38 2HG LYS 38 1.510 -14.088 4.478 299 HG3 LYS 38 1HG LYS 38 0.704 -14.484 5.998 300 HD2 LYS 38 2HD LYS 38 -0.871 -15.937 4.777 301 HD3 LYS 38 1HD LYS 38 -0.051 -15.573 3.261 302 HE2 LYS 38 2HE LYS 38 1.352 -16.823 5.652 303 HE3 LYS 38 1HE LYS 38 0.592 -17.769 4.379 304 HZ1 LYS 38 3HZ LYS 38 2.024 -16.272 2.829 305 HZ2 LYS 38 1HZ LYS 38 2.777 -17.564 3.653 306 HZ3 LYS 38 2HZ LYS 38 2.913 -16.008 4.283 307 H LEU 39 H LEU 39 0.427 -10.810 3.178 308 HA LEU 39 HA LEU 39 3.288 -10.887 3.208 309 HB2 LEU 39 2HB LEU 39 1.286 -9.237 1.650 310 HB3 LEU 39 1HB LEU 39 2.993 -8.907 1.577 311 HG LEU 39 HG LEU 39 1.930 -10.571 -0.176 312 HD11 LEU 39 1HD1 LEU 39 4.120 -11.804 -0.230 313 HD12 LEU 39 2HD1 LEU 39 4.566 -10.933 1.242 314 HD13 LEU 39 3HD1 LEU 39 4.222 -10.047 -0.244 315 HD21 LEU 39 3HD2 LEU 39 2.115 -12.920 0.511 316 HD22 LEU 39 1HD2 LEU 39 0.945 -12.105 1.526 317 HD23 LEU 39 2HD2 LEU 39 2.561 -12.463 2.143 318 H ALA 40 H ALA 40 0.876 -8.489 4.289 319 HA ALA 40 HA ALA 40 2.696 -6.471 4.806 320 HB1 ALA 40 1HB ALA 40 0.154 -6.976 6.328 321 HB2 ALA 40 2HB ALA 40 0.202 -6.222 4.730 322 HB3 ALA 40 3HB ALA 40 0.963 -5.425 6.106 323 H LYS 41 H LYS 41 1.459 -9.078 6.802 324 HA LYS 41 HA LYS 41 2.796 -8.456 9.256 325 HB2 LYS 41 2HB LYS 41 1.839 -11.073 8.081 326 HB3 LYS 41 1HB LYS 41 2.465 -10.912 9.705 327 HG2 LYS 41 2HG LYS 41 0.113 -9.269 8.719 328 HG3 LYS 41 1HG LYS 41 -0.074 -10.855 9.465 329 HD2 LYS 41 2HD LYS 41 1.247 -10.011 11.439 330 HD3 LYS 41 1HD LYS 41 1.160 -8.397 10.759 331 HE2 LYS 41 2HE LYS 41 -1.316 -10.080 11.246 332 HE3 LYS 41 1HE LYS 41 -0.659 -9.010 12.462 333 HZ1 LYS 41 3HZ LYS 41 -2.132 -7.627 11.402 334 HZ2 LYS 41 1HZ LYS 41 -1.909 -8.344 9.881 335 HZ3 LYS 41 2HZ LYS 41 -0.715 -7.304 10.503 336 H GLU 42 H GLU 42 3.488 -10.524 6.502 337 HA GLU 42 HA GLU 42 5.743 -11.723 7.563 338 HB2 GLU 42 2HB GLU 42 4.576 -11.547 4.848 339 HB3 GLU 42 1HB GLU 42 6.078 -12.394 5.041 340 HG2 GLU 42 2HG GLU 42 5.029 -13.811 6.799 341 HG3 GLU 42 1HG GLU 42 3.517 -12.957 6.582 342 H LEU 43 H LEU 43 5.579 -9.025 5.236 343 HA LEU 43 HA LEU 43 8.515 -8.963 5.393 344 HB2 LEU 43 2HB LEU 43 8.047 -9.627 3.243 345 HB3 LEU 43 1HB LEU 43 6.588 -8.665 3.126 346 HG LEU 43 HG LEU 43 8.483 -7.861 1.718 347 HD11 LEU 43 1HD1 LEU 43 7.492 -5.912 1.825 348 HD12 LEU 43 2HD1 LEU 43 8.208 -5.519 3.392 349 HD13 LEU 43 3HD1 LEU 43 6.687 -6.423 3.292 350 HD21 LEU 43 3HD2 LEU 43 10.540 -7.575 2.574 351 HD22 LEU 43 1HD2 LEU 43 9.992 -8.169 4.135 352 HD23 LEU 43 2HD2 LEU 43 9.953 -6.445 3.767 353 H SER 44 H SER 44 5.724 -6.777 5.322 354 HA SER 44 HA SER 44 6.873 -4.394 4.913 355 HB2 SER 44 2HB SER 44 4.978 -4.631 7.224 356 HB3 SER 44 1HB SER 44 5.098 -3.368 6.021 357 HG SER 44 HG SER 44 3.882 -5.802 6.008 358 H ILE 45 H ILE 45 8.270 -3.034 5.862 359 HA ILE 45 HA ILE 45 9.404 -3.706 8.471 360 HB ILE 45 HB ILE 45 10.905 -1.787 8.086 361 HG12 ILE 45 2HG1 ILE 45 9.528 -1.523 5.384 362 HG13 ILE 45 1HG1 ILE 45 9.273 -0.431 6.751 363 HG21 ILE 45 1HG2 ILE 45 11.879 -3.717 7.257 364 HG22 ILE 45 2HG2 ILE 45 11.883 -2.718 5.802 365 HG23 ILE 45 3HG2 ILE 45 10.655 -3.958 6.014 366 HD11 ILE 45 3HD1 ILE 45 10.922 0.716 5.655 367 HD12 ILE 45 1HD1 ILE 45 11.655 -0.736 4.984 368 HD13 ILE 45 2HD1 ILE 45 11.935 -0.301 6.670 369 H ASP 46 H ASP 46 6.926 -1.981 7.095 370 HA ASP 46 HA ASP 46 6.592 0.015 9.177 371 HB2 ASP 46 2HB ASP 46 5.813 0.446 6.859 372 HB3 ASP 46 1HB ASP 46 4.695 -0.907 6.989 373 H GLY 47 H GLY 47 6.493 -1.200 11.030 374 HA2 GLY 47 2HA GLY 47 5.167 -3.614 11.385 375 HA3 GLY 47 1HA GLY 47 5.605 -2.516 12.690 376 H GLY 48 H GLY 48 4.077 -0.318 12.127 377 HA2 GLY 48 2HA GLY 48 1.642 -0.941 13.319 378 HA3 GLY 48 1HA GLY 48 1.976 0.544 12.434 379 H SER 49 H SER 49 2.405 -0.353 9.900 380 HA SER 49 HA SER 49 -0.213 -0.939 8.953 381 HB2 SER 49 2HB SER 49 2.419 -1.207 7.508 382 HB3 SER 49 1HB SER 49 0.829 -1.136 6.767 383 HG SER 49 HG SER 49 2.159 0.834 8.333 384 H ALA 50 H ALA 50 2.585 -2.890 9.790 385 HA ALA 50 HA ALA 50 1.708 -5.305 8.591 386 HB1 ALA 50 1HB ALA 50 3.386 -5.193 11.083 387 HB2 ALA 50 2HB ALA 50 4.063 -4.746 9.511 388 HB3 ALA 50 3HB ALA 50 3.428 -6.369 9.771 389 H LYS 51 H LYS 51 1.148 -3.757 11.670 390 HA LYS 51 HA LYS 51 -0.110 -5.890 13.055 391 HB2 LYS 51 2HB LYS 51 -0.689 -2.909 13.214 392 HB3 LYS 51 1HB LYS 51 -1.201 -4.108 14.368 393 HG2 LYS 51 2HG LYS 51 1.717 -3.592 13.716 394 HG3 LYS 51 1HG LYS 51 0.835 -2.833 15.037 395 HD2 LYS 51 2HD LYS 51 0.367 -5.055 16.015 396 HD3 LYS 51 1HD LYS 51 1.240 -5.827 14.694 397 HE2 LYS 51 2HE LYS 51 2.442 -5.275 17.004 398 HE3 LYS 51 1HE LYS 51 3.320 -5.145 15.479 399 HZ1 LYS 51 3HZ LYS 51 2.734 -2.726 15.486 400 HZ2 LYS 51 1HZ LYS 51 3.640 -3.213 16.813 401 HZ3 LYS 51 2HZ LYS 51 1.984 -2.945 16.980 402 H ARG 52 H ARG 52 -1.259 -3.432 10.860 403 HA ARG 52 HA ARG 52 -4.009 -4.397 10.993 404 HB2 ARG 52 2HB ARG 52 -2.730 -1.965 9.770 405 HB3 ARG 52 1HB ARG 52 -4.440 -2.350 9.639 406 HG2 ARG 52 2HG ARG 52 -4.717 -2.329 12.044 407 HG3 ARG 52 1HG ARG 52 -2.992 -2.109 12.301 408 HD2 ARG 52 2HD ARG 52 -4.732 -0.153 10.786 409 HD3 ARG 52 1HD ARG 52 -4.373 0.002 12.484 410 HE ARG 52 HE ARG 52 -1.911 -0.070 11.704 411 HH11 ARG 52 1HH2 ARG 52 -4.565 1.334 9.860 412 HH12 ARG 52 2HH2 ARG 52 -3.569 2.518 9.123 413 HH21 ARG 52 1HH1 ARG 52 -0.632 1.517 10.692 414 HH22 ARG 52 2HH1 ARG 52 -1.310 2.614 9.577 415 H ASP 53 H ASP 53 -1.639 -5.667 9.466 416 HA ASP 53 HA ASP 53 -1.400 -6.948 7.597 417 HB2 ASP 53 2HB ASP 53 -4.338 -6.432 7.485 418 HB3 ASP 53 1HB ASP 53 -3.626 -7.308 6.220 419 H GLY 54 H GLY 54 -0.958 -4.077 7.502 420 HA2 GLY 54 2HA GLY 54 -0.289 -2.576 5.900 421 HA3 GLY 54 1HA GLY 54 -0.694 -3.766 4.672 422 H SER 55 H SER 55 -3.463 -4.085 5.672 423 HA SER 55 HA SER 55 -4.805 -2.271 4.032 424 HB2 SER 55 2HB SER 55 -5.762 -3.954 6.331 425 HB3 SER 55 1HB SER 55 -6.823 -3.006 5.312 426 HG SER 55 HG SER 55 -5.586 -4.140 3.517 427 H LEU 56 H LEU 56 -4.419 -0.270 4.201 428 HA LEU 56 HA LEU 56 -4.287 1.254 6.577 429 HB2 LEU 56 2HB LEU 56 -4.888 2.024 3.714 430 HB3 LEU 56 1HB LEU 56 -4.525 3.160 4.997 431 HG LEU 56 HG LEU 56 -2.653 0.961 4.054 432 HD11 LEU 56 1HD1 LEU 56 -1.348 3.236 3.518 433 HD12 LEU 56 2HD1 LEU 56 -3.010 3.797 3.279 434 HD13 LEU 56 3HD1 LEU 56 -2.405 2.422 2.371 435 HD21 LEU 56 3HD2 LEU 56 -2.721 2.661 6.434 436 HD22 LEU 56 1HD2 LEU 56 -1.236 2.891 5.510 437 HD23 LEU 56 2HD2 LEU 56 -1.691 1.284 6.072 438 H GLY 57 H GLY 57 -6.741 0.339 4.304 439 HA2 GLY 57 2HA GLY 57 -9.113 0.280 4.703 440 HA3 GLY 57 1HA GLY 57 -8.869 1.365 6.073 441 H TYR 58 H TYR 58 -10.238 2.989 5.357 442 HA TYR 58 HA TYR 58 -9.789 4.287 2.782 443 HB2 TYR 58 2HB TYR 58 -11.364 5.252 5.183 444 HB3 TYR 58 1HB TYR 58 -11.331 5.983 3.627 445 HD1 TYR 58 1HD TYR 58 -12.399 2.883 5.403 446 HD2 TYR 58 2HD TYR 58 -12.668 5.221 1.794 447 HE1 TYR 58 1HE TYR 58 -14.262 1.484 4.637 448 HE2 TYR 58 2HE TYR 58 -14.534 3.812 1.032 449 HH TYR 58 HH TYR 58 -16.372 2.276 2.523 450 H PHE 59 H PHE 59 -8.367 5.972 2.559 451 HA PHE 59 HA PHE 59 -7.687 7.578 4.899 452 HB2 PHE 59 2HB PHE 59 -5.264 7.507 4.402 453 HB3 PHE 59 1HB PHE 59 -5.896 5.949 4.908 454 HD1 PHE 59 1HD PHE 59 -4.728 7.937 1.996 455 HD2 PHE 59 2HD PHE 59 -6.006 4.084 3.403 456 HE1 PHE 59 1HE PHE 59 -3.920 6.897 -0.104 457 HE2 PHE 59 2HE PHE 59 -5.220 3.054 1.346 458 HZ PHE 59 HZ PHE 59 -4.162 4.447 -0.443 459 H GLY 60 H GLY 60 -6.960 9.651 4.431 460 HA2 GLY 60 2HA GLY 60 -7.820 10.549 1.783 461 HA3 GLY 60 1HA GLY 60 -7.647 11.567 3.207 462 H ARG 61 H ARG 61 -6.618 12.404 0.828 463 HA ARG 61 HA ARG 61 -3.836 11.730 0.603 464 HB2 ARG 61 2HB ARG 61 -5.502 13.840 -0.775 465 HB3 ARG 61 1HB ARG 61 -3.828 13.471 -1.179 466 HG2 ARG 61 2HG ARG 61 -4.497 11.097 -1.646 467 HG3 ARG 61 1HG ARG 61 -6.165 11.525 -1.315 468 HD2 ARG 61 2HD ARG 61 -5.960 11.663 -3.689 469 HD3 ARG 61 1HD ARG 61 -5.947 13.315 -3.116 470 HE ARG 61 HE ARG 61 -3.270 12.419 -3.204 471 HH11 ARG 61 1HH2 ARG 61 -5.931 13.134 -5.330 472 HH12 ARG 61 2HH2 ARG 61 -4.971 13.558 -6.672 473 HH21 ARG 61 1HH1 ARG 61 -1.950 12.942 -4.972 474 HH22 ARG 61 2HH1 ARG 61 -2.616 13.441 -6.454 475 H GLY 62 H GLY 62 -2.172 13.352 0.672 476 HA2 GLY 62 2HA GLY 62 -1.273 15.388 1.458 477 HA3 GLY 62 1HA GLY 62 -2.645 15.599 2.536 478 H LYS 63 H LYS 63 -2.879 13.279 3.761 479 HA LYS 63 HA LYS 63 -0.785 13.181 5.698 480 HB2 LYS 63 2HB LYS 63 -3.108 11.328 5.116 481 HB3 LYS 63 1HB LYS 63 -2.006 11.142 6.496 482 HG2 LYS 63 2HG LYS 63 -2.556 13.409 7.264 483 HG3 LYS 63 1HG LYS 63 -3.651 13.623 5.907 484 HD2 LYS 63 2HD LYS 63 -5.087 11.784 6.740 485 HD3 LYS 63 1HD LYS 63 -3.965 11.487 8.053 486 HE2 LYS 63 2HE LYS 63 -6.151 13.220 8.139 487 HE3 LYS 63 1HE LYS 63 -4.850 13.127 9.317 488 HZ1 LYS 63 3HZ LYS 63 -3.607 14.758 7.973 489 HZ2 LYS 63 1HZ LYS 63 -5.057 15.375 8.539 490 HZ3 LYS 63 2HZ LYS 63 -4.934 14.912 6.928 491 H MET 64 H MET 64 -1.623 11.350 2.861 492 HA MET 64 HA MET 64 0.601 9.469 3.191 493 HB2 MET 64 2HB MET 64 -1.204 9.745 0.794 494 HB3 MET 64 1HB MET 64 -0.309 8.326 1.330 495 HG2 MET 64 2HG MET 64 -2.679 9.585 2.746 496 HG3 MET 64 1HG MET 64 -2.659 8.050 1.901 497 HE1 MET 64 3HE MET 64 -2.012 5.597 4.178 498 HE2 MET 64 1HE MET 64 -0.602 5.850 3.144 499 HE3 MET 64 2HE MET 64 -2.230 6.146 2.529 500 H VAL 65 H VAL 65 2.322 9.374 1.599 501 HA VAL 65 HA VAL 65 3.086 11.979 0.666 502 HB VAL 65 HB VAL 65 5.101 10.873 -0.251 503 HG11 VAL 65 1HG1 VAL 65 5.337 11.517 1.995 504 HG12 VAL 65 2HG1 VAL 65 5.805 9.812 2.036 505 HG13 VAL 65 3HG1 VAL 65 4.200 10.301 2.561 506 HG21 VAL 65 3HG2 VAL 65 3.953 8.306 0.892 507 HG22 VAL 65 1HG2 VAL 65 5.433 8.501 -0.049 508 HG23 VAL 65 2HG2 VAL 65 3.878 8.715 -0.837 509 H LYS 66 H LYS 66 3.163 12.770 -1.380 510 HA LYS 66 HA LYS 66 1.043 12.379 -2.986 511 HB2 LYS 66 2HB LYS 66 3.791 13.397 -3.668 512 HB3 LYS 66 1HB LYS 66 2.541 13.307 -4.905 513 HG2 LYS 66 2HG LYS 66 2.086 14.680 -2.238 514 HG3 LYS 66 1HG LYS 66 2.718 15.519 -3.647 515 HD2 LYS 66 2HD LYS 66 0.740 15.417 -4.823 516 HD3 LYS 66 1HD LYS 66 0.223 13.906 -4.093 517 HE2 LYS 66 2HE LYS 66 0.378 16.464 -2.486 518 HE3 LYS 66 1HE LYS 66 -1.043 16.045 -3.426 519 HZ1 LYS 66 3HZ LYS 66 0.153 14.275 -1.351 520 HZ2 LYS 66 1HZ LYS 66 -1.260 13.974 -2.198 521 HZ3 LYS 66 2HZ LYS 66 -1.194 15.253 -1.121 522 HA PRO 67 HA PRO 67 3.327 9.307 -5.957 523 HB2 PRO 67 2HB PRO 67 5.222 7.736 -4.776 524 HB3 PRO 67 1HB PRO 67 5.596 9.224 -5.669 525 HG2 PRO 67 2HG PRO 67 5.335 8.833 -2.721 526 HG3 PRO 67 1HG PRO 67 6.561 9.734 -3.611 527 HD2 PRO 67 2HD PRO 67 4.603 11.087 -2.468 528 HD3 PRO 67 1HD PRO 67 5.135 11.545 -4.095 529 H PHE 68 H PHE 68 2.955 8.655 -2.540 530 HA PHE 68 HA PHE 68 2.056 5.943 -2.714 531 HB2 PHE 68 2HB PHE 68 2.810 7.007 -0.581 532 HB3 PHE 68 1HB PHE 68 1.325 7.978 -0.563 533 HD1 PHE 68 1HD PHE 68 -0.875 6.836 -0.302 534 HD2 PHE 68 2HD PHE 68 2.850 4.689 -0.050 535 HE1 PHE 68 1HE PHE 68 -2.037 4.930 0.767 536 HE2 PHE 68 2HE PHE 68 1.682 2.803 1.014 537 HZ PHE 68 HZ PHE 68 -0.757 2.914 1.421 538 H GLU 69 H GLU 69 0.443 9.071 -2.583 539 HA GLU 69 HA GLU 69 -2.245 8.170 -2.733 540 HB2 GLU 69 2HB GLU 69 -0.946 10.727 -3.694 541 HB3 GLU 69 1HB GLU 69 -2.672 10.466 -3.582 542 HG2 GLU 69 2HG GLU 69 -2.538 10.151 -1.176 543 HG3 GLU 69 1HG GLU 69 -0.780 10.228 -1.231 544 H ASP 70 H ASP 70 0.063 9.273 -5.154 545 HA ASP 70 HA ASP 70 -1.617 9.015 -7.377 546 HB2 ASP 70 2HB ASP 70 0.597 10.201 -7.349 547 HB3 ASP 70 1HB ASP 70 1.373 8.621 -7.390 548 H ALA 71 H ALA 71 0.590 6.768 -5.838 549 HA ALA 71 HA ALA 71 0.234 4.629 -7.664 550 HB1 ALA 71 1HB ALA 71 2.080 4.593 -6.200 551 HB2 ALA 71 2HB ALA 71 1.051 3.221 -5.752 552 HB3 ALA 71 3HB ALA 71 1.062 4.688 -4.765 553 H ALA 72 H ALA 72 -1.338 5.438 -4.587 554 HA ALA 72 HA ALA 72 -3.018 3.173 -4.433 555 HB1 ALA 72 1HB ALA 72 -2.513 4.760 -2.559 556 HB2 ALA 72 2HB ALA 72 -4.220 4.342 -2.739 557 HB3 ALA 72 3HB ALA 72 -3.633 5.903 -3.303 558 H PHE 73 H PHE 73 -3.662 6.386 -5.734 559 HA PHE 73 HA PHE 73 -6.353 5.894 -6.312 560 HB2 PHE 73 2HB PHE 73 -4.412 7.981 -7.173 561 HB3 PHE 73 1HB PHE 73 -5.913 7.831 -8.089 562 HD1 PHE 73 1HD PHE 73 -4.530 8.320 -4.650 563 HD2 PHE 73 2HD PHE 73 -8.026 8.512 -7.156 564 HE1 PHE 73 1HE PHE 73 -5.731 9.443 -2.865 565 HE2 PHE 73 2HE PHE 73 -9.242 9.655 -5.341 566 HZ PHE 73 HZ PHE 73 -8.113 10.131 -3.184 567 H ARG 74 H ARG 74 -3.544 5.005 -8.061 568 HA ARG 74 HA ARG 74 -4.823 4.496 -10.572 569 HB2 ARG 74 2HB ARG 74 -2.334 3.223 -9.412 570 HB3 ARG 74 1HB ARG 74 -3.052 2.869 -10.986 571 HG2 ARG 74 2HG ARG 74 -2.888 5.401 -11.455 572 HG3 ARG 74 1HG ARG 74 -1.803 5.472 -10.071 573 HD2 ARG 74 2HD ARG 74 -1.286 4.404 -12.794 574 HD3 ARG 74 1HD ARG 74 -0.171 5.048 -11.634 575 HE ARG 74 HE ARG 74 0.220 2.899 -10.804 576 HH11 ARG 74 1HH2 ARG 74 -2.436 2.968 -13.059 577 HH12 ARG 74 2HH2 ARG 74 -2.700 1.297 -13.117 578 HH21 ARG 74 1HH1 ARG 74 -0.095 0.566 -10.848 579 HH22 ARG 74 2HH1 ARG 74 -1.378 -0.083 -11.798 580 H LEU 75 H LEU 75 -4.431 2.622 -7.654 581 HA LEU 75 HA LEU 75 -5.223 0.157 -8.926 582 HB2 LEU 75 2HB LEU 75 -4.932 0.474 -5.968 583 HB3 LEU 75 1HB LEU 75 -4.609 -0.915 -6.976 584 HG LEU 75 HG LEU 75 -2.976 1.637 -6.939 585 HD11 LEU 75 1HD1 LEU 75 -1.401 -0.524 -6.325 586 HD12 LEU 75 2HD1 LEU 75 -2.874 -0.815 -5.421 587 HD13 LEU 75 3HD1 LEU 75 -1.994 0.699 -5.206 588 HD21 LEU 75 3HD2 LEU 75 -3.142 0.332 -9.218 589 HD22 LEU 75 1HD2 LEU 75 -2.269 -0.940 -8.351 590 HD23 LEU 75 2HD2 LEU 75 -1.553 0.643 -8.554 591 H GLN 76 H GLN 76 -7.258 2.411 -8.535 592 HA GLN 76 HA GLN 76 -9.159 1.696 -6.625 593 HB2 GLN 76 2HB GLN 76 -9.590 2.825 -9.412 594 HB3 GLN 76 1HB GLN 76 -10.818 2.732 -8.156 595 HG2 GLN 76 2HG GLN 76 -9.494 4.139 -6.652 596 HG3 GLN 76 1HG GLN 76 -8.175 4.146 -7.784 597 HE21 GLN 76 1HE2 GLN 76 -8.091 6.198 -8.653 598 HE22 GLN 76 2HE2 GLN 76 -9.413 7.066 -9.270 599 H VAL 77 H VAL 77 -8.448 0.363 -9.755 600 HA VAL 77 HA VAL 77 -10.652 -1.387 -9.962 601 HB VAL 77 HB VAL 77 -9.369 -0.785 -11.930 602 HG11 VAL 77 1HG1 VAL 77 -7.128 -2.131 -10.436 603 HG12 VAL 77 2HG1 VAL 77 -7.165 -0.472 -11.058 604 HG13 VAL 77 3HG1 VAL 77 -7.055 -1.832 -12.172 605 HG21 VAL 77 3HG2 VAL 77 -8.829 -3.728 -11.406 606 HG22 VAL 77 1HG2 VAL 77 -9.192 -2.946 -12.936 607 HG23 VAL 77 2HG2 VAL 77 -10.450 -3.117 -11.723 608 H GLY 78 H GLY 78 -7.655 -1.638 -8.134 609 HA2 GLY 78 2HA GLY 78 -7.903 -3.252 -6.181 610 HA3 GLY 78 1HA GLY 78 -8.402 -4.399 -7.412 611 H GLU 79 H GLU 79 -6.069 -2.558 -8.734 612 HA GLU 79 HA GLU 79 -4.228 -4.608 -9.102 613 HB2 GLU 79 2HB GLU 79 -3.975 -1.637 -9.201 614 HB3 GLU 79 1HB GLU 79 -2.635 -2.704 -9.553 615 HG2 GLU 79 2HG GLU 79 -3.954 -3.740 -11.370 616 HG3 GLU 79 1HG GLU 79 -5.314 -2.704 -11.009 617 H VAL 80 H VAL 80 -1.919 -4.364 -8.562 618 HA VAL 80 HA VAL 80 -1.387 -3.721 -5.733 619 HB VAL 80 HB VAL 80 0.011 -5.610 -7.668 620 HG11 VAL 80 1HG1 VAL 80 1.597 -6.044 -5.821 621 HG12 VAL 80 2HG1 VAL 80 0.849 -4.738 -4.896 622 HG13 VAL 80 3HG1 VAL 80 1.693 -4.380 -6.398 623 HG21 VAL 80 3HG2 VAL 80 -1.845 -6.728 -6.625 624 HG22 VAL 80 1HG2 VAL 80 -1.446 -6.030 -5.042 625 HG23 VAL 80 2HG2 VAL 80 -0.378 -7.226 -5.776 626 H SER 81 H SER 81 -0.011 -1.998 -5.493 627 HA SER 81 HA SER 81 0.390 -0.348 -7.690 628 HB2 SER 81 2HB SER 81 1.659 1.097 -6.206 629 HB3 SER 81 1HB SER 81 0.188 0.570 -5.434 630 HG SER 81 HG SER 81 2.861 -0.002 -4.982 631 H GLU 82 H GLU 82 2.364 0.610 -8.328 632 HA GLU 82 HA GLU 82 4.480 -1.297 -8.881 633 HB2 GLU 82 2HB GLU 82 4.402 1.683 -9.451 634 HB3 GLU 82 1HB GLU 82 5.414 0.462 -10.214 635 HG2 GLU 82 2HG GLU 82 3.720 0.767 -11.814 636 HG3 GLU 82 1HG GLU 82 3.236 -0.669 -10.918 637 HA PRO 83 HA PRO 83 6.787 -0.253 -5.280 638 HB2 PRO 83 2HB PRO 83 9.036 0.693 -7.010 639 HB3 PRO 83 1HB PRO 83 9.044 -0.472 -5.665 640 HG2 PRO 83 2HG PRO 83 9.192 -1.313 -8.163 641 HG3 PRO 83 1HG PRO 83 8.233 -2.196 -6.956 642 HD2 PRO 83 2HD PRO 83 7.225 -0.500 -9.218 643 HD3 PRO 83 1HD PRO 83 6.512 -1.910 -8.413 644 H VAL 84 H VAL 84 6.624 1.595 -4.032 645 HA VAL 84 HA VAL 84 6.737 4.217 -5.409 646 HB VAL 84 HB VAL 84 5.102 3.219 -3.085 647 HG11 VAL 84 1HG1 VAL 84 5.458 5.304 -2.221 648 HG12 VAL 84 2HG1 VAL 84 4.223 5.750 -3.388 649 HG13 VAL 84 3HG1 VAL 84 5.923 6.001 -3.774 650 HG21 VAL 84 3HG2 VAL 84 3.258 3.575 -4.444 651 HG22 VAL 84 1HG2 VAL 84 4.446 2.983 -5.607 652 HG23 VAL 84 2HG2 VAL 84 4.124 4.716 -5.490 653 H LYS 85 H LYS 85 8.335 5.511 -4.787 654 HA LYS 85 HA LYS 85 9.870 4.795 -2.427 655 HB2 LYS 85 2HB LYS 85 11.154 5.342 -4.456 656 HB3 LYS 85 1HB LYS 85 10.383 6.926 -4.513 657 HG2 LYS 85 2HG LYS 85 12.587 7.135 -3.509 658 HG3 LYS 85 1HG LYS 85 11.360 7.471 -2.294 659 HD2 LYS 85 2HD LYS 85 11.616 5.165 -1.363 660 HD3 LYS 85 1HD LYS 85 12.735 4.788 -2.653 661 HE2 LYS 85 2HE LYS 85 13.934 5.295 -0.617 662 HE3 LYS 85 1HE LYS 85 14.307 6.492 -1.850 663 HZ1 LYS 85 3HZ LYS 85 13.787 7.322 0.457 664 HZ2 LYS 85 1HZ LYS 85 12.170 6.974 0.211 665 HZ3 LYS 85 2HZ LYS 85 12.955 8.093 -0.775 666 H SER 86 H SER 86 9.912 5.969 -0.586 667 HA SER 86 HA SER 86 8.475 8.518 -0.488 668 HB2 SER 86 2HB SER 86 7.105 7.834 1.268 669 HB3 SER 86 1HB SER 86 7.070 6.451 0.208 670 HG SER 86 HG SER 86 7.874 5.364 1.821 671 H GLU 87 H GLU 87 8.797 9.372 1.805 672 HA GLU 87 HA GLU 87 11.537 9.718 2.438 673 HB2 GLU 87 2HB GLU 87 9.759 11.322 3.056 674 HB3 GLU 87 1HB GLU 87 9.034 10.129 4.123 675 HG2 GLU 87 2HG GLU 87 11.077 10.106 5.502 676 HG3 GLU 87 1HG GLU 87 11.824 11.269 4.420 677 H PHE 88 H PHE 88 8.947 7.635 3.566 678 HA PHE 88 HA PHE 88 10.339 6.352 5.691 679 HB2 PHE 88 2HB PHE 88 7.825 5.808 4.163 680 HB3 PHE 88 1HB PHE 88 8.487 4.554 5.183 681 HD1 PHE 88 2HD PHE 88 7.592 8.200 5.235 682 HD2 PHE 88 1HD PHE 88 8.049 4.571 7.505 683 HE1 PHE 88 2HE PHE 88 6.673 9.330 7.251 684 HE2 PHE 88 1HE PHE 88 7.134 5.703 9.498 685 HZ PHE 88 HZ PHE 88 6.446 8.085 9.368 686 H GLY 89 H GLY 89 9.875 5.503 2.281 687 HA2 GLY 89 2HA GLY 89 12.187 4.232 1.661 688 HA3 GLY 89 1HA GLY 89 11.331 3.003 2.591 689 H TYR 90 H TYR 90 10.728 1.540 1.027 690 HA TYR 90 HA TYR 90 9.296 2.637 -1.271 691 HB2 TYR 90 2HB TYR 90 11.049 0.301 -0.953 692 HB3 TYR 90 1HB TYR 90 9.618 0.032 -1.935 693 HD1 TYR 90 2HD TYR 90 9.129 1.549 -3.871 694 HD2 TYR 90 1HD TYR 90 12.877 1.659 -1.775 695 HE1 TYR 90 2HE TYR 90 10.144 2.750 -5.758 696 HE2 TYR 90 1HE TYR 90 13.897 2.863 -3.664 697 HH TYR 90 HH TYR 90 12.788 2.888 -6.598 698 H HIS 91 H HIS 91 7.220 2.215 -1.606 699 HA HIS 91 HA HIS 91 5.854 0.404 0.307 700 HB2 HIS 91 2HB HIS 91 4.687 2.784 -1.150 701 HB3 HIS 91 1HB HIS 91 3.858 1.741 -0.010 702 HD1 HIS 91 1HD HIS 91 4.012 2.359 2.400 703 HD2 HIS 91 2HD HIS 91 6.946 4.236 0.122 704 HE1 HIS 91 1HE HIS 91 5.158 4.010 3.941 705 H VAL 92 H VAL 92 4.454 -1.056 -0.404 706 HA VAL 92 HA VAL 92 3.765 -1.138 -3.270 707 HB VAL 92 HB VAL 92 4.275 -3.452 -1.366 708 HG11 VAL 92 1HG1 VAL 92 2.218 -3.848 -2.701 709 HG12 VAL 92 2HG1 VAL 92 3.523 -4.933 -3.155 710 HG13 VAL 92 3HG1 VAL 92 3.140 -3.547 -4.176 711 HG21 VAL 92 3HG2 VAL 92 5.887 -4.126 -3.172 712 HG22 VAL 92 1HG2 VAL 92 6.291 -2.567 -2.459 713 HG23 VAL 92 2HG2 VAL 92 5.505 -2.650 -4.036 714 H ILE 93 H ILE 93 1.615 -0.890 -3.551 715 HA ILE 93 HA ILE 93 -0.119 -1.067 -1.157 716 HB ILE 93 HB ILE 93 -0.282 0.772 -3.543 717 HG12 ILE 93 2HG1 ILE 93 0.278 1.461 -0.647 718 HG13 ILE 93 1HG1 ILE 93 1.561 1.261 -1.852 719 HG21 ILE 93 1HG2 ILE 93 -2.504 0.385 -2.806 720 HG22 ILE 93 2HG2 ILE 93 -2.029 1.907 -2.067 721 HG23 ILE 93 3HG2 ILE 93 -2.029 0.429 -1.108 722 HD11 ILE 93 3HD1 ILE 93 1.172 3.556 -2.000 723 HD12 ILE 93 1HD1 ILE 93 -0.548 3.388 -1.661 724 HD13 ILE 93 2HD1 ILE 93 0.086 2.954 -3.243 725 H LYS 94 H LYS 94 -1.887 -2.316 -1.308 726 HA LYS 94 HA LYS 94 -2.892 -2.898 -3.997 727 HB2 LYS 94 2HB LYS 94 -2.015 -4.987 -2.685 728 HB3 LYS 94 1HB LYS 94 -3.514 -4.800 -1.751 729 HG2 LYS 94 2HG LYS 94 -4.852 -4.893 -3.788 730 HG3 LYS 94 1HG LYS 94 -3.410 -4.932 -4.791 731 HD2 LYS 94 2HD LYS 94 -2.788 -7.107 -3.691 732 HD3 LYS 94 1HD LYS 94 -4.332 -7.079 -2.856 733 HE2 LYS 94 2HE LYS 94 -3.921 -7.120 -5.869 734 HE3 LYS 94 1HE LYS 94 -4.567 -8.420 -4.877 735 HZ1 LYS 94 3HZ LYS 94 -6.502 -7.500 -5.525 736 HZ2 LYS 94 1HZ LYS 94 -5.878 -5.982 -5.805 737 HZ3 LYS 94 2HZ LYS 94 -6.289 -6.463 -4.228 738 H ARG 95 H ARG 95 -5.106 -2.778 -4.235 739 HA ARG 95 HA ARG 95 -6.201 -0.791 -2.503 740 HB2 ARG 95 2HB ARG 95 -6.619 -1.373 -5.119 741 HB3 ARG 95 1HB ARG 95 -8.060 -2.088 -4.401 742 HG2 ARG 95 2HG ARG 95 -7.927 0.350 -3.072 743 HG3 ARG 95 1HG ARG 95 -7.294 0.748 -4.652 744 HD2 ARG 95 2HD ARG 95 -9.684 1.054 -4.719 745 HD3 ARG 95 1HD ARG 95 -9.245 -0.366 -5.686 746 HE ARG 95 HE ARG 95 -10.028 -0.820 -2.891 747 HH11 ARG 95 1HH2 ARG 95 -10.909 -0.872 -6.310 748 HH12 ARG 95 2HH2 ARG 95 -12.194 -1.946 -6.071 749 HH21 ARG 95 1HH1 ARG 95 -11.750 -2.209 -2.616 750 HH22 ARG 95 2HH1 ARG 95 -12.723 -2.712 -3.952 751 H LEU 96 H LEU 96 -7.934 -0.929 -1.137 752 HA LEU 96 HA LEU 96 -8.615 -3.617 -0.184 753 HB2 LEU 96 2HB LEU 96 -7.668 -2.154 1.536 754 HB3 LEU 96 1HB LEU 96 -8.840 -0.910 1.153 755 HG LEU 96 HG LEU 96 -10.675 -2.541 1.754 756 HD11 LEU 96 1HD1 LEU 96 -8.371 -4.314 1.970 757 HD12 LEU 96 2HD1 LEU 96 -10.087 -4.700 1.975 758 HD13 LEU 96 3HD1 LEU 96 -9.287 -4.277 3.470 759 HD21 LEU 96 3HD2 LEU 96 -10.158 -0.907 3.385 760 HD22 LEU 96 1HD2 LEU 96 -8.618 -1.670 3.795 761 HD23 LEU 96 2HD2 LEU 96 -10.136 -2.433 4.257 762 H GLY 97 H GLY 97 -10.746 -4.192 0.048 763 HA2 GLY 97 2HA GLY 97 -12.777 -2.384 -1.071 764 HA3 GLY 97 1HA GLY 97 -12.548 -3.995 -1.744 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -14.092 19.063 -6.114 2 HA2 GLY 1 2HA GLY 1 -14.544 16.233 -6.443 3 HA3 GLY 1 1HA GLY 1 -12.856 16.661 -6.276 4 HA PRO 2 HA PRO 2 -15.279 18.134 -2.262 5 HB2 PRO 2 2HB PRO 2 -17.248 15.907 -2.278 6 HB3 PRO 2 1HB PRO 2 -17.443 17.585 -1.736 7 HG2 PRO 2 2HG PRO 2 -18.474 16.855 -4.034 8 HG3 PRO 2 1HG PRO 2 -17.631 18.411 -3.905 9 HD2 PRO 2 2HD PRO 2 -16.660 15.853 -5.101 10 HD3 PRO 2 1HD PRO 2 -16.429 17.530 -5.683 11 H MET 3 H MET 3 -14.468 17.459 -0.340 12 HA MET 3 HA MET 3 -13.243 14.794 -0.176 13 HB2 MET 3 2HB MET 3 -12.728 17.328 1.391 14 HB3 MET 3 1HB MET 3 -11.918 15.800 1.695 15 HG2 MET 3 2HG MET 3 -11.832 17.395 -0.884 16 HG3 MET 3 1HG MET 3 -10.506 17.171 0.245 17 HE1 MET 3 3HE MET 3 -9.518 15.080 0.934 18 HE2 MET 3 1HE MET 3 -9.504 13.552 0.033 19 HE3 MET 3 2HE MET 3 -10.865 13.960 1.055 20 H GLY 4 H GLY 4 -13.340 13.696 1.873 21 HA2 GLY 4 2HA GLY 4 -14.442 12.953 3.806 22 HA3 GLY 4 1HA GLY 4 -15.464 14.387 3.738 23 H SER 5 H SER 5 -15.029 12.744 0.810 24 HA SER 5 HA SER 5 -17.835 12.008 0.737 25 HB2 SER 5 2HB SER 5 -15.771 11.761 -1.458 26 HB3 SER 5 1HB SER 5 -17.511 11.743 -1.623 27 HG SER 5 HG SER 5 -15.837 13.864 -1.577 28 H MET 6 H MET 6 -18.290 9.899 -0.482 29 HA MET 6 HA MET 6 -17.372 7.764 1.147 30 HB2 MET 6 2HB MET 6 -18.992 7.705 -1.415 31 HB3 MET 6 1HB MET 6 -18.669 6.311 -0.392 32 HG2 MET 6 2HG MET 6 -20.081 8.835 0.530 33 HG3 MET 6 1HG MET 6 -20.861 7.310 0.140 34 HE1 MET 6 3HE MET 6 -21.123 7.534 4.016 35 HE2 MET 6 1HE MET 6 -21.990 7.434 2.476 36 HE3 MET 6 2HE MET 6 -21.121 8.901 2.909 37 H ALA 7 H ALA 7 -16.580 8.794 -2.139 38 HA ALA 7 HA ALA 7 -14.558 6.630 -2.274 39 HB1 ALA 7 1HB ALA 7 -16.440 6.316 -3.852 40 HB2 ALA 7 2HB ALA 7 -14.898 6.559 -4.673 41 HB3 ALA 7 3HB ALA 7 -16.057 7.879 -4.577 42 H ASP 8 H ASP 8 -14.563 9.775 -1.722 43 HA ASP 8 HA ASP 8 -12.605 10.754 -3.567 44 HB2 ASP 8 2HB ASP 8 -12.217 12.517 -1.878 45 HB3 ASP 8 1HB ASP 8 -13.929 12.319 -2.213 46 H LYS 9 H LYS 9 -12.608 9.114 -0.561 47 HA LYS 9 HA LYS 9 -9.736 9.089 -0.220 48 HB2 LYS 9 2HB LYS 9 -12.007 7.817 1.278 49 HB3 LYS 9 1HB LYS 9 -10.315 7.639 1.740 50 HG2 LYS 9 2HG LYS 9 -10.050 10.011 2.035 51 HG3 LYS 9 1HG LYS 9 -11.651 10.358 1.409 52 HD2 LYS 9 2HD LYS 9 -11.239 8.581 3.827 53 HD3 LYS 9 1HD LYS 9 -11.329 10.325 3.973 54 HE2 LYS 9 2HE LYS 9 -13.497 8.500 2.888 55 HE3 LYS 9 1HE LYS 9 -13.502 9.527 4.324 56 HZ1 LYS 9 3HZ LYS 9 -13.614 10.381 1.465 57 HZ2 LYS 9 1HZ LYS 9 -13.205 11.469 2.696 58 HZ3 LYS 9 2HZ LYS 9 -14.701 10.629 2.651 59 H ILE 10 H ILE 10 -8.556 7.117 -0.057 60 HA ILE 10 HA ILE 10 -9.515 5.086 -1.967 61 HB ILE 10 HB ILE 10 -6.692 5.612 -1.039 62 HG12 ILE 10 2HG1 ILE 10 -7.574 7.528 -2.334 63 HG13 ILE 10 1HG1 ILE 10 -6.370 6.654 -3.264 64 HG21 ILE 10 1HG2 ILE 10 -6.214 4.250 -3.158 65 HG22 ILE 10 2HG2 ILE 10 -7.917 3.832 -3.163 66 HG23 ILE 10 3HG2 ILE 10 -6.904 3.360 -1.806 67 HD11 ILE 10 3HD1 ILE 10 -8.269 7.156 -4.675 68 HD12 ILE 10 1HD1 ILE 10 -9.375 6.356 -3.558 69 HD13 ILE 10 2HD1 ILE 10 -8.160 5.410 -4.434 70 H LYS 11 H LYS 11 -9.926 3.127 -1.238 71 HA LYS 11 HA LYS 11 -9.327 2.411 1.544 72 HB2 LYS 11 2HB LYS 11 -10.868 1.018 -0.658 73 HB3 LYS 11 1HB LYS 11 -10.687 0.412 0.984 74 HG2 LYS 11 2HG LYS 11 -11.866 2.340 1.906 75 HG3 LYS 11 1HG LYS 11 -11.932 3.123 0.335 76 HD2 LYS 11 2HD LYS 11 -14.082 2.092 0.737 77 HD3 LYS 11 1HD LYS 11 -13.261 1.168 -0.528 78 HE2 LYS 11 2HE LYS 11 -12.549 -0.512 1.176 79 HE3 LYS 11 1HE LYS 11 -13.378 0.406 2.425 80 HZ1 LYS 11 3HZ LYS 11 -14.899 -0.406 0.049 81 HZ2 LYS 11 1HZ LYS 11 -15.427 -0.222 1.637 82 HZ3 LYS 11 2HZ LYS 11 -14.525 -1.586 1.174 83 H CYS 12 H CYS 12 -7.159 1.819 1.620 84 HA CYS 12 HA CYS 12 -6.342 -0.354 -0.183 85 HB2 CYS 12 2HB CYS 12 -4.961 0.852 -1.422 86 HB3 CYS 12 1HB CYS 12 -5.582 2.308 -0.667 87 HG CYS 12 HG CYS 12 -3.448 2.541 0.569 88 H SER 13 H SER 13 -4.152 -1.120 0.241 89 HA SER 13 HA SER 13 -3.411 -1.078 3.077 90 HB2 SER 13 2HB SER 13 -3.273 -3.530 1.309 91 HB3 SER 13 1HB SER 13 -2.960 -3.448 3.033 92 HG SER 13 HG SER 13 -5.241 -3.852 1.711 93 H HIS 14 H HIS 14 -1.185 -1.096 3.450 94 HA HIS 14 HA HIS 14 0.497 -1.112 1.061 95 HB2 HIS 14 2HB HIS 14 1.389 0.934 1.364 96 HB3 HIS 14 1HB HIS 14 -0.192 1.256 2.077 97 HD2 HIS 14 2HD HIS 14 0.159 0.329 5.129 98 HE1 HIS 14 1HE HIS 14 3.864 2.350 5.152 99 HE2 HIS 14 2HE HIS 14 2.062 1.334 6.626 100 H ILE 15 H ILE 15 2.596 -1.666 1.356 101 HA ILE 15 HA ILE 15 3.382 -2.715 3.991 102 HB ILE 15 HB ILE 15 3.733 -4.071 1.305 103 HG12 ILE 15 2HG1 ILE 15 2.436 -5.104 3.820 104 HG13 ILE 15 1HG1 ILE 15 1.502 -4.279 2.597 105 HG21 ILE 15 1HG2 ILE 15 5.164 -4.401 3.901 106 HG22 ILE 15 2HG2 ILE 15 5.679 -4.814 2.260 107 HG23 ILE 15 3HG2 ILE 15 4.580 -5.871 3.133 108 HD11 ILE 15 3HD1 ILE 15 1.980 -6.964 2.634 109 HD12 ILE 15 1HD1 ILE 15 3.258 -6.423 1.546 110 HD13 ILE 15 2HD1 ILE 15 1.570 -6.058 1.188 111 H LEU 16 H LEU 16 5.305 -1.937 4.615 112 HA LEU 16 HA LEU 16 6.901 -0.495 2.649 113 HB2 LEU 16 2HB LEU 16 6.714 -0.346 5.629 114 HB3 LEU 16 1HB LEU 16 8.243 0.074 4.865 115 HG LEU 16 HG LEU 16 5.613 1.254 3.948 116 HD11 LEU 16 1HD1 LEU 16 5.743 2.202 6.106 117 HD12 LEU 16 2HD1 LEU 16 6.714 3.320 5.167 118 HD13 LEU 16 3HD1 LEU 16 7.508 2.105 6.152 119 HD21 LEU 16 3HD2 LEU 16 7.689 3.008 3.410 120 HD22 LEU 16 1HD2 LEU 16 6.985 1.871 2.271 121 HD23 LEU 16 2HD2 LEU 16 8.447 1.441 3.154 122 H VAL 17 H VAL 17 8.723 -1.255 1.899 123 HA VAL 17 HA VAL 17 10.062 -3.461 3.320 124 HB VAL 17 HB VAL 17 10.667 -4.417 1.121 125 HG11 VAL 17 1HG1 VAL 17 8.666 -5.591 0.865 126 HG12 VAL 17 2HG1 VAL 17 7.663 -4.174 1.146 127 HG13 VAL 17 3HG1 VAL 17 8.485 -4.956 2.496 128 HG21 VAL 17 3HG2 VAL 17 10.488 -2.448 -0.298 129 HG22 VAL 17 1HG2 VAL 17 8.769 -2.268 0.097 130 HG23 VAL 17 2HG2 VAL 17 9.328 -3.651 -0.848 131 H LYS 18 H LYS 18 12.295 -3.560 2.992 132 HA LYS 18 HA LYS 18 13.510 -1.025 3.179 133 HB2 LYS 18 2HB LYS 18 14.761 -3.747 2.820 134 HB3 LYS 18 1HB LYS 18 15.628 -2.285 3.254 135 HG2 LYS 18 2HG LYS 18 14.249 -2.010 5.266 136 HG3 LYS 18 1HG LYS 18 13.358 -3.479 4.870 137 HD2 LYS 18 2HD LYS 18 15.771 -4.561 4.803 138 HD3 LYS 18 1HD LYS 18 16.192 -3.169 5.799 139 HE2 LYS 18 2HE LYS 18 15.587 -5.028 7.237 140 HE3 LYS 18 1HE LYS 18 14.365 -3.771 7.388 141 HZ1 LYS 18 3HZ LYS 18 14.050 -6.431 6.528 142 HZ2 LYS 18 1HZ LYS 18 13.623 -5.454 5.250 143 HZ3 LYS 18 2HZ LYS 18 12.832 -5.289 6.721 144 H LYS 19 H LYS 19 13.405 -3.403 0.582 145 HA LYS 19 HA LYS 19 14.792 -1.436 -1.153 146 HB2 LYS 19 2HB LYS 19 14.921 -4.438 -1.238 147 HB3 LYS 19 1HB LYS 19 15.625 -3.345 -2.433 148 HG2 LYS 19 2HG LYS 19 16.985 -2.278 -0.658 149 HG3 LYS 19 1HG LYS 19 16.359 -3.427 0.521 150 HD2 LYS 19 2HD LYS 19 17.746 -4.333 -2.016 151 HD3 LYS 19 1HD LYS 19 18.648 -4.003 -0.550 152 HE2 LYS 19 2HE LYS 19 16.401 -6.029 -0.845 153 HE3 LYS 19 1HE LYS 19 18.110 -6.387 -0.706 154 HZ1 LYS 19 3HZ LYS 19 17.520 -4.727 1.430 155 HZ2 LYS 19 1HZ LYS 19 17.860 -6.379 1.474 156 HZ3 LYS 19 2HZ LYS 19 16.248 -5.867 1.355 157 H GLN 20 H GLN 20 14.281 -1.314 -3.300 158 HA GLN 20 HA GLN 20 11.540 -1.454 -3.970 159 HB2 GLN 20 2HB GLN 20 13.210 0.088 -5.049 160 HB3 GLN 20 1HB GLN 20 13.942 -1.302 -5.827 161 HG2 GLN 20 2HG GLN 20 11.957 -1.760 -7.074 162 HG3 GLN 20 1HG GLN 20 11.032 -0.531 -6.200 163 HE21 GLN 20 1HE2 GLN 20 10.715 1.140 -7.704 164 HE22 GLN 20 2HE2 GLN 20 11.930 1.800 -8.678 165 H GLY 21 H GLY 21 14.313 -3.581 -4.623 166 HA2 GLY 21 2HA GLY 21 12.996 -5.389 -6.314 167 HA3 GLY 21 1HA GLY 21 14.424 -5.765 -5.350 168 H GLU 22 H GLU 22 13.188 -5.157 -2.826 169 HA GLU 22 HA GLU 22 11.916 -7.636 -2.202 170 HB2 GLU 22 2HB GLU 22 12.032 -4.998 -0.694 171 HB3 GLU 22 1HB GLU 22 11.360 -6.498 -0.086 172 HG2 GLU 22 2HG GLU 22 13.463 -7.640 -0.226 173 HG3 GLU 22 1HG GLU 22 14.218 -6.305 -1.076 174 H ALA 23 H ALA 23 10.842 -4.346 -2.803 175 HA ALA 23 HA ALA 23 8.089 -4.698 -2.356 176 HB1 ALA 23 1HB ALA 23 7.768 -2.636 -3.453 177 HB2 ALA 23 2HB ALA 23 9.151 -2.875 -4.499 178 HB3 ALA 23 3HB ALA 23 9.397 -2.499 -2.792 179 H LEU 24 H LEU 24 10.020 -4.971 -5.306 180 HA LEU 24 HA LEU 24 7.907 -5.728 -7.020 181 HB2 LEU 24 2HB LEU 24 10.889 -6.077 -7.137 182 HB3 LEU 24 1HB LEU 24 9.870 -6.914 -8.300 183 HG LEU 24 HG LEU 24 10.628 -4.758 -9.194 184 HD11 LEU 24 1HD1 LEU 24 7.747 -4.228 -8.653 185 HD12 LEU 24 2HD1 LEU 24 8.173 -5.742 -9.467 186 HD13 LEU 24 3HD1 LEU 24 8.653 -4.201 -10.160 187 HD21 LEU 24 3HD2 LEU 24 9.756 -2.666 -8.187 188 HD22 LEU 24 1HD2 LEU 24 10.933 -3.504 -7.196 189 HD23 LEU 24 2HD2 LEU 24 9.199 -3.571 -6.784 190 H ALA 25 H ALA 25 10.103 -7.603 -5.011 191 HA ALA 25 HA ALA 25 9.371 -10.155 -5.856 192 HB1 ALA 25 1HB ALA 25 11.251 -9.547 -4.245 193 HB2 ALA 25 2HB ALA 25 10.324 -10.988 -3.834 194 HB3 ALA 25 3HB ALA 25 10.024 -9.479 -2.984 195 H VAL 26 H VAL 26 8.004 -8.239 -3.163 196 HA VAL 26 HA VAL 26 5.974 -10.174 -2.690 197 HB VAL 26 HB VAL 26 4.953 -8.571 -1.181 198 HG11 VAL 26 1HG1 VAL 26 7.190 -9.833 -0.690 199 HG12 VAL 26 2HG1 VAL 26 6.655 -8.554 0.388 200 HG13 VAL 26 3HG1 VAL 26 7.919 -8.226 -0.799 201 HG21 VAL 26 3HG2 VAL 26 5.318 -6.545 -2.594 202 HG22 VAL 26 1HG2 VAL 26 7.038 -6.607 -2.192 203 HG23 VAL 26 2HG2 VAL 26 5.843 -6.319 -0.930 204 H GLN 27 H GLN 27 6.109 -7.211 -4.578 205 HA GLN 27 HA GLN 27 3.384 -6.976 -5.208 206 HB2 GLN 27 2HB GLN 27 5.873 -6.319 -6.783 207 HB3 GLN 27 1HB GLN 27 4.258 -5.950 -7.383 208 HG2 GLN 27 2HG GLN 27 3.799 -4.499 -5.587 209 HG3 GLN 27 1HG GLN 27 5.180 -5.014 -4.644 210 HE21 GLN 27 1HE2 GLN 27 4.082 -2.611 -6.805 211 HE22 GLN 27 2HE2 GLN 27 5.615 -2.027 -7.243 212 H GLU 28 H GLU 28 5.944 -8.846 -6.773 213 HA GLU 28 HA GLU 28 4.104 -10.062 -8.564 214 HB2 GLU 28 2HB GLU 28 6.980 -10.707 -7.961 215 HB3 GLU 28 1HB GLU 28 6.001 -11.594 -9.142 216 HG2 GLU 28 2HG GLU 28 6.481 -8.603 -9.164 217 HG3 GLU 28 1HG GLU 28 7.212 -9.760 -10.258 218 H ARG 29 H ARG 29 5.369 -10.908 -5.454 219 HA ARG 29 HA ARG 29 4.426 -13.571 -5.367 220 HB2 ARG 29 2HB ARG 29 5.974 -12.603 -3.663 221 HB3 ARG 29 1HB ARG 29 4.631 -11.621 -3.070 222 HG2 ARG 29 2HG ARG 29 3.329 -13.637 -2.565 223 HG3 ARG 29 1HG ARG 29 4.629 -14.650 -3.175 224 HD2 ARG 29 2HD ARG 29 6.144 -13.834 -1.455 225 HD3 ARG 29 1HD ARG 29 4.911 -12.706 -0.877 226 HE ARG 29 HE ARG 29 4.001 -15.424 -0.911 227 HH11 ARG 29 1HH2 ARG 29 6.030 -13.168 0.799 228 HH12 ARG 29 2HH2 ARG 29 5.686 -13.825 2.348 229 HH21 ARG 29 1HH1 ARG 29 3.525 -16.270 1.161 230 HH22 ARG 29 2HH1 ARG 29 4.262 -15.584 2.576 231 H LEU 30 H LEU 30 2.866 -10.481 -4.787 232 HA LEU 30 HA LEU 30 0.420 -11.445 -3.740 233 HB2 LEU 30 2HB LEU 30 1.367 -8.930 -5.024 234 HB3 LEU 30 1HB LEU 30 -0.356 -9.172 -5.036 235 HG LEU 30 HG LEU 30 0.776 -7.924 -3.019 236 HD11 LEU 30 1HD1 LEU 30 -0.982 -8.773 -1.518 237 HD12 LEU 30 2HD1 LEU 30 -1.246 -10.131 -2.599 238 HD13 LEU 30 3HD1 LEU 30 -1.599 -8.488 -3.144 239 HD21 LEU 30 3HD2 LEU 30 2.339 -10.037 -2.661 240 HD22 LEU 30 1HD2 LEU 30 0.928 -10.700 -1.823 241 HD23 LEU 30 2HD2 LEU 30 1.654 -9.202 -1.280 242 H LYS 31 H LYS 31 1.703 -11.131 -6.928 243 HA LYS 31 HA LYS 31 -0.686 -11.557 -8.420 244 HB2 LYS 31 2HB LYS 31 2.066 -12.499 -9.260 245 HB3 LYS 31 1HB LYS 31 0.735 -11.995 -10.275 246 HG2 LYS 31 2HG LYS 31 2.294 -10.180 -8.420 247 HG3 LYS 31 1HG LYS 31 2.429 -10.221 -10.177 248 HD2 LYS 31 2HD LYS 31 0.005 -9.533 -10.267 249 HD3 LYS 31 1HD LYS 31 0.017 -9.440 -8.528 250 HE2 LYS 31 2HE LYS 31 0.436 -7.200 -9.444 251 HE3 LYS 31 1HE LYS 31 1.823 -7.756 -8.544 252 HZ1 LYS 31 3HZ LYS 31 1.667 -8.225 -11.459 253 HZ2 LYS 31 1HZ LYS 31 3.063 -8.101 -10.510 254 HZ3 LYS 31 2HZ LYS 31 2.148 -6.732 -10.842 255 H ALA 32 H ALA 32 1.619 -13.629 -6.770 256 HA ALA 32 HA ALA 32 0.870 -16.112 -7.835 257 HB1 ALA 32 1HB ALA 32 2.873 -15.509 -6.302 258 HB2 ALA 32 2HB ALA 32 2.093 -17.080 -6.100 259 HB3 ALA 32 3HB ALA 32 1.737 -15.775 -4.978 260 H GLY 33 H GLY 33 -0.651 -13.997 -5.587 261 HA2 GLY 33 2HA GLY 33 -3.018 -14.202 -5.216 262 HA3 GLY 33 1HA GLY 33 -2.853 -15.951 -5.223 263 H GLU 34 H GLU 34 -0.243 -14.852 -3.539 264 HA GLU 34 HA GLU 34 -1.342 -15.608 -1.015 265 HB2 GLU 34 2HB GLU 34 1.254 -14.171 -1.616 266 HB3 GLU 34 1HB GLU 34 0.821 -14.893 -0.070 267 HG2 GLU 34 2HG GLU 34 0.439 -17.084 -1.557 268 HG3 GLU 34 1HG GLU 34 1.452 -16.227 -2.673 269 H LYS 35 H LYS 35 -1.819 -14.317 0.760 270 HA LYS 35 HA LYS 35 -3.132 -11.954 0.015 271 HB2 LYS 35 2HB LYS 35 -2.693 -13.185 2.713 272 HB3 LYS 35 1HB LYS 35 -3.629 -11.709 2.467 273 HG2 LYS 35 2HG LYS 35 -5.052 -12.825 0.871 274 HG3 LYS 35 1HG LYS 35 -4.158 -14.334 1.064 275 HD2 LYS 35 2HD LYS 35 -4.797 -14.390 3.474 276 HD3 LYS 35 1HD LYS 35 -5.690 -12.889 3.261 277 HE2 LYS 35 2HE LYS 35 -7.187 -14.846 3.151 278 HE3 LYS 35 1HE LYS 35 -7.182 -13.952 1.633 279 HZ1 LYS 35 3HZ LYS 35 -5.854 -15.610 0.593 280 HZ2 LYS 35 1HZ LYS 35 -6.925 -16.493 1.550 281 HZ3 LYS 35 2HZ LYS 35 -5.356 -16.246 2.069 282 H PHE 36 H PHE 36 -2.849 -9.951 0.338 283 HA PHE 36 HA PHE 36 -0.312 -8.748 0.416 284 HB2 PHE 36 2HB PHE 36 -2.557 -7.845 -0.461 285 HB3 PHE 36 1HB PHE 36 -2.957 -7.538 1.192 286 HD1 PHE 36 1HD PHE 36 -0.592 -6.597 -1.489 287 HD2 PHE 36 2HD PHE 36 -1.970 -5.786 2.502 288 HE1 PHE 36 1HE PHE 36 0.648 -4.456 -1.494 289 HE2 PHE 36 2HE PHE 36 -0.717 -3.647 2.490 290 HZ PHE 36 HZ PHE 36 0.586 -2.990 0.489 291 H GLY 37 H GLY 37 -2.863 -9.161 2.836 292 HA2 GLY 37 2HA GLY 37 -1.544 -7.896 4.954 293 HA3 GLY 37 1HA GLY 37 -2.855 -9.072 5.120 294 H LYS 38 H LYS 38 -1.431 -11.209 3.748 295 HA LYS 38 HA LYS 38 -0.121 -12.402 5.948 296 HB2 LYS 38 2HB LYS 38 -1.081 -13.642 3.976 297 HB3 LYS 38 1HB LYS 38 0.280 -13.082 3.004 298 HG2 LYS 38 2HG LYS 38 1.837 -14.172 4.614 299 HG3 LYS 38 1HG LYS 38 0.451 -14.797 5.505 300 HD2 LYS 38 2HD LYS 38 -0.328 -15.950 3.406 301 HD3 LYS 38 1HD LYS 38 1.154 -15.430 2.614 302 HE2 LYS 38 2HE LYS 38 0.739 -17.525 4.695 303 HE3 LYS 38 1HE LYS 38 1.811 -17.527 3.307 304 HZ1 LYS 38 3HZ LYS 38 3.204 -15.775 4.591 305 HZ2 LYS 38 1HZ LYS 38 3.159 -17.334 5.238 306 HZ3 LYS 38 2HZ LYS 38 2.211 -16.143 5.902 307 H LEU 39 H LEU 39 1.066 -10.878 2.986 308 HA LEU 39 HA LEU 39 3.825 -10.954 3.589 309 HB2 LEU 39 2HB LEU 39 2.126 -9.333 1.721 310 HB3 LEU 39 1HB LEU 39 3.771 -8.827 2.021 311 HG LEU 39 HG LEU 39 3.525 -10.376 0.051 312 HD11 LEU 39 1HD1 LEU 39 5.588 -10.038 1.620 313 HD12 LEU 39 2HD1 LEU 39 5.607 -11.325 0.429 314 HD13 LEU 39 3HD1 LEU 39 5.251 -11.688 2.127 315 HD21 LEU 39 3HD2 LEU 39 1.815 -11.877 1.333 316 HD22 LEU 39 1HD2 LEU 39 3.232 -12.587 2.108 317 HD23 LEU 39 2HD2 LEU 39 3.030 -12.685 0.362 318 H ALA 40 H ALA 40 1.282 -8.618 4.256 319 HA ALA 40 HA ALA 40 2.847 -6.570 5.182 320 HB1 ALA 40 1HB ALA 40 0.911 -5.763 6.399 321 HB2 ALA 40 2HB ALA 40 0.145 -7.352 6.273 322 HB3 ALA 40 3HB ALA 40 0.412 -6.379 4.823 323 H LYS 41 H LYS 41 1.472 -9.326 6.837 324 HA LYS 41 HA LYS 41 2.637 -8.828 9.408 325 HB2 LYS 41 2HB LYS 41 1.581 -11.370 8.148 326 HB3 LYS 41 1HB LYS 41 2.171 -11.284 9.801 327 HG2 LYS 41 2HG LYS 41 -0.091 -9.573 8.702 328 HG3 LYS 41 1HG LYS 41 -0.315 -11.033 9.658 329 HD2 LYS 41 2HD LYS 41 1.188 -9.899 11.433 330 HD3 LYS 41 1HD LYS 41 0.911 -8.402 10.560 331 HE2 LYS 41 2HE LYS 41 -1.527 -10.023 11.174 332 HE3 LYS 41 1HE LYS 41 -0.715 -9.301 12.549 333 HZ1 LYS 41 3HZ LYS 41 -0.725 -7.186 11.018 334 HZ2 LYS 41 1HZ LYS 41 -2.153 -7.644 11.862 335 HZ3 LYS 41 2HZ LYS 41 -1.967 -8.093 10.250 336 H GLU 42 H GLU 42 3.650 -10.601 6.528 337 HA GLU 42 HA GLU 42 5.795 -11.917 7.779 338 HB2 GLU 42 2HB GLU 42 5.264 -11.331 4.901 339 HB3 GLU 42 1HB GLU 42 6.650 -12.234 5.401 340 HG2 GLU 42 2HG GLU 42 5.135 -13.876 6.543 341 HG3 GLU 42 1HG GLU 42 3.751 -12.979 5.887 342 H LEU 43 H LEU 43 5.995 -9.054 5.578 343 HA LEU 43 HA LEU 43 8.716 -8.735 6.706 344 HB2 LEU 43 2HB LEU 43 9.487 -7.937 4.473 345 HB3 LEU 43 1HB LEU 43 9.084 -9.639 4.595 346 HG LEU 43 HG LEU 43 7.045 -9.367 3.377 347 HD11 LEU 43 1HD1 LEU 43 5.974 -7.455 4.267 348 HD12 LEU 43 2HD1 LEU 43 6.378 -7.021 2.622 349 HD13 LEU 43 3HD1 LEU 43 7.369 -6.408 3.932 350 HD21 LEU 43 3HD2 LEU 43 8.417 -9.295 1.581 351 HD22 LEU 43 1HD2 LEU 43 9.480 -8.091 2.318 352 HD23 LEU 43 2HD2 LEU 43 8.009 -7.570 1.531 353 H SER 44 H SER 44 5.894 -6.843 6.142 354 HA SER 44 HA SER 44 6.899 -4.468 5.434 355 HB2 SER 44 2HB SER 44 4.963 -4.482 7.727 356 HB3 SER 44 1HB SER 44 5.049 -3.484 6.271 357 HG SER 44 HG SER 44 4.033 -6.028 6.679 358 H ILE 45 H ILE 45 8.362 -3.054 6.204 359 HA ILE 45 HA ILE 45 9.512 -3.453 8.834 360 HB ILE 45 HB ILE 45 10.943 -1.517 8.287 361 HG12 ILE 45 2HG1 ILE 45 9.461 -1.479 5.634 362 HG13 ILE 45 1HG1 ILE 45 9.260 -0.265 6.898 363 HG21 ILE 45 1HG2 ILE 45 12.218 -2.567 6.553 364 HG22 ILE 45 2HG2 ILE 45 10.801 -3.422 5.935 365 HG23 ILE 45 3HG2 ILE 45 11.481 -3.850 7.513 366 HD11 ILE 45 3HD1 ILE 45 11.979 -0.273 6.642 367 HD12 ILE 45 1HD1 ILE 45 10.911 0.810 5.741 368 HD13 ILE 45 2HD1 ILE 45 11.493 -0.693 5.014 369 H ASP 46 H ASP 46 6.891 -1.885 7.552 370 HA ASP 46 HA ASP 46 6.624 0.080 9.713 371 HB2 ASP 46 2HB ASP 46 5.827 0.658 7.437 372 HB3 ASP 46 1HB ASP 46 4.697 -0.686 7.487 373 H GLY 47 H GLY 47 6.539 -1.249 11.507 374 HA2 GLY 47 2HA GLY 47 5.053 -3.629 11.732 375 HA3 GLY 47 1HA GLY 47 5.612 -2.643 13.075 376 H GLY 48 H GLY 48 4.301 -0.265 12.523 377 HA2 GLY 48 2HA GLY 48 1.828 -0.647 13.753 378 HA3 GLY 48 1HA GLY 48 2.259 0.796 12.836 379 H SER 49 H SER 49 2.592 -0.171 10.323 380 HA SER 49 HA SER 49 -0.096 -0.582 9.414 381 HB2 SER 49 2HB SER 49 2.581 -0.757 8.013 382 HB3 SER 49 1HB SER 49 1.064 -1.056 7.207 383 HG SER 49 HG SER 49 2.148 1.304 8.228 384 H ALA 50 H ALA 50 2.559 -2.697 10.220 385 HA ALA 50 HA ALA 50 1.554 -5.051 8.993 386 HB1 ALA 50 1HB ALA 50 3.196 -6.225 10.208 387 HB2 ALA 50 2HB ALA 50 3.196 -5.056 11.511 388 HB3 ALA 50 3HB ALA 50 3.926 -4.639 9.957 389 H LYS 51 H LYS 51 0.855 -3.394 11.961 390 HA LYS 51 HA LYS 51 -0.445 -5.477 13.378 391 HB2 LYS 51 2HB LYS 51 -1.047 -2.494 13.406 392 HB3 LYS 51 1HB LYS 51 -1.613 -3.664 14.570 393 HG2 LYS 51 2HG LYS 51 1.327 -3.074 14.059 394 HG3 LYS 51 1HG LYS 51 0.374 -2.422 15.385 395 HD2 LYS 51 2HD LYS 51 -0.080 -4.765 16.175 396 HD3 LYS 51 1HD LYS 51 0.947 -5.362 14.892 397 HE2 LYS 51 2HE LYS 51 2.649 -5.186 16.340 398 HE3 LYS 51 1HE LYS 51 2.609 -3.467 16.028 399 HZ1 LYS 51 3HZ LYS 51 0.915 -3.324 17.885 400 HZ2 LYS 51 1HZ LYS 51 2.476 -3.732 18.344 401 HZ3 LYS 51 2HZ LYS 51 1.314 -4.927 18.265 402 H ARG 52 H ARG 52 -1.491 -3.167 10.979 403 HA ARG 52 HA ARG 52 -4.175 -4.352 10.895 404 HB2 ARG 52 2HB ARG 52 -3.049 -1.830 9.683 405 HB3 ARG 52 1HB ARG 52 -4.648 -2.445 9.344 406 HG2 ARG 52 2HG ARG 52 -5.220 -2.346 11.770 407 HG3 ARG 52 1HG ARG 52 -3.612 -1.715 12.110 408 HD2 ARG 52 2HD ARG 52 -5.255 0.106 11.956 409 HD3 ARG 52 1HD ARG 52 -4.045 0.238 10.674 410 HE ARG 52 HE ARG 52 -6.244 -1.311 9.781 411 HH11 ARG 52 1HH2 ARG 52 -5.431 1.981 10.622 412 HH12 ARG 52 2HH2 ARG 52 -6.503 2.689 9.500 413 HH21 ARG 52 1HH1 ARG 52 -7.704 -0.381 8.279 414 HH22 ARG 52 2HH1 ARG 52 -7.823 1.312 8.138 415 H ASP 53 H ASP 53 -1.586 -5.511 9.792 416 HA ASP 53 HA ASP 53 -0.964 -6.792 7.991 417 HB2 ASP 53 2HB ASP 53 -3.822 -6.534 7.030 418 HB3 ASP 53 1HB ASP 53 -2.650 -7.738 6.621 419 H GLY 54 H GLY 54 -0.846 -3.861 7.870 420 HA2 GLY 54 2HA GLY 54 -0.126 -2.347 6.293 421 HA3 GLY 54 1HA GLY 54 -0.345 -3.576 5.059 422 H SER 55 H SER 55 -3.227 -3.857 6.342 423 HA SER 55 HA SER 55 -4.437 -2.209 4.354 424 HB2 SER 55 2HB SER 55 -5.587 -3.951 6.519 425 HB3 SER 55 1HB SER 55 -6.584 -2.924 5.519 426 HG SER 55 HG SER 55 -5.359 -3.934 3.690 427 H LEU 56 H LEU 56 -3.889 -0.207 4.644 428 HA LEU 56 HA LEU 56 -4.151 1.342 6.970 429 HB2 LEU 56 2HB LEU 56 -4.187 2.025 4.037 430 HB3 LEU 56 1HB LEU 56 -4.114 3.248 5.273 431 HG LEU 56 HG LEU 56 -2.083 1.013 4.889 432 HD11 LEU 56 1HD1 LEU 56 -2.299 3.268 3.358 433 HD12 LEU 56 2HD1 LEU 56 -0.796 2.415 3.698 434 HD13 LEU 56 3HD1 LEU 56 -1.237 3.814 4.658 435 HD21 LEU 56 3HD2 LEU 56 -1.975 1.494 7.195 436 HD22 LEU 56 1HD2 LEU 56 -2.388 3.192 6.966 437 HD23 LEU 56 2HD2 LEU 56 -0.786 2.600 6.536 438 H GLY 57 H GLY 57 -6.286 0.564 4.294 439 HA2 GLY 57 2HA GLY 57 -8.654 0.406 4.505 440 HA3 GLY 57 1HA GLY 57 -8.570 1.467 5.896 441 H TYR 58 H TYR 58 -9.982 2.981 5.177 442 HA TYR 58 HA TYR 58 -9.593 4.216 2.593 443 HB2 TYR 58 2HB TYR 58 -11.626 5.319 2.910 444 HB3 TYR 58 1HB TYR 58 -11.883 3.765 3.687 445 HD1 TYR 58 2HD TYR 58 -10.676 3.998 6.356 446 HD2 TYR 58 1HD TYR 58 -12.770 6.978 4.060 447 HE1 TYR 58 2HE TYR 58 -11.269 5.172 8.421 448 HE2 TYR 58 1HE TYR 58 -13.363 8.155 6.157 449 HH TYR 58 HH TYR 58 -12.120 8.171 8.653 450 H PHE 59 H PHE 59 -8.501 6.032 2.179 451 HA PHE 59 HA PHE 59 -7.966 7.909 4.348 452 HB2 PHE 59 2HB PHE 59 -5.559 8.019 3.773 453 HB3 PHE 59 1HB PHE 59 -6.026 6.475 4.480 454 HD1 PHE 59 1HD PHE 59 -5.081 8.214 1.342 455 HD2 PHE 59 2HD PHE 59 -6.018 4.437 3.177 456 HE1 PHE 59 1HE PHE 59 -4.229 7.027 -0.648 457 HE2 PHE 59 2HE PHE 59 -5.174 3.259 1.202 458 HZ PHE 59 HZ PHE 59 -4.269 4.543 -0.734 459 H GLY 60 H GLY 60 -7.301 9.951 3.701 460 HA2 GLY 60 2HA GLY 60 -8.378 10.703 1.101 461 HA3 GLY 60 1HA GLY 60 -8.076 11.779 2.456 462 H ARG 61 H ARG 61 -7.116 13.001 0.491 463 HA ARG 61 HA ARG 61 -4.508 12.137 -0.406 464 HB2 ARG 61 2HB ARG 61 -5.987 14.752 -0.789 465 HB3 ARG 61 1HB ARG 61 -4.524 14.267 -1.623 466 HG2 ARG 61 2HG ARG 61 -5.718 12.299 -2.544 467 HG3 ARG 61 1HG ARG 61 -7.221 12.857 -1.822 468 HD2 ARG 61 2HD ARG 61 -5.559 14.394 -3.849 469 HD3 ARG 61 1HD ARG 61 -7.089 13.624 -4.182 470 HE ARG 61 HE ARG 61 -6.633 16.083 -2.697 471 HH11 ARG 61 1HH2 ARG 61 -8.897 13.585 -3.671 472 HH12 ARG 61 2HH2 ARG 61 -10.282 14.490 -3.247 473 HH21 ARG 61 1HH1 ARG 61 -8.488 17.290 -2.154 474 HH22 ARG 61 2HH1 ARG 61 -10.043 16.632 -2.397 475 H GLY 62 H GLY 62 -2.588 13.344 -0.002 476 HA2 GLY 62 2HA GLY 62 -1.304 14.947 1.035 477 HA3 GLY 62 1HA GLY 62 -2.640 15.393 2.089 478 H LYS 63 H LYS 63 -3.250 12.738 2.921 479 HA LYS 63 HA LYS 63 -1.505 12.448 5.114 480 HB2 LYS 63 2HB LYS 63 -3.875 11.660 5.117 481 HB3 LYS 63 1HB LYS 63 -3.428 10.400 3.973 482 HG2 LYS 63 2HG LYS 63 -3.445 9.452 6.204 483 HG3 LYS 63 1HG LYS 63 -1.784 9.491 5.631 484 HD2 LYS 63 2HD LYS 63 -1.285 11.461 6.943 485 HD3 LYS 63 1HD LYS 63 -2.983 11.680 7.385 486 HE2 LYS 63 2HE LYS 63 -1.333 9.242 8.095 487 HE3 LYS 63 1HE LYS 63 -1.579 10.621 9.174 488 HZ1 LYS 63 3HZ LYS 63 -3.674 8.843 8.049 489 HZ2 LYS 63 1HZ LYS 63 -3.997 10.208 8.978 490 HZ3 LYS 63 2HZ LYS 63 -3.168 8.889 9.646 491 H MET 64 H MET 64 -1.717 10.974 1.972 492 HA MET 64 HA MET 64 0.641 9.288 2.488 493 HB2 MET 64 2HB MET 64 -0.901 9.090 -0.064 494 HB3 MET 64 1HB MET 64 -0.153 7.838 0.937 495 HG2 MET 64 2HG MET 64 -2.742 9.295 1.574 496 HG3 MET 64 1HG MET 64 -2.568 7.633 1.042 497 HE1 MET 64 3HE MET 64 -2.763 5.959 2.225 498 HE2 MET 64 1HE MET 64 -2.482 5.682 3.953 499 HE3 MET 64 2HE MET 64 -1.133 5.666 2.822 500 H VAL 65 H VAL 65 2.336 9.304 0.879 501 HA VAL 65 HA VAL 65 2.888 11.941 -0.116 502 HB VAL 65 HB VAL 65 4.996 10.940 -0.975 503 HG11 VAL 65 1HG1 VAL 65 5.155 11.747 1.220 504 HG12 VAL 65 2HG1 VAL 65 5.768 10.109 1.369 505 HG13 VAL 65 3HG1 VAL 65 4.127 10.484 1.880 506 HG21 VAL 65 3HG2 VAL 65 4.055 8.361 0.327 507 HG22 VAL 65 1HG2 VAL 65 5.506 8.633 -0.630 508 HG23 VAL 65 2HG2 VAL 65 3.932 8.648 -1.417 509 H LYS 66 H LYS 66 3.316 12.507 -2.308 510 HA LYS 66 HA LYS 66 1.223 12.133 -3.954 511 HB2 LYS 66 2HB LYS 66 4.062 12.889 -4.576 512 HB3 LYS 66 1HB LYS 66 2.921 12.680 -5.888 513 HG2 LYS 66 2HG LYS 66 2.255 14.410 -3.495 514 HG3 LYS 66 1HG LYS 66 3.111 15.036 -4.894 515 HD2 LYS 66 2HD LYS 66 1.313 14.781 -6.339 516 HD3 LYS 66 1HD LYS 66 0.552 13.511 -5.401 517 HE2 LYS 66 2HE LYS 66 0.681 16.453 -4.654 518 HE3 LYS 66 1HE LYS 66 -0.733 15.565 -5.199 519 HZ1 LYS 66 3HZ LYS 66 0.759 15.008 -2.662 520 HZ2 LYS 66 1HZ LYS 66 -0.582 14.136 -3.229 521 HZ3 LYS 66 2HZ LYS 66 -0.696 15.782 -2.815 522 HA PRO 67 HA PRO 67 3.338 8.624 -6.533 523 HB2 PRO 67 2HB PRO 67 5.076 7.026 -5.174 524 HB3 PRO 67 1HB PRO 67 5.601 8.404 -6.144 525 HG2 PRO 67 2HG PRO 67 5.224 8.262 -3.193 526 HG3 PRO 67 1HG PRO 67 6.526 9.008 -4.136 527 HD2 PRO 67 2HD PRO 67 4.602 10.528 -3.100 528 HD3 PRO 67 1HD PRO 67 5.273 10.902 -4.694 529 H PHE 68 H PHE 68 2.920 8.317 -3.078 530 HA PHE 68 HA PHE 68 1.733 5.708 -2.997 531 HB2 PHE 68 2HB PHE 68 2.669 6.982 -0.997 532 HB3 PHE 68 1HB PHE 68 1.202 7.960 -1.035 533 HD1 PHE 68 2HD PHE 68 -1.086 6.585 -1.071 534 HD2 PHE 68 1HD PHE 68 2.710 4.998 0.239 535 HE1 PHE 68 2HE PHE 68 -2.242 4.821 0.195 536 HE2 PHE 68 1HE PHE 68 1.528 3.240 1.498 537 HZ PHE 68 HZ PHE 68 -0.946 3.144 1.484 538 H GLU 69 H GLU 69 0.477 9.000 -3.113 539 HA GLU 69 HA GLU 69 -2.283 8.378 -3.193 540 HB2 GLU 69 2HB GLU 69 -0.740 10.749 -4.278 541 HB3 GLU 69 1HB GLU 69 -2.492 10.645 -4.259 542 HG2 GLU 69 2HG GLU 69 -2.508 10.469 -1.815 543 HG3 GLU 69 1HG GLU 69 -0.750 10.431 -1.785 544 H ASP 70 H ASP 70 0.163 8.834 -5.675 545 HA ASP 70 HA ASP 70 -1.441 8.793 -7.924 546 HB2 ASP 70 2HB ASP 70 0.905 9.302 -8.100 547 HB3 ASP 70 1HB ASP 70 1.356 7.697 -7.564 548 H ALA 71 H ALA 71 0.175 6.137 -6.272 549 HA ALA 71 HA ALA 71 -0.915 4.043 -7.849 550 HB1 ALA 71 1HB ALA 71 0.370 4.175 -5.137 551 HB2 ALA 71 2HB ALA 71 0.941 3.393 -6.604 552 HB3 ALA 71 3HB ALA 71 -0.385 2.684 -5.692 553 H ALA 72 H ALA 72 -1.927 5.608 -4.858 554 HA ALA 72 HA ALA 72 -4.010 3.893 -4.161 555 HB1 ALA 72 1HB ALA 72 -4.688 5.531 -2.633 556 HB2 ALA 72 2HB ALA 72 -4.215 6.856 -3.690 557 HB3 ALA 72 3HB ALA 72 -2.986 5.907 -2.870 558 H PHE 73 H PHE 73 -4.170 6.861 -6.095 559 HA PHE 73 HA PHE 73 -6.954 6.578 -6.686 560 HB2 PHE 73 2HB PHE 73 -4.790 8.229 -7.994 561 HB3 PHE 73 1HB PHE 73 -6.456 8.241 -8.547 562 HD1 PHE 73 1HD PHE 73 -8.315 8.790 -6.856 563 HD2 PHE 73 2HD PHE 73 -4.151 9.528 -6.083 564 HE1 PHE 73 1HE PHE 73 -8.916 10.356 -5.041 565 HE2 PHE 73 2HE PHE 73 -4.761 11.080 -4.280 566 HZ PHE 73 HZ PHE 73 -7.179 11.492 -3.758 567 H ARG 74 H ARG 74 -4.045 5.579 -8.322 568 HA ARG 74 HA ARG 74 -5.170 4.810 -10.780 569 HB2 ARG 74 2HB ARG 74 -2.644 3.978 -9.366 570 HB3 ARG 74 1HB ARG 74 -3.070 3.392 -10.965 571 HG2 ARG 74 2HG ARG 74 -3.122 5.595 -11.879 572 HG3 ARG 74 1HG ARG 74 -2.986 6.352 -10.306 573 HD2 ARG 74 2HD ARG 74 -0.809 6.385 -11.414 574 HD3 ARG 74 1HD ARG 74 -0.744 5.337 -10.012 575 HE ARG 74 HE ARG 74 -1.377 3.887 -12.401 576 HH11 ARG 74 1HH2 ARG 74 1.224 5.498 -10.630 577 HH12 ARG 74 2HH2 ARG 74 2.442 4.442 -11.208 578 HH21 ARG 74 1HH1 ARG 74 0.323 2.502 -13.208 579 HH22 ARG 74 2HH1 ARG 74 1.940 2.749 -12.702 580 H LEU 75 H LEU 75 -4.618 2.933 -7.817 581 HA LEU 75 HA LEU 75 -5.615 0.582 -9.217 582 HB2 LEU 75 2HB LEU 75 -4.457 0.620 -6.449 583 HB3 LEU 75 1HB LEU 75 -4.715 -0.756 -7.492 584 HG LEU 75 HG LEU 75 -2.831 1.537 -8.112 585 HD11 LEU 75 1HD1 LEU 75 -2.524 -0.743 -6.461 586 HD12 LEU 75 2HD1 LEU 75 -1.366 0.482 -6.961 587 HD13 LEU 75 3HD1 LEU 75 -1.608 -0.978 -7.961 588 HD21 LEU 75 3HD2 LEU 75 -2.729 0.743 -10.228 589 HD22 LEU 75 1HD2 LEU 75 -4.057 -0.366 -9.916 590 HD23 LEU 75 2HD2 LEU 75 -2.403 -0.871 -9.651 591 H GLN 76 H GLN 76 -7.500 2.663 -8.278 592 HA GLN 76 HA GLN 76 -9.036 1.637 -6.141 593 HB2 GLN 76 2HB GLN 76 -9.952 3.086 -8.658 594 HB3 GLN 76 1HB GLN 76 -10.979 2.752 -7.276 595 HG2 GLN 76 2HG GLN 76 -9.402 4.044 -5.808 596 HG3 GLN 76 1HG GLN 76 -8.428 4.384 -7.212 597 HE21 GLN 76 1HE2 GLN 76 -9.262 6.664 -6.099 598 HE22 GLN 76 2HE2 GLN 76 -10.573 7.343 -6.917 599 H VAL 77 H VAL 77 -8.497 0.583 -9.354 600 HA VAL 77 HA VAL 77 -10.664 -1.132 -9.757 601 HB VAL 77 HB VAL 77 -9.143 -0.477 -11.548 602 HG11 VAL 77 1HG1 VAL 77 -7.083 -2.301 -10.292 603 HG12 VAL 77 2HG1 VAL 77 -7.053 -0.536 -10.159 604 HG13 VAL 77 3HG1 VAL 77 -6.901 -1.305 -11.728 605 HG21 VAL 77 3HG2 VAL 77 -8.844 -3.458 -11.202 606 HG22 VAL 77 1HG2 VAL 77 -9.098 -2.557 -12.695 607 HG23 VAL 77 2HG2 VAL 77 -10.416 -2.731 -11.544 608 H GLY 78 H GLY 78 -7.755 -1.557 -7.778 609 HA2 GLY 78 2HA GLY 78 -8.192 -3.214 -5.861 610 HA3 GLY 78 1HA GLY 78 -8.690 -4.286 -7.140 611 H GLU 79 H GLU 79 -6.284 -2.699 -8.489 612 HA GLU 79 HA GLU 79 -4.636 -4.997 -8.517 613 HB2 GLU 79 2HB GLU 79 -4.487 -2.278 -9.664 614 HB3 GLU 79 1HB GLU 79 -3.059 -3.285 -9.691 615 HG2 GLU 79 2HG GLU 79 -4.644 -5.121 -10.686 616 HG3 GLU 79 1HG GLU 79 -5.742 -3.781 -10.990 617 H VAL 80 H VAL 80 -2.211 -4.740 -8.372 618 HA VAL 80 HA VAL 80 -1.450 -3.652 -5.744 619 HB VAL 80 HB VAL 80 -0.107 -5.689 -7.557 620 HG11 VAL 80 1HG1 VAL 80 1.735 -4.550 -6.660 621 HG12 VAL 80 2HG1 VAL 80 1.482 -5.850 -5.510 622 HG13 VAL 80 3HG1 VAL 80 0.921 -4.227 -5.129 623 HG21 VAL 80 3HG2 VAL 80 -0.494 -6.413 -4.777 624 HG22 VAL 80 1HG2 VAL 80 -1.029 -7.252 -6.224 625 HG23 VAL 80 2HG2 VAL 80 -2.043 -5.989 -5.518 626 H SER 81 H SER 81 -0.172 -1.950 -5.671 627 HA SER 81 HA SER 81 0.325 -0.301 -7.917 628 HB2 SER 81 2HB SER 81 0.099 0.606 -5.620 629 HB3 SER 81 1HB SER 81 1.559 -0.253 -5.178 630 HG SER 81 HG SER 81 2.754 1.093 -6.415 631 H GLU 82 H GLU 82 2.238 0.543 -8.533 632 HA GLU 82 HA GLU 82 4.398 -1.336 -9.054 633 HB2 GLU 82 2HB GLU 82 5.249 1.284 -9.686 634 HB3 GLU 82 1HB GLU 82 4.589 0.105 -10.838 635 HG2 GLU 82 2HG GLU 82 2.313 1.010 -10.378 636 HG3 GLU 82 1HG GLU 82 3.072 2.147 -9.232 637 HA PRO 83 HA PRO 83 6.527 -0.441 -5.340 638 HB2 PRO 83 2HB PRO 83 9.032 0.304 -5.949 639 HB3 PRO 83 1HB PRO 83 8.455 -1.349 -6.250 640 HG2 PRO 83 2HG PRO 83 8.720 0.908 -8.186 641 HG3 PRO 83 1HG PRO 83 9.173 -0.786 -8.405 642 HD2 PRO 83 2HD PRO 83 6.877 0.240 -9.387 643 HD3 PRO 83 1HD PRO 83 6.974 -1.446 -8.883 644 H VAL 84 H VAL 84 6.566 1.322 -3.930 645 HA VAL 84 HA VAL 84 6.750 4.004 -5.153 646 HB VAL 84 HB VAL 84 4.996 3.022 -2.922 647 HG11 VAL 84 1HG1 VAL 84 5.884 5.762 -3.672 648 HG12 VAL 84 2HG1 VAL 84 5.275 5.145 -2.140 649 HG13 VAL 84 3HG1 VAL 84 4.147 5.566 -3.423 650 HG21 VAL 84 3HG2 VAL 84 3.170 3.364 -4.381 651 HG22 VAL 84 1HG2 VAL 84 4.385 2.635 -5.416 652 HG23 VAL 84 2HG2 VAL 84 4.097 4.374 -5.474 653 H LYS 85 H LYS 85 8.828 4.553 -4.654 654 HA LYS 85 HA LYS 85 9.822 4.129 -1.957 655 HB2 LYS 85 2HB LYS 85 11.492 4.022 -3.746 656 HB3 LYS 85 1HB LYS 85 11.059 5.616 -4.297 657 HG2 LYS 85 2HG LYS 85 13.081 5.783 -2.938 658 HG3 LYS 85 1HG LYS 85 11.781 6.603 -2.112 659 HD2 LYS 85 2HD LYS 85 11.457 4.718 -0.586 660 HD3 LYS 85 1HD LYS 85 12.566 3.724 -1.525 661 HE2 LYS 85 2HE LYS 85 13.750 4.560 0.430 662 HE3 LYS 85 1HE LYS 85 14.402 5.350 -1.002 663 HZ1 LYS 85 3HZ LYS 85 13.476 7.341 -0.432 664 HZ2 LYS 85 1HZ LYS 85 13.755 6.708 1.077 665 HZ3 LYS 85 2HZ LYS 85 12.196 6.683 0.496 666 H SER 86 H SER 86 9.655 5.513 -0.344 667 HA SER 86 HA SER 86 8.692 8.221 -0.915 668 HB2 SER 86 2HB SER 86 7.206 8.047 0.932 669 HB3 SER 86 1HB SER 86 6.978 6.583 -0.010 670 HG SER 86 HG SER 86 7.533 5.556 1.742 671 H GLU 87 H GLU 87 8.842 9.330 1.380 672 HA GLU 87 HA GLU 87 11.552 9.550 2.258 673 HB2 GLU 87 2HB GLU 87 9.849 11.351 2.457 674 HB3 GLU 87 1HB GLU 87 8.951 10.364 3.598 675 HG2 GLU 87 2HG GLU 87 10.827 10.408 5.174 676 HG3 GLU 87 1HG GLU 87 11.814 11.287 4.025 677 H PHE 88 H PHE 88 8.665 7.870 3.252 678 HA PHE 88 HA PHE 88 9.607 6.791 5.697 679 HB2 PHE 88 2HB PHE 88 7.291 6.118 3.894 680 HB3 PHE 88 1HB PHE 88 7.631 5.211 5.359 681 HD1 PHE 88 2HD PHE 88 7.141 8.731 4.124 682 HD2 PHE 88 1HD PHE 88 6.890 6.013 7.453 683 HE1 PHE 88 2HE PHE 88 6.089 10.501 5.495 684 HE2 PHE 88 1HE PHE 88 5.838 7.798 8.813 685 HZ PHE 88 HZ PHE 88 5.436 10.032 7.843 686 H GLY 89 H GLY 89 9.503 5.501 2.399 687 HA2 GLY 89 2HA GLY 89 11.722 3.910 2.409 688 HA3 GLY 89 1HA GLY 89 10.530 2.932 3.260 689 H TYR 90 H TYR 90 10.455 1.357 1.604 690 HA TYR 90 HA TYR 90 9.344 2.275 -0.973 691 HB2 TYR 90 2HB TYR 90 10.589 -0.330 -0.100 692 HB3 TYR 90 1HB TYR 90 9.723 -0.183 -1.600 693 HD1 TYR 90 2HD TYR 90 10.577 1.332 -3.418 694 HD2 TYR 90 1HD TYR 90 12.786 0.616 0.204 695 HE1 TYR 90 2HE TYR 90 12.606 2.201 -4.497 696 HE2 TYR 90 1HE TYR 90 14.832 1.485 -0.873 697 HH TYR 90 HH TYR 90 14.726 3.139 -3.911 698 H HIS 91 H HIS 91 7.203 2.231 -1.099 699 HA HIS 91 HA HIS 91 5.723 0.474 0.718 700 HB2 HIS 91 2HB HIS 91 4.654 2.707 -1.030 701 HB3 HIS 91 1HB HIS 91 3.762 1.783 0.156 702 HD1 HIS 91 1HD HIS 91 3.730 2.697 2.480 703 HD2 HIS 91 2HD HIS 91 6.853 4.262 0.223 704 HE1 HIS 91 1HE HIS 91 4.778 4.512 3.890 705 H VAL 92 H VAL 92 4.455 -1.082 0.006 706 HA VAL 92 HA VAL 92 4.060 -1.425 -2.900 707 HB VAL 92 HB VAL 92 4.181 -3.503 -0.688 708 HG11 VAL 92 1HG1 VAL 92 3.201 -3.635 -3.524 709 HG12 VAL 92 2HG1 VAL 92 2.535 -4.371 -2.063 710 HG13 VAL 92 3HG1 VAL 92 3.973 -5.045 -2.803 711 HG21 VAL 92 3HG2 VAL 92 6.319 -2.461 -1.908 712 HG22 VAL 92 1HG2 VAL 92 5.878 -3.613 -3.167 713 HG23 VAL 92 2HG2 VAL 92 6.229 -4.170 -1.535 714 H ILE 93 H ILE 93 1.962 -1.063 -3.367 715 HA ILE 93 HA ILE 93 0.053 -0.967 -1.108 716 HB ILE 93 HB ILE 93 0.223 0.817 -3.550 717 HG12 ILE 93 2HG1 ILE 93 0.690 1.514 -0.638 718 HG13 ILE 93 1HG1 ILE 93 2.014 1.108 -1.735 719 HG21 ILE 93 1HG2 ILE 93 -1.697 0.631 -1.239 720 HG22 ILE 93 2HG2 ILE 93 -2.063 0.774 -2.962 721 HG23 ILE 93 3HG2 ILE 93 -1.420 2.153 -2.075 722 HD11 ILE 93 3HD1 ILE 93 0.817 2.937 -3.259 723 HD12 ILE 93 1HD1 ILE 93 1.965 3.401 -2.002 724 HD13 ILE 93 2HD1 ILE 93 0.231 3.493 -1.697 725 H LYS 94 H LYS 94 -1.728 -2.156 -1.284 726 HA LYS 94 HA LYS 94 -2.734 -2.723 -3.990 727 HB2 LYS 94 2HB LYS 94 -1.901 -4.860 -2.993 728 HB3 LYS 94 1HB LYS 94 -3.026 -4.633 -1.652 729 HG2 LYS 94 2HG LYS 94 -4.947 -4.613 -3.221 730 HG3 LYS 94 1HG LYS 94 -3.847 -4.806 -4.583 731 HD2 LYS 94 2HD LYS 94 -3.124 -6.990 -3.679 732 HD3 LYS 94 1HD LYS 94 -4.224 -6.770 -2.317 733 HE2 LYS 94 2HE LYS 94 -5.313 -8.184 -4.003 734 HE3 LYS 94 1HE LYS 94 -6.150 -6.646 -3.873 735 HZ1 LYS 94 3HZ LYS 94 -4.038 -6.798 -5.953 736 HZ2 LYS 94 1HZ LYS 94 -5.577 -6.063 -5.971 737 HZ3 LYS 94 2HZ LYS 94 -5.449 -7.696 -6.128 738 H ARG 95 H ARG 95 -4.890 -2.468 -4.276 739 HA ARG 95 HA ARG 95 -6.119 -0.716 -2.352 740 HB2 ARG 95 2HB ARG 95 -6.315 -0.625 -4.942 741 HB3 ARG 95 1HB ARG 95 -7.573 -1.832 -4.743 742 HG2 ARG 95 2HG ARG 95 -7.679 0.591 -2.987 743 HG3 ARG 95 1HG ARG 95 -8.124 0.779 -4.668 744 HD2 ARG 95 2HD ARG 95 -9.307 -1.368 -2.894 745 HD3 ARG 95 1HD ARG 95 -10.048 0.195 -3.104 746 HE ARG 95 HE ARG 95 -9.933 -0.467 -5.650 747 HH11 ARG 95 1HH2 ARG 95 -10.583 -2.602 -2.949 748 HH12 ARG 95 2HH2 ARG 95 -11.562 -3.655 -3.876 749 HH21 ARG 95 1HH1 ARG 95 -11.219 -1.820 -6.818 750 HH22 ARG 95 2HH1 ARG 95 -11.953 -3.218 -6.101 751 H LEU 96 H LEU 96 -7.903 -1.129 -1.082 752 HA LEU 96 HA LEU 96 -8.731 -3.937 -0.923 753 HB2 LEU 96 2HB LEU 96 -8.412 -4.050 1.316 754 HB3 LEU 96 1HB LEU 96 -7.164 -2.876 0.949 755 HG LEU 96 HG LEU 96 -9.267 -1.180 1.309 756 HD11 LEU 96 1HD1 LEU 96 -10.979 -2.645 1.962 757 HD12 LEU 96 2HD1 LEU 96 -10.332 -2.124 3.507 758 HD13 LEU 96 3HD1 LEU 96 -9.887 -3.692 2.864 759 HD21 LEU 96 3HD2 LEU 96 -8.341 -1.602 3.928 760 HD22 LEU 96 1HD2 LEU 96 -7.678 -0.498 2.735 761 HD23 LEU 96 2HD2 LEU 96 -7.004 -2.115 2.909 762 H GLY 97 H GLY 97 -10.851 -4.342 -0.234 763 HA2 GLY 97 2HA GLY 97 -12.694 -2.052 -0.596 764 HA3 GLY 97 1HA GLY 97 -12.994 -3.650 -1.256 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.151 12.210 -7.803 2 HA2 GLY 1 2HA GLY 1 -9.646 10.819 -5.286 3 HA3 GLY 1 1HA GLY 1 -8.912 12.416 -5.171 4 HA PRO 2 HA PRO 2 -13.350 12.927 -7.288 5 HB2 PRO 2 2HB PRO 2 -14.594 10.515 -6.080 6 HB3 PRO 2 1HB PRO 2 -14.809 11.213 -7.700 7 HG2 PRO 2 2HG PRO 2 -13.425 9.000 -7.429 8 HG3 PRO 2 1HG PRO 2 -12.853 10.272 -8.523 9 HD2 PRO 2 2HD PRO 2 -11.847 9.617 -5.764 10 HD3 PRO 2 1HD PRO 2 -10.929 10.039 -7.232 11 H MET 3 H MET 3 -14.867 14.155 -6.110 12 HA MET 3 HA MET 3 -14.590 14.059 -3.173 13 HB2 MET 3 2HB MET 3 -15.586 16.267 -5.002 14 HB3 MET 3 1HB MET 3 -15.552 16.344 -3.248 15 HG2 MET 3 2HG MET 3 -13.093 16.058 -3.252 16 HG3 MET 3 1HG MET 3 -13.113 15.909 -5.002 17 HE1 MET 3 3HE MET 3 -13.791 17.881 -1.948 18 HE2 MET 3 1HE MET 3 -15.236 18.589 -2.694 19 HE3 MET 3 2HE MET 3 -13.808 19.572 -2.395 20 H GLY 4 H GLY 4 -16.278 13.492 -1.936 21 HA2 GLY 4 2HA GLY 4 -18.454 13.088 -1.258 22 HA3 GLY 4 1HA GLY 4 -19.005 14.005 -2.649 23 H SER 5 H SER 5 -17.016 11.081 -2.580 24 HA SER 5 HA SER 5 -19.215 9.585 -3.853 25 HB2 SER 5 2HB SER 5 -17.884 10.292 -5.721 26 HB3 SER 5 1HB SER 5 -16.395 9.872 -4.893 27 HG SER 5 HG SER 5 -17.507 8.378 -6.530 28 H MET 6 H MET 6 -18.478 7.252 -4.106 29 HA MET 6 HA MET 6 -17.991 6.156 -1.509 30 HB2 MET 6 2HB MET 6 -17.900 4.870 -4.251 31 HB3 MET 6 1HB MET 6 -17.783 3.991 -2.731 32 HG2 MET 6 2HG MET 6 -19.992 4.923 -2.033 33 HG3 MET 6 1HG MET 6 -20.128 5.713 -3.592 34 HE1 MET 6 3HE MET 6 -20.585 3.017 -6.149 35 HE2 MET 6 1HE MET 6 -19.078 3.859 -5.764 36 HE3 MET 6 2HE MET 6 -20.612 4.724 -5.762 37 H ALA 7 H ALA 7 -16.072 6.728 -4.369 38 HA ALA 7 HA ALA 7 -13.650 5.697 -3.080 39 HB1 ALA 7 1HB ALA 7 -14.146 6.739 -5.882 40 HB2 ALA 7 2HB ALA 7 -13.887 5.056 -5.382 41 HB3 ALA 7 3HB ALA 7 -12.575 6.222 -5.264 42 H ASP 8 H ASP 8 -15.114 8.169 -2.184 43 HA ASP 8 HA ASP 8 -13.490 10.434 -2.788 44 HB2 ASP 8 2HB ASP 8 -15.726 10.468 -1.567 45 HB3 ASP 8 1HB ASP 8 -14.865 9.925 -0.131 46 H LYS 9 H LYS 9 -13.476 7.904 -0.429 47 HA LYS 9 HA LYS 9 -10.820 8.594 0.576 48 HB2 LYS 9 2HB LYS 9 -12.763 6.420 1.383 49 HB3 LYS 9 1HB LYS 9 -11.226 6.769 2.161 50 HG2 LYS 9 2HG LYS 9 -11.989 9.033 2.739 51 HG3 LYS 9 1HG LYS 9 -13.546 8.717 1.966 52 HD2 LYS 9 2HD LYS 9 -13.845 6.768 3.521 53 HD3 LYS 9 1HD LYS 9 -12.416 7.281 4.398 54 HE2 LYS 9 2HE LYS 9 -14.970 8.875 4.026 55 HE3 LYS 9 1HE LYS 9 -14.350 8.163 5.507 56 HZ1 LYS 9 3HZ LYS 9 -13.043 10.361 3.976 57 HZ2 LYS 9 1HZ LYS 9 -12.390 9.620 5.350 58 HZ3 LYS 9 2HZ LYS 9 -13.817 10.471 5.467 59 H ILE 10 H ILE 10 -9.230 6.809 0.493 60 HA ILE 10 HA ILE 10 -9.669 5.054 -1.836 61 HB ILE 10 HB ILE 10 -7.064 5.701 -0.441 62 HG12 ILE 10 2HG1 ILE 10 -8.074 6.778 -3.099 63 HG13 ILE 10 1HG1 ILE 10 -8.122 7.708 -1.601 64 HG21 ILE 10 1HG2 ILE 10 -6.259 4.868 -2.791 65 HG22 ILE 10 2HG2 ILE 10 -7.840 4.083 -2.845 66 HG23 ILE 10 3HG2 ILE 10 -6.712 3.711 -1.549 67 HD11 ILE 10 3HD1 ILE 10 -5.496 6.683 -1.782 68 HD12 ILE 10 1HD1 ILE 10 -6.015 8.352 -2.008 69 HD13 ILE 10 2HD1 ILE 10 -5.903 7.262 -3.391 70 H LYS 11 H LYS 11 -9.939 2.971 -1.390 71 HA LYS 11 HA LYS 11 -9.454 1.992 1.338 72 HB2 LYS 11 2HB LYS 11 -10.882 0.719 -1.022 73 HB3 LYS 11 1HB LYS 11 -10.595 -0.006 0.576 74 HG2 LYS 11 2HG LYS 11 -11.923 1.702 1.659 75 HG3 LYS 11 1HG LYS 11 -12.094 2.591 0.148 76 HD2 LYS 11 2HD LYS 11 -14.119 1.410 0.302 77 HD3 LYS 11 1HD LYS 11 -13.186 0.431 -0.804 78 HE2 LYS 11 2HE LYS 11 -13.302 -0.098 2.189 79 HE3 LYS 11 1HE LYS 11 -14.328 -0.913 1.029 80 HZ1 LYS 11 3HZ LYS 11 -11.802 -1.174 0.018 81 HZ2 LYS 11 1HZ LYS 11 -12.763 -2.326 0.778 82 HZ3 LYS 11 2HZ LYS 11 -11.656 -1.474 1.724 83 H CYS 12 H CYS 12 -7.330 1.408 1.532 84 HA CYS 12 HA CYS 12 -6.303 -0.418 -0.498 85 HB2 CYS 12 2HB CYS 12 -4.938 1.039 -1.489 86 HB3 CYS 12 1HB CYS 12 -5.648 2.321 -0.517 87 HG CYS 12 HG CYS 12 -3.011 2.137 -0.127 88 H SER 13 H SER 13 -4.080 -1.157 0.010 89 HA SER 13 HA SER 13 -3.527 -1.301 2.860 90 HB2 SER 13 2HB SER 13 -3.198 -3.656 0.990 91 HB3 SER 13 1HB SER 13 -3.033 -3.643 2.734 92 HG SER 13 HG SER 13 -5.103 -4.082 2.759 93 H HIS 14 H HIS 14 -1.231 -1.322 3.291 94 HA HIS 14 HA HIS 14 0.459 -1.188 0.910 95 HB2 HIS 14 2HB HIS 14 1.027 0.953 1.064 96 HB3 HIS 14 1HB HIS 14 -0.401 1.105 2.091 97 HD2 HIS 14 2HD HIS 14 0.544 0.320 4.989 98 HE1 HIS 14 1HE HIS 14 4.073 2.540 4.366 99 HE2 HIS 14 2HE HIS 14 2.585 1.460 6.127 100 H ILE 15 H ILE 15 2.585 -1.561 1.129 101 HA ILE 15 HA ILE 15 3.486 -2.729 3.683 102 HB ILE 15 HB ILE 15 3.866 -3.772 0.860 103 HG12 ILE 15 2HG1 ILE 15 2.565 -5.090 3.246 104 HG13 ILE 15 1HG1 ILE 15 1.649 -4.177 2.064 105 HG21 ILE 15 1HG2 ILE 15 4.686 -5.590 2.935 106 HG22 ILE 15 2HG2 ILE 15 5.628 -4.111 3.085 107 HG23 ILE 15 3HG2 ILE 15 5.594 -5.011 1.558 108 HD11 ILE 15 3HD1 ILE 15 2.222 -5.676 0.310 109 HD12 ILE 15 1HD1 ILE 15 1.758 -6.679 1.676 110 HD13 ILE 15 2HD1 ILE 15 3.468 -6.467 1.286 111 H LEU 16 H LEU 16 5.328 -1.776 4.355 112 HA LEU 16 HA LEU 16 6.857 -0.084 2.480 113 HB2 LEU 16 2HB LEU 16 6.070 0.860 4.694 114 HB3 LEU 16 1HB LEU 16 7.100 -0.318 5.490 115 HG LEU 16 HG LEU 16 9.099 0.650 4.328 116 HD11 LEU 16 1HD1 LEU 16 7.035 2.024 2.796 117 HD12 LEU 16 2HD1 LEU 16 8.760 1.862 2.494 118 HD13 LEU 16 3HD1 LEU 16 8.177 3.160 3.509 119 HD21 LEU 16 3HD2 LEU 16 8.206 1.503 6.599 120 HD22 LEU 16 1HD2 LEU 16 7.543 2.859 5.685 121 HD23 LEU 16 2HD2 LEU 16 9.278 2.584 5.710 122 H VAL 17 H VAL 17 8.528 -1.089 1.531 123 HA VAL 17 HA VAL 17 9.811 -3.305 2.994 124 HB VAL 17 HB VAL 17 10.355 -4.233 0.815 125 HG11 VAL 17 1HG1 VAL 17 7.388 -3.637 1.155 126 HG12 VAL 17 2HG1 VAL 17 8.270 -4.892 2.031 127 HG13 VAL 17 3HG1 VAL 17 8.067 -5.009 0.284 128 HG21 VAL 17 3HG2 VAL 17 9.464 -3.351 -1.215 129 HG22 VAL 17 1HG2 VAL 17 10.212 -1.982 -0.407 130 HG23 VAL 17 2HG2 VAL 17 8.455 -2.178 -0.371 131 H LYS 18 H LYS 18 11.979 -3.683 2.736 132 HA LYS 18 HA LYS 18 13.615 -1.376 2.915 133 HB2 LYS 18 2HB LYS 18 14.342 -4.293 2.610 134 HB3 LYS 18 1HB LYS 18 15.462 -3.001 3.017 135 HG2 LYS 18 2HG LYS 18 14.151 -2.459 5.031 136 HG3 LYS 18 1HG LYS 18 13.016 -3.753 4.653 137 HD2 LYS 18 2HD LYS 18 14.877 -5.403 4.778 138 HD3 LYS 18 1HD LYS 18 15.969 -4.092 5.212 139 HE2 LYS 18 2HE LYS 18 15.393 -4.873 7.346 140 HE3 LYS 18 1HE LYS 18 14.205 -3.601 7.097 141 HZ1 LYS 18 3HZ LYS 18 12.797 -5.283 7.646 142 HZ2 LYS 18 1HZ LYS 18 13.849 -6.474 7.121 143 HZ3 LYS 18 2HZ LYS 18 12.909 -5.651 5.989 144 H LYS 19 H LYS 19 13.148 -3.855 0.462 145 HA LYS 19 HA LYS 19 14.880 -2.316 -1.390 146 HB2 LYS 19 2HB LYS 19 14.360 -5.287 -1.321 147 HB3 LYS 19 1HB LYS 19 15.410 -4.453 -2.452 148 HG2 LYS 19 2HG LYS 19 15.798 -4.400 0.562 149 HG3 LYS 19 1HG LYS 19 16.614 -5.522 -0.525 150 HD2 LYS 19 2HD LYS 19 17.627 -3.592 -1.744 151 HD3 LYS 19 1HD LYS 19 16.825 -2.482 -0.651 152 HE2 LYS 19 2HE LYS 19 19.233 -2.991 -0.036 153 HE3 LYS 19 1HE LYS 19 18.055 -3.259 1.244 154 HZ1 LYS 19 3HZ LYS 19 19.049 -5.427 -0.553 155 HZ2 LYS 19 1HZ LYS 19 18.108 -5.617 0.835 156 HZ3 LYS 19 2HZ LYS 19 19.689 -5.092 0.960 157 H GLN 20 H GLN 20 14.367 -2.187 -3.534 158 HA GLN 20 HA GLN 20 11.637 -1.934 -4.278 159 HB2 GLN 20 2HB GLN 20 14.076 -2.321 -6.035 160 HB3 GLN 20 1HB GLN 20 12.532 -1.629 -6.529 161 HG2 GLN 20 2HG GLN 20 13.482 0.366 -5.999 162 HG3 GLN 20 1HG GLN 20 13.137 -0.074 -4.333 163 HE21 GLN 20 1HE2 GLN 20 15.616 1.105 -6.132 164 HE22 GLN 20 2HE2 GLN 20 16.925 0.429 -5.301 165 H GLY 21 H GLY 21 14.039 -4.463 -4.566 166 HA2 GLY 21 2HA GLY 21 12.571 -6.266 -6.183 167 HA3 GLY 21 1HA GLY 21 13.894 -6.714 -5.095 168 H GLU 22 H GLU 22 12.601 -5.666 -2.714 169 HA GLU 22 HA GLU 22 11.021 -7.917 -1.965 170 HB2 GLU 22 2HB GLU 22 11.412 -5.195 -0.677 171 HB3 GLU 22 1HB GLU 22 10.514 -6.522 0.032 172 HG2 GLU 22 2HG GLU 22 12.428 -7.925 0.140 173 HG3 GLU 22 1HG GLU 22 13.416 -6.816 -0.819 174 H ALA 23 H ALA 23 10.331 -4.591 -2.850 175 HA ALA 23 HA ALA 23 7.534 -4.684 -2.513 176 HB1 ALA 23 1HB ALA 23 7.565 -2.902 -4.411 177 HB2 ALA 23 2HB ALA 23 9.325 -3.005 -4.247 178 HB3 ALA 23 3HB ALA 23 8.338 -2.508 -2.878 179 H LEU 24 H LEU 24 9.532 -5.379 -5.332 180 HA LEU 24 HA LEU 24 7.403 -6.121 -7.063 181 HB2 LEU 24 2HB LEU 24 10.322 -6.899 -7.064 182 HB3 LEU 24 1HB LEU 24 9.195 -7.302 -8.352 183 HG LEU 24 HG LEU 24 9.726 -4.461 -7.414 184 HD11 LEU 24 1HD1 LEU 24 10.665 -5.763 -9.960 185 HD12 LEU 24 2HD1 LEU 24 11.676 -5.640 -8.515 186 HD13 LEU 24 3HD1 LEU 24 11.114 -4.178 -9.329 187 HD21 LEU 24 3HD2 LEU 24 8.626 -3.952 -9.632 188 HD22 LEU 24 1HD2 LEU 24 7.527 -4.657 -8.461 189 HD23 LEU 24 2HD2 LEU 24 8.189 -5.645 -9.757 190 H ALA 25 H ALA 25 9.413 -7.939 -4.820 191 HA ALA 25 HA ALA 25 8.543 -10.502 -5.521 192 HB1 ALA 25 1HB ALA 25 10.448 -9.829 -3.916 193 HB2 ALA 25 2HB ALA 25 9.522 -11.270 -3.539 194 HB3 ALA 25 3HB ALA 25 9.200 -9.766 -2.673 195 H VAL 26 H VAL 26 7.163 -8.200 -3.168 196 HA VAL 26 HA VAL 26 5.085 -10.028 -2.419 197 HB VAL 26 HB VAL 26 4.077 -8.221 -1.211 198 HG11 VAL 26 1HG1 VAL 26 6.427 -9.193 -0.554 199 HG12 VAL 26 2HG1 VAL 26 5.742 -7.820 0.335 200 HG13 VAL 26 3HG1 VAL 26 6.968 -7.548 -0.892 201 HG21 VAL 26 3HG2 VAL 26 4.470 -6.486 -3.117 202 HG22 VAL 26 1HG2 VAL 26 6.067 -6.277 -2.388 203 HG23 VAL 26 2HG2 VAL 26 4.618 -5.936 -1.460 204 H GLN 27 H GLN 27 5.600 -7.561 -4.816 205 HA GLN 27 HA GLN 27 2.970 -7.208 -5.639 206 HB2 GLN 27 2HB GLN 27 4.968 -5.850 -6.396 207 HB3 GLN 27 1HB GLN 27 5.403 -7.177 -7.469 208 HG2 GLN 27 2HG GLN 27 3.131 -7.019 -8.521 209 HG3 GLN 27 1HG GLN 27 2.854 -5.677 -7.395 210 HE21 GLN 27 1HE2 GLN 27 3.128 -3.680 -8.414 211 HE22 GLN 27 2HE2 GLN 27 4.279 -3.380 -9.625 212 H GLU 28 H GLU 28 5.438 -9.513 -6.694 213 HA GLU 28 HA GLU 28 3.697 -10.920 -8.496 214 HB2 GLU 28 2HB GLU 28 6.360 -11.627 -7.284 215 HB3 GLU 28 1HB GLU 28 5.489 -12.748 -8.310 216 HG2 GLU 28 2HG GLU 28 5.383 -10.384 -9.780 217 HG3 GLU 28 1HG GLU 28 6.965 -10.317 -9.024 218 H ARG 29 H ARG 29 4.724 -11.412 -5.174 219 HA ARG 29 HA ARG 29 3.633 -13.937 -4.831 220 HB2 ARG 29 2HB ARG 29 5.244 -12.920 -3.259 221 HB3 ARG 29 1HB ARG 29 3.978 -11.824 -2.706 222 HG2 ARG 29 2HG ARG 29 2.615 -13.674 -1.936 223 HG3 ARG 29 1HG ARG 29 3.766 -14.846 -2.564 224 HD2 ARG 29 2HD ARG 29 5.503 -13.911 -1.041 225 HD3 ARG 29 1HD ARG 29 4.273 -12.843 -0.356 226 HE ARG 29 HE ARG 29 3.485 -15.597 -0.309 227 HH11 ARG 29 1HH2 ARG 29 5.544 -13.270 1.271 228 HH12 ARG 29 2HH2 ARG 29 5.387 -13.966 2.840 229 HH21 ARG 29 1HH1 ARG 29 3.248 -16.505 1.754 230 HH22 ARG 29 2HH1 ARG 29 4.129 -15.840 3.099 231 H LEU 30 H LEU 30 2.123 -10.770 -4.453 232 HA LEU 30 HA LEU 30 -0.296 -11.710 -3.328 233 HB2 LEU 30 2HB LEU 30 0.554 -9.232 -4.764 234 HB3 LEU 30 1HB LEU 30 -1.167 -9.546 -4.647 235 HG LEU 30 HG LEU 30 -0.013 -8.157 -2.767 236 HD11 LEU 30 1HD1 LEU 30 -1.817 -10.508 -2.162 237 HD12 LEU 30 2HD1 LEU 30 -2.320 -8.893 -2.673 238 HD13 LEU 30 3HD1 LEU 30 -1.563 -9.131 -1.093 239 HD21 LEU 30 3HD2 LEU 30 1.751 -10.131 -2.461 240 HD22 LEU 30 1HD2 LEU 30 0.464 -10.858 -1.494 241 HD23 LEU 30 2HD2 LEU 30 1.118 -9.291 -1.061 242 H LYS 31 H LYS 31 0.827 -11.391 -6.638 243 HA LYS 31 HA LYS 31 -1.652 -12.159 -7.836 244 HB2 LYS 31 2HB LYS 31 1.050 -12.715 -9.059 245 HB3 LYS 31 1HB LYS 31 -0.466 -12.369 -9.877 246 HG2 LYS 31 2HG LYS 31 1.290 -10.445 -8.340 247 HG3 LYS 31 1HG LYS 31 0.865 -10.388 -10.032 248 HD2 LYS 31 2HD LYS 31 -1.569 -10.034 -9.361 249 HD3 LYS 31 1HD LYS 31 -1.024 -9.930 -7.709 250 HE2 LYS 31 2HE LYS 31 -0.999 -7.677 -8.267 251 HE3 LYS 31 1HE LYS 31 0.660 -8.113 -8.602 252 HZ1 LYS 31 3HZ LYS 31 -1.484 -7.458 -10.494 253 HZ2 LYS 31 1HZ LYS 31 -0.380 -8.659 -10.973 254 HZ3 LYS 31 2HZ LYS 31 0.160 -7.133 -10.521 255 H ALA 32 H ALA 32 0.523 -13.820 -5.885 256 HA ALA 32 HA ALA 32 -0.029 -16.446 -7.024 257 HB1 ALA 32 1HB ALA 32 1.332 -16.080 -4.396 258 HB2 ALA 32 2HB ALA 32 2.205 -15.590 -5.851 259 HB3 ALA 32 3HB ALA 32 1.657 -17.252 -5.675 260 H GLY 33 H GLY 33 -1.640 -14.272 -5.159 261 HA2 GLY 33 2HA GLY 33 -3.742 -14.578 -4.215 262 HA3 GLY 33 1HA GLY 33 -3.499 -16.317 -4.287 263 H GLU 34 H GLU 34 -0.865 -14.733 -2.847 264 HA GLU 34 HA GLU 34 -1.639 -15.812 -0.282 265 HB2 GLU 34 2HB GLU 34 0.866 -14.397 -1.171 266 HB3 GLU 34 1HB GLU 34 0.583 -14.888 0.500 267 HG2 GLU 34 2HG GLU 34 -0.023 -17.225 -0.696 268 HG3 GLU 34 1HG GLU 34 1.056 -16.578 -1.914 269 H LYS 35 H LYS 35 -1.683 -14.683 1.644 270 HA LYS 35 HA LYS 35 -3.470 -12.525 1.592 271 HB2 LYS 35 2HB LYS 35 -3.075 -14.220 3.465 272 HB3 LYS 35 1HB LYS 35 -1.667 -13.269 3.882 273 HG2 LYS 35 2HG LYS 35 -3.388 -12.487 5.309 274 HG3 LYS 35 1HG LYS 35 -3.241 -11.248 4.073 275 HD2 LYS 35 2HD LYS 35 -5.193 -12.055 2.906 276 HD3 LYS 35 1HD LYS 35 -5.242 -13.528 3.855 277 HE2 LYS 35 2HE LYS 35 -5.597 -10.756 5.026 278 HE3 LYS 35 1HE LYS 35 -6.919 -11.826 4.588 279 HZ1 LYS 35 3HZ LYS 35 -5.291 -13.419 6.126 280 HZ2 LYS 35 1HZ LYS 35 -6.694 -12.639 6.656 281 HZ3 LYS 35 2HZ LYS 35 -5.198 -11.914 6.880 282 H PHE 36 H PHE 36 -3.141 -10.396 1.340 283 HA PHE 36 HA PHE 36 -0.621 -9.170 0.875 284 HB2 PHE 36 2HB PHE 36 -2.912 -8.224 0.204 285 HB3 PHE 36 1HB PHE 36 -3.143 -7.819 1.889 286 HD1 PHE 36 1HD PHE 36 -1.108 -7.103 -1.129 287 HD2 PHE 36 2HD PHE 36 -1.966 -5.975 2.937 288 HE1 PHE 36 1HE PHE 36 0.138 -4.997 -1.449 289 HE2 PHE 36 2HE PHE 36 -0.708 -3.867 2.598 290 HZ PHE 36 HZ PHE 36 0.339 -3.380 0.399 291 H GLY 37 H GLY 37 -2.749 -9.399 3.635 292 HA2 GLY 37 2HA GLY 37 -1.229 -7.900 5.443 293 HA3 GLY 37 1HA GLY 37 -2.413 -9.172 5.879 294 H LYS 38 H LYS 38 -1.040 -11.301 4.567 295 HA LYS 38 HA LYS 38 0.764 -12.055 6.612 296 HB2 LYS 38 2HB LYS 38 -0.456 -13.701 5.259 297 HB3 LYS 38 1HB LYS 38 0.466 -13.223 3.818 298 HG2 LYS 38 2HG LYS 38 2.509 -13.996 4.882 299 HG3 LYS 38 1HG LYS 38 1.638 -14.387 6.369 300 HD2 LYS 38 2HD LYS 38 0.240 -16.033 5.096 301 HD3 LYS 38 1HD LYS 38 1.138 -15.639 3.643 302 HE2 LYS 38 2HE LYS 38 1.856 -17.745 5.011 303 HE3 LYS 38 1HE LYS 38 3.099 -16.671 4.396 304 HZ1 LYS 38 3HZ LYS 38 3.274 -17.366 6.782 305 HZ2 LYS 38 1HZ LYS 38 1.998 -16.274 7.127 306 HZ3 LYS 38 2HZ LYS 38 3.463 -15.759 6.363 307 H LEU 39 H LEU 39 1.209 -10.797 3.364 308 HA LEU 39 HA LEU 39 4.063 -10.652 3.457 309 HB2 LEU 39 2HB LEU 39 1.986 -9.196 1.804 310 HB3 LEU 39 1HB LEU 39 3.639 -8.690 1.797 311 HG LEU 39 HG LEU 39 3.157 -10.307 -0.037 312 HD11 LEU 39 1HD1 LEU 39 5.390 -9.992 1.301 313 HD12 LEU 39 2HD1 LEU 39 5.272 -11.273 0.116 314 HD13 LEU 39 3HD1 LEU 39 5.076 -11.630 1.845 315 HD21 LEU 39 3HD2 LEU 39 1.617 -11.688 1.626 316 HD22 LEU 39 1HD2 LEU 39 3.111 -12.527 2.015 317 HD23 LEU 39 2HD2 LEU 39 2.476 -12.516 0.365 318 H ALA 40 H ALA 40 1.457 -8.459 4.402 319 HA ALA 40 HA ALA 40 2.995 -6.231 4.870 320 HB1 ALA 40 1HB ALA 40 1.196 -5.353 6.134 321 HB2 ALA 40 2HB ALA 40 0.618 -6.968 6.565 322 HB3 ALA 40 3HB ALA 40 0.474 -6.390 4.902 323 H LYS 41 H LYS 41 2.038 -8.758 7.162 324 HA LYS 41 HA LYS 41 3.721 -7.771 9.249 325 HB2 LYS 41 2HB LYS 41 2.331 -10.428 8.925 326 HB3 LYS 41 1HB LYS 41 3.409 -10.076 10.265 327 HG2 LYS 41 2HG LYS 41 2.058 -8.103 10.899 328 HG3 LYS 41 1HG LYS 41 0.962 -8.422 9.553 329 HD2 LYS 41 2HD LYS 41 0.219 -10.510 10.540 330 HD3 LYS 41 1HD LYS 41 1.501 -10.469 11.720 331 HE2 LYS 41 2HE LYS 41 -0.846 -9.752 12.484 332 HE3 LYS 41 1HE LYS 41 0.512 -8.746 12.973 333 HZ1 LYS 41 3HZ LYS 41 -1.565 -7.659 12.019 334 HZ2 LYS 41 1HZ LYS 41 -1.056 -8.173 10.508 335 HZ3 LYS 41 2HZ LYS 41 -0.085 -7.098 11.389 336 H GLU 42 H GLU 42 4.203 -10.162 6.717 337 HA GLU 42 HA GLU 42 6.596 -11.172 7.797 338 HB2 GLU 42 2HB GLU 42 5.344 -11.290 5.105 339 HB3 GLU 42 1HB GLU 42 6.901 -12.026 5.317 340 HG2 GLU 42 2HG GLU 42 5.971 -13.347 7.214 341 HG3 GLU 42 1HG GLU 42 4.395 -12.629 6.931 342 H LEU 43 H LEU 43 6.162 -8.774 5.203 343 HA LEU 43 HA LEU 43 9.093 -8.442 5.101 344 HB2 LEU 43 2HB LEU 43 6.849 -7.625 3.313 345 HB3 LEU 43 1HB LEU 43 8.397 -6.809 3.229 346 HG LEU 43 HG LEU 43 9.509 -9.066 3.024 347 HD11 LEU 43 1HD1 LEU 43 7.616 -10.704 1.998 348 HD12 LEU 43 2HD1 LEU 43 6.660 -9.847 3.227 349 HD13 LEU 43 3HD1 LEU 43 8.113 -10.723 3.688 350 HD21 LEU 43 3HD2 LEU 43 8.083 -9.266 0.627 351 HD22 LEU 43 1HD2 LEU 43 9.512 -8.274 0.927 352 HD23 LEU 43 2HD2 LEU 43 7.917 -7.568 1.116 353 H SER 44 H SER 44 6.248 -6.446 5.338 354 HA SER 44 HA SER 44 7.297 -4.128 5.014 355 HB2 SER 44 2HB SER 44 5.209 -4.393 7.118 356 HB3 SER 44 1HB SER 44 5.416 -3.178 5.819 357 HG SER 44 HG SER 44 4.509 -5.776 5.829 358 H ILE 45 H ILE 45 8.345 -2.528 6.066 359 HA ILE 45 HA ILE 45 9.368 -3.059 8.777 360 HB ILE 45 HB ILE 45 11.033 -1.319 8.280 361 HG12 ILE 45 2HG1 ILE 45 9.782 -1.269 5.501 362 HG13 ILE 45 1HG1 ILE 45 9.637 0.021 6.701 363 HG21 ILE 45 1HG2 ILE 45 10.829 -3.418 6.094 364 HG22 ILE 45 2HG2 ILE 45 11.516 -3.675 7.702 365 HG23 ILE 45 3HG2 ILE 45 12.290 -2.555 6.577 366 HD11 ILE 45 3HD1 ILE 45 11.419 0.708 5.314 367 HD12 ILE 45 1HD1 ILE 45 12.086 -0.915 5.229 368 HD13 ILE 45 2HD1 ILE 45 12.233 0.012 6.720 369 H ASP 46 H ASP 46 6.862 -1.641 7.339 370 HA ASP 46 HA ASP 46 6.633 0.657 9.151 371 HB2 ASP 46 2HB ASP 46 5.893 0.909 6.798 372 HB3 ASP 46 1HB ASP 46 4.718 -0.385 7.027 373 H GLY 47 H GLY 47 6.468 -0.306 11.140 374 HA2 GLY 47 2HA GLY 47 5.035 -2.627 11.756 375 HA3 GLY 47 1HA GLY 47 5.507 -1.404 12.917 376 H GLY 48 H GLY 48 4.092 0.787 11.908 377 HA2 GLY 48 2HA GLY 48 1.586 0.533 13.097 378 HA3 GLY 48 1HA GLY 48 1.998 1.757 11.894 379 H SER 49 H SER 49 2.592 0.145 9.752 380 HA SER 49 HA SER 49 -0.023 -0.559 8.795 381 HB2 SER 49 2HB SER 49 2.660 -1.055 7.525 382 HB3 SER 49 1HB SER 49 1.108 -1.089 6.715 383 HG SER 49 HG SER 49 2.293 1.100 8.095 384 H ALA 50 H ALA 50 2.713 -2.312 10.092 385 HA ALA 50 HA ALA 50 1.956 -4.919 9.255 386 HB1 ALA 50 1HB ALA 50 3.466 -4.228 11.781 387 HB2 ALA 50 2HB ALA 50 4.217 -4.273 10.188 388 HB3 ALA 50 3HB ALA 50 3.515 -5.736 10.880 389 H LYS 51 H LYS 51 1.025 -2.874 11.891 390 HA LYS 51 HA LYS 51 -0.225 -4.742 13.604 391 HB2 LYS 51 2HB LYS 51 -0.888 -1.828 13.071 392 HB3 LYS 51 1HB LYS 51 -1.472 -2.786 14.417 393 HG2 LYS 51 2HG LYS 51 1.490 -2.520 13.916 394 HG3 LYS 51 1HG LYS 51 0.599 -1.291 14.814 395 HD2 LYS 51 2HD LYS 51 -0.149 -3.028 16.416 396 HD3 LYS 51 1HD LYS 51 0.724 -4.248 15.491 397 HE2 LYS 51 2HE LYS 51 1.815 -3.002 17.624 398 HE3 LYS 51 1HE LYS 51 2.769 -3.601 16.279 399 HZ1 LYS 51 3HZ LYS 51 3.076 -1.170 17.030 400 HZ2 LYS 51 1HZ LYS 51 1.664 -0.838 16.181 401 HZ3 LYS 51 2HZ LYS 51 3.041 -1.501 15.413 402 H ARG 52 H ARG 52 -1.347 -2.830 10.885 403 HA ARG 52 HA ARG 52 -4.006 -4.054 11.029 404 HB2 ARG 52 2HB ARG 52 -3.001 -1.754 9.350 405 HB3 ARG 52 1HB ARG 52 -4.656 -2.322 9.448 406 HG2 ARG 52 2HG ARG 52 -4.665 -1.864 11.910 407 HG3 ARG 52 1HG ARG 52 -3.035 -1.227 11.774 408 HD2 ARG 52 2HD ARG 52 -4.527 0.652 11.704 409 HD3 ARG 52 1HD ARG 52 -3.890 0.416 10.073 410 HE ARG 52 HE ARG 52 -6.458 -0.824 10.798 411 HH11 ARG 52 1HH2 ARG 52 -4.702 1.600 8.969 412 HH12 ARG 52 2HH2 ARG 52 -6.054 1.984 7.977 413 HH21 ARG 52 1HH1 ARG 52 -8.225 -0.267 9.481 414 HH22 ARG 52 2HH1 ARG 52 -8.057 0.942 8.274 415 H ASP 53 H ASP 53 -1.266 -5.048 9.772 416 HA ASP 53 HA ASP 53 -0.671 -6.476 8.073 417 HB2 ASP 53 2HB ASP 53 -3.655 -6.614 7.550 418 HB3 ASP 53 1HB ASP 53 -2.507 -7.508 6.723 419 H GLY 54 H GLY 54 -0.805 -3.630 7.724 420 HA2 GLY 54 2HA GLY 54 -0.311 -2.181 5.980 421 HA3 GLY 54 1HA GLY 54 -0.538 -3.513 4.860 422 H SER 55 H SER 55 -3.255 -3.885 6.379 423 HA SER 55 HA SER 55 -4.859 -2.662 4.431 424 HB2 SER 55 2HB SER 55 -6.038 -3.367 7.077 425 HB3 SER 55 1HB SER 55 -6.617 -3.717 5.463 426 HG SER 55 HG SER 55 -4.644 -4.938 7.024 427 H LEU 56 H LEU 56 -4.361 -0.477 4.341 428 HA LEU 56 HA LEU 56 -4.514 1.304 6.532 429 HB2 LEU 56 2HB LEU 56 -4.962 1.780 3.563 430 HB3 LEU 56 1HB LEU 56 -4.799 3.030 4.776 431 HG LEU 56 HG LEU 56 -2.676 0.924 4.258 432 HD11 LEU 56 1HD1 LEU 56 -2.225 2.103 2.442 433 HD12 LEU 56 2HD1 LEU 56 -1.651 3.390 3.513 434 HD13 LEU 56 3HD1 LEU 56 -3.293 3.418 2.887 435 HD21 LEU 56 3HD2 LEU 56 -1.318 2.738 5.528 436 HD22 LEU 56 1HD2 LEU 56 -2.384 1.698 6.457 437 HD23 LEU 56 2HD2 LEU 56 -2.871 3.356 6.058 438 H GLY 57 H GLY 57 -6.739 0.092 4.141 439 HA2 GLY 57 2HA GLY 57 -9.049 -0.225 4.333 440 HA3 GLY 57 1HA GLY 57 -9.076 0.787 5.781 441 H TYR 58 H TYR 58 -10.731 2.125 4.963 442 HA TYR 58 HA TYR 58 -10.210 3.628 2.517 443 HB2 TYR 58 2HB TYR 58 -12.357 4.873 3.711 444 HB3 TYR 58 1HB TYR 58 -12.488 3.616 2.508 445 HD1 TYR 58 1HD TYR 58 -11.906 3.953 6.225 446 HD2 TYR 58 2HD TYR 58 -13.802 1.755 3.047 447 HE1 TYR 58 1HE TYR 58 -12.992 2.502 7.876 448 HE2 TYR 58 2HE TYR 58 -14.887 0.300 4.713 449 HH TYR 58 HH TYR 58 -15.536 0.398 7.066 450 H PHE 59 H PHE 59 -9.284 5.573 2.452 451 HA PHE 59 HA PHE 59 -9.308 7.249 4.851 452 HB2 PHE 59 2HB PHE 59 -6.915 7.769 4.634 453 HB3 PHE 59 1HB PHE 59 -7.161 6.078 5.041 454 HD1 PHE 59 1HD PHE 59 -6.138 8.458 2.376 455 HD2 PHE 59 2HD PHE 59 -6.696 4.304 3.389 456 HE1 PHE 59 1HE PHE 59 -4.852 7.793 0.382 457 HE2 PHE 59 2HE PHE 59 -5.412 3.651 1.388 458 HZ PHE 59 HZ PHE 59 -4.484 5.394 -0.125 459 H GLY 60 H GLY 60 -9.098 9.451 4.432 460 HA2 GLY 60 2HA GLY 60 -9.994 10.175 1.804 461 HA3 GLY 60 1HA GLY 60 -9.782 11.280 3.140 462 H ARG 61 H ARG 61 -8.861 11.631 0.386 463 HA ARG 61 HA ARG 61 -6.096 11.119 0.250 464 HB2 ARG 61 2HB ARG 61 -6.134 12.255 -1.800 465 HB3 ARG 61 1HB ARG 61 -7.700 11.466 -1.697 466 HG2 ARG 61 2HG ARG 61 -7.159 14.408 -1.070 467 HG3 ARG 61 1HG ARG 61 -7.896 13.757 -2.520 468 HD2 ARG 61 2HD ARG 61 -9.080 13.544 0.283 469 HD3 ARG 61 1HD ARG 61 -9.592 14.604 -0.971 470 HE ARG 61 HE ARG 61 -10.191 11.760 -0.861 471 HH11 ARG 61 1HH2 ARG 61 -9.812 14.512 -2.964 472 HH12 ARG 61 2HH2 ARG 61 -10.955 13.971 -4.109 473 HH21 ARG 61 1HH1 ARG 61 -11.651 11.054 -2.292 474 HH22 ARG 61 2HH1 ARG 61 -12.134 11.955 -3.681 475 H GLY 62 H GLY 62 -4.382 12.461 0.546 476 HA2 GLY 62 2HA GLY 62 -3.453 14.630 1.045 477 HA3 GLY 62 1HA GLY 62 -4.868 14.994 1.988 478 H LYS 63 H LYS 63 -4.840 12.089 2.864 479 HA LYS 63 HA LYS 63 -3.726 12.467 5.403 480 HB2 LYS 63 2HB LYS 63 -5.592 10.921 4.977 481 HB3 LYS 63 1HB LYS 63 -4.523 9.873 4.061 482 HG2 LYS 63 2HG LYS 63 -4.756 8.985 6.311 483 HG3 LYS 63 1HG LYS 63 -3.111 9.569 6.122 484 HD2 LYS 63 2HD LYS 63 -3.576 11.578 7.359 485 HD3 LYS 63 1HD LYS 63 -5.309 11.291 7.312 486 HE2 LYS 63 2HE LYS 63 -4.402 10.703 9.512 487 HE3 LYS 63 1HE LYS 63 -5.010 9.267 8.714 488 HZ1 LYS 63 3HZ LYS 63 -2.142 10.103 8.684 489 HZ2 LYS 63 1HZ LYS 63 -2.767 8.643 8.103 490 HZ3 LYS 63 2HZ LYS 63 -2.818 8.971 9.736 491 H MET 64 H MET 64 -2.450 10.715 2.573 492 HA MET 64 HA MET 64 0.066 10.292 4.077 493 HB2 MET 64 2HB MET 64 -1.249 8.521 2.024 494 HB3 MET 64 1HB MET 64 0.377 8.280 2.639 495 HG2 MET 64 2HG MET 64 -0.441 8.077 4.928 496 HG3 MET 64 1HG MET 64 -2.096 8.388 4.402 497 HE1 MET 64 3HE MET 64 -2.565 6.714 1.747 498 HE2 MET 64 1HE MET 64 -3.505 7.098 3.190 499 HE3 MET 64 2HE MET 64 -3.348 5.444 2.664 500 H VAL 65 H VAL 65 2.014 10.115 2.814 501 HA VAL 65 HA VAL 65 2.542 12.358 1.450 502 HB VAL 65 HB VAL 65 4.514 11.214 0.442 503 HG11 VAL 65 1HG1 VAL 65 5.552 10.607 2.568 504 HG12 VAL 65 2HG1 VAL 65 3.971 10.428 3.319 505 HG13 VAL 65 3HG1 VAL 65 4.517 12.016 2.803 506 HG21 VAL 65 3HG2 VAL 65 4.669 8.730 1.429 507 HG22 VAL 65 1HG2 VAL 65 3.947 9.064 -0.146 508 HG23 VAL 65 2HG2 VAL 65 2.925 8.814 1.291 509 H LYS 66 H LYS 66 2.127 13.181 -0.436 510 HA LYS 66 HA LYS 66 0.075 12.372 -1.978 511 HB2 LYS 66 2HB LYS 66 2.399 13.969 -3.027 512 HB3 LYS 66 1HB LYS 66 0.758 13.968 -3.654 513 HG2 LYS 66 2HG LYS 66 1.523 14.821 -0.827 514 HG3 LYS 66 1HG LYS 66 1.186 15.917 -2.136 515 HD2 LYS 66 2HD LYS 66 -1.017 15.781 -1.817 516 HD3 LYS 66 1HD LYS 66 -1.042 14.037 -1.949 517 HE2 LYS 66 2HE LYS 66 0.089 14.942 0.635 518 HE3 LYS 66 1HE LYS 66 -1.528 15.550 0.350 519 HZ1 LYS 66 3HZ LYS 66 -2.125 13.070 -0.213 520 HZ2 LYS 66 1HZ LYS 66 -1.846 13.502 1.368 521 HZ3 LYS 66 2HZ LYS 66 -0.682 12.693 0.549 522 HA PRO 67 HA PRO 67 2.887 10.205 -5.249 523 HB2 PRO 67 2HB PRO 67 5.002 8.844 -4.168 524 HB3 PRO 67 1HB PRO 67 5.144 10.435 -4.930 525 HG2 PRO 67 2HG PRO 67 5.011 9.780 -2.018 526 HG3 PRO 67 1HG PRO 67 5.992 10.961 -2.877 527 HD2 PRO 67 2HD PRO 67 3.836 11.829 -1.579 528 HD3 PRO 67 1HD PRO 67 4.287 12.515 -3.136 529 H PHE 68 H PHE 68 2.674 9.120 -1.905 530 HA PHE 68 HA PHE 68 2.183 6.353 -2.399 531 HB2 PHE 68 2HB PHE 68 2.789 7.173 -0.170 532 HB3 PHE 68 1HB PHE 68 1.262 8.065 -0.062 533 HD1 PHE 68 1HD PHE 68 -0.888 6.832 0.041 534 HD2 PHE 68 2HD PHE 68 2.908 4.808 0.100 535 HE1 PHE 68 1HE PHE 68 -1.990 4.779 0.859 536 HE2 PHE 68 2HE PHE 68 1.811 2.774 0.906 537 HZ PHE 68 HZ PHE 68 -0.671 2.761 1.283 538 H GLU 69 H GLU 69 0.073 9.130 -1.839 539 HA GLU 69 HA GLU 69 -2.376 7.717 -2.204 540 HB2 GLU 69 2HB GLU 69 -1.714 10.662 -2.401 541 HB3 GLU 69 1HB GLU 69 -3.349 10.012 -2.523 542 HG2 GLU 69 2HG GLU 69 -3.188 9.029 -0.299 543 HG3 GLU 69 1HG GLU 69 -1.510 9.524 -0.162 544 H ASP 70 H ASP 70 -0.336 9.583 -4.364 545 HA ASP 70 HA ASP 70 -1.988 9.639 -6.615 546 HB2 ASP 70 2HB ASP 70 0.219 10.847 -6.299 547 HB3 ASP 70 1HB ASP 70 1.013 9.324 -6.682 548 H ALA 71 H ALA 71 0.414 7.251 -5.616 549 HA ALA 71 HA ALA 71 -0.061 5.435 -7.767 550 HB1 ALA 71 1HB ALA 71 1.034 3.757 -6.228 551 HB2 ALA 71 2HB ALA 71 1.161 5.043 -5.029 552 HB3 ALA 71 3HB ALA 71 1.997 5.191 -6.574 553 H ALA 72 H ALA 72 -1.414 5.804 -4.535 554 HA ALA 72 HA ALA 72 -2.826 3.398 -4.373 555 HB1 ALA 72 1HB ALA 72 -4.081 4.360 -2.616 556 HB2 ALA 72 2HB ALA 72 -3.891 5.986 -3.265 557 HB3 ALA 72 3HB ALA 72 -2.505 5.158 -2.541 558 H PHE 73 H PHE 73 -3.780 6.462 -5.798 559 HA PHE 73 HA PHE 73 -6.425 5.679 -6.458 560 HB2 PHE 73 2HB PHE 73 -4.647 7.850 -7.579 561 HB3 PHE 73 1HB PHE 73 -6.264 7.536 -8.193 562 HD1 PHE 73 1HD PHE 73 -8.223 7.491 -6.538 563 HD2 PHE 73 2HD PHE 73 -4.373 9.150 -5.580 564 HE1 PHE 73 1HE PHE 73 -9.229 8.751 -4.669 565 HE2 PHE 73 2HE PHE 73 -5.374 10.403 -3.715 566 HZ PHE 73 HZ PHE 73 -7.812 10.212 -3.252 567 H ARG 74 H ARG 74 -3.375 5.315 -8.106 568 HA ARG 74 HA ARG 74 -4.240 4.696 -10.695 569 HB2 ARG 74 2HB ARG 74 -1.857 3.597 -9.197 570 HB3 ARG 74 1HB ARG 74 -2.104 3.483 -10.924 571 HG2 ARG 74 2HG ARG 74 -2.081 6.132 -9.474 572 HG3 ARG 74 1HG ARG 74 -0.628 5.416 -10.147 573 HD2 ARG 74 2HD ARG 74 -3.123 6.280 -11.639 574 HD3 ARG 74 1HD ARG 74 -1.510 6.925 -11.808 575 HE ARG 74 HE ARG 74 -2.536 4.631 -13.148 576 HH11 ARG 74 1HH2 ARG 74 0.300 5.910 -11.610 577 HH12 ARG 74 2HH2 ARG 74 1.434 4.983 -12.481 578 HH21 ARG 74 1HH1 ARG 74 -1.061 3.364 -14.369 579 HH22 ARG 74 2HH1 ARG 74 0.625 3.471 -14.088 580 H LEU 75 H LEU 75 -4.408 2.820 -7.806 581 HA LEU 75 HA LEU 75 -4.625 0.314 -9.306 582 HB2 LEU 75 2HB LEU 75 -4.575 0.760 -6.338 583 HB3 LEU 75 1HB LEU 75 -4.501 -0.782 -7.163 584 HG LEU 75 HG LEU 75 -2.468 1.451 -7.460 585 HD11 LEU 75 1HD1 LEU 75 -2.744 -0.912 -5.712 586 HD12 LEU 75 2HD1 LEU 75 -1.836 0.599 -5.456 587 HD13 LEU 75 3HD1 LEU 75 -1.187 -0.682 -6.492 588 HD21 LEU 75 3HD2 LEU 75 -1.178 -0.383 -8.624 589 HD22 LEU 75 1HD2 LEU 75 -2.599 0.142 -9.520 590 HD23 LEU 75 2HD2 LEU 75 -2.635 -1.361 -8.590 591 H GLN 76 H GLN 76 -6.795 2.572 -8.656 592 HA GLN 76 HA GLN 76 -8.782 1.430 -7.211 593 HB2 GLN 76 2HB GLN 76 -9.004 3.263 -9.578 594 HB3 GLN 76 1HB GLN 76 -10.414 2.758 -8.639 595 HG2 GLN 76 2HG GLN 76 -7.937 3.991 -7.435 596 HG3 GLN 76 1HG GLN 76 -9.380 4.920 -7.784 597 HE21 GLN 76 1HE2 GLN 76 -8.357 4.585 -5.079 598 HE22 GLN 76 2HE2 GLN 76 -9.484 3.647 -4.223 599 H VAL 77 H VAL 77 -7.683 0.319 -10.206 600 HA VAL 77 HA VAL 77 -9.951 -1.109 -11.083 601 HB VAL 77 HB VAL 77 -7.982 -0.741 -12.515 602 HG11 VAL 77 1HG1 VAL 77 -6.310 -1.085 -10.599 603 HG12 VAL 77 2HG1 VAL 77 -5.887 -1.773 -12.155 604 HG13 VAL 77 3HG1 VAL 77 -6.515 -2.817 -10.881 605 HG21 VAL 77 3HG2 VAL 77 -9.486 -2.683 -12.975 606 HG22 VAL 77 1HG2 VAL 77 -8.436 -3.704 -11.984 607 HG23 VAL 77 2HG2 VAL 77 -7.822 -2.987 -13.471 608 H GLY 78 H GLY 78 -7.355 -1.863 -8.833 609 HA2 GLY 78 2HA GLY 78 -8.057 -3.292 -6.829 610 HA3 GLY 78 1HA GLY 78 -8.695 -4.389 -8.019 611 H GLU 79 H GLU 79 -5.688 -2.592 -7.973 612 HA GLU 79 HA GLU 79 -4.301 -5.147 -8.400 613 HB2 GLU 79 2HB GLU 79 -4.381 -2.732 -9.984 614 HB3 GLU 79 1HB GLU 79 -2.743 -3.131 -9.508 615 HG2 GLU 79 2HG GLU 79 -4.676 -5.044 -10.840 616 HG3 GLU 79 1HG GLU 79 -3.378 -4.213 -11.668 617 H VAL 80 H VAL 80 -1.884 -4.787 -8.186 618 HA VAL 80 HA VAL 80 -1.277 -3.474 -5.602 619 HB VAL 80 HB VAL 80 0.044 -5.823 -6.997 620 HG11 VAL 80 1HG1 VAL 80 0.778 -4.391 -4.433 621 HG12 VAL 80 2HG1 VAL 80 1.764 -4.523 -5.881 622 HG13 VAL 80 3HG1 VAL 80 1.425 -5.952 -4.906 623 HG21 VAL 80 3HG2 VAL 80 -1.035 -6.023 -4.221 624 HG22 VAL 80 1HG2 VAL 80 -0.990 -7.218 -5.510 625 HG23 VAL 80 2HG2 VAL 80 -2.224 -5.964 -5.531 626 H SER 81 H SER 81 0.178 -1.875 -5.718 627 HA SER 81 HA SER 81 0.890 -0.807 -8.254 628 HB2 SER 81 2HB SER 81 2.083 0.877 -6.750 629 HB3 SER 81 1HB SER 81 0.343 0.787 -6.641 630 HG SER 81 HG SER 81 0.546 -0.430 -4.791 631 H GLU 82 H GLU 82 3.036 -0.044 -8.824 632 HA GLU 82 HA GLU 82 5.085 -2.044 -8.579 633 HB2 GLU 82 2HB GLU 82 5.324 0.823 -9.462 634 HB3 GLU 82 1HB GLU 82 6.394 -0.489 -9.925 635 HG2 GLU 82 2HG GLU 82 5.076 -0.701 -11.778 636 HG3 GLU 82 1HG GLU 82 3.901 -1.420 -10.669 637 HA PRO 83 HA PRO 83 7.057 -0.619 -4.900 638 HB2 PRO 83 2HB PRO 83 9.480 0.064 -6.505 639 HB3 PRO 83 1HB PRO 83 9.331 -0.932 -5.047 640 HG2 PRO 83 2HG PRO 83 9.692 -2.048 -7.432 641 HG3 PRO 83 1HG PRO 83 8.659 -2.819 -6.227 642 HD2 PRO 83 2HD PRO 83 7.819 -1.422 -8.731 643 HD3 PRO 83 1HD PRO 83 7.025 -2.693 -7.792 644 H VAL 84 H VAL 84 6.726 1.381 -3.987 645 HA VAL 84 HA VAL 84 7.153 3.787 -5.661 646 HB VAL 84 HB VAL 84 5.091 3.137 -3.554 647 HG11 VAL 84 1HG1 VAL 84 6.069 5.838 -4.489 648 HG12 VAL 84 2HG1 VAL 84 5.619 5.293 -2.858 649 HG13 VAL 84 3HG1 VAL 84 4.375 5.601 -4.049 650 HG21 VAL 84 3HG2 VAL 84 4.772 4.325 -6.332 651 HG22 VAL 84 1HG2 VAL 84 3.514 3.663 -5.290 652 HG23 VAL 84 2HG2 VAL 84 4.707 2.590 -6.006 653 H LYS 85 H LYS 85 8.740 5.084 -4.962 654 HA LYS 85 HA LYS 85 9.765 4.604 -2.287 655 HB2 LYS 85 2HB LYS 85 11.441 4.667 -4.058 656 HB3 LYS 85 1HB LYS 85 10.947 6.304 -4.485 657 HG2 LYS 85 2HG LYS 85 11.569 7.141 -2.277 658 HG3 LYS 85 1HG LYS 85 11.946 5.498 -1.743 659 HD2 LYS 85 2HD LYS 85 13.781 5.379 -3.380 660 HD3 LYS 85 1HD LYS 85 13.370 6.977 -3.978 661 HE2 LYS 85 2HE LYS 85 15.265 6.746 -2.185 662 HE3 LYS 85 1HE LYS 85 14.121 8.067 -2.047 663 HZ1 LYS 85 3HZ LYS 85 14.543 6.802 -0.006 664 HZ2 LYS 85 1HZ LYS 85 13.796 5.453 -0.649 665 HZ3 LYS 85 2HZ LYS 85 12.897 6.884 -0.372 666 H SER 86 H SER 86 9.558 5.912 -0.636 667 HA SER 86 HA SER 86 8.413 8.585 -1.059 668 HB2 SER 86 2HB SER 86 7.390 8.300 1.130 669 HB3 SER 86 1HB SER 86 6.893 6.979 0.095 670 HG SER 86 HG SER 86 7.843 5.667 1.419 671 H GLU 87 H GLU 87 8.874 9.601 1.257 672 HA GLU 87 HA GLU 87 11.711 9.963 1.545 673 HB2 GLU 87 2HB GLU 87 10.483 10.835 3.928 674 HB3 GLU 87 1HB GLU 87 10.909 11.830 2.542 675 HG2 GLU 87 2HG GLU 87 8.228 10.410 2.894 676 HG3 GLU 87 1HG GLU 87 8.517 12.088 3.221 677 H PHE 88 H PHE 88 9.140 8.192 3.058 678 HA PHE 88 HA PHE 88 10.451 7.157 5.340 679 HB2 PHE 88 2HB PHE 88 8.173 5.951 3.760 680 HB3 PHE 88 1HB PHE 88 8.604 5.569 5.409 681 HD1 PHE 88 1HD PHE 88 9.304 8.980 5.330 682 HD2 PHE 88 2HD PHE 88 5.905 6.325 5.100 683 HE1 PHE 88 1HE PHE 88 7.829 10.792 6.065 684 HE2 PHE 88 2HE PHE 88 4.441 8.171 5.855 685 HZ PHE 88 HZ PHE 88 5.400 10.400 6.339 686 H GLY 89 H GLY 89 9.868 5.786 2.106 687 HA2 GLY 89 2HA GLY 89 12.175 4.407 1.688 688 HA3 GLY 89 1HA GLY 89 11.244 3.322 2.712 689 H TYR 90 H TYR 90 10.984 1.777 1.061 690 HA TYR 90 HA TYR 90 9.491 2.611 -1.313 691 HB2 TYR 90 2HB TYR 90 11.218 0.293 -0.646 692 HB3 TYR 90 1HB TYR 90 9.917 -0.027 -1.758 693 HD1 TYR 90 2HD TYR 90 9.735 1.261 -3.896 694 HD2 TYR 90 1HD TYR 90 13.104 1.712 -1.260 695 HE1 TYR 90 2HE TYR 90 11.008 2.357 -5.709 696 HE2 TYR 90 1HE TYR 90 14.365 2.811 -3.062 697 HH TYR 90 HH TYR 90 14.390 3.018 -5.421 698 H HIS 91 H HIS 91 7.425 2.222 -1.586 699 HA HIS 91 HA HIS 91 5.987 0.606 0.418 700 HB2 HIS 91 2HB HIS 91 4.970 2.810 -1.376 701 HB3 HIS 91 1HB HIS 91 4.014 1.900 -0.219 702 HD1 HIS 91 1HD HIS 91 3.917 2.827 2.089 703 HD2 HIS 91 2HD HIS 91 7.149 4.338 -0.054 704 HE1 HIS 91 1HE HIS 91 4.945 4.638 3.538 705 H VAL 92 H VAL 92 4.495 -0.842 -0.246 706 HA VAL 92 HA VAL 92 4.044 -1.247 -3.136 707 HB VAL 92 HB VAL 92 3.607 -3.449 -1.132 708 HG11 VAL 92 1HG1 VAL 92 3.389 -3.161 -3.955 709 HG12 VAL 92 2HG1 VAL 92 3.117 -4.597 -2.988 710 HG13 VAL 92 3HG1 VAL 92 4.716 -4.272 -3.646 711 HG21 VAL 92 3HG2 VAL 92 6.245 -2.987 -2.536 712 HG22 VAL 92 1HG2 VAL 92 5.885 -4.249 -1.362 713 HG23 VAL 92 2HG2 VAL 92 5.988 -2.580 -0.833 714 H ILE 93 H ILE 93 1.969 -0.609 -3.579 715 HA ILE 93 HA ILE 93 0.079 -0.572 -1.307 716 HB ILE 93 HB ILE 93 0.108 1.146 -3.810 717 HG12 ILE 93 2HG1 ILE 93 0.621 1.897 -0.922 718 HG13 ILE 93 1HG1 ILE 93 1.918 1.603 -2.084 719 HG21 ILE 93 1HG2 ILE 93 -2.130 1.070 -3.236 720 HG22 ILE 93 2HG2 ILE 93 -1.582 2.430 -2.275 721 HG23 ILE 93 3HG2 ILE 93 -1.805 0.848 -1.517 722 HD11 ILE 93 3HD1 ILE 93 1.694 3.878 -2.372 723 HD12 ILE 93 1HD1 ILE 93 -0.009 3.869 -1.934 724 HD13 ILE 93 2HD1 ILE 93 0.487 3.350 -3.541 725 H LYS 94 H LYS 94 -1.636 -1.801 -1.404 726 HA LYS 94 HA LYS 94 -2.532 -2.779 -4.033 727 HB2 LYS 94 2HB LYS 94 -1.775 -4.706 -2.774 728 HB3 LYS 94 1HB LYS 94 -2.738 -4.206 -1.378 729 HG2 LYS 94 2HG LYS 94 -4.805 -4.418 -2.625 730 HG3 LYS 94 1HG LYS 94 -3.922 -4.812 -4.108 731 HD2 LYS 94 2HD LYS 94 -3.153 -6.879 -3.109 732 HD3 LYS 94 1HD LYS 94 -3.933 -6.485 -1.572 733 HE2 LYS 94 2HE LYS 94 -5.411 -6.684 -4.216 734 HE3 LYS 94 1HE LYS 94 -5.355 -7.988 -3.034 735 HZ1 LYS 94 3HZ LYS 94 -7.246 -6.891 -2.410 736 HZ2 LYS 94 1HZ LYS 94 -6.684 -5.328 -2.758 737 HZ3 LYS 94 2HZ LYS 94 -6.125 -6.156 -1.407 738 H ARG 95 H ARG 95 -4.690 -2.716 -4.472 739 HA ARG 95 HA ARG 95 -6.186 -0.758 -2.957 740 HB2 ARG 95 2HB ARG 95 -6.325 -0.920 -5.453 741 HB3 ARG 95 1HB ARG 95 -7.171 -2.458 -5.245 742 HG2 ARG 95 2HG ARG 95 -8.891 -1.270 -3.825 743 HG3 ARG 95 1HG ARG 95 -8.045 0.237 -4.203 744 HD2 ARG 95 2HD ARG 95 -8.386 -0.297 -6.632 745 HD3 ARG 95 1HD ARG 95 -9.421 -1.606 -6.161 746 HE ARG 95 HE ARG 95 -10.064 1.265 -5.903 747 HH11 ARG 95 1HH2 ARG 95 -10.946 -2.045 -5.182 748 HH12 ARG 95 2HH2 ARG 95 -12.591 -1.634 -4.905 749 HH21 ARG 95 1HH1 ARG 95 -12.169 1.755 -5.560 750 HH22 ARG 95 2HH1 ARG 95 -13.310 0.555 -5.112 751 H LEU 96 H LEU 96 -7.913 -1.121 -1.649 752 HA LEU 96 HA LEU 96 -8.646 -3.903 -1.083 753 HB2 LEU 96 2HB LEU 96 -7.506 -2.759 0.789 754 HB3 LEU 96 1HB LEU 96 -8.714 -1.481 0.737 755 HG LEU 96 HG LEU 96 -10.474 -3.136 1.203 756 HD11 LEU 96 1HD1 LEU 96 -9.718 -5.415 2.005 757 HD12 LEU 96 2HD1 LEU 96 -8.120 -5.060 1.382 758 HD13 LEU 96 3HD1 LEU 96 -9.495 -5.172 0.278 759 HD21 LEU 96 3HD2 LEU 96 -10.077 -3.170 3.504 760 HD22 LEU 96 1HD2 LEU 96 -8.923 -1.940 2.997 761 HD23 LEU 96 2HD2 LEU 96 -8.384 -3.589 3.316 762 H GLY 97 H GLY 97 -10.740 -4.379 -1.493 763 HA2 GLY 97 2HA GLY 97 -12.321 -2.410 -2.853 764 HA3 GLY 97 1HA GLY 97 -12.734 -4.093 -2.624 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -20.379 13.324 -3.759 2 HA2 GLY 1 2HA GLY 1 -22.204 15.330 -2.744 3 HA3 GLY 1 1HA GLY 1 -21.963 13.936 -1.703 4 HA PRO 2 HA PRO 2 -18.605 17.241 -1.002 5 HB2 PRO 2 2HB PRO 2 -19.581 16.994 1.781 6 HB3 PRO 2 1HB PRO 2 -19.238 18.438 0.808 7 HG2 PRO 2 2HG PRO 2 -21.737 17.784 1.338 8 HG3 PRO 2 1HG PRO 2 -21.288 18.394 -0.264 9 HD2 PRO 2 2HD PRO 2 -21.772 15.547 0.568 10 HD3 PRO 2 1HD PRO 2 -22.340 16.399 -0.886 11 H MET 3 H MET 3 -16.572 16.800 0.010 12 HA MET 3 HA MET 3 -15.890 14.085 0.472 13 HB2 MET 3 2HB MET 3 -14.441 16.656 1.145 14 HB3 MET 3 1HB MET 3 -13.736 15.065 1.431 15 HG2 MET 3 2HG MET 3 -13.980 14.530 -0.987 16 HG3 MET 3 1HG MET 3 -14.681 16.120 -1.266 17 HE1 MET 3 3HE MET 3 -12.070 14.252 0.484 18 HE2 MET 3 1HE MET 3 -10.661 15.312 0.617 19 HE3 MET 3 2HE MET 3 -10.899 14.325 -0.809 20 H GLY 4 H GLY 4 -15.429 13.021 2.400 21 HA2 GLY 4 2HA GLY 4 -15.348 13.116 4.917 22 HA3 GLY 4 1HA GLY 4 -16.744 14.175 4.822 23 H SER 5 H SER 5 -16.086 11.367 2.834 24 HA SER 5 HA SER 5 -18.238 9.880 4.135 25 HB2 SER 5 2HB SER 5 -19.040 9.299 1.796 26 HB3 SER 5 1HB SER 5 -19.335 10.944 2.313 27 HG SER 5 HG SER 5 -16.934 11.028 1.250 28 H MET 6 H MET 6 -18.141 7.579 3.537 29 HA MET 6 HA MET 6 -15.497 6.590 3.722 30 HB2 MET 6 2HB MET 6 -18.142 5.234 3.159 31 HB3 MET 6 1HB MET 6 -16.620 4.353 3.271 32 HG2 MET 6 2HG MET 6 -16.236 5.229 5.550 33 HG3 MET 6 1HG MET 6 -17.726 6.150 5.441 34 HE1 MET 6 3HE MET 6 -16.856 2.454 4.218 35 HE2 MET 6 1HE MET 6 -17.267 1.604 5.719 36 HE3 MET 6 2HE MET 6 -15.989 2.817 5.695 37 H ALA 7 H ALA 7 -17.728 6.816 1.006 38 HA ALA 7 HA ALA 7 -16.099 5.347 -0.811 39 HB1 ALA 7 1HB ALA 7 -18.650 6.672 -0.957 40 HB2 ALA 7 2HB ALA 7 -17.961 5.389 -1.952 41 HB3 ALA 7 3HB ALA 7 -17.658 7.071 -2.371 42 H ASP 8 H ASP 8 -16.226 8.757 -0.072 43 HA ASP 8 HA ASP 8 -14.595 9.529 -2.250 44 HB2 ASP 8 2HB ASP 8 -14.410 11.671 -1.271 45 HB3 ASP 8 1HB ASP 8 -16.016 11.047 -0.825 46 H LYS 9 H LYS 9 -13.900 8.032 0.705 47 HA LYS 9 HA LYS 9 -11.086 8.622 0.766 48 HB2 LYS 9 2HB LYS 9 -12.571 6.322 2.049 49 HB3 LYS 9 1HB LYS 9 -10.967 6.919 2.468 50 HG2 LYS 9 2HG LYS 9 -13.461 8.593 2.629 51 HG3 LYS 9 1HG LYS 9 -12.794 7.728 4.026 52 HD2 LYS 9 2HD LYS 9 -10.747 9.013 3.833 53 HD3 LYS 9 1HD LYS 9 -11.354 9.877 2.408 54 HE2 LYS 9 2HE LYS 9 -12.497 9.916 5.208 55 HE3 LYS 9 1HE LYS 9 -11.708 11.240 4.353 56 HZ1 LYS 9 3HZ LYS 9 -13.544 10.846 2.573 57 HZ2 LYS 9 1HZ LYS 9 -13.928 11.670 3.988 58 HZ3 LYS 9 2HZ LYS 9 -14.374 10.047 3.802 59 H ILE 10 H ILE 10 -9.575 6.798 0.646 60 HA ILE 10 HA ILE 10 -10.213 4.996 -1.603 61 HB ILE 10 HB ILE 10 -7.468 5.918 -0.675 62 HG12 ILE 10 2HG1 ILE 10 -8.782 7.720 -1.859 63 HG13 ILE 10 1HG1 ILE 10 -7.393 7.180 -2.785 64 HG21 ILE 10 1HG2 ILE 10 -7.080 4.870 -3.128 65 HG22 ILE 10 2HG2 ILE 10 -8.407 3.857 -2.600 66 HG23 ILE 10 3HG2 ILE 10 -6.927 3.942 -1.640 67 HD11 ILE 10 3HD1 ILE 10 -10.101 7.161 -3.611 68 HD12 ILE 10 1HD1 ILE 10 -9.599 5.471 -3.466 69 HD13 ILE 10 2HD1 ILE 10 -8.685 6.577 -4.480 70 H LYS 11 H LYS 11 -10.269 2.898 -1.109 71 HA LYS 11 HA LYS 11 -9.433 2.132 1.582 72 HB2 LYS 11 2HB LYS 11 -10.898 0.568 -0.542 73 HB3 LYS 11 1HB LYS 11 -10.480 -0.037 1.046 74 HG2 LYS 11 2HG LYS 11 -11.831 1.739 2.086 75 HG3 LYS 11 1HG LYS 11 -12.304 2.340 0.497 76 HD2 LYS 11 2HD LYS 11 -14.085 0.888 1.085 77 HD3 LYS 11 1HD LYS 11 -13.082 -0.055 0.002 78 HE2 LYS 11 2HE LYS 11 -12.115 -1.324 1.687 79 HE3 LYS 11 1HE LYS 11 -12.516 -0.204 2.963 80 HZ1 LYS 11 3HZ LYS 11 -14.467 -1.135 3.257 81 HZ2 LYS 11 1HZ LYS 11 -13.809 -2.413 2.386 82 HZ3 LYS 11 2HZ LYS 11 -14.850 -1.298 1.594 83 H CYS 12 H CYS 12 -7.286 1.784 1.599 84 HA CYS 12 HA CYS 12 -6.278 -0.072 -0.429 85 HB2 CYS 12 2HB CYS 12 -4.958 1.398 -1.440 86 HB3 CYS 12 1HB CYS 12 -5.660 2.677 -0.477 87 HG CYS 12 HG CYS 12 -2.998 2.497 -0.131 88 H SER 13 H SER 13 -4.111 -0.825 -0.015 89 HA SER 13 HA SER 13 -3.439 -1.128 2.824 90 HB2 SER 13 2HB SER 13 -3.328 -3.414 0.860 91 HB3 SER 13 1HB SER 13 -3.176 -3.481 2.612 92 HG SER 13 HG SER 13 -5.417 -3.238 0.961 93 H HIS 14 H HIS 14 -1.197 -1.031 3.136 94 HA HIS 14 HA HIS 14 0.427 -1.177 0.707 95 HB2 HIS 14 2HB HIS 14 1.404 0.841 0.906 96 HB3 HIS 14 1HB HIS 14 -0.158 1.270 1.606 97 HD2 HIS 14 2HD HIS 14 0.232 0.424 4.697 98 HE1 HIS 14 1HE HIS 14 3.933 2.427 4.567 99 HE2 HIS 14 2HE HIS 14 2.153 1.486 6.095 100 H ILE 15 H ILE 15 2.518 -1.677 0.906 101 HA ILE 15 HA ILE 15 3.362 -2.836 3.471 102 HB ILE 15 HB ILE 15 3.680 -3.982 0.680 103 HG12 ILE 15 2HG1 ILE 15 2.375 -5.178 3.135 104 HG13 ILE 15 1HG1 ILE 15 1.467 -4.270 1.941 105 HG21 ILE 15 1HG2 ILE 15 5.246 -4.421 3.140 106 HG22 ILE 15 2HG2 ILE 15 5.564 -4.934 1.478 107 HG23 ILE 15 3HG2 ILE 15 4.514 -5.896 2.504 108 HD11 ILE 15 3HD1 ILE 15 3.170 -6.682 1.229 109 HD12 ILE 15 1HD1 ILE 15 1.963 -5.859 0.229 110 HD13 ILE 15 2HD1 ILE 15 1.452 -6.771 1.639 111 H LEU 16 H LEU 16 5.243 -2.035 4.127 112 HA LEU 16 HA LEU 16 6.768 -0.333 2.285 113 HB2 LEU 16 2HB LEU 16 6.022 0.614 4.499 114 HB3 LEU 16 1HB LEU 16 6.991 -0.617 5.292 115 HG LEU 16 HG LEU 16 9.050 0.281 4.185 116 HD11 LEU 16 1HD1 LEU 16 8.021 2.849 3.419 117 HD12 LEU 16 2HD1 LEU 16 7.181 1.623 2.495 118 HD13 LEU 16 3HD1 LEU 16 8.945 1.700 2.484 119 HD21 LEU 16 3HD2 LEU 16 7.760 2.675 5.427 120 HD22 LEU 16 1HD2 LEU 16 9.345 1.977 5.732 121 HD23 LEU 16 2HD2 LEU 16 7.901 1.229 6.423 122 H VAL 17 H VAL 17 8.617 -1.058 1.468 123 HA VAL 17 HA VAL 17 9.860 -3.418 2.722 124 HB VAL 17 HB VAL 17 10.593 -4.066 0.513 125 HG11 VAL 17 1HG1 VAL 17 7.846 -3.925 -0.286 126 HG12 VAL 17 2HG1 VAL 17 7.886 -4.058 1.463 127 HG13 VAL 17 3HG1 VAL 17 8.721 -5.259 0.458 128 HG21 VAL 17 3HG2 VAL 17 10.693 -1.881 -0.588 129 HG22 VAL 17 1HG2 VAL 17 8.937 -1.700 -0.446 130 HG23 VAL 17 2HG2 VAL 17 9.630 -2.957 -1.479 131 H LYS 18 H LYS 18 12.060 -3.627 2.609 132 HA LYS 18 HA LYS 18 13.536 -1.247 3.099 133 HB2 LYS 18 2HB LYS 18 14.435 -4.082 2.587 134 HB3 LYS 18 1HB LYS 18 15.474 -2.806 3.167 135 HG2 LYS 18 2HG LYS 18 14.058 -2.520 5.166 136 HG3 LYS 18 1HG LYS 18 13.006 -3.821 4.600 137 HD2 LYS 18 2HD LYS 18 15.673 -4.860 4.530 138 HD3 LYS 18 1HD LYS 18 15.484 -4.015 6.054 139 HE2 LYS 18 2HE LYS 18 14.783 -6.336 6.308 140 HE3 LYS 18 1HE LYS 18 13.401 -5.267 6.520 141 HZ1 LYS 18 3HZ LYS 18 12.407 -6.127 4.711 142 HZ2 LYS 18 1HZ LYS 18 13.499 -7.369 4.869 143 HZ3 LYS 18 2HZ LYS 18 13.801 -6.162 3.747 144 H LYS 19 H LYS 19 13.229 -3.504 0.445 145 HA LYS 19 HA LYS 19 14.911 -1.760 -1.269 146 HB2 LYS 19 2HB LYS 19 14.972 -4.771 -1.012 147 HB3 LYS 19 1HB LYS 19 15.839 -3.829 -2.226 148 HG2 LYS 19 2HG LYS 19 17.034 -2.596 -0.490 149 HG3 LYS 19 1HG LYS 19 16.170 -3.469 0.768 150 HD2 LYS 19 2HD LYS 19 17.115 -5.594 -0.026 151 HD3 LYS 19 1HD LYS 19 18.001 -4.735 -1.293 152 HE2 LYS 19 2HE LYS 19 19.199 -3.429 0.437 153 HE3 LYS 19 1HE LYS 19 18.309 -4.277 1.689 154 HZ1 LYS 19 3HZ LYS 19 19.678 -6.063 1.512 155 HZ2 LYS 19 1HZ LYS 19 20.672 -5.038 0.626 156 HZ3 LYS 19 2HZ LYS 19 19.593 -6.061 -0.171 157 H GLN 20 H GLN 20 14.639 -2.042 -3.541 158 HA GLN 20 HA GLN 20 11.944 -2.145 -4.430 159 HB2 GLN 20 2HB GLN 20 14.540 -2.428 -5.971 160 HB3 GLN 20 1HB GLN 20 12.959 -2.315 -6.719 161 HG2 GLN 20 2HG GLN 20 12.599 -0.111 -5.648 162 HG3 GLN 20 1HG GLN 20 14.194 -0.229 -4.905 163 HE21 GLN 20 1HE2 GLN 20 13.064 1.623 -7.128 164 HE22 GLN 20 2HE2 GLN 20 14.221 1.484 -8.355 165 H GLY 21 H GLY 21 14.565 -4.480 -4.347 166 HA2 GLY 21 2HA GLY 21 13.361 -6.540 -5.802 167 HA3 GLY 21 1HA GLY 21 14.591 -6.791 -4.556 168 H GLU 22 H GLU 22 13.108 -5.633 -2.416 169 HA GLU 22 HA GLU 22 11.497 -7.865 -1.635 170 HB2 GLU 22 2HB GLU 22 11.803 -5.081 -0.490 171 HB3 GLU 22 1HB GLU 22 10.804 -6.344 0.231 172 HG2 GLU 22 2HG GLU 22 12.792 -7.782 0.497 173 HG3 GLU 22 1HG GLU 22 13.795 -6.551 -0.279 174 H ALA 23 H ALA 23 10.818 -4.590 -2.796 175 HA ALA 23 HA ALA 23 8.005 -4.718 -2.623 176 HB1 ALA 23 1HB ALA 23 8.464 -3.159 -4.880 177 HB2 ALA 23 2HB ALA 23 9.924 -2.928 -3.920 178 HB3 ALA 23 3HB ALA 23 8.342 -2.580 -3.229 179 H LEU 24 H LEU 24 10.194 -5.479 -5.294 180 HA LEU 24 HA LEU 24 8.209 -6.294 -7.122 181 HB2 LEU 24 2HB LEU 24 11.161 -6.847 -6.881 182 HB3 LEU 24 1HB LEU 24 10.192 -7.675 -8.082 183 HG LEU 24 HG LEU 24 11.388 -5.372 -8.656 184 HD11 LEU 24 1HD1 LEU 24 8.575 -5.620 -9.635 185 HD12 LEU 24 2HD1 LEU 24 9.764 -6.875 -10.010 186 HD13 LEU 24 3HD1 LEU 24 10.048 -5.216 -10.514 187 HD21 LEU 24 3HD2 LEU 24 9.962 -3.458 -8.402 188 HD22 LEU 24 1HD2 LEU 24 10.166 -4.133 -6.795 189 HD23 LEU 24 2HD2 LEU 24 8.664 -4.393 -7.703 190 H ALA 25 H ALA 25 10.116 -8.072 -4.743 191 HA ALA 25 HA ALA 25 9.254 -10.662 -5.376 192 HB1 ALA 25 1HB ALA 25 9.937 -11.274 -3.098 193 HB2 ALA 25 2HB ALA 25 9.991 -9.564 -2.655 194 HB3 ALA 25 3HB ALA 25 11.125 -10.202 -3.842 195 H VAL 26 H VAL 26 7.915 -8.339 -3.001 196 HA VAL 26 HA VAL 26 5.819 -10.067 -2.223 197 HB VAL 26 HB VAL 26 4.792 -8.185 -1.122 198 HG11 VAL 26 1HG1 VAL 26 6.383 -8.243 0.438 199 HG12 VAL 26 2HG1 VAL 26 7.436 -7.216 -0.526 200 HG13 VAL 26 3HG1 VAL 26 7.494 -8.957 -0.727 201 HG21 VAL 26 3HG2 VAL 26 5.189 -6.553 -3.115 202 HG22 VAL 26 1HG2 VAL 26 6.803 -6.342 -2.411 203 HG23 VAL 26 2HG2 VAL 26 5.364 -5.919 -1.492 204 H GLN 27 H GLN 27 6.001 -7.600 -4.721 205 HA GLN 27 HA GLN 27 3.308 -7.566 -5.512 206 HB2 GLN 27 2HB GLN 27 5.845 -7.313 -7.097 207 HB3 GLN 27 1HB GLN 27 4.254 -7.052 -7.813 208 HG2 GLN 27 2HG GLN 27 3.809 -5.244 -6.358 209 HG3 GLN 27 1HG GLN 27 5.238 -5.515 -5.371 210 HE21 GLN 27 1HE2 GLN 27 4.759 -3.020 -6.713 211 HE22 GLN 27 2HE2 GLN 27 5.943 -2.871 -7.926 212 H GLU 28 H GLU 28 5.967 -9.664 -6.447 213 HA GLU 28 HA GLU 28 4.422 -11.311 -8.217 214 HB2 GLU 28 2HB GLU 28 7.078 -11.761 -6.855 215 HB3 GLU 28 1HB GLU 28 6.378 -12.898 -8.003 216 HG2 GLU 28 2HG GLU 28 6.316 -11.113 -9.726 217 HG3 GLU 28 1HG GLU 28 7.004 -9.994 -8.560 218 H ARG 29 H ARG 29 5.417 -11.535 -4.864 219 HA ARG 29 HA ARG 29 4.446 -14.108 -4.380 220 HB2 ARG 29 2HB ARG 29 6.042 -12.986 -2.883 221 HB3 ARG 29 1HB ARG 29 4.778 -11.860 -2.390 222 HG2 ARG 29 2HG ARG 29 3.444 -13.683 -1.472 223 HG3 ARG 29 1HG ARG 29 4.586 -14.869 -2.088 224 HD2 ARG 29 2HD ARG 29 6.340 -14.008 -0.623 225 HD3 ARG 29 1HD ARG 29 5.280 -12.756 -0.000 226 HE ARG 29 HE ARG 29 4.183 -15.402 0.253 227 HH11 ARG 29 1HH2 ARG 29 6.445 -13.109 1.713 228 HH12 ARG 29 2HH2 ARG 29 6.192 -13.780 3.281 229 HH21 ARG 29 1HH1 ARG 29 3.940 -16.188 2.338 230 HH22 ARG 29 2HH1 ARG 29 4.841 -15.447 3.644 231 H LEU 30 H LEU 30 2.857 -10.981 -4.216 232 HA LEU 30 HA LEU 30 0.433 -11.884 -3.070 233 HB2 LEU 30 2HB LEU 30 1.223 -9.487 -4.688 234 HB3 LEU 30 1HB LEU 30 -0.480 -9.853 -4.601 235 HG LEU 30 HG LEU 30 0.059 -8.329 -2.817 236 HD11 LEU 30 1HD1 LEU 30 -1.338 -10.626 -2.463 237 HD12 LEU 30 2HD1 LEU 30 -1.187 -9.380 -1.249 238 HD13 LEU 30 3HD1 LEU 30 -0.138 -10.795 -1.186 239 HD21 LEU 30 3HD2 LEU 30 2.426 -8.713 -2.540 240 HD22 LEU 30 1HD2 LEU 30 2.161 -10.384 -2.023 241 HD23 LEU 30 2HD2 LEU 30 1.636 -9.045 -1.004 242 H LYS 31 H LYS 31 1.674 -11.904 -6.331 243 HA LYS 31 HA LYS 31 -0.720 -12.777 -7.620 244 HB2 LYS 31 2HB LYS 31 2.003 -13.665 -8.536 245 HB3 LYS 31 1HB LYS 31 0.574 -13.299 -9.489 246 HG2 LYS 31 2HG LYS 31 2.362 -11.315 -8.062 247 HG3 LYS 31 1HG LYS 31 2.176 -11.542 -9.780 248 HD2 LYS 31 2HD LYS 31 -0.357 -10.971 -9.379 249 HD3 LYS 31 1HD LYS 31 0.203 -10.303 -7.865 250 HE2 LYS 31 2HE LYS 31 0.877 -9.389 -10.648 251 HE3 LYS 31 1HE LYS 31 0.352 -8.445 -9.269 252 HZ1 LYS 31 3HZ LYS 31 3.042 -9.496 -9.860 253 HZ2 LYS 31 1HZ LYS 31 2.592 -9.302 -8.241 254 HZ3 LYS 31 2HZ LYS 31 2.604 -7.992 -9.345 255 H ALA 32 H ALA 32 1.778 -14.368 -5.708 256 HA ALA 32 HA ALA 32 1.350 -17.020 -6.487 257 HB1 ALA 32 1HB ALA 32 3.064 -15.802 -4.757 258 HB2 ALA 32 2HB ALA 32 2.811 -17.529 -4.825 259 HB3 ALA 32 3HB ALA 32 1.951 -16.567 -3.623 260 H GLY 33 H GLY 33 -0.498 -14.829 -4.623 261 HA2 GLY 33 2HA GLY 33 -2.811 -15.186 -4.336 262 HA3 GLY 33 1HA GLY 33 -2.544 -16.914 -4.204 263 H GLU 34 H GLU 34 -0.278 -14.999 -2.455 264 HA GLU 34 HA GLU 34 -1.409 -15.924 0.029 265 HB2 GLU 34 2HB GLU 34 1.069 -14.263 -0.501 266 HB3 GLU 34 1HB GLU 34 0.570 -14.854 1.079 267 HG2 GLU 34 2HG GLU 34 0.507 -17.211 -0.042 268 HG3 GLU 34 1HG GLU 34 1.400 -16.455 -1.322 269 H LYS 35 H LYS 35 -2.048 -14.606 1.750 270 HA LYS 35 HA LYS 35 -3.699 -12.461 0.985 271 HB2 LYS 35 2HB LYS 35 -4.027 -13.982 2.978 272 HB3 LYS 35 1HB LYS 35 -2.791 -13.047 3.815 273 HG2 LYS 35 2HG LYS 35 -4.157 -11.010 3.614 274 HG3 LYS 35 1HG LYS 35 -5.352 -11.888 2.654 275 HD2 LYS 35 2HD LYS 35 -5.754 -13.423 4.546 276 HD3 LYS 35 1HD LYS 35 -4.629 -12.517 5.546 277 HE2 LYS 35 2HE LYS 35 -7.091 -11.284 4.249 278 HE3 LYS 35 1HE LYS 35 -7.054 -11.946 5.881 279 HZ1 LYS 35 3HZ LYS 35 -5.894 -9.446 4.897 280 HZ2 LYS 35 1HZ LYS 35 -4.981 -10.293 6.073 281 HZ3 LYS 35 2HZ LYS 35 -6.584 -9.876 6.339 282 H PHE 36 H PHE 36 -3.432 -10.312 1.048 283 HA PHE 36 HA PHE 36 -0.900 -9.161 0.781 284 HB2 PHE 36 2HB PHE 36 -3.096 -8.198 0.003 285 HB3 PHE 36 1HB PHE 36 -3.448 -7.756 1.664 286 HD1 PHE 36 1HD PHE 36 -1.217 -7.151 -1.231 287 HD2 PHE 36 2HD PHE 36 -2.296 -5.890 2.738 288 HE1 PHE 36 1HE PHE 36 0.078 -5.070 -1.542 289 HE2 PHE 36 2HE PHE 36 -0.988 -3.808 2.418 290 HZ PHE 36 HZ PHE 36 0.193 -3.397 0.274 291 H GLY 37 H GLY 37 -3.074 -9.252 3.565 292 HA2 GLY 37 2HA GLY 37 -1.474 -7.803 5.381 293 HA3 GLY 37 1HA GLY 37 -2.744 -8.991 5.769 294 H LYS 38 H LYS 38 -1.590 -11.201 4.527 295 HA LYS 38 HA LYS 38 0.066 -12.235 6.554 296 HB2 LYS 38 2HB LYS 38 -1.283 -13.605 4.969 297 HB3 LYS 38 1HB LYS 38 -0.186 -13.136 3.663 298 HG2 LYS 38 2HG LYS 38 1.652 -14.239 4.787 299 HG3 LYS 38 1HG LYS 38 0.623 -14.656 6.167 300 HD2 LYS 38 2HD LYS 38 -0.841 -15.966 4.684 301 HD3 LYS 38 1HD LYS 38 0.183 -15.616 3.297 302 HE2 LYS 38 2HE LYS 38 1.118 -17.042 5.817 303 HE3 LYS 38 1HE LYS 38 0.622 -17.840 4.338 304 HZ1 LYS 38 3HZ LYS 38 2.366 -16.576 3.141 305 HZ2 LYS 38 1HZ LYS 38 2.987 -17.588 4.352 306 HZ3 LYS 38 2HZ LYS 38 2.893 -15.966 4.691 307 H LEU 39 H LEU 39 0.720 -10.970 3.334 308 HA LEU 39 HA LEU 39 3.578 -11.018 3.416 309 HB2 LEU 39 2HB LEU 39 1.570 -9.357 1.871 310 HB3 LEU 39 1HB LEU 39 3.283 -9.118 1.753 311 HG LEU 39 HG LEU 39 1.781 -10.945 0.267 312 HD11 LEU 39 1HD1 LEU 39 3.866 -9.788 -0.348 313 HD12 LEU 39 2HD1 LEU 39 3.879 -11.508 -0.718 314 HD13 LEU 39 3HD1 LEU 39 4.763 -10.897 0.695 315 HD21 LEU 39 3HD2 LEU 39 2.646 -13.133 0.810 316 HD22 LEU 39 1HD2 LEU 39 1.875 -12.529 2.257 317 HD23 LEU 39 2HD2 LEU 39 3.643 -12.533 2.108 318 H ALA 40 H ALA 40 1.107 -8.655 4.371 319 HA ALA 40 HA ALA 40 2.816 -6.577 4.746 320 HB1 ALA 40 1HB ALA 40 0.362 -7.072 6.417 321 HB2 ALA 40 2HB ALA 40 0.338 -6.440 4.766 322 HB3 ALA 40 3HB ALA 40 1.110 -5.510 6.058 323 H LYS 41 H LYS 41 1.655 -8.977 7.070 324 HA LYS 41 HA LYS 41 3.219 -8.097 9.285 325 HB2 LYS 41 2HB LYS 41 2.016 -10.780 8.645 326 HB3 LYS 41 1HB LYS 41 2.817 -10.417 10.173 327 HG2 LYS 41 2HG LYS 41 1.145 -8.549 10.524 328 HG3 LYS 41 1HG LYS 41 0.331 -9.081 9.046 329 HD2 LYS 41 2HD LYS 41 -0.044 -11.309 10.006 330 HD3 LYS 41 1HD LYS 41 0.804 -10.843 11.467 331 HE2 LYS 41 2HE LYS 41 -1.356 -10.445 12.168 332 HE3 LYS 41 1HE LYS 41 -1.007 -8.866 11.482 333 HZ1 LYS 41 3HZ LYS 41 -2.274 -11.086 9.965 334 HZ2 LYS 41 1HZ LYS 41 -2.102 -9.485 9.452 335 HZ3 LYS 41 2HZ LYS 41 -3.136 -9.876 10.738 336 H GLU 42 H GLU 42 3.750 -10.462 6.718 337 HA GLU 42 HA GLU 42 6.106 -11.546 7.844 338 HB2 GLU 42 2HB GLU 42 4.917 -11.674 5.109 339 HB3 GLU 42 1HB GLU 42 6.395 -12.500 5.423 340 HG2 GLU 42 2HG GLU 42 5.134 -13.644 7.409 341 HG3 GLU 42 1HG GLU 42 3.688 -12.940 6.696 342 H LEU 43 H LEU 43 5.729 -9.098 5.256 343 HA LEU 43 HA LEU 43 8.653 -8.899 5.210 344 HB2 LEU 43 2HB LEU 43 7.960 -9.721 3.153 345 HB3 LEU 43 1HB LEU 43 6.538 -8.704 3.091 346 HG LEU 43 HG LEU 43 8.373 -8.078 1.507 347 HD11 LEU 43 1HD1 LEU 43 8.289 -5.599 2.910 348 HD12 LEU 43 2HD1 LEU 43 6.751 -6.452 3.141 349 HD13 LEU 43 3HD1 LEU 43 7.346 -6.153 1.525 350 HD21 LEU 43 3HD2 LEU 43 10.038 -8.276 3.812 351 HD22 LEU 43 1HD2 LEU 43 9.978 -6.559 3.391 352 HD23 LEU 43 2HD2 LEU 43 10.481 -7.736 2.205 353 H SER 44 H SER 44 5.792 -6.831 5.334 354 HA SER 44 HA SER 44 6.967 -4.449 4.759 355 HB2 SER 44 2HB SER 44 4.959 -4.586 6.994 356 HB3 SER 44 1HB SER 44 5.147 -3.380 5.747 357 HG SER 44 HG SER 44 4.068 -5.895 5.725 358 H ILE 45 H ILE 45 8.094 -2.868 5.845 359 HA ILE 45 HA ILE 45 9.149 -3.537 8.522 360 HB ILE 45 HB ILE 45 10.786 -1.737 8.135 361 HG12 ILE 45 2HG1 ILE 45 9.603 -1.584 5.336 362 HG13 ILE 45 1HG1 ILE 45 9.352 -0.369 6.593 363 HG21 ILE 45 1HG2 ILE 45 11.151 -4.161 7.346 364 HG22 ILE 45 2HG2 ILE 45 12.179 -2.907 6.633 365 HG23 ILE 45 3HG2 ILE 45 10.819 -3.545 5.721 366 HD11 ILE 45 3HD1 ILE 45 11.192 0.618 5.718 367 HD12 ILE 45 1HD1 ILE 45 11.680 -0.846 4.882 368 HD13 ILE 45 2HD1 ILE 45 12.104 -0.622 6.579 369 H ASP 46 H ASP 46 6.542 -2.279 7.367 370 HA ASP 46 HA ASP 46 6.355 0.121 9.034 371 HB2 ASP 46 2HB ASP 46 5.388 0.161 6.744 372 HB3 ASP 46 1HB ASP 46 4.312 -1.146 7.200 373 H GLY 47 H GLY 47 5.907 -0.174 11.094 374 HA2 GLY 47 2HA GLY 47 4.881 -2.588 12.189 375 HA3 GLY 47 1HA GLY 47 5.056 -1.060 13.038 376 H GLY 48 H GLY 48 3.385 0.641 12.258 377 HA2 GLY 48 2HA GLY 48 0.937 -0.162 13.218 378 HA3 GLY 48 1HA GLY 48 1.182 1.286 12.247 379 H SER 49 H SER 49 1.944 0.169 9.815 380 HA SER 49 HA SER 49 -0.598 -0.614 8.807 381 HB2 SER 49 2HB SER 49 2.065 -0.849 7.389 382 HB3 SER 49 1HB SER 49 0.463 -0.818 6.684 383 HG SER 49 HG SER 49 2.018 1.238 7.718 384 H ALA 50 H ALA 50 2.278 -2.386 9.866 385 HA ALA 50 HA ALA 50 1.523 -4.892 8.710 386 HB1 ALA 50 1HB ALA 50 3.376 -4.196 10.997 387 HB2 ALA 50 2HB ALA 50 3.795 -4.667 9.342 388 HB3 ALA 50 3HB ALA 50 3.093 -5.846 10.439 389 H LYS 51 H LYS 51 0.912 -3.316 11.743 390 HA LYS 51 HA LYS 51 -0.391 -5.490 13.024 391 HB2 LYS 51 2HB LYS 51 -0.700 -2.501 13.407 392 HB3 LYS 51 1HB LYS 51 -1.350 -3.718 14.500 393 HG2 LYS 51 2HG LYS 51 1.596 -3.476 13.802 394 HG3 LYS 51 1HG LYS 51 0.860 -2.787 15.241 395 HD2 LYS 51 2HD LYS 51 0.194 -5.030 16.031 396 HD3 LYS 51 1HD LYS 51 0.813 -5.767 14.563 397 HE2 LYS 51 2HE LYS 51 2.391 -5.969 16.449 398 HE3 LYS 51 1HE LYS 51 3.084 -5.077 15.101 399 HZ1 LYS 51 3HZ LYS 51 1.830 -3.178 16.738 400 HZ2 LYS 51 1HZ LYS 51 3.493 -3.464 16.560 401 HZ3 LYS 51 2HZ LYS 51 2.642 -4.251 17.757 402 H ARG 52 H ARG 52 -1.352 -3.043 10.785 403 HA ARG 52 HA ARG 52 -4.090 -4.078 10.734 404 HB2 ARG 52 2HB ARG 52 -2.930 -1.478 9.751 405 HB3 ARG 52 1HB ARG 52 -4.564 -2.015 9.356 406 HG2 ARG 52 2HG ARG 52 -5.149 -2.219 11.699 407 HG3 ARG 52 1HG ARG 52 -3.516 -1.800 12.209 408 HD2 ARG 52 2HD ARG 52 -3.838 0.475 11.194 409 HD3 ARG 52 1HD ARG 52 -5.469 -0.011 10.737 410 HE ARG 52 HE ARG 52 -5.329 -0.514 13.445 411 HH11 ARG 52 1HH2 ARG 52 -4.919 2.323 11.413 412 HH12 ARG 52 2HH2 ARG 52 -5.413 3.415 12.632 413 HH21 ARG 52 1HH1 ARG 52 -5.970 0.928 15.023 414 HH22 ARG 52 2HH1 ARG 52 -6.036 2.610 14.730 415 H ASP 53 H ASP 53 -1.569 -5.242 9.520 416 HA ASP 53 HA ASP 53 -1.072 -6.542 7.740 417 HB2 ASP 53 2HB ASP 53 -4.033 -6.319 7.388 418 HB3 ASP 53 1HB ASP 53 -3.087 -7.298 6.365 419 H GLY 54 H GLY 54 -0.794 -3.745 7.349 420 HA2 GLY 54 2HA GLY 54 -0.107 -2.408 5.570 421 HA3 GLY 54 1HA GLY 54 -0.630 -3.678 4.470 422 H SER 55 H SER 55 -3.290 -3.893 5.721 423 HA SER 55 HA SER 55 -4.790 -2.239 4.082 424 HB2 SER 55 2HB SER 55 -6.128 -3.000 6.561 425 HB3 SER 55 1HB SER 55 -6.509 -3.431 4.909 426 HG SER 55 HG SER 55 -4.690 -4.521 6.747 427 H LEU 56 H LEU 56 -4.125 -0.093 4.240 428 HA LEU 56 HA LEU 56 -4.036 1.365 6.660 429 HB2 LEU 56 2HB LEU 56 -4.446 2.200 3.794 430 HB3 LEU 56 1HB LEU 56 -4.245 3.361 5.083 431 HG LEU 56 HG LEU 56 -2.238 1.216 4.291 432 HD11 LEU 56 1HD1 LEU 56 -2.579 3.360 2.865 433 HD12 LEU 56 2HD1 LEU 56 -0.943 2.878 3.346 434 HD13 LEU 56 3HD1 LEU 56 -1.762 4.169 4.201 435 HD21 LEU 56 3HD2 LEU 56 -1.810 1.444 6.566 436 HD22 LEU 56 1HD2 LEU 56 -2.380 3.111 6.632 437 HD23 LEU 56 2HD2 LEU 56 -0.811 2.739 5.928 438 H GLY 57 H GLY 57 -6.475 0.646 4.282 439 HA2 GLY 57 2HA GLY 57 -8.773 0.311 4.969 440 HA3 GLY 57 1HA GLY 57 -8.530 1.541 6.200 441 H TYR 58 H TYR 58 -10.219 2.812 5.513 442 HA TYR 58 HA TYR 58 -10.323 3.935 2.827 443 HB2 TYR 58 2HB TYR 58 -11.741 4.834 5.329 444 HB3 TYR 58 1HB TYR 58 -12.186 5.211 3.708 445 HD1 TYR 58 1HD TYR 58 -11.815 2.264 6.031 446 HD2 TYR 58 2HD TYR 58 -13.723 3.843 2.510 447 HE1 TYR 58 1HE TYR 58 -13.259 0.299 5.946 448 HE2 TYR 58 2HE TYR 58 -15.178 1.845 2.436 449 HH TYR 58 HH TYR 58 -15.747 -0.126 4.854 450 H PHE 59 H PHE 59 -9.175 5.834 2.367 451 HA PHE 59 HA PHE 59 -8.782 7.728 4.538 452 HB2 PHE 59 2HB PHE 59 -6.372 8.053 4.018 453 HB3 PHE 59 1HB PHE 59 -6.728 6.482 4.719 454 HD1 PHE 59 1HD PHE 59 -5.889 8.265 1.573 455 HD2 PHE 59 2HD PHE 59 -6.510 4.444 3.456 456 HE1 PHE 59 1HE PHE 59 -4.890 7.130 -0.383 457 HE2 PHE 59 2HE PHE 59 -5.526 3.319 1.518 458 HZ PHE 59 HZ PHE 59 -4.703 4.656 -0.423 459 H GLY 60 H GLY 60 -8.433 9.819 3.935 460 HA2 GLY 60 2HA GLY 60 -9.261 10.430 1.211 461 HA3 GLY 60 1HA GLY 60 -9.266 11.557 2.552 462 H ARG 61 H ARG 61 -8.113 12.889 0.824 463 HA ARG 61 HA ARG 61 -5.423 12.211 0.140 464 HB2 ARG 61 2HB ARG 61 -6.862 14.870 0.065 465 HB3 ARG 61 1HB ARG 61 -5.304 14.511 -0.678 466 HG2 ARG 61 2HG ARG 61 -6.414 12.734 -2.044 467 HG3 ARG 61 1HG ARG 61 -7.982 13.268 -1.424 468 HD2 ARG 61 2HD ARG 61 -5.984 14.970 -2.950 469 HD3 ARG 61 1HD ARG 61 -7.478 14.367 -3.611 470 HE ARG 61 HE ARG 61 -7.124 16.546 -1.694 471 HH11 ARG 61 1HH2 ARG 61 -9.340 14.435 -3.390 472 HH12 ARG 61 2HH2 ARG 61 -10.727 15.386 -3.070 473 HH21 ARG 61 1HH1 ARG 61 -9.009 17.814 -1.235 474 HH22 ARG 61 2HH1 ARG 61 -10.530 17.348 -1.818 475 H GLY 62 H GLY 62 -3.569 13.290 0.856 476 HA2 GLY 62 2HA GLY 62 -2.372 14.794 2.094 477 HA3 GLY 62 1HA GLY 62 -3.729 15.071 3.166 478 H LYS 63 H LYS 63 -4.128 12.172 3.652 479 HA LYS 63 HA LYS 63 -2.479 12.021 5.923 480 HB2 LYS 63 2HB LYS 63 -4.167 9.878 4.634 481 HB3 LYS 63 1HB LYS 63 -3.320 9.676 6.162 482 HG2 LYS 63 2HG LYS 63 -4.498 11.626 7.105 483 HG3 LYS 63 1HG LYS 63 -5.402 11.824 5.606 484 HD2 LYS 63 2HD LYS 63 -6.919 10.566 6.736 485 HD3 LYS 63 1HD LYS 63 -5.959 9.218 6.102 486 HE2 LYS 63 2HE LYS 63 -4.543 9.756 8.360 487 HE3 LYS 63 1HE LYS 63 -6.122 10.315 8.878 488 HZ1 LYS 63 3HZ LYS 63 -5.591 7.623 7.735 489 HZ2 LYS 63 1HZ LYS 63 -7.047 8.159 8.418 490 HZ3 LYS 63 2HZ LYS 63 -5.676 7.996 9.377 491 H MET 64 H MET 64 -2.206 10.452 2.795 492 HA MET 64 HA MET 64 0.418 9.383 3.622 493 HB2 MET 64 2HB MET 64 -1.648 8.371 1.705 494 HB3 MET 64 1HB MET 64 0.034 8.060 1.373 495 HG2 MET 64 2HG MET 64 -0.908 6.215 2.694 496 HG3 MET 64 1HG MET 64 0.356 7.035 3.594 497 HE1 MET 64 3HE MET 64 -3.145 6.205 2.979 498 HE2 MET 64 1HE MET 64 -3.617 7.910 2.995 499 HE3 MET 64 2HE MET 64 -4.123 6.834 4.287 500 H VAL 65 H VAL 65 2.084 9.387 2.007 501 HA VAL 65 HA VAL 65 2.513 12.000 1.080 502 HB VAL 65 HB VAL 65 4.597 11.143 0.158 503 HG11 VAL 65 1HG1 VAL 65 4.121 11.352 2.702 504 HG12 VAL 65 2HG1 VAL 65 5.532 10.402 2.224 505 HG13 VAL 65 3HG1 VAL 65 4.029 9.597 2.688 506 HG21 VAL 65 3HG2 VAL 65 5.085 8.813 -0.014 507 HG22 VAL 65 1HG2 VAL 65 3.475 8.970 -0.716 508 HG23 VAL 65 2HG2 VAL 65 3.675 8.362 0.934 509 H LYS 66 H LYS 66 2.780 12.820 -0.991 510 HA LYS 66 HA LYS 66 0.695 12.590 -2.685 511 HB2 LYS 66 2HB LYS 66 2.259 14.401 -2.883 512 HB3 LYS 66 1HB LYS 66 3.542 13.338 -3.420 513 HG2 LYS 66 2HG LYS 66 1.022 13.230 -5.005 514 HG3 LYS 66 1HG LYS 66 1.946 14.731 -5.100 515 HD2 LYS 66 2HD LYS 66 4.015 13.220 -5.530 516 HD3 LYS 66 1HD LYS 66 2.851 11.949 -5.890 517 HE2 LYS 66 2HE LYS 66 3.387 14.507 -7.368 518 HE3 LYS 66 1HE LYS 66 3.211 12.873 -7.991 519 HZ1 LYS 66 3HZ LYS 66 1.307 14.383 -8.431 520 HZ2 LYS 66 1HZ LYS 66 0.910 14.364 -6.788 521 HZ3 LYS 66 2HZ LYS 66 0.887 12.927 -7.697 522 HA PRO 67 HA PRO 67 2.892 9.575 -5.761 523 HB2 PRO 67 2HB PRO 67 4.709 7.862 -4.669 524 HB3 PRO 67 1HB PRO 67 5.176 9.374 -5.456 525 HG2 PRO 67 2HG PRO 67 4.873 8.786 -2.554 526 HG3 PRO 67 1HG PRO 67 6.127 9.721 -3.366 527 HD2 PRO 67 2HD PRO 67 4.164 10.996 -2.098 528 HD3 PRO 67 1HD PRO 67 4.779 11.624 -3.635 529 H PHE 68 H PHE 68 2.510 8.790 -2.388 530 HA PHE 68 HA PHE 68 1.511 6.128 -2.623 531 HB2 PHE 68 2HB PHE 68 2.265 7.216 -0.466 532 HB3 PHE 68 1HB PHE 68 0.759 8.144 -0.497 533 HD1 PHE 68 2HD PHE 68 -1.451 6.907 -0.566 534 HD2 PHE 68 1HD PHE 68 2.311 4.988 0.277 535 HE1 PHE 68 2HE PHE 68 -2.646 4.977 0.399 536 HE2 PHE 68 1HE PHE 68 1.125 3.068 1.226 537 HZ PHE 68 HZ PHE 68 -1.364 3.044 1.290 538 H GLU 69 H GLU 69 -0.023 9.308 -2.406 539 HA GLU 69 HA GLU 69 -2.718 8.464 -2.531 540 HB2 GLU 69 2HB GLU 69 -1.397 11.049 -3.383 541 HB3 GLU 69 1HB GLU 69 -3.133 10.815 -3.328 542 HG2 GLU 69 2HG GLU 69 -3.052 10.361 -0.937 543 HG3 GLU 69 1HG GLU 69 -1.294 10.457 -0.934 544 H ASP 70 H ASP 70 -0.461 9.522 -5.039 545 HA ASP 70 HA ASP 70 -2.309 9.334 -7.149 546 HB2 ASP 70 2HB ASP 70 0.682 9.402 -7.044 547 HB3 ASP 70 1HB ASP 70 -0.102 8.983 -8.557 548 H ALA 71 H ALA 71 -0.102 6.999 -5.775 549 HA ALA 71 HA ALA 71 -0.661 4.887 -7.618 550 HB1 ALA 71 1HB ALA 71 0.410 4.970 -4.812 551 HB2 ALA 71 2HB ALA 71 1.265 4.550 -6.297 552 HB3 ALA 71 3HB ALA 71 0.077 3.436 -5.610 553 H ALA 72 H ALA 72 -2.066 5.916 -4.551 554 HA ALA 72 HA ALA 72 -3.809 3.781 -4.144 555 HB1 ALA 72 1HB ALA 72 -4.973 5.196 -2.582 556 HB2 ALA 72 2HB ALA 72 -4.339 6.649 -3.355 557 HB3 ALA 72 3HB ALA 72 -3.251 5.572 -2.482 558 H PHE 73 H PHE 73 -4.444 6.871 -5.763 559 HA PHE 73 HA PHE 73 -7.123 6.230 -6.414 560 HB2 PHE 73 2HB PHE 73 -5.224 8.251 -7.607 561 HB3 PHE 73 1HB PHE 73 -6.878 8.069 -8.177 562 HD1 PHE 73 2HD PHE 73 -8.780 8.114 -6.361 563 HD2 PHE 73 1HD PHE 73 -4.795 9.621 -5.731 564 HE1 PHE 73 2HE PHE 73 -9.589 9.468 -4.460 565 HE2 PHE 73 1HE PHE 73 -5.600 10.966 -3.840 566 HZ PHE 73 HZ PHE 73 -8.006 10.898 -3.190 567 H ARG 74 H ARG 74 -4.108 5.728 -8.123 568 HA ARG 74 HA ARG 74 -5.223 4.968 -10.597 569 HB2 ARG 74 2HB ARG 74 -2.555 4.368 -9.359 570 HB3 ARG 74 1HB ARG 74 -2.990 3.856 -10.987 571 HG2 ARG 74 2HG ARG 74 -3.450 6.200 -11.622 572 HG3 ARG 74 1HG ARG 74 -3.046 6.731 -10.002 573 HD2 ARG 74 2HD ARG 74 -1.120 7.056 -11.448 574 HD3 ARG 74 1HD ARG 74 -0.773 5.823 -10.239 575 HE ARG 74 HE ARG 74 -1.750 4.919 -12.879 576 HH11 ARG 74 1HH2 ARG 74 0.946 5.353 -10.672 577 HH12 ARG 74 2HH2 ARG 74 1.936 4.217 -11.440 578 HH21 ARG 74 1HH1 ARG 74 -0.418 3.407 -13.927 579 HH22 ARG 74 2HH1 ARG 74 1.152 3.091 -13.335 580 H LEU 75 H LEU 75 -4.396 2.985 -7.781 581 HA LEU 75 HA LEU 75 -5.091 0.584 -9.316 582 HB2 LEU 75 2HB LEU 75 -4.230 0.653 -6.433 583 HB3 LEU 75 1HB LEU 75 -4.240 -0.707 -7.520 584 HG LEU 75 HG LEU 75 -2.480 1.746 -7.818 585 HD11 LEU 75 1HD1 LEU 75 -0.892 -0.416 -7.570 586 HD12 LEU 75 2HD1 LEU 75 -2.213 -0.847 -6.494 587 HD13 LEU 75 3HD1 LEU 75 -1.317 0.655 -6.229 588 HD21 LEU 75 3HD2 LEU 75 -3.274 0.268 -9.980 589 HD22 LEU 75 1HD2 LEU 75 -2.009 -0.793 -9.349 590 HD23 LEU 75 2HD2 LEU 75 -1.644 0.860 -9.784 591 H GLN 76 H GLN 76 -7.085 2.630 -8.217 592 HA GLN 76 HA GLN 76 -8.633 1.386 -6.255 593 HB2 GLN 76 2HB GLN 76 -9.500 3.155 -8.556 594 HB3 GLN 76 1HB GLN 76 -10.574 2.645 -7.258 595 HG2 GLN 76 2HG GLN 76 -9.128 3.660 -5.587 596 HG3 GLN 76 1HG GLN 76 -7.966 4.132 -6.817 597 HE21 GLN 76 1HE2 GLN 76 -8.569 5.883 -8.266 598 HE22 GLN 76 2HE2 GLN 76 -9.888 6.902 -7.910 599 H VAL 77 H VAL 77 -8.051 0.489 -9.478 600 HA VAL 77 HA VAL 77 -10.348 -1.113 -9.913 601 HB VAL 77 HB VAL 77 -8.991 -0.371 -11.778 602 HG11 VAL 77 1HG1 VAL 77 -6.733 -1.744 -12.008 603 HG12 VAL 77 2HG1 VAL 77 -6.805 -1.708 -10.241 604 HG13 VAL 77 3HG1 VAL 77 -6.790 -0.209 -11.159 605 HG21 VAL 77 3HG2 VAL 77 -8.565 -3.369 -11.617 606 HG22 VAL 77 1HG2 VAL 77 -8.969 -2.383 -13.017 607 HG23 VAL 77 2HG2 VAL 77 -10.183 -2.687 -11.779 608 H GLY 78 H GLY 78 -7.415 -1.638 -8.054 609 HA2 GLY 78 2HA GLY 78 -7.802 -3.412 -6.237 610 HA3 GLY 78 1HA GLY 78 -8.259 -4.433 -7.572 611 H GLU 79 H GLU 79 -5.851 -2.608 -8.718 612 HA GLU 79 HA GLU 79 -4.089 -4.783 -8.954 613 HB2 GLU 79 2HB GLU 79 -3.819 -1.857 -9.485 614 HB3 GLU 79 1HB GLU 79 -2.557 -3.031 -9.812 615 HG2 GLU 79 2HG GLU 79 -4.133 -4.284 -11.261 616 HG3 GLU 79 1HG GLU 79 -5.361 -3.095 -10.956 617 H VAL 80 H VAL 80 -1.714 -4.436 -8.541 618 HA VAL 80 HA VAL 80 -1.156 -3.441 -5.809 619 HB VAL 80 HB VAL 80 0.208 -5.631 -7.439 620 HG11 VAL 80 1HG1 VAL 80 1.742 -5.871 -5.568 621 HG12 VAL 80 2HG1 VAL 80 1.041 -4.451 -4.789 622 HG13 VAL 80 3HG1 VAL 80 1.902 -4.284 -6.317 623 HG21 VAL 80 3HG2 VAL 80 -1.100 -5.717 -4.701 624 HG22 VAL 80 1HG2 VAL 80 -0.382 -7.070 -5.569 625 HG23 VAL 80 2HG2 VAL 80 -1.854 -6.312 -6.188 626 H SER 81 H SER 81 0.290 -1.766 -5.778 627 HA SER 81 HA SER 81 0.964 -0.498 -8.245 628 HB2 SER 81 2HB SER 81 2.403 0.889 -6.449 629 HB3 SER 81 1HB SER 81 0.693 1.125 -6.683 630 HG SER 81 HG SER 81 0.286 -0.204 -4.918 631 H GLU 82 H GLU 82 3.015 0.241 -8.857 632 HA GLU 82 HA GLU 82 5.087 -1.744 -8.864 633 HB2 GLU 82 2HB GLU 82 6.335 0.394 -9.874 634 HB3 GLU 82 1HB GLU 82 5.141 -0.481 -10.834 635 HG2 GLU 82 2HG GLU 82 3.507 1.180 -10.528 636 HG3 GLU 82 1HG GLU 82 4.264 1.763 -9.043 637 HA PRO 83 HA PRO 83 7.321 -0.276 -5.296 638 HB2 PRO 83 2HB PRO 83 9.495 0.946 -6.922 639 HB3 PRO 83 1HB PRO 83 9.616 -0.236 -5.602 640 HG2 PRO 83 2HG PRO 83 9.998 -1.056 -8.057 641 HG3 PRO 83 1HG PRO 83 8.973 -2.014 -6.957 642 HD2 PRO 83 2HD PRO 83 8.106 -0.129 -9.127 643 HD3 PRO 83 1HD PRO 83 7.495 -1.766 -8.766 644 H VAL 84 H VAL 84 6.874 1.559 -4.109 645 HA VAL 84 HA VAL 84 6.748 4.158 -5.519 646 HB VAL 84 HB VAL 84 5.140 3.050 -3.207 647 HG11 VAL 84 1HG1 VAL 84 5.588 5.892 -4.084 648 HG12 VAL 84 2HG1 VAL 84 5.449 5.220 -2.456 649 HG13 VAL 84 3HG1 VAL 84 4.014 5.417 -3.446 650 HG21 VAL 84 3HG2 VAL 84 4.404 2.517 -5.546 651 HG22 VAL 84 1HG2 VAL 84 4.248 4.248 -5.857 652 HG23 VAL 84 2HG2 VAL 84 3.229 3.467 -4.651 653 H LYS 85 H LYS 85 8.199 5.608 -4.845 654 HA LYS 85 HA LYS 85 9.765 4.868 -2.500 655 HB2 LYS 85 2HB LYS 85 11.006 5.333 -4.604 656 HB3 LYS 85 1HB LYS 85 10.389 6.977 -4.571 657 HG2 LYS 85 2HG LYS 85 12.615 6.971 -3.594 658 HG3 LYS 85 1HG LYS 85 11.449 7.346 -2.340 659 HD2 LYS 85 2HD LYS 85 11.537 5.052 -1.474 660 HD3 LYS 85 1HD LYS 85 12.508 4.529 -2.840 661 HE2 LYS 85 2HE LYS 85 13.935 4.856 -0.900 662 HE3 LYS 85 1HE LYS 85 14.326 6.082 -2.105 663 HZ1 LYS 85 3HZ LYS 85 12.390 6.639 0.135 664 HZ2 LYS 85 1HZ LYS 85 13.147 7.692 -0.918 665 HZ3 LYS 85 2HZ LYS 85 14.025 6.890 0.260 666 H SER 86 H SER 86 9.876 6.003 -0.676 667 HA SER 86 HA SER 86 8.664 8.662 -0.562 668 HB2 SER 86 2HB SER 86 7.545 8.086 1.469 669 HB3 SER 86 1HB SER 86 7.131 6.833 0.321 670 HG SER 86 HG SER 86 8.037 5.467 1.651 671 H GLU 87 H GLU 87 9.411 9.661 1.549 672 HA GLU 87 HA GLU 87 12.248 9.500 1.849 673 HB2 GLU 87 2HB GLU 87 11.347 10.569 4.254 674 HB3 GLU 87 1HB GLU 87 11.755 11.492 2.830 675 HG2 GLU 87 2HG GLU 87 8.963 10.387 3.335 676 HG3 GLU 87 1HG GLU 87 9.472 12.004 3.774 677 H PHE 88 H PHE 88 9.490 8.023 3.326 678 HA PHE 88 HA PHE 88 10.729 6.745 5.532 679 HB2 PHE 88 2HB PHE 88 8.219 6.167 3.974 680 HB3 PHE 88 1HB PHE 88 8.729 5.144 5.290 681 HD1 PHE 88 1HD PHE 88 9.283 6.350 7.570 682 HD2 PHE 88 2HD PHE 88 6.955 8.127 4.415 683 HE1 PHE 88 1HE PHE 88 8.308 7.950 9.183 684 HE2 PHE 88 2HE PHE 88 5.978 9.726 6.041 685 HZ PHE 88 HZ PHE 88 6.656 9.634 8.423 686 H GLY 89 H GLY 89 10.137 5.696 2.180 687 HA2 GLY 89 2HA GLY 89 12.330 4.130 1.763 688 HA3 GLY 89 1HA GLY 89 11.277 3.093 2.702 689 H TYR 90 H TYR 90 10.865 1.619 1.081 690 HA TYR 90 HA TYR 90 9.530 2.610 -1.336 691 HB2 TYR 90 2HB TYR 90 11.202 0.273 -0.683 692 HB3 TYR 90 1HB TYR 90 9.917 -0.048 -1.811 693 HD1 TYR 90 1HD TYR 90 9.626 1.872 -3.693 694 HD2 TYR 90 2HD TYR 90 13.264 1.033 -1.558 695 HE1 TYR 90 1HE TYR 90 10.922 2.921 -5.501 696 HE2 TYR 90 2HE TYR 90 14.567 2.079 -3.357 697 HH TYR 90 HH TYR 90 12.941 3.480 -6.223 698 H HIS 91 H HIS 91 7.427 2.234 -1.636 699 HA HIS 91 HA HIS 91 6.043 0.453 0.279 700 HB2 HIS 91 2HB HIS 91 4.921 2.846 -1.176 701 HB3 HIS 91 1HB HIS 91 4.064 1.834 -0.026 702 HD1 HIS 91 1HD HIS 91 4.208 2.526 2.377 703 HD2 HIS 91 2HD HIS 91 7.203 4.272 0.070 704 HE1 HIS 91 1HE HIS 91 5.374 4.176 3.878 705 H VAL 92 H VAL 92 4.546 -0.935 -0.486 706 HA VAL 92 HA VAL 92 3.952 -0.953 -3.376 707 HB VAL 92 HB VAL 92 4.262 -3.326 -1.494 708 HG11 VAL 92 1HG1 VAL 92 3.024 -3.134 -4.247 709 HG12 VAL 92 2HG1 VAL 92 2.330 -3.834 -2.780 710 HG13 VAL 92 3HG1 VAL 92 3.661 -4.648 -3.603 711 HG21 VAL 92 3HG2 VAL 92 5.904 -4.069 -3.237 712 HG22 VAL 92 1HG2 VAL 92 6.361 -2.546 -2.480 713 HG23 VAL 92 2HG2 VAL 92 5.652 -2.549 -4.090 714 H ILE 93 H ILE 93 1.802 -0.563 -3.723 715 HA ILE 93 HA ILE 93 0.020 -0.668 -1.362 716 HB ILE 93 HB ILE 93 0.022 1.224 -3.721 717 HG12 ILE 93 2HG1 ILE 93 0.562 1.820 -0.802 718 HG13 ILE 93 1HG1 ILE 93 1.865 1.515 -1.959 719 HG21 ILE 93 1HG2 ILE 93 -1.726 2.414 -2.516 720 HG22 ILE 93 2HG2 ILE 93 -1.678 1.241 -1.209 721 HG23 ILE 93 3HG2 ILE 93 -2.266 0.762 -2.804 722 HD11 ILE 93 3HD1 ILE 93 -0.185 3.740 -2.033 723 HD12 ILE 93 1HD1 ILE 93 0.861 3.331 -3.388 724 HD13 ILE 93 2HD1 ILE 93 1.567 3.883 -1.866 725 H LYS 94 H LYS 94 -1.755 -1.854 -1.533 726 HA LYS 94 HA LYS 94 -2.807 -2.514 -4.207 727 HB2 LYS 94 2HB LYS 94 -1.851 -4.561 -3.095 728 HB3 LYS 94 1HB LYS 94 -2.990 -4.335 -1.776 729 HG2 LYS 94 2HG LYS 94 -4.902 -4.562 -3.282 730 HG3 LYS 94 1HG LYS 94 -3.832 -4.688 -4.690 731 HD2 LYS 94 2HD LYS 94 -2.894 -6.802 -3.676 732 HD3 LYS 94 1HD LYS 94 -4.037 -6.614 -2.360 733 HE2 LYS 94 2HE LYS 94 -4.916 -8.172 -4.039 734 HE3 LYS 94 1HE LYS 94 -5.941 -6.749 -3.921 735 HZ1 LYS 94 3HZ LYS 94 -5.395 -7.539 -6.196 736 HZ2 LYS 94 1HZ LYS 94 -3.807 -7.095 -5.995 737 HZ3 LYS 94 2HZ LYS 94 -5.086 -5.937 -6.027 738 H ARG 95 H ARG 95 -5.110 -2.838 -4.237 739 HA ARG 95 HA ARG 95 -6.513 -0.762 -2.823 740 HB2 ARG 95 2HB ARG 95 -6.979 -1.680 -5.195 741 HB3 ARG 95 1HB ARG 95 -7.790 -3.006 -4.333 742 HG2 ARG 95 2HG ARG 95 -9.077 -1.110 -3.100 743 HG3 ARG 95 1HG ARG 95 -8.541 -0.082 -4.430 744 HD2 ARG 95 2HD ARG 95 -9.423 -1.891 -6.010 745 HD3 ARG 95 1HD ARG 95 -10.242 -2.589 -4.626 746 HE ARG 95 HE ARG 95 -11.021 -0.398 -6.188 747 HH11 ARG 95 1HH2 ARG 95 -10.901 -1.352 -2.762 748 HH12 ARG 95 2HH2 ARG 95 -12.331 -0.502 -2.399 749 HH21 ARG 95 1HH1 ARG 95 -12.978 0.701 -5.574 750 HH22 ARG 95 2HH1 ARG 95 -13.484 0.657 -3.940 751 H LEU 96 H LEU 96 -8.031 -1.010 -1.225 752 HA LEU 96 HA LEU 96 -8.304 -3.656 0.013 753 HB2 LEU 96 2HB LEU 96 -7.248 -1.930 1.480 754 HB3 LEU 96 1HB LEU 96 -8.663 -0.914 1.268 755 HG LEU 96 HG LEU 96 -10.074 -2.728 2.172 756 HD11 LEU 96 1HD1 LEU 96 -8.856 -4.705 1.808 757 HD12 LEU 96 2HD1 LEU 96 -8.705 -4.467 3.551 758 HD13 LEU 96 3HD1 LEU 96 -7.369 -4.043 2.485 759 HD21 LEU 96 3HD2 LEU 96 -8.849 -2.598 4.563 760 HD22 LEU 96 1HD2 LEU 96 -9.692 -1.226 3.862 761 HD23 LEU 96 2HD2 LEU 96 -7.927 -1.346 3.746 762 H GLY 97 H GLY 97 -10.419 -4.384 0.376 763 HA2 GLY 97 2HA GLY 97 -12.554 -2.757 -0.894 764 HA3 GLY 97 1HA GLY 97 -12.344 -4.489 -1.127 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -17.190 15.030 -10.740 2 HA2 GLY 1 2HA GLY 1 -16.805 12.793 -9.593 3 HA3 GLY 1 1HA GLY 1 -15.132 13.317 -9.477 4 HA PRO 2 HA PRO 2 -18.136 15.544 -6.302 5 HB2 PRO 2 2HB PRO 2 -18.747 13.751 -4.459 6 HB3 PRO 2 1HB PRO 2 -19.769 13.946 -5.879 7 HG2 PRO 2 2HG PRO 2 -17.770 11.814 -5.293 8 HG3 PRO 2 1HG PRO 2 -19.318 11.707 -6.139 9 HD2 PRO 2 2HD PRO 2 -16.872 11.808 -7.400 10 HD3 PRO 2 1HD PRO 2 -18.407 12.245 -8.175 11 H MET 3 H MET 3 -17.173 16.419 -4.509 12 HA MET 3 HA MET 3 -14.720 15.144 -3.476 13 HB2 MET 3 2HB MET 3 -15.442 18.064 -3.726 14 HB3 MET 3 1HB MET 3 -14.045 17.507 -2.825 15 HG2 MET 3 2HG MET 3 -13.180 16.395 -4.895 16 HG3 MET 3 1HG MET 3 -14.567 17.021 -5.777 17 HE1 MET 3 3HE MET 3 -12.186 18.891 -2.958 18 HE2 MET 3 1HE MET 3 -10.903 19.133 -4.156 19 HE3 MET 3 2HE MET 3 -11.509 17.523 -3.820 20 H GLY 4 H GLY 4 -14.376 15.271 -1.226 21 HA2 GLY 4 2HA GLY 4 -15.048 15.281 0.999 22 HA3 GLY 4 1HA GLY 4 -16.519 16.138 0.526 23 H SER 5 H SER 5 -16.036 13.660 -1.563 24 HA SER 5 HA SER 5 -18.240 12.126 -0.595 25 HB2 SER 5 2HB SER 5 -17.623 10.730 -2.652 26 HB3 SER 5 1HB SER 5 -18.122 12.390 -2.917 27 HG SER 5 HG SER 5 -16.214 12.581 -3.904 28 H MET 6 H MET 6 -17.918 9.631 -0.679 29 HA MET 6 HA MET 6 -16.163 8.903 1.427 30 HB2 MET 6 2HB MET 6 -17.586 7.160 -0.615 31 HB3 MET 6 1HB MET 6 -16.767 6.562 0.813 32 HG2 MET 6 2HG MET 6 -19.095 8.516 0.860 33 HG3 MET 6 1HG MET 6 -19.180 6.803 1.252 34 HE1 MET 6 3HE MET 6 -19.624 8.638 4.645 35 HE2 MET 6 1HE MET 6 -20.118 7.173 3.781 36 HE3 MET 6 2HE MET 6 -20.331 8.753 3.043 37 H ALA 7 H ALA 7 -15.951 8.793 -2.054 38 HA ALA 7 HA ALA 7 -13.502 7.339 -2.214 39 HB1 ALA 7 1HB ALA 7 -14.774 7.369 -4.183 40 HB2 ALA 7 2HB ALA 7 -13.378 8.388 -4.518 41 HB3 ALA 7 3HB ALA 7 -14.943 9.132 -4.179 42 H ASP 8 H ASP 8 -14.054 10.211 -0.773 43 HA ASP 8 HA ASP 8 -11.842 11.863 -1.499 44 HB2 ASP 8 2HB ASP 8 -13.585 12.711 0.004 45 HB3 ASP 8 1HB ASP 8 -13.246 11.420 1.148 46 H LYS 9 H LYS 9 -12.339 9.109 0.510 47 HA LYS 9 HA LYS 9 -9.499 9.057 1.204 48 HB2 LYS 9 2HB LYS 9 -11.889 7.784 2.533 49 HB3 LYS 9 1HB LYS 9 -10.213 7.722 3.130 50 HG2 LYS 9 2HG LYS 9 -10.109 10.156 3.223 51 HG3 LYS 9 1HG LYS 9 -11.746 10.286 2.608 52 HD2 LYS 9 2HD LYS 9 -12.527 9.017 4.652 53 HD3 LYS 9 1HD LYS 9 -10.899 9.169 5.303 54 HE2 LYS 9 2HE LYS 9 -12.911 11.337 4.763 55 HE3 LYS 9 1HE LYS 9 -11.906 11.071 6.180 56 HZ1 LYS 9 3HZ LYS 9 -9.956 11.522 4.612 57 HZ2 LYS 9 1HZ LYS 9 -10.880 12.820 5.154 58 HZ3 LYS 9 2HZ LYS 9 -11.118 12.246 3.575 59 H ILE 10 H ILE 10 -8.392 7.127 1.030 60 HA ILE 10 HA ILE 10 -9.433 5.461 -1.150 61 HB ILE 10 HB ILE 10 -6.566 5.619 -0.233 62 HG12 ILE 10 2HG1 ILE 10 -7.942 7.238 -2.354 63 HG13 ILE 10 1HG1 ILE 10 -7.435 7.915 -0.810 64 HG21 ILE 10 1HG2 ILE 10 -7.743 5.014 -2.941 65 HG22 ILE 10 2HG2 ILE 10 -7.347 3.759 -1.756 66 HG23 ILE 10 3HG2 ILE 10 -6.082 4.798 -2.410 67 HD11 ILE 10 3HD1 ILE 10 -5.886 7.395 -3.213 68 HD12 ILE 10 1HD1 ILE 10 -5.168 6.610 -1.809 69 HD13 ILE 10 2HD1 ILE 10 -5.445 8.352 -1.792 70 H LYS 11 H LYS 11 -9.856 3.385 -0.804 71 HA LYS 11 HA LYS 11 -9.301 2.224 1.821 72 HB2 LYS 11 2HB LYS 11 -10.748 1.051 -0.539 73 HB3 LYS 11 1HB LYS 11 -10.783 0.499 1.125 74 HG2 LYS 11 2HG LYS 11 -11.955 2.457 1.862 75 HG3 LYS 11 1HG LYS 11 -11.729 3.285 0.326 76 HD2 LYS 11 2HD LYS 11 -13.988 2.446 0.366 77 HD3 LYS 11 1HD LYS 11 -13.074 1.519 -0.789 78 HE2 LYS 11 2HE LYS 11 -12.897 -0.377 0.573 79 HE3 LYS 11 1HE LYS 11 -13.191 0.504 2.049 80 HZ1 LYS 11 3HZ LYS 11 -15.368 0.527 1.753 81 HZ2 LYS 11 1HZ LYS 11 -15.003 -0.953 0.990 82 HZ3 LYS 11 2HZ LYS 11 -15.341 0.440 0.036 83 H CYS 12 H CYS 12 -7.168 1.537 1.861 84 HA CYS 12 HA CYS 12 -6.394 -0.426 -0.168 85 HB2 CYS 12 2HB CYS 12 -4.856 0.775 -1.226 86 HB3 CYS 12 1HB CYS 12 -5.614 2.194 -0.510 87 HG CYS 12 HG CYS 12 -3.160 2.348 0.236 88 H SER 13 H SER 13 -4.302 -1.343 0.175 89 HA SER 13 HA SER 13 -3.540 -1.563 3.003 90 HB2 SER 13 2HB SER 13 -3.431 -3.851 1.046 91 HB3 SER 13 1HB SER 13 -3.242 -3.944 2.786 92 HG SER 13 HG SER 13 -5.327 -4.568 2.159 93 H HIS 14 H HIS 14 -1.342 -1.294 3.323 94 HA HIS 14 HA HIS 14 0.269 -1.253 0.880 95 HB2 HIS 14 2HB HIS 14 0.955 0.866 1.119 96 HB3 HIS 14 1HB HIS 14 -0.463 1.052 2.107 97 HD2 HIS 14 2HD HIS 14 0.459 0.082 5.026 98 HE1 HIS 14 1HE HIS 14 3.926 2.412 4.484 99 HE2 HIS 14 2HE HIS 14 2.461 1.306 6.204 100 H ILE 15 H ILE 15 2.427 -1.667 1.030 101 HA ILE 15 HA ILE 15 3.361 -2.891 3.544 102 HB ILE 15 HB ILE 15 3.839 -3.833 0.700 103 HG12 ILE 15 2HG1 ILE 15 2.476 -5.239 3.006 104 HG13 ILE 15 1HG1 ILE 15 1.597 -4.320 1.797 105 HG21 ILE 15 1HG2 ILE 15 5.415 -4.218 3.089 106 HG22 ILE 15 2HG2 ILE 15 5.669 -4.908 1.481 107 HG23 ILE 15 3HG2 ILE 15 4.642 -5.734 2.639 108 HD11 ILE 15 3HD1 ILE 15 2.164 -5.783 0.063 109 HD12 ILE 15 1HD1 ILE 15 1.859 -6.871 1.407 110 HD13 ILE 15 2HD1 ILE 15 3.521 -6.491 0.953 111 H LEU 16 H LEU 16 5.147 -1.937 4.249 112 HA LEU 16 HA LEU 16 6.622 -0.136 2.439 113 HB2 LEU 16 2HB LEU 16 5.679 0.850 4.526 114 HB3 LEU 16 1HB LEU 16 6.670 -0.276 5.445 115 HG LEU 16 HG LEU 16 8.721 0.672 4.463 116 HD11 LEU 16 1HD1 LEU 16 6.762 2.082 2.740 117 HD12 LEU 16 2HD1 LEU 16 8.398 1.521 2.415 118 HD13 LEU 16 3HD1 LEU 16 8.151 3.025 3.290 119 HD21 LEU 16 3HD2 LEU 16 7.192 3.097 5.355 120 HD22 LEU 16 1HD2 LEU 16 8.785 2.543 5.837 121 HD23 LEU 16 2HD2 LEU 16 7.348 1.766 6.496 122 H VAL 17 H VAL 17 8.572 -0.712 1.773 123 HA VAL 17 HA VAL 17 10.127 -2.573 3.396 124 HB VAL 17 HB VAL 17 10.793 -3.776 1.349 125 HG11 VAL 17 1HG1 VAL 17 8.819 -4.416 2.887 126 HG12 VAL 17 2HG1 VAL 17 8.828 -5.151 1.280 127 HG13 VAL 17 3HG1 VAL 17 7.776 -3.788 1.617 128 HG21 VAL 17 3HG2 VAL 17 9.202 -3.499 -0.629 129 HG22 VAL 17 1HG2 VAL 17 10.356 -2.190 -0.397 130 HG23 VAL 17 2HG2 VAL 17 8.667 -2.000 0.110 131 H LYS 18 H LYS 18 12.346 -2.554 2.993 132 HA LYS 18 HA LYS 18 13.320 0.110 2.395 133 HB2 LYS 18 2HB LYS 18 15.592 -1.001 3.030 134 HB3 LYS 18 1HB LYS 18 14.415 -0.694 4.296 135 HG2 LYS 18 2HG LYS 18 14.214 -3.371 2.923 136 HG3 LYS 18 1HG LYS 18 15.619 -3.095 3.939 137 HD2 LYS 18 2HD LYS 18 14.139 -2.376 5.800 138 HD3 LYS 18 1HD LYS 18 12.724 -2.789 4.855 139 HE2 LYS 18 2HE LYS 18 14.884 -4.658 5.882 140 HE3 LYS 18 1HE LYS 18 13.180 -4.645 6.260 141 HZ1 LYS 18 3HZ LYS 18 14.468 -5.638 3.784 142 HZ2 LYS 18 1HZ LYS 18 12.900 -5.058 3.678 143 HZ3 LYS 18 2HZ LYS 18 13.259 -6.303 4.721 144 H LYS 19 H LYS 19 13.125 -2.913 0.831 145 HA LYS 19 HA LYS 19 15.039 -2.079 -1.265 146 HB2 LYS 19 2HB LYS 19 14.003 -4.736 -0.399 147 HB3 LYS 19 1HB LYS 19 14.942 -4.542 -1.869 148 HG2 LYS 19 2HG LYS 19 15.932 -3.628 0.856 149 HG3 LYS 19 1HG LYS 19 16.254 -5.237 0.245 150 HD2 LYS 19 2HD LYS 19 17.106 -3.990 -1.888 151 HD3 LYS 19 1HD LYS 19 17.224 -2.598 -0.818 152 HE2 LYS 19 2HE LYS 19 18.763 -3.769 0.670 153 HE3 LYS 19 1HE LYS 19 18.487 -5.283 -0.184 154 HZ1 LYS 19 3HZ LYS 19 20.488 -4.472 -1.046 155 HZ2 LYS 19 1HZ LYS 19 19.919 -2.894 -1.175 156 HZ3 LYS 19 2HZ LYS 19 19.344 -4.069 -2.222 157 H GLN 20 H GLN 20 14.434 -1.974 -3.326 158 HA GLN 20 HA GLN 20 11.695 -1.831 -4.099 159 HB2 GLN 20 2HB GLN 20 13.400 -0.553 -5.279 160 HB3 GLN 20 1HB GLN 20 14.231 -2.027 -5.773 161 HG2 GLN 20 2HG GLN 20 12.296 -2.692 -7.116 162 HG3 GLN 20 1HG GLN 20 11.389 -1.295 -6.533 163 HE21 GLN 20 1HE2 GLN 20 12.360 -2.003 -9.359 164 HE22 GLN 20 2HE2 GLN 20 13.213 -0.624 -9.846 165 H GLY 21 H GLY 21 14.227 -4.277 -4.298 166 HA2 GLY 21 2HA GLY 21 12.825 -6.168 -5.838 167 HA3 GLY 21 1HA GLY 21 14.140 -6.557 -4.718 168 H GLU 22 H GLU 22 12.783 -5.451 -2.415 169 HA GLU 22 HA GLU 22 11.182 -7.675 -1.613 170 HB2 GLU 22 2HB GLU 22 11.600 -4.922 -0.389 171 HB3 GLU 22 1HB GLU 22 10.656 -6.196 0.348 172 HG2 GLU 22 2HG GLU 22 12.548 -7.651 0.544 173 HG3 GLU 22 1HG GLU 22 13.573 -6.608 -0.441 174 H ALA 23 H ALA 23 10.517 -4.378 -2.667 175 HA ALA 23 HA ALA 23 7.708 -4.463 -2.385 176 HB1 ALA 23 1HB ALA 23 8.710 -2.327 -2.778 177 HB2 ALA 23 2HB ALA 23 7.700 -2.679 -4.179 178 HB3 ALA 23 3HB ALA 23 9.447 -2.874 -4.285 179 H LEU 24 H LEU 24 9.789 -5.255 -5.143 180 HA LEU 24 HA LEU 24 7.705 -6.093 -6.886 181 HB2 LEU 24 2HB LEU 24 10.663 -6.609 -6.782 182 HB3 LEU 24 1HB LEU 24 9.660 -7.575 -7.850 183 HG LEU 24 HG LEU 24 10.705 -5.465 -8.856 184 HD11 LEU 24 1HD1 LEU 24 7.929 -6.439 -9.083 185 HD12 LEU 24 2HD1 LEU 24 9.160 -6.172 -10.315 186 HD13 LEU 24 3HD1 LEU 24 8.212 -4.819 -9.721 187 HD21 LEU 24 3HD2 LEU 24 10.141 -3.976 -6.889 188 HD22 LEU 24 1HD2 LEU 24 8.437 -4.119 -7.354 189 HD23 LEU 24 2HD2 LEU 24 9.593 -3.370 -8.449 190 H ALA 25 H ALA 25 9.669 -7.799 -4.501 191 HA ALA 25 HA ALA 25 8.861 -10.393 -5.089 192 HB1 ALA 25 1HB ALA 25 9.741 -11.048 -3.028 193 HB2 ALA 25 2HB ALA 25 9.367 -9.512 -2.254 194 HB3 ALA 25 3HB ALA 25 10.678 -9.614 -3.431 195 H VAL 26 H VAL 26 7.437 -8.134 -2.716 196 HA VAL 26 HA VAL 26 5.336 -9.907 -2.014 197 HB VAL 26 HB VAL 26 4.281 -8.060 -0.890 198 HG11 VAL 26 1HG1 VAL 26 6.734 -8.981 -0.264 199 HG12 VAL 26 2HG1 VAL 26 5.924 -7.733 0.690 200 HG13 VAL 26 3HG1 VAL 26 7.121 -7.283 -0.517 201 HG21 VAL 26 3HG2 VAL 26 4.971 -5.757 -1.174 202 HG22 VAL 26 1HG2 VAL 26 4.598 -6.378 -2.780 203 HG23 VAL 26 2HG2 VAL 26 6.278 -6.222 -2.244 204 H GLN 27 H GLN 27 5.577 -7.340 -4.393 205 HA GLN 27 HA GLN 27 2.892 -7.280 -5.221 206 HB2 GLN 27 2HB GLN 27 5.475 -6.754 -6.689 207 HB3 GLN 27 1HB GLN 27 3.894 -6.471 -7.411 208 HG2 GLN 27 2HG GLN 27 3.305 -4.865 -5.779 209 HG3 GLN 27 1HG GLN 27 4.656 -5.290 -4.731 210 HE21 GLN 27 1HE2 GLN 27 4.608 -2.738 -5.218 211 HE22 GLN 27 2HE2 GLN 27 5.711 -2.224 -6.405 212 H GLU 28 H GLU 28 5.610 -9.152 -6.523 213 HA GLU 28 HA GLU 28 3.994 -10.664 -8.306 214 HB2 GLU 28 2HB GLU 28 6.753 -11.152 -7.176 215 HB3 GLU 28 1HB GLU 28 5.948 -12.195 -8.360 216 HG2 GLU 28 2HG GLU 28 6.389 -9.229 -8.770 217 HG3 GLU 28 1HG GLU 28 7.479 -10.450 -9.391 218 H ARG 29 H ARG 29 5.032 -11.153 -4.971 219 HA ARG 29 HA ARG 29 4.129 -13.816 -4.812 220 HB2 ARG 29 2HB ARG 29 5.699 -12.683 -3.147 221 HB3 ARG 29 1HB ARG 29 4.258 -11.926 -2.456 222 HG2 ARG 29 2HG ARG 29 3.271 -14.091 -1.996 223 HG3 ARG 29 1HG ARG 29 4.590 -14.909 -2.816 224 HD2 ARG 29 2HD ARG 29 6.187 -13.916 -1.148 225 HD3 ARG 29 1HD ARG 29 4.795 -13.297 -0.258 226 HE ARG 29 HE ARG 29 4.365 -16.040 -0.649 227 HH11 ARG 29 1HH2 ARG 29 6.642 -13.961 0.929 228 HH12 ARG 29 2HH2 ARG 29 7.041 -15.075 2.161 229 HH21 ARG 29 1HH1 ARG 29 4.843 -17.522 0.927 230 HH22 ARG 29 2HH1 ARG 29 6.004 -17.169 2.160 231 H LEU 30 H LEU 30 2.486 -10.743 -4.376 232 HA LEU 30 HA LEU 30 0.012 -11.796 -3.437 233 HB2 LEU 30 2HB LEU 30 0.923 -9.227 -4.666 234 HB3 LEU 30 1HB LEU 30 -0.782 -9.594 -4.790 235 HG LEU 30 HG LEU 30 0.047 -8.251 -2.737 236 HD11 LEU 30 1HD1 LEU 30 -1.526 -10.094 -1.365 237 HD12 LEU 30 2HD1 LEU 30 -1.975 -10.334 -3.039 238 HD13 LEU 30 3HD1 LEU 30 -2.108 -8.736 -2.323 239 HD21 LEU 30 3HD2 LEU 30 0.429 -10.877 -1.355 240 HD22 LEU 30 1HD2 LEU 30 1.171 -9.320 -1.040 241 HD23 LEU 30 2HD2 LEU 30 1.799 -10.330 -2.323 242 H LYS 31 H LYS 31 1.461 -11.212 -6.559 243 HA LYS 31 HA LYS 31 -0.786 -12.010 -8.100 244 HB2 LYS 31 2HB LYS 31 2.153 -12.218 -8.846 245 HB3 LYS 31 1HB LYS 31 0.789 -12.304 -9.936 246 HG2 LYS 31 2HG LYS 31 1.548 -9.886 -8.272 247 HG3 LYS 31 1HG LYS 31 1.741 -10.027 -9.996 248 HD2 LYS 31 2HD LYS 31 -0.967 -10.583 -9.675 249 HD3 LYS 31 1HD LYS 31 -0.655 -9.509 -8.373 250 HE2 LYS 31 2HE LYS 31 -1.279 -8.189 -10.359 251 HE3 LYS 31 1HE LYS 31 0.349 -7.801 -9.818 252 HZ1 LYS 31 3HZ LYS 31 -0.507 -9.357 -12.168 253 HZ2 LYS 31 1HZ LYS 31 1.046 -9.622 -11.579 254 HZ3 LYS 31 2HZ LYS 31 0.575 -8.103 -12.093 255 H ALA 32 H ALA 32 1.827 -13.718 -6.532 256 HA ALA 32 HA ALA 32 1.423 -16.260 -7.689 257 HB1 ALA 32 1HB ALA 32 3.348 -15.402 -6.075 258 HB2 ALA 32 2HB ALA 32 2.891 -17.099 -6.112 259 HB3 ALA 32 3HB ALA 32 2.295 -16.067 -4.825 260 H GLY 33 H GLY 33 -0.361 -14.487 -5.336 261 HA2 GLY 33 2HA GLY 33 -2.676 -15.086 -5.023 262 HA3 GLY 33 1HA GLY 33 -2.218 -16.783 -5.058 263 H GLU 34 H GLU 34 0.039 -14.997 -3.285 264 HA GLU 34 HA GLU 34 -1.025 -16.068 -0.803 265 HB2 GLU 34 2HB GLU 34 1.465 -14.442 -1.296 266 HB3 GLU 34 1HB GLU 34 1.059 -15.242 0.210 267 HG2 GLU 34 2HG GLU 34 0.785 -17.347 -1.522 268 HG3 GLU 34 1HG GLU 34 2.036 -16.429 -2.336 269 H LYS 35 H LYS 35 -1.531 -14.816 1.031 270 HA LYS 35 HA LYS 35 -3.105 -12.642 0.342 271 HB2 LYS 35 2HB LYS 35 -3.373 -14.272 2.321 272 HB3 LYS 35 1HB LYS 35 -2.337 -13.159 3.207 273 HG2 LYS 35 2HG LYS 35 -3.892 -11.299 2.758 274 HG3 LYS 35 1HG LYS 35 -4.883 -12.353 1.757 275 HD2 LYS 35 2HD LYS 35 -5.452 -13.739 3.705 276 HD3 LYS 35 1HD LYS 35 -4.366 -12.794 4.713 277 HE2 LYS 35 2HE LYS 35 -6.708 -12.084 4.992 278 HE3 LYS 35 1HE LYS 35 -5.701 -10.777 4.372 279 HZ1 LYS 35 3HZ LYS 35 -7.905 -11.140 3.287 280 HZ2 LYS 35 1HZ LYS 35 -7.337 -12.544 2.594 281 HZ3 LYS 35 2HZ LYS 35 -6.664 -11.008 2.216 282 H PHE 36 H PHE 36 -2.929 -10.530 0.514 283 HA PHE 36 HA PHE 36 -0.487 -9.197 0.367 284 HB2 PHE 36 2HB PHE 36 -2.780 -8.329 -0.317 285 HB3 PHE 36 1HB PHE 36 -3.116 -8.053 1.378 286 HD1 PHE 36 1HD PHE 36 -1.073 -7.020 -1.503 287 HD2 PHE 36 2HD PHE 36 -2.019 -6.254 2.609 288 HE1 PHE 36 1HE PHE 36 0.077 -4.823 -1.650 289 HE2 PHE 36 2HE PHE 36 -0.870 -4.054 2.451 290 HZ PHE 36 HZ PHE 36 0.171 -3.348 0.324 291 H GLY 37 H GLY 37 -2.692 -9.774 3.039 292 HA2 GLY 37 2HA GLY 37 -1.330 -8.408 5.054 293 HA3 GLY 37 1HA GLY 37 -2.432 -9.783 5.294 294 H LYS 38 H LYS 38 -0.861 -11.683 3.809 295 HA LYS 38 HA LYS 38 0.871 -12.602 5.861 296 HB2 LYS 38 2HB LYS 38 -0.120 -14.049 4.077 297 HB3 LYS 38 1HB LYS 38 0.952 -13.297 2.899 298 HG2 LYS 38 2HG LYS 38 2.921 -14.076 4.211 299 HG3 LYS 38 1HG LYS 38 1.827 -14.858 5.357 300 HD2 LYS 38 2HD LYS 38 0.912 -16.258 3.531 301 HD3 LYS 38 1HD LYS 38 2.031 -15.491 2.403 302 HE2 LYS 38 2HE LYS 38 3.951 -16.355 3.689 303 HE3 LYS 38 1HE LYS 38 2.853 -17.081 4.856 304 HZ1 LYS 38 3HZ LYS 38 2.115 -18.655 3.301 305 HZ2 LYS 38 1HZ LYS 38 3.748 -18.544 2.914 306 HZ3 LYS 38 2HZ LYS 38 2.604 -17.739 1.979 307 H LEU 39 H LEU 39 1.419 -11.009 2.782 308 HA LEU 39 HA LEU 39 4.224 -10.674 3.014 309 HB2 LEU 39 2HB LEU 39 2.084 -9.261 1.405 310 HB3 LEU 39 1HB LEU 39 3.737 -8.691 1.421 311 HG LEU 39 HG LEU 39 3.356 -10.222 -0.482 312 HD11 LEU 39 1HD1 LEU 39 5.078 -11.827 1.316 313 HD12 LEU 39 2HD1 LEU 39 5.518 -10.140 1.081 314 HD13 LEU 39 3HD1 LEU 39 5.402 -11.223 -0.304 315 HD21 LEU 39 3HD2 LEU 39 2.805 -12.532 -0.172 316 HD22 LEU 39 1HD2 LEU 39 1.622 -11.627 0.762 317 HD23 LEU 39 2HD2 LEU 39 2.974 -12.425 1.576 318 H ALA 40 H ALA 40 1.416 -8.679 3.953 319 HA ALA 40 HA ALA 40 2.820 -6.428 4.637 320 HB1 ALA 40 1HB ALA 40 0.378 -6.518 4.322 321 HB2 ALA 40 2HB ALA 40 0.860 -5.722 5.827 322 HB3 ALA 40 3HB ALA 40 0.265 -7.392 5.858 323 H LYS 41 H LYS 41 1.835 -9.219 6.562 324 HA LYS 41 HA LYS 41 2.781 -8.355 9.099 325 HB2 LYS 41 2HB LYS 41 2.378 -11.119 7.922 326 HB3 LYS 41 1HB LYS 41 2.858 -10.837 9.586 327 HG2 LYS 41 2HG LYS 41 0.370 -9.555 8.439 328 HG3 LYS 41 1HG LYS 41 0.349 -11.178 9.119 329 HD2 LYS 41 2HD LYS 41 1.303 -10.300 11.241 330 HD3 LYS 41 1HD LYS 41 1.213 -8.662 10.618 331 HE2 LYS 41 2HE LYS 41 -1.155 -10.546 10.900 332 HE3 LYS 41 1HE LYS 41 -0.769 -9.277 12.049 333 HZ1 LYS 41 3HZ LYS 41 -0.817 -7.772 9.996 334 HZ2 LYS 41 1HZ LYS 41 -2.302 -8.293 10.645 335 HZ3 LYS 41 2HZ LYS 41 -1.698 -9.054 9.261 336 H GLU 42 H GLU 42 4.178 -10.146 6.429 337 HA GLU 42 HA GLU 42 6.617 -10.722 7.774 338 HB2 GLU 42 2HB GLU 42 5.488 -11.170 5.087 339 HB3 GLU 42 1HB GLU 42 7.200 -11.341 5.174 340 HG2 GLU 42 2HG GLU 42 6.622 -12.813 7.330 341 HG3 GLU 42 1HG GLU 42 5.031 -12.873 6.548 342 H LEU 43 H LEU 43 6.531 -9.129 4.662 343 HA LEU 43 HA LEU 43 9.132 -8.114 4.975 344 HB2 LEU 43 2HB LEU 43 6.957 -7.479 3.025 345 HB3 LEU 43 1HB LEU 43 8.455 -6.576 3.052 346 HG LEU 43 HG LEU 43 9.649 -8.869 3.046 347 HD11 LEU 43 1HD1 LEU 43 8.205 -10.570 3.242 348 HD12 LEU 43 2HD1 LEU 43 7.873 -10.307 1.528 349 HD13 LEU 43 3HD1 LEU 43 6.818 -9.598 2.756 350 HD21 LEU 43 3HD2 LEU 43 8.501 -7.203 0.993 351 HD22 LEU 43 1HD2 LEU 43 8.663 -8.866 0.405 352 HD23 LEU 43 2HD2 LEU 43 10.074 -8.005 1.032 353 H SER 44 H SER 44 6.059 -6.477 5.274 354 HA SER 44 HA SER 44 6.915 -4.023 4.962 355 HB2 SER 44 2HB SER 44 4.798 -4.533 7.004 356 HB3 SER 44 1HB SER 44 4.944 -3.298 5.704 357 HG SER 44 HG SER 44 4.112 -5.885 5.730 358 H ILE 45 H ILE 45 7.989 -2.473 6.078 359 HA ILE 45 HA ILE 45 8.997 -3.122 8.734 360 HB ILE 45 HB ILE 45 10.427 -1.136 8.449 361 HG12 ILE 45 2HG1 ILE 45 9.199 -0.949 5.677 362 HG13 ILE 45 1HG1 ILE 45 8.795 0.163 6.996 363 HG21 ILE 45 1HG2 ILE 45 10.864 -3.526 7.397 364 HG22 ILE 45 2HG2 ILE 45 11.915 -2.173 6.986 365 HG23 ILE 45 3HG2 ILE 45 10.639 -2.664 5.877 366 HD11 ILE 45 3HD1 ILE 45 10.591 0.969 5.364 367 HD12 ILE 45 1HD1 ILE 45 11.628 -0.288 6.028 368 HD13 ILE 45 2HD1 ILE 45 11.026 1.007 7.061 369 H ASP 46 H ASP 46 6.363 -1.685 7.435 370 HA ASP 46 HA ASP 46 5.874 0.275 9.565 371 HB2 ASP 46 2HB ASP 46 5.045 0.691 7.246 372 HB3 ASP 46 1HB ASP 46 4.074 -0.769 7.365 373 H GLY 47 H GLY 47 5.875 -0.965 11.386 374 HA2 GLY 47 2HA GLY 47 4.908 -3.552 11.639 375 HA3 GLY 47 1HA GLY 47 5.107 -2.433 12.981 376 H GLY 48 H GLY 48 3.282 -0.521 12.513 377 HA2 GLY 48 2HA GLY 48 0.900 -1.646 13.458 378 HA3 GLY 48 1HA GLY 48 1.023 -0.044 12.763 379 H SER 49 H SER 49 1.813 -0.634 10.176 380 HA SER 49 HA SER 49 -0.665 -1.440 9.013 381 HB2 SER 49 2HB SER 49 2.074 -0.984 7.850 382 HB3 SER 49 1HB SER 49 0.710 -1.461 6.878 383 HG SER 49 HG SER 49 1.310 0.983 7.961 384 H ALA 50 H ALA 50 2.257 -3.143 9.866 385 HA ALA 50 HA ALA 50 1.627 -5.537 8.466 386 HB1 ALA 50 1HB ALA 50 3.347 -6.550 9.755 387 HB2 ALA 50 2HB ALA 50 3.170 -5.413 11.072 388 HB3 ALA 50 3HB ALA 50 3.880 -4.893 9.550 389 H LYS 51 H LYS 51 0.768 -4.150 11.555 390 HA LYS 51 HA LYS 51 -0.453 -6.430 12.753 391 HB2 LYS 51 2HB LYS 51 -1.240 -3.514 13.147 392 HB3 LYS 51 1HB LYS 51 -1.583 -4.854 14.211 393 HG2 LYS 51 2HG LYS 51 1.191 -3.857 13.542 394 HG3 LYS 51 1HG LYS 51 0.348 -3.537 15.025 395 HD2 LYS 51 2HD LYS 51 0.256 -5.918 15.558 396 HD3 LYS 51 1HD LYS 51 1.092 -6.311 14.052 397 HE2 LYS 51 2HE LYS 51 2.221 -4.584 16.278 398 HE3 LYS 51 1HE LYS 51 2.645 -6.260 15.958 399 HZ1 LYS 51 3HZ LYS 51 3.634 -5.701 13.911 400 HZ2 LYS 51 1HZ LYS 51 4.144 -4.480 14.961 401 HZ3 LYS 51 2HZ LYS 51 2.904 -4.169 13.877 402 H ARG 52 H ARG 52 -1.537 -4.030 10.485 403 HA ARG 52 HA ARG 52 -4.298 -5.027 10.557 404 HB2 ARG 52 2HB ARG 52 -3.092 -2.819 8.889 405 HB3 ARG 52 1HB ARG 52 -4.794 -3.173 9.115 406 HG2 ARG 52 2HG ARG 52 -4.482 -2.758 11.589 407 HG3 ARG 52 1HG ARG 52 -2.860 -2.174 11.236 408 HD2 ARG 52 2HD ARG 52 -5.467 -1.057 10.171 409 HD3 ARG 52 1HD ARG 52 -4.359 -0.247 11.260 410 HE ARG 52 HE ARG 52 -4.172 -0.507 8.421 411 HH11 ARG 52 1HH2 ARG 52 -2.347 -0.125 11.376 412 HH12 ARG 52 2HH2 ARG 52 -0.941 0.521 10.643 413 HH21 ARG 52 1HH1 ARG 52 -2.244 0.340 7.396 414 HH22 ARG 52 2HH1 ARG 52 -0.852 0.745 8.289 415 H ASP 53 H ASP 53 -1.604 -6.082 9.137 416 HA ASP 53 HA ASP 53 -1.131 -7.382 7.307 417 HB2 ASP 53 2HB ASP 53 -4.095 -7.214 6.814 418 HB3 ASP 53 1HB ASP 53 -3.086 -8.097 5.797 419 H GLY 54 H GLY 54 -0.929 -4.555 7.310 420 HA2 GLY 54 2HA GLY 54 -0.187 -3.002 5.765 421 HA3 GLY 54 1HA GLY 54 -0.724 -4.063 4.479 422 H SER 55 H SER 55 -3.417 -4.261 5.916 423 HA SER 55 HA SER 55 -4.844 -2.550 4.317 424 HB2 SER 55 2HB SER 55 -5.922 -3.350 6.992 425 HB3 SER 55 1HB SER 55 -6.725 -3.279 5.437 426 HG SER 55 HG SER 55 -5.083 -5.197 6.583 427 H LEU 56 H LEU 56 -4.336 -0.410 4.283 428 HA LEU 56 HA LEU 56 -3.991 1.196 6.643 429 HB2 LEU 56 2HB LEU 56 -4.589 1.952 3.776 430 HB3 LEU 56 1HB LEU 56 -4.176 3.081 5.034 431 HG LEU 56 HG LEU 56 -2.388 0.828 4.063 432 HD11 LEU 56 1HD1 LEU 56 -2.410 2.545 2.433 433 HD12 LEU 56 2HD1 LEU 56 -0.935 2.804 3.382 434 HD13 LEU 56 3HD1 LEU 56 -2.347 3.803 3.657 435 HD21 LEU 56 3HD2 LEU 56 -1.373 1.027 6.036 436 HD22 LEU 56 1HD2 LEU 56 -2.314 2.443 6.532 437 HD23 LEU 56 2HD2 LEU 56 -0.867 2.634 5.546 438 H GLY 57 H GLY 57 -6.512 0.375 4.405 439 HA2 GLY 57 2HA GLY 57 -8.846 0.339 4.865 440 HA3 GLY 57 1HA GLY 57 -8.588 1.426 6.233 441 H TYR 58 H TYR 58 -9.957 3.044 5.558 442 HA TYR 58 HA TYR 58 -9.669 4.307 2.940 443 HB2 TYR 58 2HB TYR 58 -11.151 5.216 5.415 444 HB3 TYR 58 1HB TYR 58 -11.234 5.968 3.862 445 HD1 TYR 58 2HD TYR 58 -11.711 2.493 5.304 446 HD2 TYR 58 1HD TYR 58 -13.014 5.451 2.447 447 HE1 TYR 58 2HE TYR 58 -13.531 1.016 4.607 448 HE2 TYR 58 1HE TYR 58 -14.832 3.974 1.752 449 HH TYR 58 HH TYR 58 -16.049 1.663 3.388 450 H PHE 59 H PHE 59 -8.245 6.018 2.603 451 HA PHE 59 HA PHE 59 -7.508 7.678 4.919 452 HB2 PHE 59 2HB PHE 59 -5.142 7.644 4.426 453 HB3 PHE 59 1HB PHE 59 -5.695 6.006 4.730 454 HD1 PHE 59 1HD PHE 59 -5.877 4.365 2.860 455 HD2 PHE 59 2HD PHE 59 -4.468 8.371 2.213 456 HE1 PHE 59 1HE PHE 59 -4.956 3.682 0.712 457 HE2 PHE 59 2HE PHE 59 -3.544 7.670 0.015 458 HZ PHE 59 HZ PHE 59 -3.782 5.324 -0.731 459 H GLY 60 H GLY 60 -6.890 9.764 4.460 460 HA2 GLY 60 2HA GLY 60 -7.740 10.701 1.809 461 HA3 GLY 60 1HA GLY 60 -7.592 11.693 3.248 462 H ARG 61 H ARG 61 -6.483 12.753 1.101 463 HA ARG 61 HA ARG 61 -3.706 11.997 0.817 464 HB2 ARG 61 2HB ARG 61 -5.217 14.373 -0.280 465 HB3 ARG 61 1HB ARG 61 -3.553 13.961 -0.664 466 HG2 ARG 61 2HG ARG 61 -4.268 11.775 -1.561 467 HG3 ARG 61 1HG ARG 61 -5.953 12.176 -1.229 468 HD2 ARG 61 2HD ARG 61 -4.120 13.813 -2.988 469 HD3 ARG 61 1HD ARG 61 -5.267 12.634 -3.608 470 HE ARG 61 HE ARG 61 -6.793 14.300 -2.020 471 HH11 ARG 61 1HH2 ARG 61 -4.642 14.717 -4.739 472 HH12 ARG 61 2HH2 ARG 61 -5.431 16.104 -5.334 473 HH21 ARG 61 1HH1 ARG 61 -7.880 16.150 -2.842 474 HH22 ARG 61 2HH1 ARG 61 -7.295 16.911 -4.257 475 H GLY 62 H GLY 62 -1.960 13.513 1.175 476 HA2 GLY 62 2HA GLY 62 -1.373 15.747 2.127 477 HA3 GLY 62 1HA GLY 62 -2.458 15.372 3.459 478 H LYS 63 H LYS 63 -1.913 13.459 4.753 479 HA LYS 63 HA LYS 63 0.775 13.517 5.661 480 HB2 LYS 63 2HB LYS 63 -1.441 11.514 6.141 481 HB3 LYS 63 1HB LYS 63 0.137 11.436 6.919 482 HG2 LYS 63 2HG LYS 63 -0.185 13.671 7.870 483 HG3 LYS 63 1HG LYS 63 -1.760 13.807 7.094 484 HD2 LYS 63 2HD LYS 63 -2.603 11.901 8.356 485 HD3 LYS 63 1HD LYS 63 -1.049 11.642 9.125 486 HE2 LYS 63 2HE LYS 63 -2.712 14.184 9.389 487 HE3 LYS 63 1HE LYS 63 -2.639 12.876 10.560 488 HZ1 LYS 63 3HZ LYS 63 -1.029 14.952 10.697 489 HZ2 LYS 63 1HZ LYS 63 -0.055 13.999 9.729 490 HZ3 LYS 63 2HZ LYS 63 -0.548 13.431 11.229 491 H MET 64 H MET 64 -0.982 11.422 3.515 492 HA MET 64 HA MET 64 1.030 9.450 3.148 493 HB2 MET 64 2HB MET 64 -1.063 10.340 1.178 494 HB3 MET 64 1HB MET 64 -0.269 8.777 1.236 495 HG2 MET 64 2HG MET 64 -2.046 9.865 3.452 496 HG3 MET 64 1HG MET 64 -2.542 8.712 2.224 497 HE1 MET 64 3HE MET 64 -1.782 6.714 1.748 498 HE2 MET 64 1HE MET 64 -2.610 6.032 3.151 499 HE3 MET 64 2HE MET 64 -0.963 5.543 2.774 500 H VAL 65 H VAL 65 2.566 9.323 1.458 501 HA VAL 65 HA VAL 65 3.450 11.884 0.467 502 HB VAL 65 HB VAL 65 5.380 10.656 -0.453 503 HG11 VAL 65 1HG1 VAL 65 6.365 10.152 1.657 504 HG12 VAL 65 2HG1 VAL 65 4.824 9.605 2.324 505 HG13 VAL 65 3HG1 VAL 65 5.090 11.313 2.029 506 HG21 VAL 65 3HG2 VAL 65 4.131 8.556 -1.030 507 HG22 VAL 65 1HG2 VAL 65 4.023 8.181 0.696 508 HG23 VAL 65 2HG2 VAL 65 5.593 8.248 -0.094 509 H LYS 66 H LYS 66 3.311 12.662 -1.553 510 HA LYS 66 HA LYS 66 1.135 12.182 -3.065 511 HB2 LYS 66 2HB LYS 66 3.817 13.228 -3.956 512 HB3 LYS 66 1HB LYS 66 2.440 13.143 -5.048 513 HG2 LYS 66 2HG LYS 66 2.254 14.515 -2.350 514 HG3 LYS 66 1HG LYS 66 2.790 15.351 -3.778 515 HD2 LYS 66 2HD LYS 66 0.746 15.405 -4.761 516 HD3 LYS 66 1HD LYS 66 0.267 13.813 -4.192 517 HE2 LYS 66 2HE LYS 66 0.307 16.374 -2.552 518 HE3 LYS 66 1HE LYS 66 -1.119 15.538 -3.143 519 HZ1 LYS 66 3HZ LYS 66 -0.808 13.769 -1.723 520 HZ2 LYS 66 1HZ LYS 66 -0.405 15.082 -0.757 521 HZ3 LYS 66 2HZ LYS 66 0.823 14.129 -1.387 522 HA PRO 67 HA PRO 67 3.465 9.187 -6.102 523 HB2 PRO 67 2HB PRO 67 5.309 7.563 -4.855 524 HB3 PRO 67 1HB PRO 67 5.752 9.002 -5.751 525 HG2 PRO 67 2HG PRO 67 5.409 8.702 -2.811 526 HG3 PRO 67 1HG PRO 67 6.661 9.556 -3.708 527 HD2 PRO 67 2HD PRO 67 4.746 10.967 -2.617 528 HD3 PRO 67 1HD PRO 67 5.290 11.374 -4.253 529 H PHE 68 H PHE 68 3.136 8.496 -2.690 530 HA PHE 68 HA PHE 68 2.115 5.826 -2.866 531 HB2 PHE 68 2HB PHE 68 3.019 6.838 -0.766 532 HB3 PHE 68 1HB PHE 68 1.567 7.848 -0.658 533 HD1 PHE 68 2HD PHE 68 -0.685 6.677 -0.521 534 HD2 PHE 68 1HD PHE 68 3.059 4.611 -0.072 535 HE1 PHE 68 2HE PHE 68 -1.851 4.763 0.558 536 HE2 PHE 68 1HE PHE 68 1.892 2.727 0.988 537 HZ PHE 68 HZ PHE 68 -0.567 2.803 1.303 538 H GLU 69 H GLU 69 0.600 9.011 -2.542 539 HA GLU 69 HA GLU 69 -2.094 8.141 -2.541 540 HB2 GLU 69 2HB GLU 69 -0.858 10.774 -3.421 541 HB3 GLU 69 1HB GLU 69 -2.583 10.497 -3.223 542 HG2 GLU 69 2HG GLU 69 -2.285 10.012 -0.838 543 HG3 GLU 69 1HG GLU 69 -0.537 10.143 -1.017 544 H ASP 70 H ASP 70 0.037 9.326 -5.070 545 HA ASP 70 HA ASP 70 -1.710 9.275 -7.227 546 HB2 ASP 70 2HB ASP 70 0.434 10.339 -7.432 547 HB3 ASP 70 1HB ASP 70 1.278 8.837 -7.127 548 H ALA 71 H ALA 71 0.499 6.792 -6.040 549 HA ALA 71 HA ALA 71 -0.163 4.829 -7.982 550 HB1 ALA 71 1HB ALA 71 1.755 4.146 -6.955 551 HB2 ALA 71 2HB ALA 71 0.628 3.304 -5.898 552 HB3 ALA 71 3HB ALA 71 1.300 4.849 -5.402 553 H ALA 72 H ALA 72 -1.432 5.541 -4.780 554 HA ALA 72 HA ALA 72 -3.042 3.286 -4.464 555 HB1 ALA 72 1HB ALA 72 -2.479 5.115 -2.759 556 HB2 ALA 72 2HB ALA 72 -4.092 4.405 -2.705 557 HB3 ALA 72 3HB ALA 72 -3.846 5.993 -3.453 558 H PHE 73 H PHE 73 -3.857 6.421 -5.894 559 HA PHE 73 HA PHE 73 -6.559 5.830 -6.376 560 HB2 PHE 73 2HB PHE 73 -4.691 7.758 -7.746 561 HB3 PHE 73 1HB PHE 73 -6.374 7.599 -8.212 562 HD1 PHE 73 2HD PHE 73 -8.170 7.790 -6.331 563 HD2 PHE 73 1HD PHE 73 -4.108 9.160 -5.909 564 HE1 PHE 73 2HE PHE 73 -8.846 9.254 -4.457 565 HE2 PHE 73 1HE PHE 73 -4.783 10.608 -4.046 566 HZ PHE 73 HZ PHE 73 -7.158 10.669 -3.308 567 H ARG 74 H ARG 74 -3.683 5.234 -8.266 568 HA ARG 74 HA ARG 74 -4.912 4.615 -10.715 569 HB2 ARG 74 2HB ARG 74 -2.263 3.709 -9.588 570 HB3 ARG 74 1HB ARG 74 -2.755 3.504 -11.263 571 HG2 ARG 74 2HG ARG 74 -3.077 5.902 -11.517 572 HG3 ARG 74 1HG ARG 74 -2.615 6.194 -9.856 573 HD2 ARG 74 2HD ARG 74 -0.382 5.091 -10.396 574 HD3 ARG 74 1HD ARG 74 -0.850 5.118 -12.089 575 HE ARG 74 HE ARG 74 -0.065 7.367 -10.428 576 HH11 ARG 74 1HH2 ARG 74 -1.713 6.347 -13.332 577 HH12 ARG 74 2HH2 ARG 74 -1.572 7.852 -14.114 578 HH21 ARG 74 1HH1 ARG 74 0.093 9.361 -11.427 579 HH22 ARG 74 2HH1 ARG 74 -0.489 9.619 -13.028 580 H LEU 75 H LEU 75 -4.617 2.768 -7.815 581 HA LEU 75 HA LEU 75 -5.001 0.225 -9.205 582 HB2 LEU 75 2HB LEU 75 -4.705 0.737 -6.268 583 HB3 LEU 75 1HB LEU 75 -4.623 -0.801 -7.091 584 HG LEU 75 HG LEU 75 -2.719 1.493 -7.611 585 HD11 LEU 75 1HD1 LEU 75 -1.130 -0.126 -6.567 586 HD12 LEU 75 2HD1 LEU 75 -2.534 -1.024 -5.993 587 HD13 LEU 75 3HD1 LEU 75 -2.258 0.641 -5.449 588 HD21 LEU 75 3HD2 LEU 75 -1.660 -0.966 -8.494 589 HD22 LEU 75 1HD2 LEU 75 -2.264 0.341 -9.498 590 HD23 LEU 75 2HD2 LEU 75 -3.331 -0.978 -9.045 591 H GLN 76 H GLN 76 -7.153 2.477 -8.467 592 HA GLN 76 HA GLN 76 -8.985 1.561 -6.690 593 HB2 GLN 76 2HB GLN 76 -9.544 2.811 -9.392 594 HB3 GLN 76 1HB GLN 76 -10.755 2.589 -8.142 595 HG2 GLN 76 2HG GLN 76 -8.172 3.923 -7.434 596 HG3 GLN 76 1HG GLN 76 -9.419 4.899 -8.189 597 HE21 GLN 76 1HE2 GLN 76 -10.982 5.693 -6.756 598 HE22 GLN 76 2HE2 GLN 76 -11.200 5.155 -5.174 599 H VAL 77 H VAL 77 -8.201 0.052 -9.669 600 HA VAL 77 HA VAL 77 -10.453 -1.617 -10.004 601 HB VAL 77 HB VAL 77 -8.835 -1.212 -11.788 602 HG11 VAL 77 1HG1 VAL 77 -6.620 -1.570 -11.623 603 HG12 VAL 77 2HG1 VAL 77 -6.802 -3.095 -10.785 604 HG13 VAL 77 3HG1 VAL 77 -6.883 -1.576 -9.886 605 HG21 VAL 77 3HG2 VAL 77 -8.555 -4.160 -11.221 606 HG22 VAL 77 1HG2 VAL 77 -8.940 -3.343 -12.730 607 HG23 VAL 77 2HG2 VAL 77 -10.168 -3.490 -11.477 608 H GLY 78 H GLY 78 -7.826 -1.757 -7.773 609 HA2 GLY 78 2HA GLY 78 -8.172 -3.252 -5.748 610 HA3 GLY 78 1HA GLY 78 -8.639 -4.460 -6.923 611 H GLU 79 H GLU 79 -6.271 -2.781 -8.339 612 HA GLU 79 HA GLU 79 -4.542 -5.027 -8.323 613 HB2 GLU 79 2HB GLU 79 -4.852 -2.596 -9.890 614 HB3 GLU 79 1HB GLU 79 -3.177 -2.954 -9.523 615 HG2 GLU 79 2HG GLU 79 -4.677 -5.349 -10.283 616 HG3 GLU 79 1HG GLU 79 -4.645 -4.130 -11.542 617 H VAL 80 H VAL 80 -2.115 -4.582 -8.332 618 HA VAL 80 HA VAL 80 -1.382 -3.429 -5.711 619 HB VAL 80 HB VAL 80 0.374 -5.307 -7.285 620 HG11 VAL 80 1HG1 VAL 80 1.159 -4.054 -5.234 621 HG12 VAL 80 2HG1 VAL 80 1.330 -5.814 -5.239 622 HG13 VAL 80 3HG1 VAL 80 0.032 -5.072 -4.310 623 HG21 VAL 80 3HG2 VAL 80 -2.016 -6.024 -5.553 624 HG22 VAL 80 1HG2 VAL 80 -0.673 -7.132 -5.823 625 HG23 VAL 80 2HG2 VAL 80 -1.650 -6.596 -7.185 626 H SER 81 H SER 81 -0.026 -1.735 -5.686 627 HA SER 81 HA SER 81 0.694 -0.416 -8.121 628 HB2 SER 81 2HB SER 81 2.110 0.900 -6.270 629 HB3 SER 81 1HB SER 81 0.402 1.182 -6.499 630 HG SER 81 HG SER 81 0.012 -0.321 -4.808 631 H GLU 82 H GLU 82 2.806 0.019 -8.856 632 HA GLU 82 HA GLU 82 4.828 -1.965 -8.380 633 HB2 GLU 82 2HB GLU 82 5.333 0.786 -9.528 634 HB3 GLU 82 1HB GLU 82 6.148 -0.725 -9.894 635 HG2 GLU 82 2HG GLU 82 4.832 -0.668 -11.743 636 HG3 GLU 82 1HG GLU 82 3.712 -1.444 -10.627 637 HA PRO 83 HA PRO 83 6.821 -0.288 -4.836 638 HB2 PRO 83 2HB PRO 83 9.113 0.711 -6.446 639 HB3 PRO 83 1HB PRO 83 9.115 -0.334 -5.015 640 HG2 PRO 83 2HG PRO 83 9.556 -1.352 -7.418 641 HG3 PRO 83 1HG PRO 83 8.574 -2.236 -6.227 642 HD2 PRO 83 2HD PRO 83 7.660 -0.779 -8.686 643 HD3 PRO 83 1HD PRO 83 7.012 -2.220 -7.892 644 H VAL 84 H VAL 84 6.362 1.598 -3.816 645 HA VAL 84 HA VAL 84 6.419 4.139 -5.317 646 HB VAL 84 HB VAL 84 4.925 3.370 -2.808 647 HG11 VAL 84 1HG1 VAL 84 5.688 5.912 -3.486 648 HG12 VAL 84 2HG1 VAL 84 4.227 5.520 -2.590 649 HG13 VAL 84 3HG1 VAL 84 4.140 5.778 -4.330 650 HG21 VAL 84 3HG2 VAL 84 3.927 3.826 -5.642 651 HG22 VAL 84 1HG2 VAL 84 2.906 3.532 -4.237 652 HG23 VAL 84 2HG2 VAL 84 3.995 2.274 -4.802 653 H LYS 85 H LYS 85 8.363 5.036 -4.929 654 HA LYS 85 HA LYS 85 9.812 4.444 -2.528 655 HB2 LYS 85 2HB LYS 85 10.689 4.993 -4.976 656 HB3 LYS 85 1HB LYS 85 10.702 6.637 -4.344 657 HG2 LYS 85 2HG LYS 85 11.885 4.507 -2.617 658 HG3 LYS 85 1HG LYS 85 12.784 4.993 -4.047 659 HD2 LYS 85 2HD LYS 85 12.757 7.345 -3.277 660 HD3 LYS 85 1HD LYS 85 11.807 6.885 -1.878 661 HE2 LYS 85 2HE LYS 85 14.215 7.037 -1.326 662 HE3 LYS 85 1HE LYS 85 13.565 5.417 -1.078 663 HZ1 LYS 85 3HZ LYS 85 14.725 4.583 -2.966 664 HZ2 LYS 85 1HZ LYS 85 15.780 5.746 -2.365 665 HZ3 LYS 85 2HZ LYS 85 14.832 6.129 -3.657 666 H SER 86 H SER 86 10.037 5.629 -0.686 667 HA SER 86 HA SER 86 9.124 8.386 -0.680 668 HB2 SER 86 2HB SER 86 7.747 8.047 1.195 669 HB3 SER 86 1HB SER 86 7.393 6.659 0.195 670 HG SER 86 HG SER 86 8.192 5.431 1.700 671 H GLU 87 H GLU 87 9.913 9.370 1.405 672 HA GLU 87 HA GLU 87 12.700 8.985 1.732 673 HB2 GLU 87 2HB GLU 87 11.630 10.150 4.131 674 HB3 GLU 87 1HB GLU 87 12.515 10.944 2.841 675 HG2 GLU 87 2HG GLU 87 9.505 10.489 2.916 676 HG3 GLU 87 1HG GLU 87 10.304 11.998 3.188 677 H PHE 88 H PHE 88 9.869 7.756 3.287 678 HA PHE 88 HA PHE 88 11.082 6.450 5.495 679 HB2 PHE 88 2HB PHE 88 8.443 6.166 4.100 680 HB3 PHE 88 1HB PHE 88 8.892 5.142 5.446 681 HD1 PHE 88 1HD PHE 88 9.460 6.167 7.671 682 HD2 PHE 88 2HD PHE 88 7.866 8.499 4.442 683 HE1 PHE 88 1HE PHE 88 8.913 8.000 9.264 684 HE2 PHE 88 2HE PHE 88 7.319 10.325 6.031 685 HZ PHE 88 HZ PHE 88 7.838 10.081 8.425 686 H GLY 89 H GLY 89 10.287 5.434 2.200 687 HA2 GLY 89 2HA GLY 89 12.198 3.566 1.794 688 HA3 GLY 89 1HA GLY 89 11.014 2.688 2.767 689 H TYR 90 H TYR 90 10.585 1.272 0.975 690 HA TYR 90 HA TYR 90 9.225 2.542 -1.307 691 HB2 TYR 90 2HB TYR 90 10.434 -0.196 -0.912 692 HB3 TYR 90 1HB TYR 90 9.561 0.288 -2.359 693 HD1 TYR 90 2HD TYR 90 12.545 0.980 -0.268 694 HD2 TYR 90 1HD TYR 90 10.546 1.774 -3.991 695 HE1 TYR 90 2HE TYR 90 14.560 2.111 -1.104 696 HE2 TYR 90 1HE TYR 90 12.567 2.913 -4.833 697 HH TYR 90 HH TYR 90 15.147 2.730 -4.231 698 H HIS 91 H HIS 91 7.081 2.391 -1.418 699 HA HIS 91 HA HIS 91 5.746 0.508 0.400 700 HB2 HIS 91 2HB HIS 91 4.417 2.831 -1.015 701 HB3 HIS 91 1HB HIS 91 3.793 1.844 0.272 702 HD1 HIS 91 1HD HIS 91 3.824 2.997 2.427 703 HD2 HIS 91 2HD HIS 91 7.090 4.117 0.084 704 HE1 HIS 91 1HE HIS 91 5.134 4.723 3.777 705 H VAL 92 H VAL 92 4.269 -0.891 -0.325 706 HA VAL 92 HA VAL 92 3.689 -0.989 -3.226 707 HB VAL 92 HB VAL 92 3.967 -3.249 -1.222 708 HG11 VAL 92 1HG1 VAL 92 2.034 -3.751 -2.564 709 HG12 VAL 92 2HG1 VAL 92 3.363 -4.728 -3.160 710 HG13 VAL 92 3HG1 VAL 92 2.867 -3.289 -4.051 711 HG21 VAL 92 3HG2 VAL 92 6.112 -2.894 -2.032 712 HG22 VAL 92 1HG2 VAL 92 5.553 -2.301 -3.590 713 HG23 VAL 92 2HG2 VAL 92 5.526 -4.030 -3.242 714 H ILE 93 H ILE 93 1.550 -0.560 -3.585 715 HA ILE 93 HA ILE 93 -0.234 -0.694 -1.245 716 HB ILE 93 HB ILE 93 -0.409 1.104 -3.694 717 HG12 ILE 93 2HG1 ILE 93 0.229 1.824 -0.826 718 HG13 ILE 93 1HG1 ILE 93 1.481 1.603 -2.048 719 HG21 ILE 93 1HG2 ILE 93 -2.086 2.255 -2.103 720 HG22 ILE 93 2HG2 ILE 93 -2.127 0.715 -1.264 721 HG23 ILE 93 3HG2 ILE 93 -2.599 0.806 -2.958 722 HD11 ILE 93 3HD1 ILE 93 0.072 3.290 -3.468 723 HD12 ILE 93 1HD1 ILE 93 1.081 3.905 -2.163 724 HD13 ILE 93 2HD1 ILE 93 -0.652 3.720 -1.926 725 H LYS 94 H LYS 94 -1.914 -1.985 -1.386 726 HA LYS 94 HA LYS 94 -2.827 -2.787 -4.071 727 HB2 LYS 94 2HB LYS 94 -2.183 -4.774 -2.782 728 HB3 LYS 94 1HB LYS 94 -3.284 -4.330 -1.480 729 HG2 LYS 94 2HG LYS 94 -5.166 -4.313 -3.114 730 HG3 LYS 94 1HG LYS 94 -4.064 -4.871 -4.370 731 HD2 LYS 94 2HD LYS 94 -3.619 -6.908 -3.041 732 HD3 LYS 94 1HD LYS 94 -4.771 -6.360 -1.820 733 HE2 LYS 94 2HE LYS 94 -5.296 -7.330 -4.613 734 HE3 LYS 94 1HE LYS 94 -6.147 -7.708 -3.116 735 HZ1 LYS 94 3HZ LYS 94 -6.793 -5.109 -3.281 736 HZ2 LYS 94 1HZ LYS 94 -7.614 -6.327 -4.100 737 HZ3 LYS 94 2HZ LYS 94 -6.483 -5.433 -4.927 738 H ARG 95 H ARG 95 -4.901 -2.430 -4.541 739 HA ARG 95 HA ARG 95 -6.303 -0.541 -2.859 740 HB2 ARG 95 2HB ARG 95 -6.511 -0.074 -5.175 741 HB3 ARG 95 1HB ARG 95 -6.924 -1.728 -5.564 742 HG2 ARG 95 2HG ARG 95 -8.928 -0.394 -5.668 743 HG3 ARG 95 1HG ARG 95 -9.085 -1.455 -4.293 744 HD2 ARG 95 2HD ARG 95 -7.910 0.709 -3.085 745 HD3 ARG 95 1HD ARG 95 -8.778 1.517 -4.354 746 HE ARG 95 HE ARG 95 -9.960 -0.129 -2.207 747 HH11 ARG 95 1HH2 ARG 95 -10.375 2.125 -4.895 748 HH12 ARG 95 2HH2 ARG 95 -12.055 2.238 -4.661 749 HH21 ARG 95 1HH1 ARG 95 -12.144 0.054 -1.957 750 HH22 ARG 95 2HH1 ARG 95 -13.105 1.074 -2.976 751 H LEU 96 H LEU 96 -8.008 -0.899 -1.565 752 HA LEU 96 HA LEU 96 -8.837 -3.681 -1.168 753 HB2 LEU 96 2HB LEU 96 -7.301 -2.778 0.559 754 HB3 LEU 96 1HB LEU 96 -8.430 -1.464 0.850 755 HG LEU 96 HG LEU 96 -10.169 -3.095 1.460 756 HD11 LEU 96 1HD1 LEU 96 -9.830 -5.222 0.665 757 HD12 LEU 96 2HD1 LEU 96 -8.802 -5.426 2.069 758 HD13 LEU 96 3HD1 LEU 96 -8.087 -4.998 0.527 759 HD21 LEU 96 3HD2 LEU 96 -7.539 -3.270 2.964 760 HD22 LEU 96 1HD2 LEU 96 -9.079 -3.806 3.622 761 HD23 LEU 96 2HD2 LEU 96 -8.828 -2.106 3.236 762 H GLY 97 H GLY 97 -10.999 -4.050 -0.641 763 HA2 GLY 97 2HA GLY 97 -12.855 -1.839 -1.269 764 HA3 GLY 97 1HA GLY 97 -13.196 -3.542 -1.465 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -21.923 -2.408 1.381 2 HA2 GLY 1 2HA GLY 1 -19.717 -0.464 0.919 3 HA3 GLY 1 1HA GLY 1 -21.406 0.017 0.953 4 HA PRO 2 HA PRO 2 -20.244 -1.401 5.504 5 HB2 PRO 2 2HB PRO 2 -17.287 -1.067 5.341 6 HB3 PRO 2 1HB PRO 2 -18.248 -2.315 6.150 7 HG2 PRO 2 2HG PRO 2 -16.953 -2.899 3.950 8 HG3 PRO 2 1HG PRO 2 -18.585 -3.533 4.216 9 HD2 PRO 2 2HD PRO 2 -17.737 -1.250 2.472 10 HD3 PRO 2 1HD PRO 2 -18.928 -2.532 2.142 11 H MET 3 H MET 3 -20.156 0.192 7.136 12 HA MET 3 HA MET 3 -20.195 2.860 6.341 13 HB2 MET 3 2HB MET 3 -19.774 1.676 9.093 14 HB3 MET 3 1HB MET 3 -19.911 3.409 8.803 15 HG2 MET 3 2HG MET 3 -22.133 3.076 7.778 16 HG3 MET 3 1HG MET 3 -21.996 1.345 8.027 17 HE1 MET 3 3HE MET 3 -21.660 4.699 9.433 18 HE2 MET 3 1HE MET 3 -20.979 4.235 11.007 19 HE3 MET 3 2HE MET 3 -22.656 4.737 10.878 20 H GLY 4 H GLY 4 -18.737 4.499 6.356 21 HA2 GLY 4 2HA GLY 4 -16.674 5.564 6.688 22 HA3 GLY 4 1HA GLY 4 -15.969 4.034 7.178 23 H SER 5 H SER 5 -17.140 2.583 4.889 24 HA SER 5 HA SER 5 -15.017 2.979 3.026 25 HB2 SER 5 2HB SER 5 -17.492 1.482 2.271 26 HB3 SER 5 1HB SER 5 -15.802 1.073 2.002 27 HG SER 5 HG SER 5 -17.479 0.758 4.189 28 H MET 6 H MET 6 -15.084 5.058 2.266 29 HA MET 6 HA MET 6 -17.426 5.787 0.613 30 HB2 MET 6 2HB MET 6 -15.667 7.544 2.338 31 HB3 MET 6 1HB MET 6 -16.878 8.157 1.209 32 HG2 MET 6 2HG MET 6 -18.648 6.952 2.386 33 HG3 MET 6 1HG MET 6 -17.485 6.244 3.496 34 HE1 MET 6 3HE MET 6 -19.321 9.156 2.149 35 HE2 MET 6 1HE MET 6 -17.806 10.086 2.096 36 HE3 MET 6 2HE MET 6 -19.078 10.496 3.245 37 H ALA 7 H ALA 7 -17.047 6.717 -1.342 38 HA ALA 7 HA ALA 7 -14.710 5.977 -2.715 39 HB1 ALA 7 1HB ALA 7 -16.552 6.135 -4.111 40 HB2 ALA 7 2HB ALA 7 -15.659 7.597 -4.506 41 HB3 ALA 7 3HB ALA 7 -17.056 7.687 -3.435 42 H ASP 8 H ASP 8 -15.446 8.867 -0.963 43 HA ASP 8 HA ASP 8 -13.645 10.651 -2.239 44 HB2 ASP 8 2HB ASP 8 -15.285 11.473 -0.597 45 HB3 ASP 8 1HB ASP 8 -14.467 10.575 0.678 46 H LYS 9 H LYS 9 -13.257 8.373 0.376 47 HA LYS 9 HA LYS 9 -10.426 8.852 0.724 48 HB2 LYS 9 2HB LYS 9 -12.276 6.721 1.817 49 HB3 LYS 9 1HB LYS 9 -10.597 6.963 2.297 50 HG2 LYS 9 2HG LYS 9 -11.109 9.235 3.077 51 HG3 LYS 9 1HG LYS 9 -12.782 9.069 2.591 52 HD2 LYS 9 2HD LYS 9 -12.988 7.099 4.142 53 HD3 LYS 9 1HD LYS 9 -11.361 7.448 4.737 54 HE2 LYS 9 2HE LYS 9 -13.781 9.272 4.902 55 HE3 LYS 9 1HE LYS 9 -12.931 8.459 6.224 56 HZ1 LYS 9 3HZ LYS 9 -12.022 10.536 6.275 57 HZ2 LYS 9 1HZ LYS 9 -12.081 10.766 4.627 58 HZ3 LYS 9 2HZ LYS 9 -10.897 9.772 5.299 59 H ILE 10 H ILE 10 -8.946 6.906 0.531 60 HA ILE 10 HA ILE 10 -9.644 5.317 -1.877 61 HB ILE 10 HB ILE 10 -6.881 5.583 -0.698 62 HG12 ILE 10 2HG1 ILE 10 -7.586 7.849 -1.224 63 HG13 ILE 10 1HG1 ILE 10 -6.443 7.291 -2.429 64 HG21 ILE 10 1HG2 ILE 10 -6.657 5.261 -3.406 65 HG22 ILE 10 2HG2 ILE 10 -8.092 4.315 -3.054 66 HG23 ILE 10 3HG2 ILE 10 -6.575 3.972 -2.212 67 HD11 ILE 10 3HD1 ILE 10 -8.771 6.378 -3.495 68 HD12 ILE 10 1HD1 ILE 10 -7.971 7.878 -3.973 69 HD13 ILE 10 2HD1 ILE 10 -9.295 7.905 -2.776 70 H LYS 11 H LYS 11 -10.044 3.240 -1.565 71 HA LYS 11 HA LYS 11 -9.615 2.066 1.085 72 HB2 LYS 11 2HB LYS 11 -10.852 0.870 -1.408 73 HB3 LYS 11 1HB LYS 11 -10.911 0.197 0.207 74 HG2 LYS 11 2HG LYS 11 -12.278 2.165 0.985 75 HG3 LYS 11 1HG LYS 11 -12.091 2.879 -0.589 76 HD2 LYS 11 2HD LYS 11 -14.261 1.836 -0.472 77 HD3 LYS 11 1HD LYS 11 -13.264 0.975 -1.640 78 HE2 LYS 11 2HE LYS 11 -12.819 -0.810 -0.040 79 HE3 LYS 11 1HE LYS 11 -13.615 0.078 1.251 80 HZ1 LYS 11 3HZ LYS 11 -14.726 -1.659 -0.646 81 HZ2 LYS 11 1HZ LYS 11 -15.452 -0.147 -0.864 82 HZ3 LYS 11 2HZ LYS 11 -15.480 -0.916 0.652 83 H CYS 12 H CYS 12 -7.459 1.513 1.315 84 HA CYS 12 HA CYS 12 -6.402 -0.415 -0.619 85 HB2 CYS 12 2HB CYS 12 -4.913 0.918 -1.597 86 HB3 CYS 12 1HB CYS 12 -5.737 2.281 -0.850 87 HG CYS 12 HG CYS 12 -3.515 2.606 0.257 88 H SER 13 H SER 13 -4.251 -1.211 -0.046 89 HA SER 13 HA SER 13 -3.713 -1.229 2.826 90 HB2 SER 13 2HB SER 13 -3.513 -3.698 1.066 91 HB3 SER 13 1HB SER 13 -3.361 -3.627 2.805 92 HG SER 13 HG SER 13 -5.714 -2.640 1.642 93 H HIS 14 H HIS 14 -1.411 -1.335 3.250 94 HA HIS 14 HA HIS 14 0.264 -1.446 0.871 95 HB2 HIS 14 2HB HIS 14 1.007 0.650 0.841 96 HB3 HIS 14 1HB HIS 14 -0.454 1.038 1.747 97 HD2 HIS 14 2HD HIS 14 0.503 0.216 4.782 98 HE1 HIS 14 1HE HIS 14 3.880 2.626 4.086 99 HE2 HIS 14 2HE HIS 14 2.455 1.471 5.863 100 H ILE 15 H ILE 15 2.405 -1.814 1.117 101 HA ILE 15 HA ILE 15 3.314 -2.784 3.759 102 HB ILE 15 HB ILE 15 3.655 -4.092 1.052 103 HG12 ILE 15 2HG1 ILE 15 2.499 -5.202 3.597 104 HG13 ILE 15 1HG1 ILE 15 1.491 -4.417 2.419 105 HG21 ILE 15 1HG2 ILE 15 5.321 -4.240 3.452 106 HG22 ILE 15 2HG2 ILE 15 5.585 -4.898 1.833 107 HG23 ILE 15 3HG2 ILE 15 4.645 -5.809 3.001 108 HD11 ILE 15 3HD1 ILE 15 1.793 -7.002 2.295 109 HD12 ILE 15 1HD1 ILE 15 3.348 -6.616 1.546 110 HD13 ILE 15 2HD1 ILE 15 1.835 -6.061 0.813 111 H LEU 16 H LEU 16 5.183 -1.917 4.345 112 HA LEU 16 HA LEU 16 6.669 -0.306 2.375 113 HB2 LEU 16 2HB LEU 16 5.794 0.593 4.677 114 HB3 LEU 16 1HB LEU 16 7.124 -0.300 5.356 115 HG LEU 16 HG LEU 16 7.912 1.946 5.001 116 HD11 LEU 16 1HD1 LEU 16 9.846 1.551 3.899 117 HD12 LEU 16 2HD1 LEU 16 9.089 0.690 2.559 118 HD13 LEU 16 3HD1 LEU 16 9.347 -0.112 4.101 119 HD21 LEU 16 3HD2 LEU 16 7.640 3.190 3.017 120 HD22 LEU 16 1HD2 LEU 16 6.085 2.392 3.219 121 HD23 LEU 16 2HD2 LEU 16 7.258 1.771 2.062 122 H VAL 17 H VAL 17 8.387 -1.298 1.519 123 HA VAL 17 HA VAL 17 9.917 -3.154 3.220 124 HB VAL 17 HB VAL 17 10.517 -4.398 1.195 125 HG11 VAL 17 1HG1 VAL 17 8.341 -5.514 0.907 126 HG12 VAL 17 2HG1 VAL 17 7.529 -4.131 1.627 127 HG13 VAL 17 3HG1 VAL 17 8.607 -5.127 2.610 128 HG21 VAL 17 3HG2 VAL 17 9.883 -3.791 -0.888 129 HG22 VAL 17 1HG2 VAL 17 9.648 -2.184 -0.204 130 HG23 VAL 17 2HG2 VAL 17 8.272 -3.268 -0.369 131 H LYS 18 H LYS 18 12.081 -3.264 2.857 132 HA LYS 18 HA LYS 18 13.362 -0.773 2.688 133 HB2 LYS 18 2HB LYS 18 14.467 -3.582 2.680 134 HB3 LYS 18 1HB LYS 18 15.422 -2.121 2.935 135 HG2 LYS 18 2HG LYS 18 14.112 -1.531 4.927 136 HG3 LYS 18 1HG LYS 18 13.025 -2.867 4.630 137 HD2 LYS 18 2HD LYS 18 14.352 -3.878 6.169 138 HD3 LYS 18 1HD LYS 18 15.284 -4.299 4.751 139 HE2 LYS 18 2HE LYS 18 17.049 -3.126 5.491 140 HE3 LYS 18 1HE LYS 18 16.095 -1.665 5.654 141 HZ1 LYS 18 3HZ LYS 18 16.006 -3.834 7.706 142 HZ2 LYS 18 1HZ LYS 18 15.432 -2.271 7.809 143 HZ3 LYS 18 2HZ LYS 18 17.082 -2.539 7.791 144 H LYS 19 H LYS 19 13.173 -3.452 0.381 145 HA LYS 19 HA LYS 19 14.689 -1.799 -1.571 146 HB2 LYS 19 2HB LYS 19 14.431 -4.795 -1.387 147 HB3 LYS 19 1HB LYS 19 15.371 -3.907 -2.586 148 HG2 LYS 19 2HG LYS 19 16.721 -2.888 -0.745 149 HG3 LYS 19 1HG LYS 19 15.815 -3.854 0.407 150 HD2 LYS 19 2HD LYS 19 16.548 -5.925 -0.991 151 HD3 LYS 19 1HD LYS 19 17.731 -4.830 -1.705 152 HE2 LYS 19 2HE LYS 19 18.708 -6.035 0.201 153 HE3 LYS 19 1HE LYS 19 18.641 -4.308 0.522 154 HZ1 LYS 19 3HZ LYS 19 16.268 -5.807 1.358 155 HZ2 LYS 19 1HZ LYS 19 17.146 -4.594 2.168 156 HZ3 LYS 19 2HZ LYS 19 17.685 -6.208 2.147 157 H GLN 20 H GLN 20 14.013 -1.740 -3.737 158 HA GLN 20 HA GLN 20 11.228 -1.972 -4.233 159 HB2 GLN 20 2HB GLN 20 13.547 -1.725 -6.176 160 HB3 GLN 20 1HB GLN 20 11.862 -1.724 -6.663 161 HG2 GLN 20 2HG GLN 20 11.429 0.203 -5.189 162 HG3 GLN 20 1HG GLN 20 13.136 0.240 -4.746 163 HE21 GLN 20 1HE2 GLN 20 14.661 0.920 -6.408 164 HE22 GLN 20 2HE2 GLN 20 14.156 1.719 -7.811 165 H GLY 21 H GLY 21 13.990 -4.066 -4.908 166 HA2 GLY 21 2HA GLY 21 12.639 -5.985 -6.427 167 HA3 GLY 21 1HA GLY 21 14.073 -6.327 -5.452 168 H GLU 22 H GLU 22 12.978 -5.605 -2.958 169 HA GLU 22 HA GLU 22 11.638 -7.990 -2.151 170 HB2 GLU 22 2HB GLU 22 11.937 -5.286 -0.803 171 HB3 GLU 22 1HB GLU 22 11.257 -6.717 -0.064 172 HG2 GLU 22 2HG GLU 22 13.288 -7.927 -0.193 173 HG3 GLU 22 1HG GLU 22 14.072 -6.746 -1.246 174 H ALA 23 H ALA 23 10.609 -4.670 -2.760 175 HA ALA 23 HA ALA 23 7.881 -4.958 -2.122 176 HB1 ALA 23 1HB ALA 23 9.553 -2.982 -3.434 177 HB2 ALA 23 2HB ALA 23 8.083 -2.736 -2.504 178 HB3 ALA 23 3HB ALA 23 7.984 -3.099 -4.223 179 H LEU 24 H LEU 24 9.589 -5.274 -5.176 180 HA LEU 24 HA LEU 24 7.366 -5.962 -6.779 181 HB2 LEU 24 2HB LEU 24 10.308 -6.560 -7.059 182 HB3 LEU 24 1HB LEU 24 9.121 -6.922 -8.311 183 HG LEU 24 HG LEU 24 9.582 -4.158 -7.128 184 HD11 LEU 24 1HD1 LEU 24 10.812 -3.623 -9.091 185 HD12 LEU 24 2HD1 LEU 24 10.385 -5.168 -9.842 186 HD13 LEU 24 3HD1 LEU 24 11.488 -5.132 -8.467 187 HD21 LEU 24 3HD2 LEU 24 7.769 -5.292 -9.259 188 HD22 LEU 24 1HD2 LEU 24 8.354 -3.639 -9.407 189 HD23 LEU 24 2HD2 LEU 24 7.397 -4.115 -8.006 190 H ALA 25 H ALA 25 9.677 -7.878 -4.918 191 HA ALA 25 HA ALA 25 8.903 -10.417 -5.775 192 HB1 ALA 25 1HB ALA 25 10.912 -10.155 -4.469 193 HB2 ALA 25 2HB ALA 25 9.815 -11.217 -3.592 194 HB3 ALA 25 3HB ALA 25 9.996 -9.539 -3.092 195 H VAL 26 H VAL 26 7.677 -8.466 -3.056 196 HA VAL 26 HA VAL 26 5.720 -10.440 -2.349 197 HB VAL 26 HB VAL 26 4.806 -8.735 -0.844 198 HG11 VAL 26 1HG1 VAL 26 7.788 -8.469 -0.593 199 HG12 VAL 26 2HG1 VAL 26 7.056 -10.063 -0.449 200 HG13 VAL 26 3HG1 VAL 26 6.566 -8.753 0.635 201 HG21 VAL 26 3HG2 VAL 26 5.740 -6.504 -0.725 202 HG22 VAL 26 1HG2 VAL 26 5.255 -6.755 -2.399 203 HG23 VAL 26 2HG2 VAL 26 6.953 -6.878 -1.924 204 H GLN 27 H GLN 27 5.914 -7.665 -4.414 205 HA GLN 27 HA GLN 27 3.202 -7.188 -4.869 206 HB2 GLN 27 2HB GLN 27 5.131 -5.812 -5.699 207 HB3 GLN 27 1HB GLN 27 5.415 -7.026 -6.947 208 HG2 GLN 27 2HG GLN 27 2.973 -6.692 -7.630 209 HG3 GLN 27 1HG GLN 27 3.030 -5.364 -6.446 210 HE21 GLN 27 1HE2 GLN 27 3.381 -3.363 -7.480 211 HE22 GLN 27 2HE2 GLN 27 4.400 -3.189 -8.824 212 H GLU 28 H GLU 28 5.514 -9.302 -6.545 213 HA GLU 28 HA GLU 28 3.537 -10.436 -8.238 214 HB2 GLU 28 2HB GLU 28 6.306 -11.419 -7.594 215 HB3 GLU 28 1HB GLU 28 5.270 -12.094 -8.859 216 HG2 GLU 28 2HG GLU 28 6.228 -9.215 -8.717 217 HG3 GLU 28 1HG GLU 28 6.854 -10.454 -9.795 218 H ARG 29 H ARG 29 4.932 -11.336 -5.172 219 HA ARG 29 HA ARG 29 3.866 -13.944 -5.005 220 HB2 ARG 29 2HB ARG 29 5.584 -13.045 -3.420 221 HB3 ARG 29 1HB ARG 29 4.338 -12.012 -2.706 222 HG2 ARG 29 2HG ARG 29 3.000 -14.033 -2.153 223 HG3 ARG 29 1HG ARG 29 4.273 -15.058 -2.796 224 HD2 ARG 29 2HD ARG 29 4.563 -13.101 -0.502 225 HD3 ARG 29 1HD ARG 29 4.417 -14.836 -0.339 226 HE ARG 29 HE ARG 29 6.550 -14.555 -2.024 227 HH11 ARG 29 1HH2 ARG 29 5.720 -13.345 1.135 228 HH12 ARG 29 2HH2 ARG 29 7.341 -13.154 1.651 229 HH21 ARG 29 1HH1 ARG 29 8.715 -14.310 -1.338 230 HH22 ARG 29 2HH1 ARG 29 9.070 -13.694 0.219 231 H LEU 30 H LEU 30 2.567 -10.766 -4.325 232 HA LEU 30 HA LEU 30 0.205 -11.445 -2.977 233 HB2 LEU 30 2HB LEU 30 1.424 -9.094 -3.999 234 HB3 LEU 30 1HB LEU 30 -0.136 -9.206 -4.784 235 HG LEU 30 HG LEU 30 -0.217 -7.937 -2.643 236 HD11 LEU 30 1HD1 LEU 30 -2.243 -8.933 -1.856 237 HD12 LEU 30 2HD1 LEU 30 -1.773 -10.523 -2.418 238 HD13 LEU 30 3HD1 LEU 30 -2.168 -9.250 -3.588 239 HD21 LEU 30 3HD2 LEU 30 -0.149 -10.315 -0.916 240 HD22 LEU 30 1HD2 LEU 30 0.639 -8.761 -0.703 241 HD23 LEU 30 2HD2 LEU 30 1.410 -10.012 -1.665 242 H LYS 31 H LYS 31 1.166 -11.638 -6.283 243 HA LYS 31 HA LYS 31 -1.356 -11.652 -7.547 244 HB2 LYS 31 2HB LYS 31 1.067 -13.245 -8.446 245 HB3 LYS 31 1HB LYS 31 -0.254 -12.641 -9.428 246 HG2 LYS 31 2HG LYS 31 1.724 -10.862 -7.955 247 HG3 LYS 31 1HG LYS 31 1.752 -11.217 -9.692 248 HD2 LYS 31 2HD LYS 31 -0.507 -10.184 -9.839 249 HD3 LYS 31 1HD LYS 31 -0.422 -9.794 -8.146 250 HE2 LYS 31 2HE LYS 31 0.273 -7.839 -9.468 251 HE3 LYS 31 1HE LYS 31 1.596 -8.415 -8.472 252 HZ1 LYS 31 3HZ LYS 31 2.328 -7.931 -10.732 253 HZ2 LYS 31 1HZ LYS 31 1.196 -8.973 -11.367 254 HZ3 LYS 31 2HZ LYS 31 2.498 -9.593 -10.494 255 H ALA 32 H ALA 32 0.588 -14.157 -6.038 256 HA ALA 32 HA ALA 32 -0.908 -16.424 -6.757 257 HB1 ALA 32 1HB ALA 32 0.294 -17.577 -5.097 258 HB2 ALA 32 2HB ALA 32 0.445 -16.150 -4.071 259 HB3 ALA 32 3HB ALA 32 1.377 -16.271 -5.557 260 H GLY 33 H GLY 33 -1.557 -13.894 -4.518 261 HA2 GLY 33 2HA GLY 33 -3.754 -13.470 -3.698 262 HA3 GLY 33 1HA GLY 33 -4.115 -15.191 -3.775 263 H GLU 34 H GLU 34 -1.028 -14.391 -2.556 264 HA GLU 34 HA GLU 34 -1.464 -15.455 0.024 265 HB2 GLU 34 2HB GLU 34 0.657 -13.626 -1.114 266 HB3 GLU 34 1HB GLU 34 0.710 -14.226 0.543 267 HG2 GLU 34 2HG GLU 34 0.507 -16.047 -1.878 268 HG3 GLU 34 1HG GLU 34 2.024 -15.597 -1.131 269 H LYS 35 H LYS 35 -2.010 -14.473 1.920 270 HA LYS 35 HA LYS 35 -3.689 -12.283 1.836 271 HB2 LYS 35 2HB LYS 35 -3.786 -13.804 3.712 272 HB3 LYS 35 1HB LYS 35 -2.150 -13.430 4.182 273 HG2 LYS 35 2HG LYS 35 -3.698 -12.318 5.620 274 HG3 LYS 35 1HG LYS 35 -2.841 -11.073 4.722 275 HD2 LYS 35 2HD LYS 35 -4.865 -11.075 3.100 276 HD3 LYS 35 1HD LYS 35 -5.668 -12.110 4.266 277 HE2 LYS 35 2HE LYS 35 -4.844 -9.224 4.593 278 HE3 LYS 35 1HE LYS 35 -6.405 -9.970 4.874 279 HZ1 LYS 35 3HZ LYS 35 -5.876 -10.355 6.953 280 HZ2 LYS 35 1HZ LYS 35 -4.495 -9.460 6.796 281 HZ3 LYS 35 2HZ LYS 35 -4.408 -11.131 6.630 282 H PHE 36 H PHE 36 -3.347 -10.174 1.705 283 HA PHE 36 HA PHE 36 -0.856 -9.055 1.176 284 HB2 PHE 36 2HB PHE 36 -3.105 -8.047 0.616 285 HB3 PHE 36 1HB PHE 36 -3.279 -7.582 2.296 286 HD1 PHE 36 1HD PHE 36 -1.246 -7.118 -0.765 287 HD2 PHE 36 2HD PHE 36 -2.087 -5.679 3.200 288 HE1 PHE 36 1HE PHE 36 0.078 -5.079 -1.232 289 HE2 PHE 36 2HE PHE 36 -0.758 -3.642 2.729 290 HZ PHE 36 HZ PHE 36 0.326 -3.352 0.497 291 H GLY 37 H GLY 37 -2.753 -9.189 4.116 292 HA2 GLY 37 2HA GLY 37 -0.963 -7.841 5.845 293 HA3 GLY 37 1HA GLY 37 -2.190 -9.011 6.358 294 H LYS 38 H LYS 38 -1.021 -11.175 4.712 295 HA LYS 38 HA LYS 38 0.824 -12.241 6.583 296 HB2 LYS 38 2HB LYS 38 -0.444 -13.642 5.029 297 HB3 LYS 38 1HB LYS 38 0.445 -12.957 3.652 298 HG2 LYS 38 2HG LYS 38 2.557 -13.833 4.686 299 HG3 LYS 38 1HG LYS 38 1.563 -14.582 5.935 300 HD2 LYS 38 2HD LYS 38 0.325 -15.847 4.227 301 HD3 LYS 38 1HD LYS 38 1.320 -15.098 2.973 302 HE2 LYS 38 2HE LYS 38 3.350 -16.119 3.971 303 HE3 LYS 38 1HE LYS 38 2.349 -16.857 5.224 304 HZ1 LYS 38 3HZ LYS 38 1.721 -17.293 2.385 305 HZ2 LYS 38 1HZ LYS 38 1.352 -18.285 3.683 306 HZ3 LYS 38 2HZ LYS 38 2.938 -18.206 3.080 307 H LEU 39 H LEU 39 1.188 -10.767 3.390 308 HA LEU 39 HA LEU 39 4.025 -10.697 3.371 309 HB2 LEU 39 2HB LEU 39 1.896 -9.141 1.888 310 HB3 LEU 39 1HB LEU 39 3.586 -8.684 1.782 311 HG LEU 39 HG LEU 39 2.999 -10.180 -0.065 312 HD11 LEU 39 1HD1 LEU 39 5.238 -10.299 1.442 313 HD12 LEU 39 2HD1 LEU 39 4.990 -11.267 0.000 314 HD13 LEU 39 3HD1 LEU 39 4.670 -11.957 1.599 315 HD21 LEU 39 3HD2 LEU 39 2.531 -12.335 2.028 316 HD22 LEU 39 1HD2 LEU 39 2.308 -12.452 0.286 317 HD23 LEU 39 2HD2 LEU 39 1.214 -11.455 1.239 318 H ALA 40 H ALA 40 1.558 -8.457 4.453 319 HA ALA 40 HA ALA 40 3.199 -6.328 5.030 320 HB1 ALA 40 1HB ALA 40 1.478 -5.387 6.340 321 HB2 ALA 40 2HB ALA 40 0.839 -6.971 6.798 322 HB3 ALA 40 3HB ALA 40 0.642 -6.372 5.145 323 H LYS 41 H LYS 41 2.213 -8.981 7.109 324 HA LYS 41 HA LYS 41 3.773 -8.291 9.391 325 HB2 LYS 41 2HB LYS 41 2.628 -10.908 8.433 326 HB3 LYS 41 1HB LYS 41 3.464 -10.719 9.973 327 HG2 LYS 41 2HG LYS 41 1.831 -8.974 10.660 328 HG3 LYS 41 1HG LYS 41 0.994 -9.177 9.120 329 HD2 LYS 41 2HD LYS 41 0.409 -11.450 9.629 330 HD3 LYS 41 1HD LYS 41 1.364 -11.464 11.102 331 HE2 LYS 41 2HE LYS 41 -0.921 -9.520 10.660 332 HE3 LYS 41 1HE LYS 41 -1.146 -11.107 11.404 333 HZ1 LYS 41 3HZ LYS 41 -0.292 -10.386 13.305 334 HZ2 LYS 41 1HZ LYS 41 -0.366 -8.819 12.724 335 HZ3 LYS 41 2HZ LYS 41 1.057 -9.701 12.579 336 H GLU 42 H GLU 42 4.366 -10.264 6.563 337 HA GLU 42 HA GLU 42 6.702 -11.482 7.501 338 HB2 GLU 42 2HB GLU 42 5.415 -11.201 4.836 339 HB3 GLU 42 1HB GLU 42 6.969 -12.021 4.956 340 HG2 GLU 42 2HG GLU 42 4.518 -12.719 6.610 341 HG3 GLU 42 1HG GLU 42 4.935 -13.540 5.113 342 H LEU 43 H LEU 43 6.432 -8.640 5.291 343 HA LEU 43 HA LEU 43 9.331 -8.303 5.844 344 HB2 LEU 43 2HB LEU 43 9.222 -7.090 3.418 345 HB3 LEU 43 1HB LEU 43 9.797 -8.712 3.694 346 HG LEU 43 HG LEU 43 8.245 -8.640 1.857 347 HD11 LEU 43 1HD1 LEU 43 7.410 -10.646 2.335 348 HD12 LEU 43 2HD1 LEU 43 6.435 -10.013 3.650 349 HD13 LEU 43 3HD1 LEU 43 8.120 -10.454 3.938 350 HD21 LEU 43 3HD2 LEU 43 6.460 -7.245 3.837 351 HD22 LEU 43 1HD2 LEU 43 5.726 -8.262 2.594 352 HD23 LEU 43 2HD2 LEU 43 6.744 -6.911 2.131 353 H SER 44 H SER 44 6.339 -6.543 5.690 354 HA SER 44 HA SER 44 7.211 -4.080 5.158 355 HB2 SER 44 2HB SER 44 5.359 -4.590 7.467 356 HB3 SER 44 1HB SER 44 5.377 -3.197 6.391 357 HG SER 44 HG SER 44 4.503 -5.773 6.125 358 H ILE 45 H ILE 45 8.345 -2.477 6.164 359 HA ILE 45 HA ILE 45 9.488 -3.040 8.830 360 HB ILE 45 HB ILE 45 11.105 -1.232 8.328 361 HG12 ILE 45 2HG1 ILE 45 9.867 -1.267 5.568 362 HG13 ILE 45 1HG1 ILE 45 9.604 0.041 6.735 363 HG21 ILE 45 1HG2 ILE 45 11.013 -3.274 6.072 364 HG22 ILE 45 2HG2 ILE 45 11.596 -3.630 7.702 365 HG23 ILE 45 3HG2 ILE 45 12.423 -2.439 6.714 366 HD11 ILE 45 3HD1 ILE 45 12.392 -0.264 6.631 367 HD12 ILE 45 1HD1 ILE 45 11.449 0.999 5.835 368 HD13 ILE 45 2HD1 ILE 45 11.865 -0.487 4.978 369 H ASP 46 H ASP 46 6.953 -1.544 7.392 370 HA ASP 46 HA ASP 46 6.762 0.751 9.212 371 HB2 ASP 46 2HB ASP 46 5.965 0.982 6.882 372 HB3 ASP 46 1HB ASP 46 4.804 -0.312 7.158 373 H GLY 47 H GLY 47 6.301 0.199 11.230 374 HA2 GLY 47 2HA GLY 47 5.048 -2.196 12.021 375 HA3 GLY 47 1HA GLY 47 5.288 -0.784 13.045 376 H GLY 48 H GLY 48 3.738 1.093 11.667 377 HA2 GLY 48 2HA GLY 48 1.218 0.594 12.773 378 HA3 GLY 48 1HA GLY 48 1.539 1.812 11.531 379 H SER 49 H SER 49 2.291 0.352 9.440 380 HA SER 49 HA SER 49 -0.112 -0.711 8.406 381 HB2 SER 49 2HB SER 49 2.710 -1.171 7.442 382 HB3 SER 49 1HB SER 49 1.233 -1.375 6.501 383 HG SER 49 HG SER 49 2.490 1.019 7.428 384 H ALA 50 H ALA 50 2.648 -2.130 10.068 385 HA ALA 50 HA ALA 50 1.962 -4.847 9.547 386 HB1 ALA 50 1HB ALA 50 3.485 -3.901 11.972 387 HB2 ALA 50 2HB ALA 50 4.217 -3.920 10.369 388 HB3 ALA 50 3HB ALA 50 3.648 -5.418 11.091 389 H LYS 51 H LYS 51 1.170 -2.509 12.024 390 HA LYS 51 HA LYS 51 -0.154 -4.287 13.815 391 HB2 LYS 51 2HB LYS 51 -0.535 -1.307 13.374 392 HB3 LYS 51 1HB LYS 51 -1.228 -2.216 14.701 393 HG2 LYS 51 2HG LYS 51 1.770 -2.006 14.177 394 HG3 LYS 51 1HG LYS 51 0.876 -1.041 15.354 395 HD2 LYS 51 2HD LYS 51 0.216 -3.107 16.551 396 HD3 LYS 51 1HD LYS 51 1.074 -4.082 15.377 397 HE2 LYS 51 2HE LYS 51 2.421 -3.783 17.351 398 HE3 LYS 51 1HE LYS 51 3.207 -2.994 15.992 399 HZ1 LYS 51 3HZ LYS 51 3.056 -1.762 18.171 400 HZ2 LYS 51 1HZ LYS 51 1.430 -1.479 17.864 401 HZ3 LYS 51 2HZ LYS 51 2.614 -0.878 16.816 402 H ARG 52 H ARG 52 -1.174 -2.398 11.069 403 HA ARG 52 HA ARG 52 -3.861 -3.593 11.245 404 HB2 ARG 52 2HB ARG 52 -2.820 -1.352 9.525 405 HB3 ARG 52 1HB ARG 52 -4.437 -2.022 9.437 406 HG2 ARG 52 2HG ARG 52 -4.703 -1.456 11.936 407 HG3 ARG 52 1HG ARG 52 -3.178 -0.590 11.794 408 HD2 ARG 52 2HD ARG 52 -5.017 0.973 11.459 409 HD3 ARG 52 1HD ARG 52 -4.120 0.791 9.946 410 HE ARG 52 HE ARG 52 -6.220 -1.119 10.085 411 HH11 ARG 52 1HH2 ARG 52 -5.662 2.297 9.580 412 HH12 ARG 52 2HH2 ARG 52 -7.069 2.480 8.606 413 HH21 ARG 52 1HH1 ARG 52 -8.052 -0.841 8.787 414 HH22 ARG 52 2HH1 ARG 52 -8.429 0.702 8.152 415 H ASP 53 H ASP 53 -1.381 -5.003 10.456 416 HA ASP 53 HA ASP 53 -0.477 -6.202 8.736 417 HB2 ASP 53 2HB ASP 53 -1.655 -8.152 8.390 418 HB3 ASP 53 1HB ASP 53 -2.441 -7.531 9.832 419 H GLY 54 H GLY 54 -0.819 -3.774 7.804 420 HA2 GLY 54 2HA GLY 54 -0.504 -2.717 5.752 421 HA3 GLY 54 1HA GLY 54 -0.804 -4.268 4.986 422 H SER 55 H SER 55 -3.426 -4.267 6.701 423 HA SER 55 HA SER 55 -5.077 -3.245 4.604 424 HB2 SER 55 2HB SER 55 -5.939 -4.165 7.341 425 HB3 SER 55 1HB SER 55 -6.898 -4.119 5.866 426 HG SER 55 HG SER 55 -4.901 -5.835 6.756 427 H LEU 56 H LEU 56 -4.272 -1.071 4.660 428 HA LEU 56 HA LEU 56 -4.629 0.688 6.851 429 HB2 LEU 56 2HB LEU 56 -4.544 1.264 3.879 430 HB3 LEU 56 1HB LEU 56 -4.450 2.467 5.143 431 HG LEU 56 HG LEU 56 -2.480 0.173 4.888 432 HD11 LEU 56 1HD1 LEU 56 -2.102 1.495 3.022 433 HD12 LEU 56 2HD1 LEU 56 -0.938 2.110 4.195 434 HD13 LEU 56 3HD1 LEU 56 -2.431 3.006 3.861 435 HD21 LEU 56 3HD2 LEU 56 -2.789 2.519 6.779 436 HD22 LEU 56 1HD2 LEU 56 -1.172 1.962 6.343 437 HD23 LEU 56 2HD2 LEU 56 -2.301 0.861 7.114 438 H GLY 57 H GLY 57 -6.616 -0.276 4.148 439 HA2 GLY 57 2HA GLY 57 -8.939 -0.290 3.995 440 HA3 GLY 57 1HA GLY 57 -9.019 0.619 5.505 441 H TYR 58 H TYR 58 -10.307 2.258 4.842 442 HA TYR 58 HA TYR 58 -9.744 3.697 2.413 443 HB2 TYR 58 2HB TYR 58 -11.611 4.949 4.305 444 HB3 TYR 58 1HB TYR 58 -11.819 4.543 2.615 445 HD1 TYR 58 2HD TYR 58 -11.408 1.595 2.549 446 HD2 TYR 58 1HD TYR 58 -13.414 4.047 5.453 447 HE1 TYR 58 2HE TYR 58 -12.818 -0.313 3.200 448 HE2 TYR 58 1HE TYR 58 -14.813 2.140 6.100 449 HH TYR 58 HH TYR 58 -15.544 -0.057 4.555 450 H PHE 59 H PHE 59 -8.759 5.706 2.292 451 HA PHE 59 HA PHE 59 -8.325 7.198 4.765 452 HB2 PHE 59 2HB PHE 59 -5.939 7.561 4.331 453 HB3 PHE 59 1HB PHE 59 -6.268 5.850 4.566 454 HD1 PHE 59 2HD PHE 59 -5.390 8.466 2.111 455 HD2 PHE 59 1HD PHE 59 -6.148 4.264 2.685 456 HE1 PHE 59 2HE PHE 59 -4.395 7.971 -0.104 457 HE2 PHE 59 1HE PHE 59 -5.158 3.795 0.477 458 HZ PHE 59 HZ PHE 59 -4.274 5.647 -0.909 459 H GLY 60 H GLY 60 -7.867 9.421 4.445 460 HA2 GLY 60 2HA GLY 60 -9.005 10.411 1.968 461 HA3 GLY 60 1HA GLY 60 -8.747 11.355 3.408 462 H ARG 61 H ARG 61 -7.985 12.584 1.215 463 HA ARG 61 HA ARG 61 -5.255 12.020 0.420 464 HB2 ARG 61 2HB ARG 61 -7.230 14.168 -0.326 465 HB3 ARG 61 1HB ARG 61 -5.630 13.993 -1.044 466 HG2 ARG 61 2HG ARG 61 -6.147 11.746 -1.786 467 HG3 ARG 61 1HG ARG 61 -7.723 11.795 -1.017 468 HD2 ARG 61 2HD ARG 61 -6.853 13.720 -3.195 469 HD3 ARG 61 1HD ARG 61 -7.852 12.310 -3.514 470 HE ARG 61 HE ARG 61 -8.708 14.792 -2.403 471 HH11 ARG 61 1HH2 ARG 61 -9.169 11.362 -2.305 472 HH12 ARG 61 2HH2 ARG 61 -10.771 11.371 -1.732 473 HH21 ARG 61 1HH1 ARG 61 -10.900 14.902 -1.602 474 HH22 ARG 61 2HH1 ARG 61 -11.803 13.479 -1.310 475 H GLY 62 H GLY 62 -3.497 13.359 0.705 476 HA2 GLY 62 2HA GLY 62 -2.573 15.473 1.356 477 HA3 GLY 62 1HA GLY 62 -3.767 15.600 2.622 478 H LYS 63 H LYS 63 -3.682 13.357 4.003 479 HA LYS 63 HA LYS 63 -1.401 13.640 5.607 480 HB2 LYS 63 2HB LYS 63 -3.587 12.740 6.418 481 HB3 LYS 63 1HB LYS 63 -3.277 11.259 5.523 482 HG2 LYS 63 2HG LYS 63 -1.228 10.857 6.841 483 HG3 LYS 63 1HG LYS 63 -1.519 12.377 7.709 484 HD2 LYS 63 2HD LYS 63 -3.661 11.480 8.569 485 HD3 LYS 63 1HD LYS 63 -3.396 9.973 7.714 486 HE2 LYS 63 2HE LYS 63 -2.758 9.974 10.177 487 HE3 LYS 63 1HE LYS 63 -1.500 9.410 9.071 488 HZ1 LYS 63 3HZ LYS 63 -0.490 10.914 10.557 489 HZ2 LYS 63 1HZ LYS 63 -1.701 12.049 10.430 490 HZ3 LYS 63 2HZ LYS 63 -0.629 11.792 9.144 491 H MET 64 H MET 64 -2.156 11.333 3.106 492 HA MET 64 HA MET 64 0.156 9.677 3.573 493 HB2 MET 64 2HB MET 64 -1.632 9.744 1.140 494 HB3 MET 64 1HB MET 64 -0.624 8.415 1.685 495 HG2 MET 64 2HG MET 64 -2.987 9.513 3.273 496 HG3 MET 64 1HG MET 64 -2.999 8.050 2.304 497 HE1 MET 64 3HE MET 64 -0.575 6.388 2.671 498 HE2 MET 64 1HE MET 64 -2.287 5.977 2.833 499 HE3 MET 64 2HE MET 64 -1.123 5.433 4.038 500 H VAL 65 H VAL 65 1.926 9.438 2.087 501 HA VAL 65 HA VAL 65 2.868 11.908 1.045 502 HB VAL 65 HB VAL 65 4.833 10.626 0.265 503 HG11 VAL 65 1HG1 VAL 65 4.492 11.265 2.689 504 HG12 VAL 65 2HG1 VAL 65 5.588 9.909 2.437 505 HG13 VAL 65 3HG1 VAL 65 3.933 9.620 2.974 506 HG21 VAL 65 3HG2 VAL 65 3.687 8.581 -0.508 507 HG22 VAL 65 1HG2 VAL 65 3.205 8.208 1.150 508 HG23 VAL 65 2HG2 VAL 65 4.901 8.178 0.705 509 H LYS 66 H LYS 66 2.936 12.677 -0.988 510 HA LYS 66 HA LYS 66 0.862 12.280 -2.628 511 HB2 LYS 66 2HB LYS 66 3.242 13.796 -2.809 512 HB3 LYS 66 1HB LYS 66 3.053 12.977 -4.350 513 HG2 LYS 66 2HG LYS 66 0.662 14.308 -3.092 514 HG3 LYS 66 1HG LYS 66 1.839 15.284 -3.930 515 HD2 LYS 66 2HD LYS 66 0.773 14.775 -5.874 516 HD3 LYS 66 1HD LYS 66 1.433 13.164 -5.738 517 HE2 LYS 66 2HE LYS 66 -1.098 13.296 -6.011 518 HE3 LYS 66 1HE LYS 66 -0.517 12.328 -4.660 519 HZ1 LYS 66 3HZ LYS 66 -2.278 14.429 -4.531 520 HZ2 LYS 66 1HZ LYS 66 -0.860 15.064 -3.884 521 HZ3 LYS 66 2HZ LYS 66 -1.526 13.655 -3.215 522 HA PRO 67 HA PRO 67 3.201 9.323 -5.616 523 HB2 PRO 67 2HB PRO 67 5.047 7.678 -4.431 524 HB3 PRO 67 1HB PRO 67 5.445 9.182 -5.279 525 HG2 PRO 67 2HG PRO 67 5.137 8.741 -2.336 526 HG3 PRO 67 1HG PRO 67 6.367 9.657 -3.201 527 HD2 PRO 67 2HD PRO 67 4.401 10.971 -2.049 528 HD3 PRO 67 1HD PRO 67 4.960 11.471 -3.653 529 H PHE 68 H PHE 68 2.710 8.557 -2.233 530 HA PHE 68 HA PHE 68 1.708 5.888 -2.525 531 HB2 PHE 68 2HB PHE 68 2.420 6.866 -0.347 532 HB3 PHE 68 1HB PHE 68 0.988 7.912 -0.375 533 HD1 PHE 68 2HD PHE 68 -1.295 6.876 -0.262 534 HD2 PHE 68 1HD PHE 68 2.310 4.554 0.150 535 HE1 PHE 68 2HE PHE 68 -2.592 4.991 0.691 536 HE2 PHE 68 1HE PHE 68 1.017 2.708 1.080 537 HZ PHE 68 HZ PHE 68 -1.455 2.912 1.362 538 H GLU 69 H GLU 69 0.220 9.088 -2.344 539 HA GLU 69 HA GLU 69 -2.476 8.259 -2.688 540 HB2 GLU 69 2HB GLU 69 -1.091 10.860 -3.410 541 HB3 GLU 69 1HB GLU 69 -2.827 10.602 -3.462 542 HG2 GLU 69 2HG GLU 69 -2.888 10.168 -1.083 543 HG3 GLU 69 1HG GLU 69 -1.130 10.306 -0.966 544 H ASP 70 H ASP 70 0.071 9.287 -4.888 545 HA ASP 70 HA ASP 70 -1.356 9.311 -7.274 546 HB2 ASP 70 2HB ASP 70 0.907 10.176 -7.156 547 HB3 ASP 70 1HB ASP 70 1.551 8.591 -6.795 548 H ALA 71 H ALA 71 0.459 6.701 -5.752 549 HA ALA 71 HA ALA 71 -0.177 4.706 -7.683 550 HB1 ALA 71 1HB ALA 71 0.314 3.126 -5.720 551 HB2 ALA 71 2HB ALA 71 0.725 4.583 -4.811 552 HB3 ALA 71 3HB ALA 71 1.624 4.169 -6.271 553 H ALA 72 H ALA 72 -1.646 5.705 -4.630 554 HA ALA 72 HA ALA 72 -3.576 3.719 -4.446 555 HB1 ALA 72 1HB ALA 72 -4.613 4.997 -2.843 556 HB2 ALA 72 2HB ALA 72 -4.164 6.538 -3.589 557 HB3 ALA 72 3HB ALA 72 -2.943 5.558 -2.753 558 H PHE 73 H PHE 73 -3.847 6.919 -5.974 559 HA PHE 73 HA PHE 73 -6.508 6.590 -6.823 560 HB2 PHE 73 2HB PHE 73 -4.331 8.209 -8.186 561 HB3 PHE 73 1HB PHE 73 -6.045 8.399 -8.457 562 HD1 PHE 73 2HD PHE 73 -7.330 8.430 -5.899 563 HD2 PHE 73 1HD PHE 73 -3.466 9.968 -6.961 564 HE1 PHE 73 2HE PHE 73 -7.422 10.006 -3.993 565 HE2 PHE 73 1HE PHE 73 -3.566 11.534 -5.075 566 HZ PHE 73 HZ PHE 73 -5.511 11.570 -3.588 567 H ARG 74 H ARG 74 -3.407 5.845 -8.205 568 HA ARG 74 HA ARG 74 -4.138 5.112 -10.810 569 HB2 ARG 74 2HB ARG 74 -1.766 4.449 -9.081 570 HB3 ARG 74 1HB ARG 74 -1.905 3.838 -10.726 571 HG2 ARG 74 2HG ARG 74 -2.000 6.028 -11.661 572 HG3 ARG 74 1HG ARG 74 -2.259 6.778 -10.102 573 HD2 ARG 74 2HD ARG 74 0.064 7.109 -10.864 574 HD3 ARG 74 1HD ARG 74 0.022 6.153 -9.399 575 HE ARG 74 HE ARG 74 0.028 4.458 -11.685 576 HH11 ARG 74 1HH2 ARG 74 2.058 6.695 -9.873 577 HH12 ARG 74 2HH2 ARG 74 3.499 5.844 -10.227 578 HH21 ARG 74 1HH1 ARG 74 2.034 3.328 -12.123 579 HH22 ARG 74 2HH1 ARG 74 3.485 3.936 -11.494 580 H LEU 75 H LEU 75 -4.167 3.253 -7.839 581 HA LEU 75 HA LEU 75 -4.534 0.735 -9.282 582 HB2 LEU 75 2HB LEU 75 -4.625 1.220 -6.309 583 HB3 LEU 75 1HB LEU 75 -4.632 -0.316 -7.111 584 HG LEU 75 HG LEU 75 -2.365 1.668 -7.399 585 HD11 LEU 75 1HD1 LEU 75 -3.024 -0.422 -5.408 586 HD12 LEU 75 2HD1 LEU 75 -1.968 0.978 -5.266 587 HD13 LEU 75 3HD1 LEU 75 -1.403 -0.488 -6.071 588 HD21 LEU 75 3HD2 LEU 75 -1.628 0.273 -9.021 589 HD22 LEU 75 1HD2 LEU 75 -3.121 -0.649 -8.921 590 HD23 LEU 75 2HD2 LEU 75 -1.742 -1.097 -7.935 591 H GLN 76 H GLN 76 -6.662 3.112 -8.722 592 HA GLN 76 HA GLN 76 -8.740 2.182 -7.293 593 HB2 GLN 76 2HB GLN 76 -8.860 3.655 -9.911 594 HB3 GLN 76 1HB GLN 76 -10.275 3.339 -8.925 595 HG2 GLN 76 2HG GLN 76 -7.829 4.565 -7.686 596 HG3 GLN 76 1HG GLN 76 -8.986 5.600 -8.490 597 HE21 GLN 76 1HE2 GLN 76 -10.778 6.223 -7.189 598 HE22 GLN 76 2HE2 GLN 76 -11.175 5.501 -5.713 599 H VAL 77 H VAL 77 -7.644 0.770 -10.220 600 HA VAL 77 HA VAL 77 -9.942 -0.738 -10.881 601 HB VAL 77 HB VAL 77 -8.066 -0.403 -12.437 602 HG11 VAL 77 1HG1 VAL 77 -6.544 -2.474 -10.868 603 HG12 VAL 77 2HG1 VAL 77 -6.281 -0.739 -10.604 604 HG13 VAL 77 3HG1 VAL 77 -5.962 -1.460 -12.178 605 HG21 VAL 77 3HG2 VAL 77 -8.463 -2.389 -13.524 606 HG22 VAL 77 1HG2 VAL 77 -9.641 -2.625 -12.241 607 HG23 VAL 77 2HG2 VAL 77 -8.049 -3.373 -12.135 608 H GLY 78 H GLY 78 -7.550 -1.173 -8.411 609 HA2 GLY 78 2HA GLY 78 -8.274 -2.635 -6.472 610 HA3 GLY 78 1HA GLY 78 -8.776 -3.766 -7.683 611 H GLU 79 H GLU 79 -5.945 -2.290 -8.638 612 HA GLU 79 HA GLU 79 -4.614 -4.831 -8.496 613 HB2 GLU 79 2HB GLU 79 -4.681 -2.800 -10.353 614 HB3 GLU 79 1HB GLU 79 -3.106 -2.592 -9.619 615 HG2 GLU 79 2HG GLU 79 -3.003 -4.099 -11.531 616 HG3 GLU 79 1HG GLU 79 -2.572 -4.965 -10.056 617 H VAL 80 H VAL 80 -2.143 -4.726 -8.237 618 HA VAL 80 HA VAL 80 -1.464 -3.513 -5.656 619 HB VAL 80 HB VAL 80 0.192 -5.502 -7.235 620 HG11 VAL 80 1HG1 VAL 80 1.165 -5.983 -5.013 621 HG12 VAL 80 2HG1 VAL 80 0.131 -4.760 -4.299 622 HG13 VAL 80 3HG1 VAL 80 1.375 -4.293 -5.461 623 HG21 VAL 80 3HG2 VAL 80 -1.233 -6.622 -4.926 624 HG22 VAL 80 1HG2 VAL 80 -1.086 -7.254 -6.558 625 HG23 VAL 80 2HG2 VAL 80 -2.350 -6.092 -6.184 626 H SER 81 H SER 81 -0.040 -1.831 -5.629 627 HA SER 81 HA SER 81 0.454 -0.453 -8.054 628 HB2 SER 81 2HB SER 81 1.763 1.079 -6.595 629 HB3 SER 81 1HB SER 81 0.108 0.872 -6.101 630 HG SER 81 HG SER 81 2.507 0.002 -5.015 631 H GLU 82 H GLU 82 2.453 0.331 -8.760 632 HA GLU 82 HA GLU 82 4.663 -1.501 -8.911 633 HB2 GLU 82 2HB GLU 82 4.508 1.477 -9.452 634 HB3 GLU 82 1HB GLU 82 5.828 0.439 -9.943 635 HG2 GLU 82 2HG GLU 82 4.662 -0.412 -11.727 636 HG3 GLU 82 1HG GLU 82 3.188 -0.531 -10.785 637 HA PRO 83 HA PRO 83 6.757 -0.329 -5.159 638 HB2 PRO 83 2HB PRO 83 8.998 0.748 -6.819 639 HB3 PRO 83 1HB PRO 83 9.034 -0.418 -5.472 640 HG2 PRO 83 2HG PRO 83 9.317 -1.228 -8.001 641 HG3 PRO 83 1HG PRO 83 8.417 -2.196 -6.815 642 HD2 PRO 83 2HD PRO 83 7.306 -0.588 -9.099 643 HD3 PRO 83 1HD PRO 83 6.689 -2.023 -8.293 644 H VAL 84 H VAL 84 6.506 1.502 -3.942 645 HA VAL 84 HA VAL 84 6.488 4.136 -5.294 646 HB VAL 84 HB VAL 84 4.895 3.059 -2.969 647 HG11 VAL 84 1HG1 VAL 84 5.654 5.859 -3.571 648 HG12 VAL 84 2HG1 VAL 84 5.041 5.129 -2.086 649 HG13 VAL 84 3HG1 VAL 84 3.921 5.593 -3.349 650 HG21 VAL 84 3HG2 VAL 84 4.040 2.622 -5.277 651 HG22 VAL 84 1HG2 VAL 84 3.991 4.364 -5.568 652 HG23 VAL 84 2HG2 VAL 84 2.964 3.636 -4.334 653 H LYS 85 H LYS 85 8.004 5.542 -4.533 654 HA LYS 85 HA LYS 85 9.536 4.643 -2.192 655 HB2 LYS 85 2HB LYS 85 10.691 4.745 -4.404 656 HB3 LYS 85 1HB LYS 85 10.427 6.480 -4.411 657 HG2 LYS 85 2HG LYS 85 11.732 6.745 -2.365 658 HG3 LYS 85 1HG LYS 85 11.925 5.000 -2.224 659 HD2 LYS 85 2HD LYS 85 13.075 4.970 -4.428 660 HD3 LYS 85 1HD LYS 85 12.925 6.719 -4.487 661 HE2 LYS 85 2HE LYS 85 14.353 7.012 -2.586 662 HE3 LYS 85 1HE LYS 85 14.322 5.294 -2.208 663 HZ1 LYS 85 3HZ LYS 85 15.565 4.759 -3.979 664 HZ2 LYS 85 1HZ LYS 85 16.361 6.152 -3.489 665 HZ3 LYS 85 2HZ LYS 85 15.329 6.187 -4.846 666 H SER 86 H SER 86 9.728 5.856 -0.462 667 HA SER 86 HA SER 86 9.063 8.716 -0.553 668 HB2 SER 86 2HB SER 86 7.334 8.619 0.996 669 HB3 SER 86 1HB SER 86 7.037 7.156 0.076 670 HG SER 86 HG SER 86 7.398 6.085 1.820 671 H GLU 87 H GLU 87 9.167 9.309 2.010 672 HA GLU 87 HA GLU 87 11.922 9.002 2.749 673 HB2 GLU 87 2HB GLU 87 10.738 9.889 5.062 674 HB3 GLU 87 1HB GLU 87 11.261 10.931 3.752 675 HG2 GLU 87 2HG GLU 87 8.455 9.768 3.884 676 HG3 GLU 87 1HG GLU 87 8.916 11.309 4.589 677 H PHE 88 H PHE 88 8.918 7.419 3.454 678 HA PHE 88 HA PHE 88 9.671 5.943 5.747 679 HB2 PHE 88 2HB PHE 88 7.583 5.401 3.623 680 HB3 PHE 88 1HB PHE 88 7.787 4.427 5.067 681 HD1 PHE 88 1HD PHE 88 6.813 7.743 3.794 682 HD2 PHE 88 2HD PHE 88 7.285 5.276 7.277 683 HE1 PHE 88 1HE PHE 88 5.523 9.365 5.106 684 HE2 PHE 88 2HE PHE 88 5.987 6.906 8.611 685 HZ PHE 88 HZ PHE 88 5.098 8.960 7.526 686 H GLY 89 H GLY 89 9.926 5.347 2.293 687 HA2 GLY 89 2HA GLY 89 12.080 3.848 1.937 688 HA3 GLY 89 1HA GLY 89 11.056 2.675 2.726 689 H TYR 90 H TYR 90 10.591 1.294 1.084 690 HA TYR 90 HA TYR 90 9.332 2.458 -1.289 691 HB2 TYR 90 2HB TYR 90 10.724 -0.165 -0.816 692 HB3 TYR 90 1HB TYR 90 9.779 0.122 -2.256 693 HD1 TYR 90 1HD TYR 90 10.455 1.912 -3.881 694 HD2 TYR 90 2HD TYR 90 12.885 0.909 -0.481 695 HE1 TYR 90 1HE TYR 90 12.363 3.094 -4.904 696 HE2 TYR 90 2HE TYR 90 14.797 2.103 -1.488 697 HH TYR 90 HH TYR 90 15.429 2.672 -4.061 698 H HIS 91 H HIS 91 7.161 2.156 -1.497 699 HA HIS 91 HA HIS 91 5.845 0.300 0.383 700 HB2 HIS 91 2HB HIS 91 4.347 2.383 -1.219 701 HB3 HIS 91 1HB HIS 91 3.882 1.536 0.221 702 HD1 HIS 91 1HD HIS 91 3.716 3.164 2.043 703 HD2 HIS 91 2HD HIS 91 7.084 3.888 -0.318 704 HE1 HIS 91 1HE HIS 91 4.912 5.149 3.069 705 H VAL 92 H VAL 92 4.333 -1.119 -0.306 706 HA VAL 92 HA VAL 92 3.818 -1.397 -3.207 707 HB VAL 92 HB VAL 92 3.983 -3.545 -1.068 708 HG11 VAL 92 1HG1 VAL 92 2.871 -3.624 -3.879 709 HG12 VAL 92 2HG1 VAL 92 2.155 -4.244 -2.385 710 HG13 VAL 92 3HG1 VAL 92 3.526 -5.064 -3.112 711 HG21 VAL 92 3HG2 VAL 92 5.666 -4.516 -2.687 712 HG22 VAL 92 1HG2 VAL 92 6.162 -3.016 -1.913 713 HG23 VAL 92 2HG2 VAL 92 5.589 -3.009 -3.593 714 H ILE 93 H ILE 93 1.640 -0.947 -3.611 715 HA ILE 93 HA ILE 93 -0.123 -0.976 -1.267 716 HB ILE 93 HB ILE 93 -0.240 0.724 -3.768 717 HG12 ILE 93 2HG1 ILE 93 0.267 1.532 -0.889 718 HG13 ILE 93 1HG1 ILE 93 1.561 1.313 -2.077 719 HG21 ILE 93 1HG2 ILE 93 -2.051 1.907 -2.480 720 HG22 ILE 93 2HG2 ILE 93 -1.991 0.624 -1.290 721 HG23 ILE 93 3HG2 ILE 93 -2.493 0.266 -2.946 722 HD11 ILE 93 3HD1 ILE 93 1.225 3.498 -2.559 723 HD12 ILE 93 1HD1 ILE 93 -0.343 3.520 -1.766 724 HD13 ILE 93 2HD1 ILE 93 -0.219 2.952 -3.423 725 H LYS 94 H LYS 94 -1.768 -2.275 -1.317 726 HA LYS 94 HA LYS 94 -2.683 -3.358 -3.904 727 HB2 LYS 94 2HB LYS 94 -2.082 -5.195 -2.421 728 HB3 LYS 94 1HB LYS 94 -2.999 -4.466 -1.100 729 HG2 LYS 94 2HG LYS 94 -4.339 -6.245 -2.052 730 HG3 LYS 94 1HG LYS 94 -5.104 -4.725 -2.452 731 HD2 LYS 94 2HD LYS 94 -4.103 -4.796 -4.734 732 HD3 LYS 94 1HD LYS 94 -3.256 -6.276 -4.290 733 HE2 LYS 94 2HE LYS 94 -5.189 -7.012 -5.478 734 HE3 LYS 94 1HE LYS 94 -5.533 -7.298 -3.780 735 HZ1 LYS 94 3HZ LYS 94 -6.618 -4.865 -3.951 736 HZ2 LYS 94 1HZ LYS 94 -7.397 -6.273 -4.450 737 HZ3 LYS 94 2HZ LYS 94 -6.687 -5.333 -5.608 738 H ARG 95 H ARG 95 -4.636 -2.607 -4.562 739 HA ARG 95 HA ARG 95 -5.998 -0.793 -2.788 740 HB2 ARG 95 2HB ARG 95 -5.950 -0.325 -5.197 741 HB3 ARG 95 1HB ARG 95 -6.918 -1.766 -5.503 742 HG2 ARG 95 2HG ARG 95 -8.739 -0.862 -4.061 743 HG3 ARG 95 1HG ARG 95 -7.771 0.576 -3.748 744 HD2 ARG 95 2HD ARG 95 -7.750 1.049 -6.129 745 HD3 ARG 95 1HD ARG 95 -8.859 -0.275 -6.472 746 HE ARG 95 HE ARG 95 -9.453 2.316 -5.248 747 HH11 ARG 95 1HH2 ARG 95 -10.539 -0.956 -5.760 748 HH12 ARG 95 2HH2 ARG 95 -12.187 -0.624 -5.435 749 HH21 ARG 95 1HH1 ARG 95 -11.636 2.767 -4.783 750 HH22 ARG 95 2HH1 ARG 95 -12.817 1.542 -4.860 751 H LEU 96 H LEU 96 -7.865 -1.068 -1.747 752 HA LEU 96 HA LEU 96 -8.735 -3.840 -1.403 753 HB2 LEU 96 2HB LEU 96 -7.688 -2.845 0.565 754 HB3 LEU 96 1HB LEU 96 -8.750 -1.444 0.442 755 HG LEU 96 HG LEU 96 -10.705 -2.975 0.776 756 HD11 LEU 96 1HD1 LEU 96 -8.559 -5.001 1.506 757 HD12 LEU 96 2HD1 LEU 96 -9.550 -5.077 0.045 758 HD13 LEU 96 3HD1 LEU 96 -10.300 -5.221 1.624 759 HD21 LEU 96 3HD2 LEU 96 -9.988 -3.490 3.262 760 HD22 LEU 96 1HD2 LEU 96 -10.110 -1.819 2.722 761 HD23 LEU 96 2HD2 LEU 96 -8.532 -2.596 2.829 762 H GLY 97 H GLY 97 -10.839 -4.297 -1.774 763 HA2 GLY 97 2HA GLY 97 -12.542 -2.139 -2.783 764 HA3 GLY 97 1HA GLY 97 -12.785 -3.866 -3.005 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -17.739 3.893 -0.272 2 HA2 GLY 1 2HA GLY 1 -16.667 3.048 2.300 3 HA3 GLY 1 1HA GLY 1 -17.094 4.757 2.152 4 HA PRO 2 HA PRO 2 -20.878 2.529 3.667 5 HB2 PRO 2 2HB PRO 2 -21.335 5.299 4.657 6 HB3 PRO 2 1HB PRO 2 -21.547 3.754 5.498 7 HG2 PRO 2 2HG PRO 2 -19.494 5.274 6.084 8 HG3 PRO 2 1HG PRO 2 -19.265 3.523 5.934 9 HD2 PRO 2 2HD PRO 2 -18.533 5.671 3.977 10 HD3 PRO 2 1HD PRO 2 -17.631 4.204 4.421 11 H MET 3 H MET 3 -22.910 2.617 2.700 12 HA MET 3 HA MET 3 -23.191 3.985 0.266 13 HB2 MET 3 2HB MET 3 -24.439 1.871 0.923 14 HB3 MET 3 1HB MET 3 -25.482 2.876 1.921 15 HG2 MET 3 2HG MET 3 -26.491 2.484 -0.275 16 HG3 MET 3 1HG MET 3 -26.148 4.193 -0.067 17 HE1 MET 3 3HE MET 3 -24.648 1.320 -3.172 18 HE2 MET 3 1HE MET 3 -26.297 1.858 -2.810 19 HE3 MET 3 2HE MET 3 -25.397 0.897 -1.643 20 H GLY 4 H GLY 4 -24.189 5.829 -0.279 21 HA2 GLY 4 2HA GLY 4 -25.573 7.746 0.117 22 HA3 GLY 4 1HA GLY 4 -25.312 7.552 1.849 23 H SER 5 H SER 5 -22.558 7.126 1.913 24 HA SER 5 HA SER 5 -21.559 9.769 1.297 25 HB2 SER 5 2HB SER 5 -19.371 8.425 2.158 26 HB3 SER 5 1HB SER 5 -20.495 9.252 3.204 27 HG SER 5 HG SER 5 -20.829 6.487 2.423 28 H MET 6 H MET 6 -19.571 10.042 0.107 29 HA MET 6 HA MET 6 -19.606 8.487 -2.365 30 HB2 MET 6 2HB MET 6 -18.067 10.967 -1.544 31 HB3 MET 6 1HB MET 6 -18.004 10.218 -3.137 32 HG2 MET 6 2HG MET 6 -20.438 10.554 -3.417 33 HG3 MET 6 1HG MET 6 -20.517 11.313 -1.832 34 HE1 MET 6 3HE MET 6 -19.044 14.598 -1.970 35 HE2 MET 6 1HE MET 6 -17.791 13.367 -1.789 36 HE3 MET 6 2HE MET 6 -19.363 13.144 -1.046 37 H ALA 7 H ALA 7 -17.676 7.512 -3.175 38 HA ALA 7 HA ALA 7 -15.980 6.321 -1.173 39 HB1 ALA 7 1HB ALA 7 -15.095 5.024 -2.900 40 HB2 ALA 7 2HB ALA 7 -15.341 6.274 -4.118 41 HB3 ALA 7 3HB ALA 7 -16.711 5.352 -3.511 42 H ASP 8 H ASP 8 -15.763 8.912 -0.710 43 HA ASP 8 HA ASP 8 -13.882 10.397 -2.197 44 HB2 ASP 8 2HB ASP 8 -13.798 11.905 -0.332 45 HB3 ASP 8 1HB ASP 8 -15.468 11.384 -0.566 46 H LYS 9 H LYS 9 -13.586 8.267 0.517 47 HA LYS 9 HA LYS 9 -10.692 8.645 0.634 48 HB2 LYS 9 2HB LYS 9 -12.581 7.108 2.408 49 HB3 LYS 9 1HB LYS 9 -10.832 7.230 2.653 50 HG2 LYS 9 2HG LYS 9 -10.982 9.677 2.721 51 HG3 LYS 9 1HG LYS 9 -12.720 9.580 2.473 52 HD2 LYS 9 2HD LYS 9 -12.954 8.365 4.612 53 HD3 LYS 9 1HD LYS 9 -11.209 8.467 4.837 54 HE2 LYS 9 2HE LYS 9 -12.222 10.280 6.073 55 HE3 LYS 9 1HE LYS 9 -11.340 10.942 4.717 56 HZ1 LYS 9 3HZ LYS 9 -13.480 11.986 4.811 57 HZ2 LYS 9 1HZ LYS 9 -14.275 10.528 4.881 58 HZ3 LYS 9 2HZ LYS 9 -13.537 11.014 3.437 59 H ILE 10 H ILE 10 -9.297 6.830 0.739 60 HA ILE 10 HA ILE 10 -10.061 4.929 -1.370 61 HB ILE 10 HB ILE 10 -7.305 5.662 -0.379 62 HG12 ILE 10 2HG1 ILE 10 -8.406 7.638 -1.408 63 HG13 ILE 10 1HG1 ILE 10 -7.120 7.030 -2.416 64 HG21 ILE 10 1HG2 ILE 10 -8.395 3.821 -2.442 65 HG22 ILE 10 2HG2 ILE 10 -6.901 3.722 -1.510 66 HG23 ILE 10 3HG2 ILE 10 -6.995 4.777 -2.917 67 HD11 ILE 10 3HD1 ILE 10 -8.530 6.799 -4.113 68 HD12 ILE 10 1HD1 ILE 10 -9.903 7.272 -3.116 69 HD13 ILE 10 2HD1 ILE 10 -9.414 5.573 -3.214 70 H LYS 11 H LYS 11 -10.250 2.879 -0.875 71 HA LYS 11 HA LYS 11 -9.457 1.923 1.766 72 HB2 LYS 11 2HB LYS 11 -10.931 0.697 -0.529 73 HB3 LYS 11 1HB LYS 11 -10.553 -0.187 0.950 74 HG2 LYS 11 2HG LYS 11 -11.858 1.443 2.249 75 HG3 LYS 11 1HG LYS 11 -12.186 2.373 0.785 76 HD2 LYS 11 2HD LYS 11 -14.146 0.986 1.049 77 HD3 LYS 11 1HD LYS 11 -13.193 0.229 -0.192 78 HE2 LYS 11 2HE LYS 11 -13.120 -1.663 0.984 79 HE3 LYS 11 1HE LYS 11 -12.203 -0.857 2.248 80 HZ1 LYS 11 3HZ LYS 11 -13.940 -1.195 3.529 81 HZ2 LYS 11 1HZ LYS 11 -14.906 -1.731 2.284 82 HZ3 LYS 11 2HZ LYS 11 -14.853 -0.083 2.648 83 H CYS 12 H CYS 12 -7.291 1.529 1.759 84 HA CYS 12 HA CYS 12 -6.310 -0.314 -0.304 85 HB2 CYS 12 2HB CYS 12 -5.069 1.187 -1.389 86 HB3 CYS 12 1HB CYS 12 -5.694 2.466 -0.359 87 HG CYS 12 HG CYS 12 -3.003 0.961 0.048 88 H SER 13 H SER 13 -4.110 -1.060 0.118 89 HA SER 13 HA SER 13 -3.458 -1.129 2.951 90 HB2 SER 13 2HB SER 13 -3.243 -3.547 1.145 91 HB3 SER 13 1HB SER 13 -3.026 -3.492 2.881 92 HG SER 13 HG SER 13 -5.069 -4.144 2.700 93 H HIS 14 H HIS 14 -1.165 -1.246 3.313 94 HA HIS 14 HA HIS 14 0.452 -1.140 0.882 95 HB2 HIS 14 2HB HIS 14 1.227 0.936 1.140 96 HB3 HIS 14 1HB HIS 14 -0.191 1.198 2.147 97 HD2 HIS 14 2HD HIS 14 0.734 0.113 5.029 98 HE1 HIS 14 1HE HIS 14 4.326 2.249 4.481 99 HE2 HIS 14 2HE HIS 14 2.858 1.142 6.187 100 H ILE 15 H ILE 15 2.552 -1.645 1.019 101 HA ILE 15 HA ILE 15 3.438 -2.999 3.476 102 HB ILE 15 HB ILE 15 3.839 -3.805 0.588 103 HG12 ILE 15 2HG1 ILE 15 2.552 -5.347 2.849 104 HG13 ILE 15 1HG1 ILE 15 1.620 -4.361 1.728 105 HG21 ILE 15 1HG2 ILE 15 5.552 -4.301 2.822 106 HG22 ILE 15 2HG2 ILE 15 5.637 -4.963 1.192 107 HG23 ILE 15 3HG2 ILE 15 4.711 -5.802 2.426 108 HD11 ILE 15 3HD1 ILE 15 1.724 -6.766 1.072 109 HD12 ILE 15 1HD1 ILE 15 3.473 -6.608 0.890 110 HD13 ILE 15 2HD1 ILE 15 2.382 -5.686 -0.151 111 H LEU 16 H LEU 16 5.349 -2.222 4.191 112 HA LEU 16 HA LEU 16 6.801 -0.355 2.419 113 HB2 LEU 16 2HB LEU 16 5.991 0.513 4.635 114 HB3 LEU 16 1HB LEU 16 7.038 -0.663 5.426 115 HG LEU 16 HG LEU 16 9.020 0.377 4.283 116 HD11 LEU 16 1HD1 LEU 16 8.682 1.652 2.490 117 HD12 LEU 16 2HD1 LEU 16 7.980 2.883 3.523 118 HD13 LEU 16 3HD1 LEU 16 6.943 1.707 2.751 119 HD21 LEU 16 3HD2 LEU 16 9.226 2.017 5.895 120 HD22 LEU 16 1HD2 LEU 16 7.783 1.244 6.541 121 HD23 LEU 16 2HD2 LEU 16 7.637 2.694 5.562 122 H VAL 17 H VAL 17 8.641 -1.009 1.550 123 HA VAL 17 HA VAL 17 10.095 -3.265 2.782 124 HB VAL 17 HB VAL 17 10.736 -3.858 0.430 125 HG11 VAL 17 1HG1 VAL 17 9.132 -5.252 1.398 126 HG12 VAL 17 2HG1 VAL 17 8.360 -4.759 -0.108 127 HG13 VAL 17 3HG1 VAL 17 7.886 -4.003 1.417 128 HG21 VAL 17 3HG2 VAL 17 9.992 -1.531 -0.439 129 HG22 VAL 17 1HG2 VAL 17 8.352 -2.190 -0.407 130 HG23 VAL 17 2HG2 VAL 17 9.598 -2.936 -1.411 131 H LYS 18 H LYS 18 12.299 -3.249 2.629 132 HA LYS 18 HA LYS 18 13.606 -0.706 2.604 133 HB2 LYS 18 2HB LYS 18 14.671 -3.542 2.590 134 HB3 LYS 18 1HB LYS 18 15.673 -2.103 2.726 135 HG2 LYS 18 2HG LYS 18 14.503 -1.438 4.792 136 HG3 LYS 18 1HG LYS 18 13.451 -2.849 4.660 137 HD2 LYS 18 2HD LYS 18 15.405 -4.342 4.808 138 HD3 LYS 18 1HD LYS 18 16.473 -2.959 5.000 139 HE2 LYS 18 2HE LYS 18 14.157 -3.571 6.868 140 HE3 LYS 18 1HE LYS 18 15.810 -4.071 7.174 141 HZ1 LYS 18 3HZ LYS 18 16.038 -2.087 8.136 142 HZ2 LYS 18 1HZ LYS 18 14.616 -1.490 7.483 143 HZ3 LYS 18 2HZ LYS 18 16.037 -1.392 6.585 144 H LYS 19 H LYS 19 13.382 -3.426 0.365 145 HA LYS 19 HA LYS 19 14.889 -1.866 -1.654 146 HB2 LYS 19 2HB LYS 19 14.505 -4.831 -1.377 147 HB3 LYS 19 1HB LYS 19 15.357 -4.069 -2.716 148 HG2 LYS 19 2HG LYS 19 16.123 -3.802 0.207 149 HG3 LYS 19 1HG LYS 19 16.908 -4.877 -0.936 150 HD2 LYS 19 2HD LYS 19 17.180 -2.634 -2.372 151 HD3 LYS 19 1HD LYS 19 17.001 -1.880 -0.792 152 HE2 LYS 19 2HE LYS 19 19.334 -2.214 -1.033 153 HE3 LYS 19 1HE LYS 19 18.819 -3.506 0.041 154 HZ1 LYS 19 3HZ LYS 19 18.482 -4.591 -2.446 155 HZ2 LYS 19 1HZ LYS 19 19.836 -4.821 -1.457 156 HZ3 LYS 19 2HZ LYS 19 19.866 -3.623 -2.615 157 H GLN 20 H GLN 20 14.310 -1.859 -3.787 158 HA GLN 20 HA GLN 20 11.515 -1.866 -4.424 159 HB2 GLN 20 2HB GLN 20 13.974 -1.811 -6.212 160 HB3 GLN 20 1HB GLN 20 12.317 -1.609 -6.777 161 HG2 GLN 20 2HG GLN 20 12.043 0.383 -5.353 162 HG3 GLN 20 1HG GLN 20 13.680 0.171 -4.736 163 HE21 GLN 20 1HE2 GLN 20 13.887 2.470 -5.708 164 HE22 GLN 20 2HE2 GLN 20 14.327 2.582 -7.330 165 H GLY 21 H GLY 21 14.196 -4.097 -4.673 166 HA2 GLY 21 2HA GLY 21 12.994 -6.079 -6.310 167 HA3 GLY 21 1HA GLY 21 14.303 -6.358 -5.157 168 H GLU 22 H GLU 22 12.934 -5.446 -2.861 169 HA GLU 22 HA GLU 22 11.511 -7.769 -2.077 170 HB2 GLU 22 2HB GLU 22 11.759 -5.007 -0.849 171 HB3 GLU 22 1HB GLU 22 10.949 -6.377 -0.095 172 HG2 GLU 22 2HG GLU 22 12.945 -7.670 -0.018 173 HG3 GLU 22 1HG GLU 22 13.821 -6.549 -1.035 174 H ALA 23 H ALA 23 10.596 -4.513 -3.061 175 HA ALA 23 HA ALA 23 7.817 -4.753 -2.674 176 HB1 ALA 23 1HB ALA 23 7.702 -3.050 -4.648 177 HB2 ALA 23 2HB ALA 23 9.467 -3.034 -4.507 178 HB3 ALA 23 3HB ALA 23 8.466 -2.558 -3.141 179 H LEU 24 H LEU 24 9.799 -5.484 -5.515 180 HA LEU 24 HA LEU 24 7.655 -6.503 -7.123 181 HB2 LEU 24 2HB LEU 24 10.651 -6.791 -7.212 182 HB3 LEU 24 1HB LEU 24 9.641 -7.821 -8.206 183 HG LEU 24 HG LEU 24 10.481 -5.551 -9.209 184 HD11 LEU 24 1HD1 LEU 24 7.535 -6.186 -9.426 185 HD12 LEU 24 2HD1 LEU 24 8.806 -7.149 -10.183 186 HD13 LEU 24 3HD1 LEU 24 8.585 -5.471 -10.643 187 HD21 LEU 24 3HD2 LEU 24 7.984 -4.574 -7.763 188 HD22 LEU 24 1HD2 LEU 24 9.065 -3.649 -8.796 189 HD23 LEU 24 2HD2 LEU 24 9.628 -4.197 -7.222 190 H ALA 25 H ALA 25 9.905 -7.996 -4.863 191 HA ALA 25 HA ALA 25 9.191 -10.651 -5.287 192 HB1 ALA 25 1HB ALA 25 10.184 -11.162 -3.209 193 HB2 ALA 25 2HB ALA 25 9.884 -9.551 -2.564 194 HB3 ALA 25 3HB ALA 25 11.097 -9.786 -3.826 195 H VAL 26 H VAL 26 7.832 -8.332 -2.942 196 HA VAL 26 HA VAL 26 5.891 -10.180 -2.035 197 HB VAL 26 HB VAL 26 4.817 -8.361 -0.884 198 HG11 VAL 26 1HG1 VAL 26 7.277 -9.198 -0.298 199 HG12 VAL 26 2HG1 VAL 26 6.543 -7.855 0.570 200 HG13 VAL 26 3HG1 VAL 26 7.692 -7.534 -0.713 201 HG21 VAL 26 3HG2 VAL 26 4.949 -6.699 -2.811 202 HG22 VAL 26 1HG2 VAL 26 6.653 -6.481 -2.381 203 HG23 VAL 26 2HG2 VAL 26 5.382 -6.055 -1.233 204 H GLN 27 H GLN 27 5.822 -7.728 -4.575 205 HA GLN 27 HA GLN 27 3.064 -7.935 -5.150 206 HB2 GLN 27 2HB GLN 27 5.411 -7.213 -6.915 207 HB3 GLN 27 1HB GLN 27 3.755 -7.168 -7.488 208 HG2 GLN 27 2HG GLN 27 3.135 -5.611 -5.740 209 HG3 GLN 27 1HG GLN 27 4.767 -5.674 -5.069 210 HE21 GLN 27 1HE2 GLN 27 5.519 -3.626 -5.529 211 HE22 GLN 27 2HE2 GLN 27 5.562 -2.909 -7.068 212 H GLU 28 H GLU 28 5.832 -9.698 -6.490 213 HA GLU 28 HA GLU 28 4.231 -11.342 -8.139 214 HB2 GLU 28 2HB GLU 28 7.046 -11.697 -7.132 215 HB3 GLU 28 1HB GLU 28 6.254 -12.785 -8.285 216 HG2 GLU 28 2HG GLU 28 6.549 -9.792 -8.676 217 HG3 GLU 28 1HG GLU 28 7.567 -11.000 -9.433 218 H ARG 29 H ARG 29 5.391 -11.601 -4.871 219 HA ARG 29 HA ARG 29 4.559 -14.243 -4.371 220 HB2 ARG 29 2HB ARG 29 6.079 -12.997 -2.881 221 HB3 ARG 29 1HB ARG 29 4.745 -11.932 -2.435 222 HG2 ARG 29 2HG ARG 29 3.486 -13.799 -1.543 223 HG3 ARG 29 1HG ARG 29 4.739 -14.926 -2.064 224 HD2 ARG 29 2HD ARG 29 6.349 -13.909 -0.530 225 HD3 ARG 29 1HD ARG 29 5.171 -12.677 -0.090 226 HE ARG 29 HE ARG 29 4.151 -15.315 0.362 227 HH11 ARG 29 1HH2 ARG 29 6.344 -12.914 1.673 228 HH12 ARG 29 2HH2 ARG 29 6.089 -13.429 3.286 229 HH21 ARG 29 1HH1 ARG 29 3.856 -15.922 2.421 230 HH22 ARG 29 2HH1 ARG 29 4.701 -15.109 3.745 231 H LEU 30 H LEU 30 2.891 -11.142 -4.151 232 HA LEU 30 HA LEU 30 0.460 -12.068 -3.043 233 HB2 LEU 30 2HB LEU 30 1.260 -9.652 -4.602 234 HB3 LEU 30 1HB LEU 30 -0.445 -10.021 -4.566 235 HG LEU 30 HG LEU 30 0.232 -8.462 -2.761 236 HD11 LEU 30 1HD1 LEU 30 -1.378 -10.777 -2.524 237 HD12 LEU 30 2HD1 LEU 30 -1.488 -9.270 -1.639 238 HD13 LEU 30 3HD1 LEU 30 -0.513 -10.591 -1.002 239 HD21 LEU 30 3HD2 LEU 30 2.087 -10.745 -2.025 240 HD22 LEU 30 1HD2 LEU 30 1.385 -9.715 -0.770 241 HD23 LEU 30 2HD2 LEU 30 2.358 -8.994 -2.028 242 H LYS 31 H LYS 31 1.621 -11.932 -6.328 243 HA LYS 31 HA LYS 31 -0.804 -12.583 -7.656 244 HB2 LYS 31 2HB LYS 31 1.767 -13.735 -8.689 245 HB3 LYS 31 1HB LYS 31 0.448 -13.022 -9.587 246 HG2 LYS 31 2HG LYS 31 2.466 -11.556 -7.897 247 HG3 LYS 31 1HG LYS 31 2.433 -11.598 -9.641 248 HD2 LYS 31 2HD LYS 31 0.006 -10.505 -9.356 249 HD3 LYS 31 1HD LYS 31 0.583 -10.173 -7.745 250 HE2 LYS 31 2HE LYS 31 1.040 -8.309 -9.414 251 HE3 LYS 31 1HE LYS 31 2.427 -8.870 -8.497 252 HZ1 LYS 31 3HZ LYS 31 1.942 -10.265 -11.011 253 HZ2 LYS 31 1HZ LYS 31 3.413 -9.733 -10.368 254 HZ3 LYS 31 2HZ LYS 31 2.380 -8.660 -11.144 255 H ALA 32 H ALA 32 1.651 -14.491 -6.066 256 HA ALA 32 HA ALA 32 0.842 -17.046 -6.969 257 HB1 ALA 32 1HB ALA 32 3.055 -16.365 -5.815 258 HB2 ALA 32 2HB ALA 32 2.365 -17.944 -5.454 259 HB3 ALA 32 3HB ALA 32 2.172 -16.616 -4.304 260 H GLY 33 H GLY 33 -0.711 -14.909 -4.887 261 HA2 GLY 33 2HA GLY 33 -2.955 -15.409 -4.189 262 HA3 GLY 33 1HA GLY 33 -2.500 -17.085 -3.947 263 H GLU 34 H GLU 34 0.008 -15.264 -2.790 264 HA GLU 34 HA GLU 34 -0.620 -15.741 -0.037 265 HB2 GLU 34 2HB GLU 34 1.459 -13.996 -1.370 266 HB3 GLU 34 1HB GLU 34 1.371 -14.275 0.367 267 HG2 GLU 34 2HG GLU 34 1.408 -16.640 -1.462 268 HG3 GLU 34 1HG GLU 34 2.915 -15.816 -1.161 269 H LYS 35 H LYS 35 -1.382 -14.357 1.465 270 HA LYS 35 HA LYS 35 -3.100 -12.304 0.480 271 HB2 LYS 35 2HB LYS 35 -2.608 -13.561 3.095 272 HB3 LYS 35 1HB LYS 35 -3.108 -11.874 3.188 273 HG2 LYS 35 2HG LYS 35 -5.064 -12.324 1.815 274 HG3 LYS 35 1HG LYS 35 -4.556 -13.993 1.571 275 HD2 LYS 35 2HD LYS 35 -4.768 -14.440 3.979 276 HD3 LYS 35 1HD LYS 35 -5.248 -12.777 4.280 277 HE2 LYS 35 2HE LYS 35 -6.744 -14.782 2.557 278 HE3 LYS 35 1HE LYS 35 -7.227 -14.220 4.150 279 HZ1 LYS 35 3HZ LYS 35 -7.116 -12.607 1.637 280 HZ2 LYS 35 1HZ LYS 35 -7.226 -11.885 3.160 281 HZ3 LYS 35 2HZ LYS 35 -8.423 -12.926 2.611 282 H PHE 36 H PHE 36 -2.987 -10.162 0.631 283 HA PHE 36 HA PHE 36 -0.486 -8.871 0.497 284 HB2 PHE 36 2HB PHE 36 -2.717 -8.012 -0.403 285 HB3 PHE 36 1HB PHE 36 -3.130 -7.609 1.254 286 HD1 PHE 36 1HD PHE 36 -0.843 -6.871 -1.544 287 HD2 PHE 36 2HD PHE 36 -2.090 -5.755 2.411 288 HE1 PHE 36 1HE PHE 36 0.398 -4.739 -1.753 289 HE2 PHE 36 2HE PHE 36 -0.846 -3.622 2.197 290 HZ PHE 36 HZ PHE 36 0.396 -3.116 0.106 291 H GLY 37 H GLY 37 -2.895 -9.176 3.062 292 HA2 GLY 37 2HA GLY 37 -1.504 -7.751 5.046 293 HA3 GLY 37 1HA GLY 37 -2.742 -8.966 5.357 294 H LYS 38 H LYS 38 -1.307 -11.084 3.954 295 HA LYS 38 HA LYS 38 0.236 -12.142 6.065 296 HB2 LYS 38 2HB LYS 38 -0.869 -13.515 4.270 297 HB3 LYS 38 1HB LYS 38 0.326 -12.915 3.127 298 HG2 LYS 38 2HG LYS 38 2.126 -13.921 4.427 299 HG3 LYS 38 1HG LYS 38 0.985 -14.505 5.636 300 HD2 LYS 38 2HD LYS 38 -0.174 -15.833 3.878 301 HD3 LYS 38 1HD LYS 38 1.029 -15.291 2.696 302 HE2 LYS 38 2HE LYS 38 2.815 -16.328 4.014 303 HE3 LYS 38 1HE LYS 38 1.652 -16.866 5.220 304 HZ1 LYS 38 3HZ LYS 38 2.330 -18.542 3.470 305 HZ2 LYS 38 1HZ LYS 38 1.428 -17.664 2.346 306 HZ3 LYS 38 2HZ LYS 38 0.692 -18.371 3.706 307 H LEU 39 H LEU 39 1.120 -10.665 2.986 308 HA LEU 39 HA LEU 39 3.934 -10.621 3.394 309 HB2 LEU 39 2HB LEU 39 2.047 -9.201 1.554 310 HB3 LEU 39 1HB LEU 39 3.655 -8.545 1.765 311 HG LEU 39 HG LEU 39 3.482 -10.182 -0.141 312 HD11 LEU 39 1HD1 LEU 39 5.642 -10.830 0.189 313 HD12 LEU 39 2HD1 LEU 39 5.328 -11.413 1.834 314 HD13 LEU 39 3HD1 LEU 39 5.520 -9.706 1.532 315 HD21 LEU 39 3HD2 LEU 39 1.890 -11.715 1.285 316 HD22 LEU 39 1HD2 LEU 39 3.382 -12.360 1.968 317 HD23 LEU 39 2HD2 LEU 39 3.066 -12.479 0.243 318 H ALA 40 H ALA 40 1.358 -8.392 4.113 319 HA ALA 40 HA ALA 40 2.971 -6.255 4.870 320 HB1 ALA 40 1HB ALA 40 0.234 -6.980 5.917 321 HB2 ALA 40 2HB ALA 40 0.578 -5.924 4.550 322 HB3 ALA 40 3HB ALA 40 1.022 -5.431 6.189 323 H LYS 41 H LYS 41 1.528 -8.813 6.831 324 HA LYS 41 HA LYS 41 2.737 -8.019 9.280 325 HB2 LYS 41 2HB LYS 41 1.669 -10.670 8.337 326 HB3 LYS 41 1HB LYS 41 2.222 -10.369 9.985 327 HG2 LYS 41 2HG LYS 41 0.615 -8.543 10.197 328 HG3 LYS 41 1HG LYS 41 0.018 -8.843 8.560 329 HD2 LYS 41 2HD LYS 41 -0.588 -11.158 9.245 330 HD3 LYS 41 1HD LYS 41 -0.126 -10.793 10.903 331 HE2 LYS 41 2HE LYS 41 -2.294 -9.440 9.279 332 HE3 LYS 41 1HE LYS 41 -2.533 -10.501 10.664 333 HZ1 LYS 41 3HZ LYS 41 -1.951 -8.849 12.117 334 HZ2 LYS 41 1HZ LYS 41 -2.537 -7.940 10.827 335 HZ3 LYS 41 2HZ LYS 41 -0.853 -8.102 11.059 336 H GLU 42 H GLU 42 3.609 -10.391 6.809 337 HA GLU 42 HA GLU 42 5.845 -11.386 8.202 338 HB2 GLU 42 2HB GLU 42 4.915 -11.589 5.395 339 HB3 GLU 42 1HB GLU 42 6.370 -12.395 5.842 340 HG2 GLU 42 2HG GLU 42 4.946 -13.546 7.727 341 HG3 GLU 42 1HG GLU 42 3.575 -12.817 6.939 342 H LEU 43 H LEU 43 5.634 -9.067 5.513 343 HA LEU 43 HA LEU 43 8.542 -8.788 5.634 344 HB2 LEU 43 2HB LEU 43 8.092 -9.650 3.562 345 HB3 LEU 43 1HB LEU 43 6.555 -8.826 3.398 346 HG LEU 43 HG LEU 43 8.336 -8.018 1.862 347 HD11 LEU 43 1HD1 LEU 43 7.245 -6.128 1.813 348 HD12 LEU 43 2HD1 LEU 43 7.960 -5.552 3.319 349 HD13 LEU 43 3HD1 LEU 43 6.493 -6.549 3.339 350 HD21 LEU 43 3HD2 LEU 43 9.757 -6.313 3.704 351 HD22 LEU 43 1HD2 LEU 43 10.396 -7.517 2.600 352 HD23 LEU 43 2HD2 LEU 43 9.944 -7.995 4.226 353 H SER 44 H SER 44 5.610 -6.766 5.494 354 HA SER 44 HA SER 44 6.840 -4.386 4.929 355 HB2 SER 44 2HB SER 44 4.537 -4.755 6.860 356 HB3 SER 44 1HB SER 44 5.072 -3.235 6.213 357 HG SER 44 HG SER 44 3.327 -4.509 5.063 358 H ILE 45 H ILE 45 8.062 -2.926 5.933 359 HA ILE 45 HA ILE 45 9.090 -3.592 8.583 360 HB ILE 45 HB ILE 45 10.701 -1.780 8.185 361 HG12 ILE 45 2HG1 ILE 45 9.378 -1.520 5.459 362 HG13 ILE 45 1HG1 ILE 45 9.186 -0.348 6.766 363 HG21 ILE 45 1HG2 ILE 45 10.442 -3.642 5.786 364 HG22 ILE 45 2HG2 ILE 45 11.132 -4.110 7.339 365 HG23 ILE 45 3HG2 ILE 45 11.926 -2.887 6.359 366 HD11 ILE 45 3HD1 ILE 45 11.268 -0.547 4.832 367 HD12 ILE 45 1HD1 ILE 45 11.988 -0.828 6.413 368 HD13 ILE 45 2HD1 ILE 45 11.086 0.653 6.115 369 H ASP 46 H ASP 46 6.555 -1.975 7.321 370 HA ASP 46 HA ASP 46 6.333 0.119 9.380 371 HB2 ASP 46 2HB ASP 46 5.486 0.591 7.107 372 HB3 ASP 46 1HB ASP 46 4.390 -0.782 7.225 373 H GLY 47 H GLY 47 6.323 -1.135 11.212 374 HA2 GLY 47 2HA GLY 47 4.921 -3.516 11.597 375 HA3 GLY 47 1HA GLY 47 5.439 -2.443 12.891 376 H GLY 48 H GLY 48 3.998 -0.165 12.263 377 HA2 GLY 48 2HA GLY 48 1.544 -0.636 13.514 378 HA3 GLY 48 1HA GLY 48 1.897 0.788 12.535 379 H SER 49 H SER 49 2.353 -0.374 10.093 380 HA SER 49 HA SER 49 -0.314 -0.957 9.215 381 HB2 SER 49 2HB SER 49 2.359 -0.950 7.816 382 HB3 SER 49 1HB SER 49 0.873 -1.375 7.009 383 HG SER 49 HG SER 49 1.832 1.075 7.719 384 H ALA 50 H ALA 50 2.540 -2.835 10.032 385 HA ALA 50 HA ALA 50 1.730 -5.287 8.788 386 HB1 ALA 50 1HB ALA 50 3.469 -5.128 11.243 387 HB2 ALA 50 2HB ALA 50 4.085 -4.626 9.668 388 HB3 ALA 50 3HB ALA 50 3.547 -6.281 9.916 389 H LYS 51 H LYS 51 1.304 -3.806 11.878 390 HA LYS 51 HA LYS 51 0.048 -5.918 13.261 391 HB2 LYS 51 2HB LYS 51 -0.121 -2.911 13.513 392 HB3 LYS 51 1HB LYS 51 -0.834 -4.049 14.655 393 HG2 LYS 51 2HG LYS 51 1.305 -5.009 15.207 394 HG3 LYS 51 1HG LYS 51 2.132 -4.144 13.931 395 HD2 LYS 51 2HD LYS 51 2.559 -3.103 16.081 396 HD3 LYS 51 1HD LYS 51 1.619 -1.997 15.084 397 HE2 LYS 51 2HE LYS 51 -0.350 -2.415 16.235 398 HE3 LYS 51 1HE LYS 51 0.236 -3.904 16.966 399 HZ1 LYS 51 3HZ LYS 51 1.881 -2.510 18.210 400 HZ2 LYS 51 1HZ LYS 51 0.272 -2.199 18.604 401 HZ3 LYS 51 2HZ LYS 51 1.124 -1.126 17.598 402 H ARG 52 H ARG 52 -1.072 -3.412 11.085 403 HA ARG 52 HA ARG 52 -3.831 -4.414 11.275 404 HB2 ARG 52 2HB ARG 52 -2.762 -1.963 9.866 405 HB3 ARG 52 1HB ARG 52 -4.457 -2.409 10.072 406 HG2 ARG 52 2HG ARG 52 -4.043 -2.420 12.587 407 HG3 ARG 52 1HG ARG 52 -2.486 -1.675 12.262 408 HD2 ARG 52 2HD ARG 52 -5.199 -0.550 11.518 409 HD3 ARG 52 1HD ARG 52 -4.166 0.051 12.788 410 HE ARG 52 HE ARG 52 -3.940 0.516 9.961 411 HH11 ARG 52 1HH2 ARG 52 -2.189 0.344 12.948 412 HH12 ARG 52 2HH2 ARG 52 -0.996 1.496 12.528 413 HH21 ARG 52 1HH1 ARG 52 -2.359 2.052 9.345 414 HH22 ARG 52 2HH1 ARG 52 -1.074 2.469 10.406 415 H ASP 53 H ASP 53 -1.493 -5.707 9.897 416 HA ASP 53 HA ASP 53 -1.103 -6.979 8.038 417 HB2 ASP 53 2HB ASP 53 -3.815 -6.903 6.921 418 HB3 ASP 53 1HB ASP 53 -2.857 -8.261 7.405 419 H GLY 54 H GLY 54 -0.922 -4.095 7.803 420 HA2 GLY 54 2HA GLY 54 -0.373 -2.603 6.115 421 HA3 GLY 54 1HA GLY 54 -0.651 -3.885 4.948 422 H SER 55 H SER 55 -3.377 -4.041 6.629 423 HA SER 55 HA SER 55 -4.932 -2.794 4.626 424 HB2 SER 55 2HB SER 55 -6.244 -3.441 7.195 425 HB3 SER 55 1HB SER 55 -6.640 -3.934 5.559 426 HG SER 55 HG SER 55 -4.701 -4.927 7.361 427 H LEU 56 H LEU 56 -4.224 -0.636 4.646 428 HA LEU 56 HA LEU 56 -4.327 1.066 6.883 429 HB2 LEU 56 2HB LEU 56 -4.520 1.676 3.926 430 HB3 LEU 56 1HB LEU 56 -4.337 2.879 5.184 431 HG LEU 56 HG LEU 56 -2.392 0.582 4.804 432 HD11 LEU 56 1HD1 LEU 56 -0.893 2.316 3.860 433 HD12 LEU 56 2HD1 LEU 56 -2.257 3.445 3.878 434 HD13 LEU 56 3HD1 LEU 56 -2.328 1.984 2.885 435 HD21 LEU 56 3HD2 LEU 56 -2.559 2.981 6.636 436 HD22 LEU 56 1HD2 LEU 56 -0.983 2.358 6.147 437 HD23 LEU 56 2HD2 LEU 56 -2.090 1.313 7.006 438 H GLY 57 H GLY 57 -6.646 0.227 4.380 439 HA2 GLY 57 2HA GLY 57 -8.994 0.188 4.642 440 HA3 GLY 57 1HA GLY 57 -8.832 1.189 6.085 441 H TYR 58 H TYR 58 -10.224 2.818 5.490 442 HA TYR 58 HA TYR 58 -10.081 4.120 2.909 443 HB2 TYR 58 2HB TYR 58 -11.495 5.005 5.422 444 HB3 TYR 58 1HB TYR 58 -11.697 5.673 3.855 445 HD1 TYR 58 2HD TYR 58 -12.321 2.630 5.864 446 HD2 TYR 58 1HD TYR 58 -12.997 4.632 2.121 447 HE1 TYR 58 2HE TYR 58 -14.072 0.993 5.305 448 HE2 TYR 58 1HE TYR 58 -14.740 3.009 1.561 449 HH TYR 58 HH TYR 58 -16.311 1.202 3.560 450 H PHE 59 H PHE 59 -8.868 5.874 2.473 451 HA PHE 59 HA PHE 59 -8.315 7.769 4.589 452 HB2 PHE 59 2HB PHE 59 -5.923 8.005 3.979 453 HB3 PHE 59 1HB PHE 59 -6.285 6.459 4.737 454 HD1 PHE 59 1HD PHE 59 -5.503 8.157 1.536 455 HD2 PHE 59 2HD PHE 59 -6.189 4.383 3.482 456 HE1 PHE 59 1HE PHE 59 -4.622 6.970 -0.441 457 HE2 PHE 59 2HE PHE 59 -5.313 3.206 1.532 458 HZ PHE 59 HZ PHE 59 -4.516 4.480 -0.452 459 H GLY 60 H GLY 60 -7.902 9.842 3.870 460 HA2 GLY 60 2HA GLY 60 -8.719 10.338 1.094 461 HA3 GLY 60 1HA GLY 60 -8.823 11.490 2.411 462 H ARG 61 H ARG 61 -7.580 12.593 0.348 463 HA ARG 61 HA ARG 61 -4.775 12.018 0.326 464 HB2 ARG 61 2HB ARG 61 -6.273 14.399 -0.775 465 HB3 ARG 61 1HB ARG 61 -4.551 14.065 -0.962 466 HG2 ARG 61 2HG ARG 61 -5.210 11.833 -1.978 467 HG3 ARG 61 1HG ARG 61 -6.862 12.457 -2.086 468 HD2 ARG 61 2HD ARG 61 -4.446 13.238 -3.650 469 HD3 ARG 61 1HD ARG 61 -6.121 13.199 -4.117 470 HE ARG 61 HE ARG 61 -6.432 15.372 -3.261 471 HH11 ARG 61 1HH2 ARG 61 -3.179 14.161 -2.569 472 HH12 ARG 61 2HH2 ARG 61 -2.527 15.717 -2.315 473 HH21 ARG 61 1HH1 ARG 61 -5.527 17.428 -2.888 474 HH22 ARG 61 2HH1 ARG 61 -3.868 17.609 -2.484 475 H GLY 62 H GLY 62 -3.160 13.454 0.986 476 HA2 GLY 62 2HA GLY 62 -2.392 15.385 2.092 477 HA3 GLY 62 1HA GLY 62 -3.911 15.523 2.961 478 H LYS 63 H LYS 63 -3.948 12.667 3.578 479 HA LYS 63 HA LYS 63 -2.150 12.729 5.877 480 HB2 LYS 63 2HB LYS 63 -4.618 11.306 5.180 481 HB3 LYS 63 1HB LYS 63 -3.440 10.272 5.967 482 HG2 LYS 63 2HG LYS 63 -3.721 12.946 7.245 483 HG3 LYS 63 1HG LYS 63 -5.167 11.960 7.295 484 HD2 LYS 63 2HD LYS 63 -3.811 11.523 9.265 485 HD3 LYS 63 1HD LYS 63 -3.882 10.073 8.279 486 HE2 LYS 63 2HE LYS 63 -1.592 11.945 7.736 487 HE3 LYS 63 1HE LYS 63 -1.564 11.082 9.256 488 HZ1 LYS 63 3HZ LYS 63 -1.058 10.056 6.633 489 HZ2 LYS 63 1HZ LYS 63 -2.258 9.159 7.383 490 HZ3 LYS 63 2HZ LYS 63 -0.775 9.347 8.114 491 H MET 64 H MET 64 -2.082 11.676 2.714 492 HA MET 64 HA MET 64 0.057 9.717 3.290 493 HB2 MET 64 2HB MET 64 -1.582 9.592 0.787 494 HB3 MET 64 1HB MET 64 -0.757 8.298 1.649 495 HG2 MET 64 2HG MET 64 -3.271 9.718 2.606 496 HG3 MET 64 1HG MET 64 -3.212 8.133 1.860 497 HE1 MET 64 3HE MET 64 -1.491 5.924 3.388 498 HE2 MET 64 1HE MET 64 -3.082 6.266 2.681 499 HE3 MET 64 2HE MET 64 -2.948 5.775 4.352 500 H VAL 65 H VAL 65 1.740 9.666 1.637 501 HA VAL 65 HA VAL 65 2.336 12.303 0.630 502 HB VAL 65 HB VAL 65 4.447 11.285 -0.193 503 HG11 VAL 65 1HG1 VAL 65 4.180 12.105 2.155 504 HG12 VAL 65 2HG1 VAL 65 5.378 10.832 1.989 505 HG13 VAL 65 3HG1 VAL 65 3.786 10.458 2.653 506 HG21 VAL 65 3HG2 VAL 65 3.418 9.011 -0.667 507 HG22 VAL 65 1HG2 VAL 65 3.433 8.707 1.079 508 HG23 VAL 65 2HG2 VAL 65 4.940 8.970 0.213 509 H LYS 66 H LYS 66 2.688 12.910 -1.540 510 HA LYS 66 HA LYS 66 0.634 12.457 -3.208 511 HB2 LYS 66 2HB LYS 66 2.487 14.190 -3.439 512 HB3 LYS 66 1HB LYS 66 3.358 12.991 -4.391 513 HG2 LYS 66 2HG LYS 66 0.491 13.507 -5.119 514 HG3 LYS 66 1HG LYS 66 1.666 14.735 -5.518 515 HD2 LYS 66 2HD LYS 66 2.649 13.507 -7.143 516 HD3 LYS 66 1HD LYS 66 2.577 11.995 -6.254 517 HE2 LYS 66 2HE LYS 66 0.290 13.323 -7.745 518 HE3 LYS 66 1HE LYS 66 1.131 11.873 -8.238 519 HZ1 LYS 66 3HZ LYS 66 0.329 11.149 -5.751 520 HZ2 LYS 66 1HZ LYS 66 -0.550 10.901 -7.167 521 HZ3 LYS 66 2HZ LYS 66 -0.915 12.215 -6.221 522 HA PRO 67 HA PRO 67 2.948 9.140 -5.850 523 HB2 PRO 67 2HB PRO 67 4.782 7.620 -4.531 524 HB3 PRO 67 1HB PRO 67 5.218 9.043 -5.492 525 HG2 PRO 67 2HG PRO 67 4.927 8.798 -2.532 526 HG3 PRO 67 1HG PRO 67 6.123 9.679 -3.479 527 HD2 PRO 67 2HD PRO 67 4.099 11.000 -2.351 528 HD3 PRO 67 1HD PRO 67 4.735 11.475 -3.931 529 H PHE 68 H PHE 68 2.550 8.694 -2.400 530 HA PHE 68 HA PHE 68 1.615 6.002 -2.415 531 HB2 PHE 68 2HB PHE 68 2.372 7.202 -0.352 532 HB3 PHE 68 1HB PHE 68 0.890 8.171 -0.418 533 HD1 PHE 68 2HD PHE 68 -1.342 7.015 -0.250 534 HD2 PHE 68 1HD PHE 68 2.378 4.952 0.416 535 HE1 PHE 68 2HE PHE 68 -2.549 5.171 0.850 536 HE2 PHE 68 1HE PHE 68 1.161 3.122 1.511 537 HZ PHE 68 HZ PHE 68 -1.311 3.226 1.725 538 H GLU 69 H GLU 69 0.015 9.140 -2.430 539 HA GLU 69 HA GLU 69 -2.656 8.194 -2.606 540 HB2 GLU 69 2HB GLU 69 -1.390 10.808 -3.469 541 HB3 GLU 69 1HB GLU 69 -3.125 10.513 -3.487 542 HG2 GLU 69 2HG GLU 69 -3.091 10.099 -1.048 543 HG3 GLU 69 1HG GLU 69 -1.336 10.331 -1.063 544 H ASP 70 H ASP 70 -0.202 9.073 -4.911 545 HA ASP 70 HA ASP 70 -1.656 9.052 -7.294 546 HB2 ASP 70 2HB ASP 70 0.871 9.652 -6.905 547 HB3 ASP 70 1HB ASP 70 1.108 7.930 -7.040 548 H ALA 71 H ALA 71 0.123 6.412 -5.757 549 HA ALA 71 HA ALA 71 -0.737 4.435 -7.613 550 HB1 ALA 71 1HB ALA 71 1.007 3.505 -6.524 551 HB2 ALA 71 2HB ALA 71 -0.201 2.989 -5.349 552 HB3 ALA 71 3HB ALA 71 0.734 4.459 -5.070 553 H ALA 72 H ALA 72 -2.002 5.496 -4.478 554 HA ALA 72 HA ALA 72 -3.924 3.479 -4.174 555 HB1 ALA 72 1HB ALA 72 -4.250 6.321 -3.194 556 HB2 ALA 72 2HB ALA 72 -3.170 5.161 -2.429 557 HB3 ALA 72 3HB ALA 72 -4.905 4.843 -2.491 558 H PHE 73 H PHE 73 -4.273 6.733 -5.532 559 HA PHE 73 HA PHE 73 -6.987 6.324 -6.322 560 HB2 PHE 73 2HB PHE 73 -4.958 8.455 -6.970 561 HB3 PHE 73 1HB PHE 73 -6.521 8.417 -7.768 562 HD1 PHE 73 1HD PHE 73 -4.826 8.841 -4.481 563 HD2 PHE 73 2HD PHE 73 -8.595 8.840 -6.562 564 HE1 PHE 73 1HE PHE 73 -5.895 9.865 -2.533 565 HE2 PHE 73 2HE PHE 73 -9.669 9.881 -4.598 566 HZ PHE 73 HZ PHE 73 -8.327 10.397 -2.574 567 H ARG 74 H ARG 74 -3.902 5.980 -7.981 568 HA ARG 74 HA ARG 74 -5.007 5.656 -10.546 569 HB2 ARG 74 2HB ARG 74 -2.340 4.863 -9.399 570 HB3 ARG 74 1HB ARG 74 -2.771 4.603 -11.085 571 HG2 ARG 74 2HG ARG 74 -3.174 6.960 -11.448 572 HG3 ARG 74 1HG ARG 74 -2.988 7.329 -9.743 573 HD2 ARG 74 2HD ARG 74 -0.948 7.914 -10.921 574 HD3 ARG 74 1HD ARG 74 -0.651 6.554 -9.846 575 HE ARG 74 HE ARG 74 -1.321 5.630 -12.455 576 HH11 ARG 74 1HH2 ARG 74 1.227 7.199 -10.626 577 HH12 ARG 74 2HH2 ARG 74 2.482 6.576 -11.600 578 HH21 ARG 74 1HH1 ARG 74 0.360 4.802 -13.749 579 HH22 ARG 74 2HH1 ARG 74 1.986 5.193 -13.414 580 H LEU 75 H LEU 75 -4.198 3.244 -8.057 581 HA LEU 75 HA LEU 75 -5.103 1.115 -9.877 582 HB2 LEU 75 2HB LEU 75 -3.824 0.722 -7.178 583 HB3 LEU 75 1HB LEU 75 -4.082 -0.453 -8.436 584 HG LEU 75 HG LEU 75 -2.318 1.991 -8.733 585 HD11 LEU 75 1HD1 LEU 75 -0.521 0.652 -8.534 586 HD12 LEU 75 2HD1 LEU 75 -1.425 -0.854 -8.852 587 HD13 LEU 75 3HD1 LEU 75 -1.580 -0.038 -7.294 588 HD21 LEU 75 3HD2 LEU 75 -3.078 -0.252 -10.644 589 HD22 LEU 75 1HD2 LEU 75 -1.650 0.756 -10.857 590 HD23 LEU 75 2HD2 LEU 75 -3.241 1.488 -10.897 591 H GLN 76 H GLN 76 -7.096 2.827 -8.784 592 HA GLN 76 HA GLN 76 -8.472 1.798 -6.605 593 HB2 GLN 76 2HB GLN 76 -9.560 2.988 -9.159 594 HB3 GLN 76 1HB GLN 76 -10.555 2.633 -7.756 595 HG2 GLN 76 2HG GLN 76 -9.296 4.108 -6.355 596 HG3 GLN 76 1HG GLN 76 -8.076 4.361 -7.583 597 HE21 GLN 76 1HE2 GLN 76 -8.346 6.372 -8.515 598 HE22 GLN 76 2HE2 GLN 76 -9.842 7.121 -8.841 599 H VAL 77 H VAL 77 -8.039 0.420 -9.736 600 HA VAL 77 HA VAL 77 -10.184 -1.377 -9.754 601 HB VAL 77 HB VAL 77 -8.822 -0.919 -11.741 602 HG11 VAL 77 1HG1 VAL 77 -6.612 -0.940 -10.353 603 HG12 VAL 77 2HG1 VAL 77 -6.589 -1.591 -11.990 604 HG13 VAL 77 3HG1 VAL 77 -6.672 -2.685 -10.616 605 HG21 VAL 77 3HG2 VAL 77 -8.719 -3.186 -12.596 606 HG22 VAL 77 1HG2 VAL 77 -10.101 -3.095 -11.506 607 HG23 VAL 77 2HG2 VAL 77 -8.604 -3.850 -10.970 608 H GLY 78 H GLY 78 -7.082 -1.493 -8.068 609 HA2 GLY 78 2HA GLY 78 -7.286 -2.810 -5.900 610 HA3 GLY 78 1HA GLY 78 -7.890 -4.089 -6.931 611 H GLU 79 H GLU 79 -5.729 -2.816 -8.816 612 HA GLU 79 HA GLU 79 -3.917 -4.936 -8.566 613 HB2 GLU 79 2HB GLU 79 -3.795 -2.314 -10.005 614 HB3 GLU 79 1HB GLU 79 -2.465 -3.450 -10.029 615 HG2 GLU 79 2HG GLU 79 -3.910 -5.194 -10.931 616 HG3 GLU 79 1HG GLU 79 -5.320 -4.147 -10.868 617 H VAL 80 H VAL 80 -1.818 -5.052 -7.826 618 HA VAL 80 HA VAL 80 -1.175 -3.395 -5.535 619 HB VAL 80 HB VAL 80 0.649 -5.449 -6.827 620 HG11 VAL 80 1HG1 VAL 80 1.401 -5.748 -4.533 621 HG12 VAL 80 2HG1 VAL 80 0.358 -4.418 -4.019 622 HG13 VAL 80 3HG1 VAL 80 1.693 -4.114 -5.140 623 HG21 VAL 80 3HG2 VAL 80 -1.747 -6.367 -6.319 624 HG22 VAL 80 1HG2 VAL 80 -1.335 -6.078 -4.628 625 HG23 VAL 80 2HG2 VAL 80 -0.376 -7.190 -5.588 626 H SER 81 H SER 81 0.161 -1.655 -5.622 627 HA SER 81 HA SER 81 0.935 -0.635 -8.168 628 HB2 SER 81 2HB SER 81 1.995 1.158 -6.691 629 HB3 SER 81 1HB SER 81 0.260 0.976 -6.568 630 HG SER 81 HG SER 81 0.507 -0.131 -4.720 631 H GLU 82 H GLU 82 2.904 -0.064 -8.888 632 HA GLU 82 HA GLU 82 5.070 -1.864 -8.588 633 HB2 GLU 82 2HB GLU 82 5.367 1.029 -9.448 634 HB3 GLU 82 1HB GLU 82 6.306 -0.351 -9.971 635 HG2 GLU 82 2HG GLU 82 4.898 -0.024 -11.792 636 HG3 GLU 82 1HG GLU 82 4.055 -1.262 -10.863 637 HA PRO 83 HA PRO 83 7.019 -0.453 -4.884 638 HB2 PRO 83 2HB PRO 83 9.392 0.472 -6.420 639 HB3 PRO 83 1HB PRO 83 9.300 -0.653 -5.052 640 HG2 PRO 83 2HG PRO 83 9.751 -1.555 -7.491 641 HG3 PRO 83 1HG PRO 83 8.688 -2.454 -6.397 642 HD2 PRO 83 2HD PRO 83 7.891 -0.737 -8.740 643 HD3 PRO 83 1HD PRO 83 7.174 -2.233 -8.114 644 H VAL 84 H VAL 84 6.528 1.416 -3.876 645 HA VAL 84 HA VAL 84 6.477 3.945 -5.377 646 HB VAL 84 HB VAL 84 5.211 3.144 -2.755 647 HG11 VAL 84 1HG1 VAL 84 5.617 5.736 -3.954 648 HG12 VAL 84 2HG1 VAL 84 4.824 5.321 -2.435 649 HG13 VAL 84 3HG1 VAL 84 3.891 5.362 -3.923 650 HG21 VAL 84 3HG2 VAL 84 4.254 1.953 -4.721 651 HG22 VAL 84 1HG2 VAL 84 3.951 3.500 -5.507 652 HG23 VAL 84 2HG2 VAL 84 3.103 3.070 -4.025 653 H LYS 85 H LYS 85 8.265 5.154 -5.085 654 HA LYS 85 HA LYS 85 9.949 4.767 -2.769 655 HB2 LYS 85 2HB LYS 85 10.866 5.211 -5.076 656 HB3 LYS 85 1HB LYS 85 10.197 6.833 -4.953 657 HG2 LYS 85 2HG LYS 85 11.537 7.316 -2.967 658 HG3 LYS 85 1HG LYS 85 12.203 5.681 -2.978 659 HD2 LYS 85 2HD LYS 85 13.179 6.133 -5.238 660 HD3 LYS 85 1HD LYS 85 12.538 7.767 -5.145 661 HE2 LYS 85 2HE LYS 85 14.703 8.104 -4.372 662 HE3 LYS 85 1HE LYS 85 13.830 7.889 -2.870 663 HZ1 LYS 85 3HZ LYS 85 15.139 6.178 -2.415 664 HZ2 LYS 85 1HZ LYS 85 15.929 6.333 -3.878 665 HZ3 LYS 85 2HZ LYS 85 14.606 5.311 -3.781 666 H SER 86 H SER 86 10.133 6.110 -1.011 667 HA SER 86 HA SER 86 8.835 8.692 -1.016 668 HB2 SER 86 2HB SER 86 7.425 8.179 0.802 669 HB3 SER 86 1HB SER 86 7.234 6.789 -0.249 670 HG SER 86 HG SER 86 8.301 5.599 1.124 671 H GLU 87 H GLU 87 9.404 9.777 1.040 672 HA GLU 87 HA GLU 87 12.154 9.565 1.753 673 HB2 GLU 87 2HB GLU 87 11.485 11.014 3.692 674 HB3 GLU 87 1HB GLU 87 11.018 11.683 2.133 675 HG2 GLU 87 2HG GLU 87 8.679 10.652 2.518 676 HG3 GLU 87 1HG GLU 87 9.247 10.203 4.107 677 H PHE 88 H PHE 88 9.188 8.189 2.891 678 HA PHE 88 HA PHE 88 10.069 7.047 5.339 679 HB2 PHE 88 2HB PHE 88 7.818 6.361 3.449 680 HB3 PHE 88 1HB PHE 88 8.116 5.450 4.898 681 HD1 PHE 88 2HD PHE 88 8.111 6.680 7.162 682 HD2 PHE 88 1HD PHE 88 6.727 8.495 3.512 683 HE1 PHE 88 2HE PHE 88 6.901 8.403 8.468 684 HE2 PHE 88 1HE PHE 88 5.519 10.212 4.832 685 HZ PHE 88 HZ PHE 88 5.606 10.163 7.303 686 H GLY 89 H GLY 89 9.972 5.932 1.999 687 HA2 GLY 89 2HA GLY 89 12.116 4.388 1.740 688 HA3 GLY 89 1HA GLY 89 11.082 3.335 2.711 689 H TYR 90 H TYR 90 10.830 1.790 1.038 690 HA TYR 90 HA TYR 90 9.381 2.748 -1.325 691 HB2 TYR 90 2HB TYR 90 10.984 0.266 -0.785 692 HB3 TYR 90 1HB TYR 90 9.964 0.398 -2.202 693 HD1 TYR 90 2HD TYR 90 10.375 2.277 -3.859 694 HD2 TYR 90 1HD TYR 90 13.077 1.420 -0.624 695 HE1 TYR 90 2HE TYR 90 12.123 3.602 -4.970 696 HE2 TYR 90 1HE TYR 90 14.829 2.758 -1.744 697 HH TYR 90 HH TYR 90 15.302 3.439 -4.228 698 H HIS 91 H HIS 91 7.284 2.318 -1.496 699 HA HIS 91 HA HIS 91 6.116 0.369 0.386 700 HB2 HIS 91 2HB HIS 91 4.532 2.530 -0.995 701 HB3 HIS 91 1HB HIS 91 4.101 1.548 0.376 702 HD1 HIS 91 1HD HIS 91 4.188 2.809 2.469 703 HD2 HIS 91 2HD HIS 91 7.128 4.094 -0.180 704 HE1 HIS 91 1HE HIS 91 5.430 4.699 3.628 705 H VAL 92 H VAL 92 4.519 -0.976 -0.309 706 HA VAL 92 HA VAL 92 4.059 -1.198 -3.214 707 HB VAL 92 HB VAL 92 3.629 -3.509 -1.350 708 HG11 VAL 92 1HG1 VAL 92 3.266 -4.585 -3.259 709 HG12 VAL 92 2HG1 VAL 92 4.855 -4.127 -3.858 710 HG13 VAL 92 3HG1 VAL 92 3.477 -3.074 -4.149 711 HG21 VAL 92 3HG2 VAL 92 5.885 -2.947 -0.741 712 HG22 VAL 92 1HG2 VAL 92 6.318 -2.583 -2.411 713 HG23 VAL 92 2HG2 VAL 92 6.013 -4.249 -1.918 714 H ILE 93 H ILE 93 2.041 -0.340 -3.516 715 HA ILE 93 HA ILE 93 0.174 -0.468 -1.244 716 HB ILE 93 HB ILE 93 0.275 1.454 -3.587 717 HG12 ILE 93 2HG1 ILE 93 0.961 1.943 -0.677 718 HG13 ILE 93 1HG1 ILE 93 2.188 1.598 -1.896 719 HG21 ILE 93 1HG2 ILE 93 -1.353 2.725 -2.333 720 HG22 ILE 93 2HG2 ILE 93 -1.338 1.545 -1.033 721 HG23 ILE 93 3HG2 ILE 93 -1.998 1.109 -2.613 722 HD11 ILE 93 3HD1 ILE 93 1.138 3.504 -3.241 723 HD12 ILE 93 1HD1 ILE 93 2.091 3.942 -1.821 724 HD13 ILE 93 2HD1 ILE 93 0.322 3.949 -1.742 725 H LYS 94 H LYS 94 -1.547 -1.699 -1.450 726 HA LYS 94 HA LYS 94 -2.563 -2.220 -4.160 727 HB2 LYS 94 2HB LYS 94 -1.905 -4.372 -3.398 728 HB3 LYS 94 1HB LYS 94 -2.581 -4.118 -1.791 729 HG2 LYS 94 2HG LYS 94 -4.829 -4.073 -2.650 730 HG3 LYS 94 1HG LYS 94 -4.249 -4.082 -4.320 731 HD2 LYS 94 2HD LYS 94 -3.483 -6.345 -4.093 732 HD3 LYS 94 1HD LYS 94 -3.737 -6.319 -2.345 733 HE2 LYS 94 2HE LYS 94 -5.547 -7.392 -3.972 734 HE3 LYS 94 1HE LYS 94 -6.059 -6.491 -2.541 735 HZ1 LYS 94 3HZ LYS 94 -5.699 -5.116 -5.160 736 HZ2 LYS 94 1HZ LYS 94 -6.694 -4.685 -3.851 737 HZ3 LYS 94 2HZ LYS 94 -7.063 -6.011 -4.846 738 H ARG 95 H ARG 95 -4.640 -1.874 -4.561 739 HA ARG 95 HA ARG 95 -6.046 -0.324 -2.568 740 HB2 ARG 95 2HB ARG 95 -6.101 -0.179 -5.303 741 HB3 ARG 95 1HB ARG 95 -7.573 -1.085 -4.983 742 HG2 ARG 95 2HG ARG 95 -7.035 1.292 -3.259 743 HG3 ARG 95 1HG ARG 95 -7.558 1.611 -4.897 744 HD2 ARG 95 2HD ARG 95 -9.008 -0.206 -2.929 745 HD3 ARG 95 1HD ARG 95 -9.453 1.452 -3.286 746 HE ARG 95 HE ARG 95 -9.387 0.059 -5.724 747 HH11 ARG 95 1HH2 ARG 95 -11.078 -0.067 -2.678 748 HH12 ARG 95 2HH2 ARG 95 -12.552 -0.574 -3.368 749 HH21 ARG 95 1HH1 ARG 95 -11.261 -0.629 -6.621 750 HH22 ARG 95 2HH1 ARG 95 -12.676 -0.930 -5.694 751 H LEU 96 H LEU 96 -7.887 -0.906 -1.511 752 HA LEU 96 HA LEU 96 -8.339 -3.771 -1.366 753 HB2 LEU 96 2HB LEU 96 -7.384 -2.828 0.646 754 HB3 LEU 96 1HB LEU 96 -8.562 -1.529 0.647 755 HG LEU 96 HG LEU 96 -10.380 -3.139 1.049 756 HD11 LEU 96 1HD1 LEU 96 -8.130 -5.188 1.002 757 HD12 LEU 96 2HD1 LEU 96 -9.492 -5.078 -0.123 758 HD13 LEU 96 3HD1 LEU 96 -9.776 -5.505 1.554 759 HD21 LEU 96 3HD2 LEU 96 -9.058 -4.149 3.251 760 HD22 LEU 96 1HD2 LEU 96 -9.751 -2.534 3.151 761 HD23 LEU 96 2HD2 LEU 96 -8.044 -2.776 2.829 762 H GLY 97 H GLY 97 -10.223 -4.412 -2.049 763 HA2 GLY 97 2HA GLY 97 -12.678 -3.595 -1.514 764 HA3 GLY 97 1HA GLY 97 -12.234 -2.502 -2.798 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -20.755 -2.748 -5.127 2 HA2 GLY 1 2HA GLY 1 -19.094 -0.619 -4.409 3 HA3 GLY 1 1HA GLY 1 -20.204 -0.014 -5.639 4 HA PRO 2 HA PRO 2 -22.917 -1.566 -1.866 5 HB2 PRO 2 2HB PRO 2 -20.821 -1.295 0.233 6 HB3 PRO 2 1HB PRO 2 -22.128 -2.485 0.075 7 HG2 PRO 2 2HG PRO 2 -19.656 -3.201 -0.469 8 HG3 PRO 2 1HG PRO 2 -20.984 -3.762 -1.493 9 HD2 PRO 2 2HD PRO 2 -18.970 -1.616 -2.064 10 HD3 PRO 2 1HD PRO 2 -19.692 -2.817 -3.152 11 H MET 3 H MET 3 -24.118 0.030 -0.908 12 HA MET 3 HA MET 3 -23.413 2.729 -1.279 13 HB2 MET 3 2HB MET 3 -25.591 1.477 0.407 14 HB3 MET 3 1HB MET 3 -25.460 3.203 0.092 15 HG2 MET 3 2HG MET 3 -25.597 2.778 -2.354 16 HG3 MET 3 1HG MET 3 -25.744 1.054 -2.034 17 HE1 MET 3 3HE MET 3 -28.621 2.575 -3.626 18 HE2 MET 3 1HE MET 3 -29.021 0.967 -3.015 19 HE3 MET 3 2HE MET 3 -27.413 1.307 -3.636 20 H GLY 4 H GLY 4 -22.745 4.310 0.119 21 HA2 GLY 4 2HA GLY 4 -22.100 5.193 2.223 22 HA3 GLY 4 1HA GLY 4 -22.016 3.553 2.866 23 H SER 5 H SER 5 -20.641 2.802 0.241 24 HA SER 5 HA SER 5 -17.947 3.316 1.180 25 HB2 SER 5 2HB SER 5 -18.574 1.914 -1.396 26 HB3 SER 5 1HB SER 5 -17.270 1.641 -0.254 27 HG SER 5 HG SER 5 -19.985 0.909 -0.170 28 H MET 6 H MET 6 -17.509 5.452 0.850 29 HA MET 6 HA MET 6 -17.903 6.560 -1.834 30 HB2 MET 6 2HB MET 6 -17.080 7.873 0.767 31 HB3 MET 6 1HB MET 6 -17.198 8.709 -0.771 32 HG2 MET 6 2HG MET 6 -19.596 8.105 -0.940 33 HG3 MET 6 1HG MET 6 -19.482 7.235 0.584 34 HE1 MET 6 3HE MET 6 -19.090 10.298 -1.357 35 HE2 MET 6 1HE MET 6 -17.844 10.971 -0.292 36 HE3 MET 6 2HE MET 6 -19.464 11.653 -0.316 37 H ALA 7 H ALA 7 -16.292 7.099 -3.177 38 HA ALA 7 HA ALA 7 -13.690 5.950 -2.562 39 HB1 ALA 7 1HB ALA 7 -14.688 5.314 -4.678 40 HB2 ALA 7 2HB ALA 7 -13.220 6.249 -4.944 41 HB3 ALA 7 3HB ALA 7 -14.797 7.013 -5.168 42 H ASP 8 H ASP 8 -14.862 8.770 -1.758 43 HA ASP 8 HA ASP 8 -13.035 10.704 -2.786 44 HB2 ASP 8 2HB ASP 8 -13.621 11.978 -0.768 45 HB3 ASP 8 1HB ASP 8 -15.072 11.309 -1.509 46 H LYS 9 H LYS 9 -13.149 8.551 -0.112 47 HA LYS 9 HA LYS 9 -10.352 8.918 0.677 48 HB2 LYS 9 2HB LYS 9 -12.585 7.144 1.687 49 HB3 LYS 9 1HB LYS 9 -10.956 7.191 2.362 50 HG2 LYS 9 2HG LYS 9 -11.203 9.552 2.916 51 HG3 LYS 9 1HG LYS 9 -12.801 9.593 2.182 52 HD2 LYS 9 2HD LYS 9 -13.559 7.870 3.840 53 HD3 LYS 9 1HD LYS 9 -11.953 7.965 4.568 54 HE2 LYS 9 2HE LYS 9 -12.226 10.258 5.122 55 HE3 LYS 9 1HE LYS 9 -13.738 10.367 4.225 56 HZ1 LYS 9 3HZ LYS 9 -13.997 10.183 6.621 57 HZ2 LYS 9 1HZ LYS 9 -13.298 8.667 6.645 58 HZ3 LYS 9 2HZ LYS 9 -14.795 8.917 5.853 59 H ILE 10 H ILE 10 -8.959 7.049 0.580 60 HA ILE 10 HA ILE 10 -9.675 5.211 -1.614 61 HB ILE 10 HB ILE 10 -6.987 5.757 -0.358 62 HG12 ILE 10 2HG1 ILE 10 -7.983 6.664 -3.041 63 HG13 ILE 10 1HG1 ILE 10 -8.003 7.749 -1.636 64 HG21 ILE 10 1HG2 ILE 10 -7.776 3.588 -1.882 65 HG22 ILE 10 2HG2 ILE 10 -6.130 4.193 -1.746 66 HG23 ILE 10 3HG2 ILE 10 -7.132 4.693 -3.098 67 HD11 ILE 10 3HD1 ILE 10 -5.903 7.282 -3.444 68 HD12 ILE 10 1HD1 ILE 10 -5.420 6.472 -1.955 69 HD13 ILE 10 2HD1 ILE 10 -5.817 8.190 -1.935 70 H LYS 11 H LYS 11 -10.143 3.170 -1.006 71 HA LYS 11 HA LYS 11 -9.494 2.304 1.722 72 HB2 LYS 11 2HB LYS 11 -11.200 0.946 -0.409 73 HB3 LYS 11 1HB LYS 11 -10.911 0.415 1.235 74 HG2 LYS 11 2HG LYS 11 -11.989 2.324 2.214 75 HG3 LYS 11 1HG LYS 11 -12.104 3.134 0.658 76 HD2 LYS 11 2HD LYS 11 -14.261 2.143 1.307 77 HD3 LYS 11 1HD LYS 11 -13.666 1.447 -0.173 78 HE2 LYS 11 2HE LYS 11 -12.875 0.072 2.382 79 HE3 LYS 11 1HE LYS 11 -14.517 -0.143 1.799 80 HZ1 LYS 11 3HZ LYS 11 -12.018 -0.896 0.363 81 HZ2 LYS 11 1HZ LYS 11 -13.518 -0.633 -0.389 82 HZ3 LYS 11 2HZ LYS 11 -13.406 -1.808 0.797 83 H CYS 12 H CYS 12 -7.388 1.636 1.724 84 HA CYS 12 HA CYS 12 -6.576 -0.348 -0.303 85 HB2 CYS 12 2HB CYS 12 -5.226 1.034 -1.408 86 HB3 CYS 12 1HB CYS 12 -5.873 2.369 -0.467 87 HG CYS 12 HG CYS 12 -3.301 2.319 -0.037 88 H SER 13 H SER 13 -4.349 -1.114 0.041 89 HA SER 13 HA SER 13 -3.659 -1.269 2.852 90 HB2 SER 13 2HB SER 13 -3.430 -3.640 0.989 91 HB3 SER 13 1HB SER 13 -3.261 -3.617 2.729 92 HG SER 13 HG SER 13 -5.292 -4.128 2.681 93 H HIS 14 H HIS 14 -1.331 -1.365 3.168 94 HA HIS 14 HA HIS 14 0.248 -1.418 0.734 95 HB2 HIS 14 2HB HIS 14 1.248 0.597 0.857 96 HB3 HIS 14 1HB HIS 14 -0.341 1.036 1.451 97 HD2 HIS 14 2HD HIS 14 0.152 0.091 4.652 98 HE1 HIS 14 1HE HIS 14 3.453 2.714 4.528 99 HE2 HIS 14 2HE HIS 14 1.893 1.443 6.051 100 H ILE 15 H ILE 15 2.392 -1.826 0.917 101 HA ILE 15 HA ILE 15 3.312 -2.941 3.499 102 HB ILE 15 HB ILE 15 3.787 -3.957 0.678 103 HG12 ILE 15 2HG1 ILE 15 2.631 -5.486 2.975 104 HG13 ILE 15 1HG1 ILE 15 1.562 -4.482 2.033 105 HG21 ILE 15 1HG2 ILE 15 5.470 -4.212 2.984 106 HG22 ILE 15 2HG2 ILE 15 5.604 -5.026 1.423 107 HG23 ILE 15 3HG2 ILE 15 4.668 -5.758 2.716 108 HD11 ILE 15 3HD1 ILE 15 1.685 -6.857 1.240 109 HD12 ILE 15 1HD1 ILE 15 3.398 -6.596 0.870 110 HD13 ILE 15 2HD1 ILE 15 2.145 -5.680 0.012 111 H LEU 16 H LEU 16 5.119 -1.962 4.183 112 HA LEU 16 HA LEU 16 6.604 -0.227 2.313 113 HB2 LEU 16 2HB LEU 16 5.712 0.777 4.452 114 HB3 LEU 16 1HB LEU 16 6.729 -0.338 5.333 115 HG LEU 16 HG LEU 16 8.760 0.612 4.227 116 HD11 LEU 16 1HD1 LEU 16 8.447 1.641 2.292 117 HD12 LEU 16 2HD1 LEU 16 7.968 3.045 3.227 118 HD13 LEU 16 3HD1 LEU 16 6.738 1.951 2.594 119 HD21 LEU 16 3HD2 LEU 16 8.914 2.399 5.684 120 HD22 LEU 16 1HD2 LEU 16 7.490 1.627 6.378 121 HD23 LEU 16 2HD2 LEU 16 7.304 2.996 5.294 122 H VAL 17 H VAL 17 8.495 -1.004 1.572 123 HA VAL 17 HA VAL 17 9.961 -2.938 3.237 124 HB VAL 17 HB VAL 17 10.542 -4.179 1.212 125 HG11 VAL 17 1HG1 VAL 17 8.537 -5.417 1.119 126 HG12 VAL 17 2HG1 VAL 17 7.537 -3.979 1.301 127 HG13 VAL 17 3HG1 VAL 17 8.426 -4.613 2.684 128 HG21 VAL 17 3HG2 VAL 17 8.561 -2.284 -0.102 129 HG22 VAL 17 1HG2 VAL 17 9.193 -3.761 -0.828 130 HG23 VAL 17 2HG2 VAL 17 10.292 -2.435 -0.459 131 H LYS 18 H LYS 18 12.146 -3.078 2.845 132 HA LYS 18 HA LYS 18 13.408 -0.563 2.681 133 HB2 LYS 18 2HB LYS 18 14.514 -3.366 2.662 134 HB3 LYS 18 1HB LYS 18 15.474 -1.900 2.872 135 HG2 LYS 18 2HG LYS 18 14.229 -1.302 4.897 136 HG3 LYS 18 1HG LYS 18 13.149 -2.666 4.656 137 HD2 LYS 18 2HD LYS 18 14.622 -3.497 6.231 138 HD3 LYS 18 1HD LYS 18 15.291 -4.133 4.742 139 HE2 LYS 18 2HE LYS 18 17.229 -3.033 5.057 140 HE3 LYS 18 1HE LYS 18 16.391 -1.495 5.203 141 HZ1 LYS 18 3HZ LYS 18 17.131 -1.595 7.291 142 HZ2 LYS 18 1HZ LYS 18 17.372 -3.265 7.279 143 HZ3 LYS 18 2HZ LYS 18 15.824 -2.620 7.564 144 H LYS 19 H LYS 19 13.223 -3.281 0.443 145 HA LYS 19 HA LYS 19 14.695 -1.673 -1.564 146 HB2 LYS 19 2HB LYS 19 14.596 -4.648 -1.154 147 HB3 LYS 19 1HB LYS 19 15.383 -3.868 -2.516 148 HG2 LYS 19 2HG LYS 19 16.854 -2.621 -0.980 149 HG3 LYS 19 1HG LYS 19 16.057 -3.357 0.396 150 HD2 LYS 19 2HD LYS 19 17.915 -4.782 0.161 151 HD3 LYS 19 1HD LYS 19 16.676 -5.638 -0.733 152 HE2 LYS 19 2HE LYS 19 18.621 -5.637 -2.128 153 HE3 LYS 19 1HE LYS 19 17.511 -4.478 -2.846 154 HZ1 LYS 19 3HZ LYS 19 18.767 -2.771 -1.395 155 HZ2 LYS 19 1HZ LYS 19 19.473 -3.326 -2.799 156 HZ3 LYS 19 2HZ LYS 19 19.998 -3.927 -1.319 157 H GLN 20 H GLN 20 14.160 -1.797 -3.703 158 HA GLN 20 HA GLN 20 11.404 -1.902 -4.375 159 HB2 GLN 20 2HB GLN 20 13.904 -1.988 -6.098 160 HB3 GLN 20 1HB GLN 20 12.274 -1.866 -6.743 161 HG2 GLN 20 2HG GLN 20 11.881 0.209 -5.561 162 HG3 GLN 20 1HG GLN 20 13.446 0.103 -4.757 163 HE21 GLN 20 1HE2 GLN 20 14.000 -1.044 -7.855 164 HE22 GLN 20 2HE2 GLN 20 14.446 0.414 -8.582 165 H GLY 21 H GLY 21 14.079 -4.148 -4.534 166 HA2 GLY 21 2HA GLY 21 12.814 -6.220 -5.963 167 HA3 GLY 21 1HA GLY 21 14.187 -6.429 -4.861 168 H GLU 22 H GLU 22 12.904 -5.410 -2.521 169 HA GLU 22 HA GLU 22 11.539 -7.729 -1.608 170 HB2 GLU 22 2HB GLU 22 11.655 -4.910 -0.467 171 HB3 GLU 22 1HB GLU 22 10.933 -6.304 0.322 172 HG2 GLU 22 2HG GLU 22 13.033 -7.469 0.391 173 HG3 GLU 22 1HG GLU 22 13.832 -6.260 -0.580 174 H ALA 23 H ALA 23 10.516 -4.503 -2.573 175 HA ALA 23 HA ALA 23 7.742 -4.808 -2.156 176 HB1 ALA 23 1HB ALA 23 7.641 -3.025 -4.069 177 HB2 ALA 23 2HB ALA 23 9.394 -2.991 -3.877 178 HB3 ALA 23 3HB ALA 23 8.349 -2.585 -2.519 179 H LEU 24 H LEU 24 9.682 -5.244 -5.077 180 HA LEU 24 HA LEU 24 7.546 -6.125 -6.710 181 HB2 LEU 24 2HB LEU 24 10.523 -6.581 -6.918 182 HB3 LEU 24 1HB LEU 24 9.367 -7.061 -8.156 183 HG LEU 24 HG LEU 24 9.639 -4.211 -7.134 184 HD11 LEU 24 1HD1 LEU 24 10.651 -5.488 -9.653 185 HD12 LEU 24 2HD1 LEU 24 11.660 -4.954 -8.299 186 HD13 LEU 24 3HD1 LEU 24 10.760 -3.769 -9.263 187 HD21 LEU 24 3HD2 LEU 24 7.419 -4.645 -8.085 188 HD22 LEU 24 1HD2 LEU 24 8.154 -5.490 -9.452 189 HD23 LEU 24 2HD2 LEU 24 8.377 -3.759 -9.263 190 H ALA 25 H ALA 25 9.845 -7.856 -4.669 191 HA ALA 25 HA ALA 25 9.205 -10.456 -5.464 192 HB1 ALA 25 1HB ALA 25 11.035 -10.400 -4.037 193 HB2 ALA 25 2HB ALA 25 9.780 -10.974 -2.955 194 HB3 ALA 25 3HB ALA 25 10.270 -9.285 -2.906 195 H VAL 26 H VAL 26 7.761 -8.457 -2.888 196 HA VAL 26 HA VAL 26 5.778 -10.417 -2.303 197 HB VAL 26 HB VAL 26 4.754 -8.788 -0.885 198 HG11 VAL 26 1HG1 VAL 26 7.144 -9.781 -0.403 199 HG12 VAL 26 2HG1 VAL 26 6.475 -8.521 0.626 200 HG13 VAL 26 3HG1 VAL 26 7.657 -8.103 -0.599 201 HG21 VAL 26 3HG2 VAL 26 5.351 -6.453 -0.858 202 HG22 VAL 26 1HG2 VAL 26 4.961 -6.832 -2.532 203 HG23 VAL 26 2HG2 VAL 26 6.649 -6.701 -2.007 204 H GLN 27 H GLN 27 5.925 -7.565 -4.361 205 HA GLN 27 HA GLN 27 3.238 -7.435 -5.031 206 HB2 GLN 27 2HB GLN 27 5.379 -5.991 -5.758 207 HB3 GLN 27 1HB GLN 27 5.176 -6.876 -7.259 208 HG2 GLN 27 2HG GLN 27 2.565 -6.120 -6.478 209 HG3 GLN 27 1HG GLN 27 3.633 -4.754 -6.105 210 HE21 GLN 27 1HE2 GLN 27 3.553 -3.349 -7.816 211 HE22 GLN 27 2HE2 GLN 27 3.573 -3.782 -9.463 212 H GLU 28 H GLU 28 5.817 -9.349 -6.410 213 HA GLU 28 HA GLU 28 4.166 -10.632 -8.354 214 HB2 GLU 28 2HB GLU 28 6.917 -11.335 -7.299 215 HB3 GLU 28 1HB GLU 28 6.111 -12.154 -8.645 216 HG2 GLU 28 2HG GLU 28 6.655 -9.168 -8.557 217 HG3 GLU 28 1HG GLU 28 7.607 -10.327 -9.459 218 H ARG 29 H ARG 29 5.151 -11.273 -5.090 219 HA ARG 29 HA ARG 29 4.186 -13.918 -4.854 220 HB2 ARG 29 2HB ARG 29 5.710 -12.650 -3.223 221 HB3 ARG 29 1HB ARG 29 4.240 -11.894 -2.621 222 HG2 ARG 29 2HG ARG 29 3.511 -13.792 -1.581 223 HG3 ARG 29 1HG ARG 29 4.106 -14.843 -2.869 224 HD2 ARG 29 2HD ARG 29 5.870 -13.474 -0.821 225 HD3 ARG 29 1HD ARG 29 5.356 -15.155 -0.743 226 HE ARG 29 HE ARG 29 6.455 -14.805 -3.269 227 HH11 ARG 29 1HH2 ARG 29 7.516 -14.533 0.038 228 HH12 ARG 29 2HH2 ARG 29 9.134 -14.924 -0.300 229 HH21 ARG 29 1HH1 ARG 29 8.595 -15.302 -3.735 230 HH22 ARG 29 2HH1 ARG 29 9.779 -15.386 -2.498 231 H LEU 30 H LEU 30 2.653 -10.780 -4.539 232 HA LEU 30 HA LEU 30 0.157 -11.629 -3.525 233 HB2 LEU 30 2HB LEU 30 1.140 -9.206 -4.982 234 HB3 LEU 30 1HB LEU 30 -0.585 -9.484 -4.974 235 HG LEU 30 HG LEU 30 0.095 -8.053 -3.095 236 HD11 LEU 30 1HD1 LEU 30 -1.746 -9.935 -3.026 237 HD12 LEU 30 2HD1 LEU 30 -1.344 -9.031 -1.572 238 HD13 LEU 30 3HD1 LEU 30 -0.683 -10.640 -1.816 239 HD21 LEU 30 3HD2 LEU 30 1.837 -10.442 -2.381 240 HD22 LEU 30 1HD2 LEU 30 1.288 -9.282 -1.175 241 HD23 LEU 30 2HD2 LEU 30 2.288 -8.734 -2.505 242 H LYS 31 H LYS 31 1.524 -11.502 -6.700 243 HA LYS 31 HA LYS 31 -0.804 -11.907 -8.249 244 HB2 LYS 31 2HB LYS 31 1.877 -13.141 -8.907 245 HB3 LYS 31 1HB LYS 31 0.635 -12.611 -10.017 246 HG2 LYS 31 2HG LYS 31 2.306 -10.799 -8.255 247 HG3 LYS 31 1HG LYS 31 2.474 -10.987 -9.992 248 HD2 LYS 31 2HD LYS 31 -0.021 -10.240 -10.070 249 HD3 LYS 31 1HD LYS 31 0.260 -9.667 -8.433 250 HE2 LYS 31 2HE LYS 31 1.608 -8.722 -10.972 251 HE3 LYS 31 1HE LYS 31 0.801 -7.779 -9.740 252 HZ1 LYS 31 3HZ LYS 31 2.669 -8.793 -8.214 253 HZ2 LYS 31 1HZ LYS 31 2.957 -7.421 -9.161 254 HZ3 LYS 31 2HZ LYS 31 3.529 -8.886 -9.709 255 H ALA 32 H ALA 32 1.361 -14.050 -6.519 256 HA ALA 32 HA ALA 32 0.308 -16.534 -7.405 257 HB1 ALA 32 1HB ALA 32 1.626 -16.040 -4.733 258 HB2 ALA 32 2HB ALA 32 2.539 -16.187 -6.233 259 HB3 ALA 32 3HB ALA 32 1.568 -17.536 -5.652 260 H GLY 33 H GLY 33 -1.042 -14.135 -5.459 261 HA2 GLY 33 2HA GLY 33 -3.225 -14.179 -4.602 262 HA3 GLY 33 1HA GLY 33 -3.205 -15.933 -4.655 263 H GLU 34 H GLU 34 -0.362 -14.658 -3.304 264 HA GLU 34 HA GLU 34 -0.853 -15.744 -0.734 265 HB2 GLU 34 2HB GLU 34 1.202 -13.769 -1.757 266 HB3 GLU 34 1HB GLU 34 1.174 -14.342 -0.107 267 HG2 GLU 34 2HG GLU 34 1.012 -16.478 -2.182 268 HG3 GLU 34 1HG GLU 34 2.538 -15.651 -2.091 269 H LYS 35 H LYS 35 -1.349 -14.691 1.212 270 HA LYS 35 HA LYS 35 -3.301 -12.674 0.999 271 HB2 LYS 35 2HB LYS 35 -3.119 -14.290 2.902 272 HB3 LYS 35 1HB LYS 35 -1.700 -13.408 3.461 273 HG2 LYS 35 2HG LYS 35 -3.062 -11.342 3.669 274 HG3 LYS 35 1HG LYS 35 -4.474 -12.242 3.125 275 HD2 LYS 35 2HD LYS 35 -4.289 -13.729 5.067 276 HD3 LYS 35 1HD LYS 35 -2.879 -12.829 5.631 277 HE2 LYS 35 2HE LYS 35 -4.434 -10.726 5.489 278 HE3 LYS 35 1HE LYS 35 -5.741 -11.896 5.451 279 HZ1 LYS 35 3HZ LYS 35 -5.575 -11.897 7.698 280 HZ2 LYS 35 1HZ LYS 35 -4.166 -10.992 7.573 281 HZ3 LYS 35 2HZ LYS 35 -4.076 -12.691 7.533 282 H PHE 36 H PHE 36 -3.111 -10.494 0.872 283 HA PHE 36 HA PHE 36 -0.647 -9.148 0.580 284 HB2 PHE 36 2HB PHE 36 -2.934 -8.293 -0.182 285 HB3 PHE 36 1HB PHE 36 -3.269 -7.925 1.500 286 HD1 PHE 36 1HD PHE 36 -1.219 -7.024 -1.435 287 HD2 PHE 36 2HD PHE 36 -2.114 -6.123 2.678 288 HE1 PHE 36 1HE PHE 36 -0.021 -4.881 -1.643 289 HE2 PHE 36 2HE PHE 36 -0.907 -3.969 2.454 290 HZ PHE 36 HZ PHE 36 0.138 -3.354 0.282 291 H GLY 37 H GLY 37 -2.876 -9.484 3.252 292 HA2 GLY 37 2HA GLY 37 -1.519 -8.005 5.194 293 HA3 GLY 37 1HA GLY 37 -2.620 -9.364 5.512 294 H LYS 38 H LYS 38 -1.129 -11.373 4.215 295 HA LYS 38 HA LYS 38 0.683 -12.134 6.247 296 HB2 LYS 38 2HB LYS 38 -0.359 -13.786 4.799 297 HB3 LYS 38 1HB LYS 38 0.499 -13.143 3.381 298 HG2 LYS 38 2HG LYS 38 2.643 -13.711 4.493 299 HG3 LYS 38 1HG LYS 38 1.732 -14.381 5.854 300 HD2 LYS 38 2HD LYS 38 0.672 -16.017 4.295 301 HD3 LYS 38 1HD LYS 38 1.608 -15.338 2.983 302 HE2 LYS 38 2HE LYS 38 2.538 -17.445 4.115 303 HE3 LYS 38 1HE LYS 38 3.669 -16.127 3.838 304 HZ1 LYS 38 3HZ LYS 38 2.189 -16.497 6.399 305 HZ2 LYS 38 1HZ LYS 38 3.506 -15.458 6.117 306 HZ3 LYS 38 2HZ LYS 38 3.723 -17.139 6.098 307 H LEU 39 H LEU 39 1.125 -10.752 3.041 308 HA LEU 39 HA LEU 39 3.950 -10.565 3.154 309 HB2 LEU 39 2HB LEU 39 1.840 -9.092 1.558 310 HB3 LEU 39 1HB LEU 39 3.516 -8.593 1.526 311 HG LEU 39 HG LEU 39 3.127 -10.107 -0.337 312 HD11 LEU 39 1HD1 LEU 39 4.651 -11.864 1.530 313 HD12 LEU 39 2HD1 LEU 39 5.236 -10.229 1.234 314 HD13 LEU 39 3HD1 LEU 39 5.025 -11.341 -0.107 315 HD21 LEU 39 3HD2 LEU 39 2.551 -12.495 0.102 316 HD22 LEU 39 1HD2 LEU 39 1.238 -11.392 0.471 317 HD23 LEU 39 2HD2 LEU 39 2.195 -12.093 1.781 318 H ALA 40 H ALA 40 1.313 -8.353 4.168 319 HA ALA 40 HA ALA 40 2.910 -6.196 4.796 320 HB1 ALA 40 1HB ALA 40 0.275 -7.157 5.815 321 HB2 ALA 40 2HB ALA 40 0.647 -5.733 4.841 322 HB3 ALA 40 3HB ALA 40 1.045 -5.756 6.565 323 H LYS 41 H LYS 41 1.862 -8.886 6.826 324 HA LYS 41 HA LYS 41 3.372 -8.109 9.113 325 HB2 LYS 41 2HB LYS 41 2.118 -10.726 8.335 326 HB3 LYS 41 1HB LYS 41 3.083 -10.556 9.793 327 HG2 LYS 41 2HG LYS 41 1.638 -8.756 10.595 328 HG3 LYS 41 1HG LYS 41 0.667 -8.857 9.120 329 HD2 LYS 41 2HD LYS 41 -0.132 -11.044 9.678 330 HD3 LYS 41 1HD LYS 41 1.064 -11.243 10.949 331 HE2 LYS 41 2HE LYS 41 -1.386 -10.602 11.601 332 HE3 LYS 41 1HE LYS 41 -0.039 -9.843 12.421 333 HZ1 LYS 41 3HZ LYS 41 -1.780 -8.259 11.634 334 HZ2 LYS 41 1HZ LYS 41 -1.424 -8.689 10.045 335 HZ3 LYS 41 2HZ LYS 41 -0.250 -7.891 10.991 336 H GLU 42 H GLU 42 4.121 -10.237 6.420 337 HA GLU 42 HA GLU 42 6.368 -11.307 7.691 338 HB2 GLU 42 2HB GLU 42 5.001 -11.769 5.220 339 HB3 GLU 42 1HB GLU 42 6.726 -11.693 4.911 340 HG2 GLU 42 2HG GLU 42 6.296 -13.969 5.474 341 HG3 GLU 42 1HG GLU 42 7.031 -13.272 6.906 342 H LEU 43 H LEU 43 6.326 -8.725 5.180 343 HA LEU 43 HA LEU 43 9.166 -8.318 5.970 344 HB2 LEU 43 2HB LEU 43 9.470 -7.439 3.512 345 HB3 LEU 43 1HB LEU 43 9.614 -9.131 3.898 346 HG LEU 43 HG LEU 43 8.254 -8.650 1.867 347 HD11 LEU 43 1HD1 LEU 43 7.141 -10.530 2.170 348 HD12 LEU 43 2HD1 LEU 43 6.241 -9.936 3.562 349 HD13 LEU 43 3HD1 LEU 43 7.885 -10.562 3.758 350 HD21 LEU 43 3HD2 LEU 43 6.472 -7.241 3.885 351 HD22 LEU 43 1HD2 LEU 43 5.806 -7.982 2.440 352 HD23 LEU 43 2HD2 LEU 43 7.008 -6.714 2.300 353 H SER 44 H SER 44 6.206 -6.601 5.743 354 HA SER 44 HA SER 44 7.137 -4.191 4.941 355 HB2 SER 44 2HB SER 44 5.135 -4.495 7.170 356 HB3 SER 44 1HB SER 44 5.249 -3.207 5.988 357 HG SER 44 HG SER 44 4.348 -5.788 5.833 358 H ILE 45 H ILE 45 8.198 -2.487 5.913 359 HA ILE 45 HA ILE 45 9.405 -2.956 8.545 360 HB ILE 45 HB ILE 45 10.798 -0.990 8.026 361 HG12 ILE 45 2HG1 ILE 45 9.450 -1.054 5.306 362 HG13 ILE 45 1HG1 ILE 45 9.098 0.154 6.559 363 HG21 ILE 45 1HG2 ILE 45 10.989 -2.671 5.555 364 HG22 ILE 45 2HG2 ILE 45 11.159 -3.477 7.112 365 HG23 ILE 45 3HG2 ILE 45 12.251 -2.167 6.676 366 HD11 ILE 45 3HD1 ILE 45 11.948 -0.281 5.752 367 HD12 ILE 45 1HD1 ILE 45 11.146 1.186 6.312 368 HD13 ILE 45 2HD1 ILE 45 10.903 0.612 4.660 369 H ASP 46 H ASP 46 6.686 -1.748 7.293 370 HA ASP 46 HA ASP 46 6.301 0.411 9.233 371 HB2 ASP 46 2HB ASP 46 5.407 0.721 6.976 372 HB3 ASP 46 1HB ASP 46 4.444 -0.740 7.116 373 H GLY 47 H GLY 47 6.134 -0.512 11.220 374 HA2 GLY 47 2HA GLY 47 5.195 -3.076 11.775 375 HA3 GLY 47 1HA GLY 47 5.332 -1.773 12.949 376 H GLY 48 H GLY 48 3.509 0.051 11.965 377 HA2 GLY 48 2HA GLY 48 1.084 -0.856 13.014 378 HA3 GLY 48 1HA GLY 48 1.257 0.550 11.961 379 H SER 49 H SER 49 2.228 -0.649 9.689 380 HA SER 49 HA SER 49 -0.135 -1.683 8.511 381 HB2 SER 49 2HB SER 49 2.725 -1.619 7.567 382 HB3 SER 49 1HB SER 49 1.422 -2.222 6.577 383 HG SER 49 HG SER 49 2.071 0.366 7.324 384 H ALA 50 H ALA 50 2.701 -3.185 9.974 385 HA ALA 50 HA ALA 50 2.150 -5.845 9.094 386 HB1 ALA 50 1HB ALA 50 3.549 -5.135 11.679 387 HB2 ALA 50 2HB ALA 50 4.346 -4.977 10.114 388 HB3 ALA 50 3HB ALA 50 3.778 -6.550 10.661 389 H LYS 51 H LYS 51 1.201 -3.899 11.842 390 HA LYS 51 HA LYS 51 -0.187 -5.928 13.304 391 HB2 LYS 51 2HB LYS 51 -0.663 -2.927 13.219 392 HB3 LYS 51 1HB LYS 51 -1.307 -4.031 14.417 393 HG2 LYS 51 2HG LYS 51 1.664 -3.569 13.940 394 HG3 LYS 51 1HG LYS 51 0.703 -2.835 15.218 395 HD2 LYS 51 2HD LYS 51 0.200 -5.064 16.160 396 HD3 LYS 51 1HD LYS 51 1.105 -5.830 14.863 397 HE2 LYS 51 2HE LYS 51 2.351 -5.511 17.062 398 HE3 LYS 51 1HE LYS 51 3.174 -4.955 15.612 399 HZ1 LYS 51 3HZ LYS 51 2.789 -2.719 16.154 400 HZ2 LYS 51 1HZ LYS 51 3.032 -3.410 17.666 401 HZ3 LYS 51 2HZ LYS 51 1.474 -3.093 17.167 402 H ARG 52 H ARG 52 -1.077 -3.642 10.829 403 HA ARG 52 HA ARG 52 -3.828 -4.586 10.842 404 HB2 ARG 52 2HB ARG 52 -2.513 -2.274 9.447 405 HB3 ARG 52 1HB ARG 52 -4.219 -2.701 9.294 406 HG2 ARG 52 2HG ARG 52 -4.526 -2.453 11.730 407 HG3 ARG 52 1HG ARG 52 -2.819 -2.076 11.913 408 HD2 ARG 52 2HD ARG 52 -4.125 -0.007 11.863 409 HD3 ARG 52 1HD ARG 52 -3.068 -0.112 10.458 410 HE ARG 52 HE ARG 52 -5.604 -1.225 9.836 411 HH11 ARG 52 1HH2 ARG 52 -4.034 1.792 10.500 412 HH12 ARG 52 2HH2 ARG 52 -5.080 2.742 9.532 413 HH21 ARG 52 1HH1 ARG 52 -7.029 0.000 8.525 414 HH22 ARG 52 2HH1 ARG 52 -6.817 1.677 8.355 415 H ASP 53 H ASP 53 -1.272 -5.879 9.435 416 HA ASP 53 HA ASP 53 -0.908 -7.132 7.522 417 HB2 ASP 53 2HB ASP 53 -3.896 -6.977 7.576 418 HB3 ASP 53 1HB ASP 53 -3.166 -7.679 6.205 419 H GLY 54 H GLY 54 -0.909 -4.242 7.546 420 HA2 GLY 54 2HA GLY 54 -0.502 -2.547 6.020 421 HA3 GLY 54 1HA GLY 54 -0.716 -3.725 4.732 422 H SER 55 H SER 55 -3.407 -3.994 6.662 423 HA SER 55 HA SER 55 -5.094 -2.818 4.707 424 HB2 SER 55 2HB SER 55 -6.008 -3.488 7.488 425 HB3 SER 55 1HB SER 55 -6.879 -3.642 5.973 426 HG SER 55 HG SER 55 -4.865 -5.185 7.132 427 H LEU 56 H LEU 56 -4.308 -0.701 4.583 428 HA LEU 56 HA LEU 56 -4.276 1.190 6.683 429 HB2 LEU 56 2HB LEU 56 -4.649 1.562 3.697 430 HB3 LEU 56 1HB LEU 56 -4.352 2.849 4.842 431 HG LEU 56 HG LEU 56 -2.486 0.477 4.563 432 HD11 LEU 56 1HD1 LEU 56 -1.984 1.370 2.600 433 HD12 LEU 56 2HD1 LEU 56 -1.114 2.584 3.540 434 HD13 LEU 56 3HD1 LEU 56 -2.745 2.917 2.939 435 HD21 LEU 56 3HD2 LEU 56 -2.125 1.484 6.662 436 HD22 LEU 56 1HD2 LEU 56 -2.436 3.112 6.051 437 HD23 LEU 56 2HD2 LEU 56 -0.950 2.270 5.616 438 H GLY 57 H GLY 57 -6.704 0.201 4.361 439 HA2 GLY 57 2HA GLY 57 -9.017 0.219 4.642 440 HA3 GLY 57 1HA GLY 57 -8.846 1.233 6.075 441 H TYR 58 H TYR 58 -10.340 2.771 5.407 442 HA TYR 58 HA TYR 58 -10.071 4.136 2.842 443 HB2 TYR 58 2HB TYR 58 -11.765 5.644 4.456 444 HB3 TYR 58 1HB TYR 58 -12.344 4.526 3.276 445 HD1 TYR 58 1HD TYR 58 -11.415 5.015 6.823 446 HD2 TYR 58 2HD TYR 58 -13.200 2.304 3.995 447 HE1 TYR 58 1HE TYR 58 -12.226 3.628 8.664 448 HE2 TYR 58 2HE TYR 58 -14.020 0.913 5.846 449 HH TYR 58 HH TYR 58 -14.554 1.611 8.572 450 H PHE 59 H PHE 59 -8.877 5.936 2.546 451 HA PHE 59 HA PHE 59 -8.430 7.740 4.794 452 HB2 PHE 59 2HB PHE 59 -6.006 7.884 4.322 453 HB3 PHE 59 1HB PHE 59 -6.461 6.297 4.931 454 HD1 PHE 59 1HD PHE 59 -5.494 8.227 1.919 455 HD2 PHE 59 2HD PHE 59 -6.343 4.323 3.511 456 HE1 PHE 59 1HE PHE 59 -4.547 7.188 -0.115 457 HE2 PHE 59 2HE PHE 59 -5.395 3.291 1.486 458 HZ PHE 59 HZ PHE 59 -4.494 4.717 -0.339 459 H GLY 60 H GLY 60 -7.964 9.839 4.188 460 HA2 GLY 60 2HA GLY 60 -8.643 10.449 1.424 461 HA3 GLY 60 1HA GLY 60 -8.645 11.612 2.737 462 H ARG 61 H ARG 61 -7.385 12.671 0.776 463 HA ARG 61 HA ARG 61 -4.682 11.776 0.493 464 HB2 ARG 61 2HB ARG 61 -5.962 14.336 -0.490 465 HB3 ARG 61 1HB ARG 61 -4.396 13.685 -0.977 466 HG2 ARG 61 2HG ARG 61 -5.697 11.524 -1.616 467 HG3 ARG 61 1HG ARG 61 -7.130 12.534 -1.533 468 HD2 ARG 61 2HD ARG 61 -6.405 12.558 -3.822 469 HD3 ARG 61 1HD ARG 61 -6.036 14.132 -3.146 470 HE ARG 61 HE ARG 61 -3.733 12.744 -2.680 471 HH11 ARG 61 1HH2 ARG 61 -5.680 13.171 -5.568 472 HH12 ARG 61 2HH2 ARG 61 -4.316 13.091 -6.608 473 HH21 ARG 61 1HH1 ARG 61 -2.034 12.608 -4.033 474 HH22 ARG 61 2HH1 ARG 61 -2.198 12.773 -5.739 475 H GLY 62 H GLY 62 -2.841 12.982 1.021 476 HA2 GLY 62 2HA GLY 62 -1.711 14.651 2.231 477 HA3 GLY 62 1HA GLY 62 -3.155 14.944 3.195 478 H LYS 63 H LYS 63 -3.764 12.169 3.564 479 HA LYS 63 HA LYS 63 -2.283 11.575 5.911 480 HB2 LYS 63 2HB LYS 63 -4.165 9.877 4.257 481 HB3 LYS 63 1HB LYS 63 -3.446 9.347 5.778 482 HG2 LYS 63 2HG LYS 63 -4.426 11.303 6.940 483 HG3 LYS 63 1HG LYS 63 -5.173 11.823 5.436 484 HD2 LYS 63 2HD LYS 63 -6.458 9.723 5.329 485 HD3 LYS 63 1HD LYS 63 -5.743 9.180 6.844 486 HE2 LYS 63 2HE LYS 63 -7.507 11.633 6.458 487 HE3 LYS 63 1HE LYS 63 -7.925 10.147 7.309 488 HZ1 LYS 63 3HZ LYS 63 -6.240 12.353 8.177 489 HZ2 LYS 63 1HZ LYS 63 -5.693 10.808 8.604 490 HZ3 LYS 63 2HZ LYS 63 -7.224 11.284 9.069 491 H MET 64 H MET 64 -2.049 10.559 2.585 492 HA MET 64 HA MET 64 0.257 8.836 3.240 493 HB2 MET 64 2HB MET 64 -1.020 8.792 0.552 494 HB3 MET 64 1HB MET 64 -0.342 7.482 1.525 495 HG2 MET 64 2HG MET 64 -3.003 8.865 2.071 496 HG3 MET 64 1HG MET 64 -2.768 7.300 1.322 497 HE1 MET 64 3HE MET 64 -3.282 5.555 2.275 498 HE2 MET 64 1HE MET 64 -3.027 4.944 3.915 499 HE3 MET 64 2HE MET 64 -1.680 5.050 2.777 500 H VAL 65 H VAL 65 2.121 9.004 1.850 501 HA VAL 65 HA VAL 65 2.744 11.676 1.082 502 HB VAL 65 HB VAL 65 4.824 10.702 0.102 503 HG11 VAL 65 1HG1 VAL 65 4.085 9.654 2.849 504 HG12 VAL 65 2HG1 VAL 65 4.728 11.257 2.496 505 HG13 VAL 65 3HG1 VAL 65 5.725 9.829 2.232 506 HG21 VAL 65 3HG2 VAL 65 5.244 8.325 0.231 507 HG22 VAL 65 1HG2 VAL 65 3.723 8.537 -0.629 508 HG23 VAL 65 2HG2 VAL 65 3.733 8.037 1.075 509 H LYS 66 H LYS 66 2.800 12.635 -0.893 510 HA LYS 66 HA LYS 66 0.729 12.215 -2.534 511 HB2 LYS 66 2HB LYS 66 3.381 13.396 -3.340 512 HB3 LYS 66 1HB LYS 66 1.906 13.578 -4.272 513 HG2 LYS 66 2HG LYS 66 1.095 14.279 -1.676 514 HG3 LYS 66 1HG LYS 66 2.707 14.940 -1.785 515 HD2 LYS 66 2HD LYS 66 1.708 16.696 -2.769 516 HD3 LYS 66 1HD LYS 66 1.685 15.724 -4.233 517 HE2 LYS 66 2HE LYS 66 -0.531 16.049 -2.188 518 HE3 LYS 66 1HE LYS 66 -0.536 16.568 -3.865 519 HZ1 LYS 66 3HZ LYS 66 0.024 13.889 -4.025 520 HZ2 LYS 66 1HZ LYS 66 -1.419 14.667 -4.351 521 HZ3 LYS 66 2HZ LYS 66 -1.207 13.967 -2.833 522 HA PRO 67 HA PRO 67 3.199 9.525 -5.729 523 HB2 PRO 67 2HB PRO 67 5.101 7.911 -4.602 524 HB3 PRO 67 1HB PRO 67 5.468 9.442 -5.408 525 HG2 PRO 67 2HG PRO 67 5.188 8.892 -2.488 526 HG3 PRO 67 1HG PRO 67 6.380 9.885 -3.334 527 HD2 PRO 67 2HD PRO 67 4.353 11.058 -2.087 528 HD3 PRO 67 1HD PRO 67 4.904 11.683 -3.652 529 H PHE 68 H PHE 68 2.750 8.625 -2.365 530 HA PHE 68 HA PHE 68 1.883 5.922 -2.730 531 HB2 PHE 68 2HB PHE 68 2.524 6.879 -0.506 532 HB3 PHE 68 1HB PHE 68 1.053 7.855 -0.522 533 HD1 PHE 68 2HD PHE 68 -1.183 6.680 -0.596 534 HD2 PHE 68 1HD PHE 68 2.522 4.600 0.076 535 HE1 PHE 68 2HE PHE 68 -2.425 4.752 0.317 536 HE2 PHE 68 1HE PHE 68 1.294 2.692 0.968 537 HZ PHE 68 HZ PHE 68 -1.214 2.759 1.097 538 H GLU 69 H GLU 69 0.254 9.039 -2.472 539 HA GLU 69 HA GLU 69 -2.408 8.153 -2.713 540 HB2 GLU 69 2HB GLU 69 -1.113 10.763 -3.541 541 HB3 GLU 69 1HB GLU 69 -2.847 10.482 -3.509 542 HG2 GLU 69 2HG GLU 69 -2.789 10.057 -1.105 543 HG3 GLU 69 1HG GLU 69 -1.034 10.183 -1.097 544 H ASP 70 H ASP 70 -0.068 9.253 -5.093 545 HA ASP 70 HA ASP 70 -1.670 9.171 -7.377 546 HB2 ASP 70 2HB ASP 70 0.449 10.190 -7.539 547 HB3 ASP 70 1HB ASP 70 1.282 8.727 -7.022 548 H ALA 71 H ALA 71 0.443 6.642 -6.078 549 HA ALA 71 HA ALA 71 -0.278 4.709 -8.039 550 HB1 ALA 71 1HB ALA 71 1.749 4.309 -6.821 551 HB2 ALA 71 2HB ALA 71 0.620 3.046 -6.339 552 HB3 ALA 71 3HB ALA 71 0.910 4.416 -5.275 553 H ALA 72 H ALA 72 -1.518 5.506 -4.830 554 HA ALA 72 HA ALA 72 -3.284 3.334 -4.563 555 HB1 ALA 72 1HB ALA 72 -2.648 4.843 -2.688 556 HB2 ALA 72 2HB ALA 72 -4.390 4.641 -2.851 557 HB3 ALA 72 3HB ALA 72 -3.616 6.118 -3.433 558 H PHE 73 H PHE 73 -3.789 6.594 -5.853 559 HA PHE 73 HA PHE 73 -6.505 6.164 -6.437 560 HB2 PHE 73 2HB PHE 73 -4.556 8.224 -7.444 561 HB3 PHE 73 1HB PHE 73 -6.198 8.154 -8.064 562 HD1 PHE 73 1HD PHE 73 -8.126 8.028 -6.271 563 HD2 PHE 73 2HD PHE 73 -4.147 9.422 -5.442 564 HE1 PHE 73 1HE PHE 73 -8.953 9.201 -4.262 565 HE2 PHE 73 2HE PHE 73 -4.959 10.569 -3.438 566 HZ PHE 73 HZ PHE 73 -7.385 10.473 -2.834 567 H ARG 74 H ARG 74 -3.567 5.739 -8.386 568 HA ARG 74 HA ARG 74 -4.964 5.231 -10.775 569 HB2 ARG 74 2HB ARG 74 -2.150 4.512 -9.977 570 HB3 ARG 74 1HB ARG 74 -2.835 4.084 -11.542 571 HG2 ARG 74 2HG ARG 74 -3.361 6.464 -11.981 572 HG3 ARG 74 1HG ARG 74 -2.636 6.906 -10.432 573 HD2 ARG 74 2HD ARG 74 -1.141 5.409 -12.577 574 HD3 ARG 74 1HD ARG 74 -1.168 7.151 -12.506 575 HE ARG 74 HE ARG 74 -0.200 6.871 -10.167 576 HH11 ARG 74 1HH2 ARG 74 0.236 4.412 -12.639 577 HH12 ARG 74 2HH2 ARG 74 1.779 3.951 -12.078 578 HH21 ARG 74 1HH1 ARG 74 1.833 6.277 -9.491 579 HH22 ARG 74 2HH1 ARG 74 2.726 5.005 -10.247 580 H LEU 75 H LEU 75 -3.885 2.974 -8.280 581 HA LEU 75 HA LEU 75 -5.203 0.846 -9.826 582 HB2 LEU 75 2HB LEU 75 -3.449 0.501 -7.397 583 HB3 LEU 75 1HB LEU 75 -4.159 -0.760 -8.363 584 HG LEU 75 HG LEU 75 -2.157 1.282 -9.358 585 HD11 LEU 75 1HD1 LEU 75 -1.996 -1.725 -9.136 586 HD12 LEU 75 2HD1 LEU 75 -1.299 -0.589 -7.990 587 HD13 LEU 75 3HD1 LEU 75 -0.722 -0.626 -9.677 588 HD21 LEU 75 3HD2 LEU 75 -3.495 0.939 -11.252 589 HD22 LEU 75 1HD2 LEU 75 -3.894 -0.728 -10.817 590 HD23 LEU 75 2HD2 LEU 75 -2.288 -0.318 -11.420 591 H GLN 76 H GLN 76 -6.798 2.802 -8.534 592 HA GLN 76 HA GLN 76 -7.973 1.794 -6.203 593 HB2 GLN 76 2HB GLN 76 -9.178 3.407 -8.465 594 HB3 GLN 76 1HB GLN 76 -10.059 2.979 -7.004 595 HG2 GLN 76 2HG GLN 76 -8.456 4.085 -5.598 596 HG3 GLN 76 1HG GLN 76 -7.387 4.401 -6.944 597 HE21 GLN 76 1HE2 GLN 76 -7.994 6.106 -8.444 598 HE22 GLN 76 2HE2 GLN 76 -9.220 7.222 -8.093 599 H VAL 77 H VAL 77 -7.905 0.611 -9.347 600 HA VAL 77 HA VAL 77 -10.239 -0.928 -9.475 601 HB VAL 77 HB VAL 77 -8.953 -0.618 -11.454 602 HG11 VAL 77 1HG1 VAL 77 -6.736 -0.353 -11.154 603 HG12 VAL 77 2HG1 VAL 77 -6.615 -2.091 -11.291 604 HG13 VAL 77 3HG1 VAL 77 -6.683 -1.331 -9.696 605 HG21 VAL 77 3HG2 VAL 77 -8.386 -3.505 -10.742 606 HG22 VAL 77 1HG2 VAL 77 -8.843 -2.824 -12.293 607 HG23 VAL 77 2HG2 VAL 77 -10.034 -2.946 -10.994 608 H GLY 78 H GLY 78 -7.244 -1.398 -7.691 609 HA2 GLY 78 2HA GLY 78 -7.551 -2.795 -5.613 610 HA3 GLY 78 1HA GLY 78 -8.329 -3.954 -6.676 611 H GLU 79 H GLU 79 -6.052 -2.779 -8.535 612 HA GLU 79 HA GLU 79 -4.506 -5.140 -8.393 613 HB2 GLU 79 2HB GLU 79 -4.136 -2.559 -9.885 614 HB3 GLU 79 1HB GLU 79 -3.117 -3.972 -10.071 615 HG2 GLU 79 2HG GLU 79 -6.124 -4.000 -10.490 616 HG3 GLU 79 1HG GLU 79 -4.956 -3.892 -11.808 617 H VAL 80 H VAL 80 -2.161 -5.185 -8.158 618 HA VAL 80 HA VAL 80 -1.369 -3.694 -5.777 619 HB VAL 80 HB VAL 80 0.336 -5.749 -7.181 620 HG11 VAL 80 1HG1 VAL 80 1.364 -4.505 -5.352 621 HG12 VAL 80 2HG1 VAL 80 1.090 -6.179 -4.859 622 HG13 VAL 80 3HG1 VAL 80 0.017 -4.912 -4.289 623 HG21 VAL 80 3HG2 VAL 80 -2.105 -6.213 -5.436 624 HG22 VAL 80 1HG2 VAL 80 -0.786 -7.378 -5.512 625 HG23 VAL 80 2HG2 VAL 80 -1.678 -6.981 -6.966 626 H SER 81 H SER 81 -0.073 -1.994 -5.844 627 HA SER 81 HA SER 81 0.837 -0.921 -8.349 628 HB2 SER 81 2HB SER 81 1.758 0.852 -6.769 629 HB3 SER 81 1HB SER 81 0.014 0.644 -6.794 630 HG SER 81 HG SER 81 0.124 -0.434 -4.915 631 H GLU 82 H GLU 82 2.946 -0.203 -8.801 632 HA GLU 82 HA GLU 82 5.024 -2.119 -8.306 633 HB2 GLU 82 2HB GLU 82 5.323 0.705 -9.278 634 HB3 GLU 82 1HB GLU 82 6.393 -0.642 -9.616 635 HG2 GLU 82 2HG GLU 82 5.252 -0.804 -11.541 636 HG3 GLU 82 1HG GLU 82 4.071 -1.659 -10.568 637 HA PRO 83 HA PRO 83 6.873 -0.470 -4.622 638 HB2 PRO 83 2HB PRO 83 9.303 0.239 -6.199 639 HB3 PRO 83 1HB PRO 83 9.164 -0.722 -4.711 640 HG2 PRO 83 2HG PRO 83 9.615 -1.892 -7.034 641 HG3 PRO 83 1HG PRO 83 8.536 -2.654 -5.864 642 HD2 PRO 83 2HD PRO 83 7.824 -1.242 -8.400 643 HD3 PRO 83 1HD PRO 83 7.021 -2.587 -7.569 644 H VAL 84 H VAL 84 6.611 1.533 -3.733 645 HA VAL 84 HA VAL 84 6.896 3.925 -5.451 646 HB VAL 84 HB VAL 84 5.012 3.298 -3.169 647 HG11 VAL 84 1HG1 VAL 84 5.947 5.953 -4.203 648 HG12 VAL 84 2HG1 VAL 84 5.471 5.468 -2.572 649 HG13 VAL 84 3HG1 VAL 84 4.239 5.762 -3.790 650 HG21 VAL 84 3HG2 VAL 84 4.567 4.249 -6.025 651 HG22 VAL 84 1HG2 VAL 84 3.303 3.899 -4.844 652 HG23 VAL 84 2HG2 VAL 84 4.331 2.602 -5.439 653 H LYS 85 H LYS 85 8.448 5.291 -4.860 654 HA LYS 85 HA LYS 85 9.980 4.738 -2.473 655 HB2 LYS 85 2HB LYS 85 11.095 5.258 -4.638 656 HB3 LYS 85 1HB LYS 85 10.400 6.867 -4.586 657 HG2 LYS 85 2HG LYS 85 12.665 7.021 -3.730 658 HG3 LYS 85 1HG LYS 85 11.565 7.269 -2.398 659 HD2 LYS 85 2HD LYS 85 12.263 5.433 -1.298 660 HD3 LYS 85 1HD LYS 85 12.201 4.411 -2.720 661 HE2 LYS 85 2HE LYS 85 14.449 6.349 -2.031 662 HE3 LYS 85 1HE LYS 85 14.513 4.604 -1.865 663 HZ1 LYS 85 3HZ LYS 85 14.282 4.367 -4.291 664 HZ2 LYS 85 1HZ LYS 85 15.541 5.407 -3.916 665 HZ3 LYS 85 2HZ LYS 85 14.122 6.053 -4.453 666 H SER 86 H SER 86 9.920 5.832 -0.608 667 HA SER 86 HA SER 86 8.761 8.523 -0.525 668 HB2 SER 86 2HB SER 86 7.402 8.032 1.300 669 HB3 SER 86 1HB SER 86 7.161 6.640 0.268 670 HG SER 86 HG SER 86 7.917 5.499 1.848 671 H GLU 87 H GLU 87 9.366 9.492 1.621 672 HA GLU 87 HA GLU 87 12.140 9.416 2.034 673 HB2 GLU 87 2HB GLU 87 11.357 10.425 4.364 674 HB3 GLU 87 1HB GLU 87 11.211 11.342 2.874 675 HG2 GLU 87 2HG GLU 87 8.890 9.580 3.653 676 HG3 GLU 87 1HG GLU 87 9.125 11.076 4.526 677 H PHE 88 H PHE 88 9.466 7.697 3.463 678 HA PHE 88 HA PHE 88 10.829 6.352 5.570 679 HB2 PHE 88 2HB PHE 88 8.289 5.776 4.068 680 HB3 PHE 88 1HB PHE 88 8.859 4.737 5.347 681 HD1 PHE 88 1HD PHE 88 9.134 5.641 7.690 682 HD2 PHE 88 2HD PHE 88 7.347 7.958 4.533 683 HE1 PHE 88 1HE PHE 88 8.201 7.209 9.361 684 HE2 PHE 88 2HE PHE 88 6.418 9.519 6.209 685 HZ PHE 88 HZ PHE 88 6.845 9.148 8.628 686 H GLY 89 H GLY 89 10.108 5.428 2.217 687 HA2 GLY 89 2HA GLY 89 12.288 3.937 1.556 688 HA3 GLY 89 1HA GLY 89 11.347 2.821 2.547 689 H TYR 90 H TYR 90 10.659 1.377 1.008 690 HA TYR 90 HA TYR 90 9.258 2.484 -1.311 691 HB2 TYR 90 2HB TYR 90 10.690 -0.093 -0.843 692 HB3 TYR 90 1HB TYR 90 9.498 -0.004 -2.104 693 HD1 TYR 90 2HD TYR 90 9.703 1.825 -3.880 694 HD2 TYR 90 1HD TYR 90 12.874 0.882 -1.133 695 HE1 TYR 90 2HE TYR 90 11.307 2.985 -5.344 696 HE2 TYR 90 1HE TYR 90 14.482 2.047 -2.604 697 HH TYR 90 HH TYR 90 13.918 2.752 -5.719 698 H HIS 91 H HIS 91 7.123 2.194 -1.565 699 HA HIS 91 HA HIS 91 5.741 0.387 0.326 700 HB2 HIS 91 2HB HIS 91 4.433 2.636 -1.203 701 HB3 HIS 91 1HB HIS 91 3.783 1.698 0.131 702 HD1 HIS 91 1HD HIS 91 3.833 2.894 2.275 703 HD2 HIS 91 2HD HIS 91 7.025 4.019 -0.200 704 HE1 HIS 91 1HE HIS 91 5.151 4.695 3.533 705 H VAL 92 H VAL 92 4.223 -1.007 -0.423 706 HA VAL 92 HA VAL 92 3.733 -1.148 -3.336 707 HB VAL 92 HB VAL 92 3.885 -3.392 -1.294 708 HG11 VAL 92 1HG1 VAL 92 2.839 -3.348 -4.120 709 HG12 VAL 92 2HG1 VAL 92 2.031 -3.957 -2.669 710 HG13 VAL 92 3HG1 VAL 92 3.399 -4.832 -3.353 711 HG21 VAL 92 3HG2 VAL 92 6.055 -2.639 -2.243 712 HG22 VAL 92 1HG2 VAL 92 5.423 -2.919 -3.869 713 HG23 VAL 92 2HG2 VAL 92 5.637 -4.276 -2.760 714 H ILE 93 H ILE 93 1.587 -0.721 -3.765 715 HA ILE 93 HA ILE 93 -0.245 -0.747 -1.445 716 HB ILE 93 HB ILE 93 -0.247 1.071 -3.875 717 HG12 ILE 93 2HG1 ILE 93 0.330 1.727 -0.977 718 HG13 ILE 93 1HG1 ILE 93 1.608 1.436 -2.154 719 HG21 ILE 93 1HG2 ILE 93 -1.955 2.306 -2.603 720 HG22 ILE 93 2HG2 ILE 93 -1.981 1.026 -1.396 721 HG23 ILE 93 3HG2 ILE 93 -2.502 0.693 -3.053 722 HD11 ILE 93 3HD1 ILE 93 1.435 3.684 -2.507 723 HD12 ILE 93 1HD1 ILE 93 -0.217 3.762 -1.904 724 HD13 ILE 93 2HD1 ILE 93 0.092 3.213 -3.540 725 H LYS 94 H LYS 94 -1.984 -1.971 -1.592 726 HA LYS 94 HA LYS 94 -3.074 -2.634 -4.255 727 HB2 LYS 94 2HB LYS 94 -2.155 -4.696 -3.160 728 HB3 LYS 94 1HB LYS 94 -3.250 -4.411 -1.801 729 HG2 LYS 94 2HG LYS 94 -5.208 -4.531 -3.332 730 HG3 LYS 94 1HG LYS 94 -4.100 -4.794 -4.684 731 HD2 LYS 94 2HD LYS 94 -3.325 -6.895 -3.653 732 HD3 LYS 94 1HD LYS 94 -4.396 -6.594 -2.283 733 HE2 LYS 94 2HE LYS 94 -5.440 -8.179 -3.873 734 HE3 LYS 94 1HE LYS 94 -6.368 -6.681 -3.759 735 HZ1 LYS 94 3HZ LYS 94 -6.095 -7.394 -6.030 736 HZ2 LYS 94 1HZ LYS 94 -4.421 -7.380 -5.914 737 HZ3 LYS 94 2HZ LYS 94 -5.375 -5.937 -5.820 738 H ARG 95 H ARG 95 -5.260 -2.315 -4.434 739 HA ARG 95 HA ARG 95 -6.330 -0.629 -2.350 740 HB2 ARG 95 2HB ARG 95 -6.846 -0.722 -5.094 741 HB3 ARG 95 1HB ARG 95 -8.359 -1.251 -4.351 742 HG2 ARG 95 2HG ARG 95 -7.543 0.879 -2.725 743 HG3 ARG 95 1HG ARG 95 -7.116 1.412 -4.339 744 HD2 ARG 95 2HD ARG 95 -9.384 2.088 -3.763 745 HD3 ARG 95 1HD ARG 95 -9.461 0.982 -5.096 746 HE ARG 95 HE ARG 95 -9.975 0.273 -2.264 747 HH11 ARG 95 1HH2 ARG 95 -10.530 -0.225 -5.741 748 HH12 ARG 95 2HH2 ARG 95 -11.764 -1.358 -5.486 749 HH21 ARG 95 1HH1 ARG 95 -11.639 -1.233 -2.009 750 HH22 ARG 95 2HH1 ARG 95 -12.432 -1.953 -3.369 751 H LEU 96 H LEU 96 -8.137 -0.959 -1.083 752 HA LEU 96 HA LEU 96 -8.744 -3.796 -0.677 753 HB2 LEU 96 2HB LEU 96 -7.463 -2.787 1.164 754 HB3 LEU 96 1HB LEU 96 -8.670 -1.519 1.308 755 HG LEU 96 HG LEU 96 -10.401 -3.270 1.755 756 HD11 LEU 96 1HD1 LEU 96 -7.942 -5.033 1.630 757 HD12 LEU 96 2HD1 LEU 96 -9.489 -5.269 0.820 758 HD13 LEU 96 3HD1 LEU 96 -9.358 -5.515 2.554 759 HD21 LEU 96 3HD2 LEU 96 -7.990 -3.071 3.584 760 HD22 LEU 96 1HD2 LEU 96 -9.503 -3.828 4.075 761 HD23 LEU 96 2HD2 LEU 96 -9.476 -2.124 3.655 762 H GLY 97 H GLY 97 -10.770 -4.377 -0.766 763 HA2 GLY 97 2HA GLY 97 -12.901 -2.371 -1.150 764 HA3 GLY 97 1HA GLY 97 -12.922 -4.018 -1.688 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -20.795 6.042 1.226 2 HA2 GLY 1 2HA GLY 1 -22.383 4.454 0.208 3 HA3 GLY 1 1HA GLY 1 -21.006 3.486 -0.277 4 HA PRO 2 HA PRO 2 -20.692 1.313 3.575 5 HB2 PRO 2 2HB PRO 2 -18.459 2.905 4.713 6 HB3 PRO 2 1HB PRO 2 -18.571 1.184 4.355 7 HG2 PRO 2 2HG PRO 2 -17.106 2.735 2.811 8 HG3 PRO 2 1HG PRO 2 -18.081 1.433 2.112 9 HD2 PRO 2 2HD PRO 2 -18.671 4.378 2.135 10 HD3 PRO 2 1HD PRO 2 -18.902 3.179 0.840 11 H MET 3 H MET 3 -21.642 1.381 5.582 12 HA MET 3 HA MET 3 -23.450 3.178 6.333 13 HB2 MET 3 2HB MET 3 -21.679 1.643 8.255 14 HB3 MET 3 1HB MET 3 -23.155 2.481 8.705 15 HG2 MET 3 2HG MET 3 -24.473 1.080 7.176 16 HG3 MET 3 1HG MET 3 -23.014 0.273 6.622 17 HE1 MET 3 3HE MET 3 -25.470 1.019 9.341 18 HE2 MET 3 1HE MET 3 -24.094 1.340 10.417 19 HE3 MET 3 2HE MET 3 -25.113 -0.064 10.666 20 H GLY 4 H GLY 4 -23.493 5.271 6.746 21 HA2 GLY 4 2HA GLY 4 -22.750 7.428 7.169 22 HA3 GLY 4 1HA GLY 4 -22.374 6.697 8.715 23 H SER 5 H SER 5 -20.696 5.778 5.767 24 HA SER 5 HA SER 5 -18.225 6.855 6.942 25 HB2 SER 5 2HB SER 5 -18.513 4.851 4.732 26 HB3 SER 5 1HB SER 5 -17.068 5.214 5.650 27 HG SER 5 HG SER 5 -19.457 4.372 6.976 28 H MET 6 H MET 6 -17.457 8.685 6.058 29 HA MET 6 HA MET 6 -18.469 9.777 3.620 30 HB2 MET 6 2HB MET 6 -16.017 10.513 5.256 31 HB3 MET 6 1HB MET 6 -16.586 11.437 3.868 32 HG2 MET 6 2HG MET 6 -18.167 10.873 6.392 33 HG3 MET 6 1HG MET 6 -17.395 12.400 5.975 34 HE1 MET 6 3HE MET 6 -17.719 13.709 4.103 35 HE2 MET 6 1HE MET 6 -19.267 13.983 3.292 36 HE3 MET 6 2HE MET 6 -18.152 12.782 2.674 37 H ALA 7 H ALA 7 -18.146 8.855 1.758 38 HA ALA 7 HA ALA 7 -16.128 6.968 1.272 39 HB1 ALA 7 1HB ALA 7 -18.523 7.412 0.140 40 HB2 ALA 7 2HB ALA 7 -17.247 6.455 -0.610 41 HB3 ALA 7 3HB ALA 7 -17.480 8.127 -1.095 42 H ASP 8 H ASP 8 -15.859 10.310 1.147 43 HA ASP 8 HA ASP 8 -14.197 10.627 -1.136 44 HB2 ASP 8 2HB ASP 8 -15.328 12.489 0.208 45 HB3 ASP 8 1HB ASP 8 -14.008 12.304 1.364 46 H LYS 9 H LYS 9 -13.335 8.329 -0.019 47 HA LYS 9 HA LYS 9 -10.612 8.914 0.936 48 HB2 LYS 9 2HB LYS 9 -12.538 6.848 1.969 49 HB3 LYS 9 1HB LYS 9 -10.829 6.980 2.411 50 HG2 LYS 9 2HG LYS 9 -11.227 9.274 3.253 51 HG3 LYS 9 1HG LYS 9 -12.933 9.121 2.850 52 HD2 LYS 9 2HD LYS 9 -13.093 7.156 4.404 53 HD3 LYS 9 1HD LYS 9 -11.401 7.427 4.818 54 HE2 LYS 9 2HE LYS 9 -12.456 8.615 6.504 55 HE3 LYS 9 1HE LYS 9 -12.131 9.862 5.326 56 HZ1 LYS 9 3HZ LYS 9 -14.627 8.875 6.227 57 HZ2 LYS 9 1HZ LYS 9 -14.577 8.858 4.523 58 HZ3 LYS 9 2HZ LYS 9 -14.243 10.283 5.417 59 H ILE 10 H ILE 10 -9.267 6.969 0.750 60 HA ILE 10 HA ILE 10 -9.924 5.383 -1.676 61 HB ILE 10 HB ILE 10 -7.138 5.947 -0.585 62 HG12 ILE 10 2HG1 ILE 10 -8.409 7.154 -3.054 63 HG13 ILE 10 1HG1 ILE 10 -8.337 8.035 -1.515 64 HG21 ILE 10 1HG2 ILE 10 -6.902 5.296 -3.207 65 HG22 ILE 10 2HG2 ILE 10 -8.271 4.295 -2.738 66 HG23 ILE 10 3HG2 ILE 10 -6.740 4.162 -1.870 67 HD11 ILE 10 3HD1 ILE 10 -6.308 8.727 -2.173 68 HD12 ILE 10 1HD1 ILE 10 -6.288 7.585 -3.515 69 HD13 ILE 10 2HD1 ILE 10 -5.747 7.070 -1.923 70 H LYS 11 H LYS 11 -10.057 3.220 -1.319 71 HA LYS 11 HA LYS 11 -9.504 2.211 1.374 72 HB2 LYS 11 2HB LYS 11 -10.751 0.973 -1.066 73 HB3 LYS 11 1HB LYS 11 -10.539 0.143 0.489 74 HG2 LYS 11 2HG LYS 11 -12.010 1.742 1.562 75 HG3 LYS 11 1HG LYS 11 -12.120 2.701 0.090 76 HD2 LYS 11 2HD LYS 11 -14.106 1.376 0.042 77 HD3 LYS 11 1HD LYS 11 -13.013 0.585 -1.061 78 HE2 LYS 11 2HE LYS 11 -12.558 -1.199 0.375 79 HE3 LYS 11 1HE LYS 11 -12.978 -0.319 1.826 80 HZ1 LYS 11 3HZ LYS 11 -15.158 -0.618 -0.057 81 HZ2 LYS 11 1HZ LYS 11 -15.092 -0.811 1.625 82 HZ3 LYS 11 2HZ LYS 11 -14.567 -2.068 0.534 83 H CYS 12 H CYS 12 -7.301 1.748 1.562 84 HA CYS 12 HA CYS 12 -6.227 -0.098 -0.429 85 HB2 CYS 12 2HB CYS 12 -4.846 1.313 -1.449 86 HB3 CYS 12 1HB CYS 12 -5.630 2.640 -0.611 87 HG CYS 12 HG CYS 12 -2.945 2.430 -0.142 88 H SER 13 H SER 13 -4.037 -0.880 0.098 89 HA SER 13 HA SER 13 -3.431 -0.871 2.956 90 HB2 SER 13 2HB SER 13 -3.434 -3.356 1.234 91 HB3 SER 13 1HB SER 13 -3.117 -3.267 2.950 92 HG SER 13 HG SER 13 -5.533 -2.203 1.982 93 H HIS 14 H HIS 14 -1.177 -1.196 3.369 94 HA HIS 14 HA HIS 14 0.476 -1.286 0.962 95 HB2 HIS 14 2HB HIS 14 1.514 0.754 1.193 96 HB3 HIS 14 1HB HIS 14 -0.070 1.142 1.845 97 HD2 HIS 14 2HD HIS 14 0.369 0.064 4.954 98 HE1 HIS 14 1HE HIS 14 3.712 2.629 4.983 99 HE2 HIS 14 2HE HIS 14 2.081 1.349 6.437 100 H ILE 15 H ILE 15 2.553 -1.831 1.158 101 HA ILE 15 HA ILE 15 3.390 -2.997 3.722 102 HB ILE 15 HB ILE 15 3.794 -4.086 0.913 103 HG12 ILE 15 2HG1 ILE 15 2.309 -5.290 3.283 104 HG13 ILE 15 1HG1 ILE 15 1.538 -4.421 1.989 105 HG21 ILE 15 1HG2 ILE 15 4.519 -5.951 2.980 106 HG22 ILE 15 2HG2 ILE 15 5.467 -4.459 3.202 107 HG23 ILE 15 3HG2 ILE 15 5.479 -5.308 1.662 108 HD11 ILE 15 3HD1 ILE 15 3.219 -6.899 1.617 109 HD12 ILE 15 1HD1 ILE 15 2.384 -6.000 0.338 110 HD13 ILE 15 2HD1 ILE 15 1.448 -6.819 1.591 111 H LEU 16 H LEU 16 5.229 -1.993 4.394 112 HA LEU 16 HA LEU 16 6.738 -0.372 2.467 113 HB2 LEU 16 2HB LEU 16 6.036 0.645 4.640 114 HB3 LEU 16 1HB LEU 16 7.005 -0.554 5.486 115 HG LEU 16 HG LEU 16 9.036 0.276 4.246 116 HD11 LEU 16 1HD1 LEU 16 8.053 2.860 3.516 117 HD12 LEU 16 2HD1 LEU 16 7.057 1.670 2.701 118 HD13 LEU 16 3HD1 LEU 16 8.810 1.645 2.505 119 HD21 LEU 16 3HD2 LEU 16 9.378 2.128 5.668 120 HD22 LEU 16 1HD2 LEU 16 8.208 1.167 6.563 121 HD23 LEU 16 2HD2 LEU 16 7.686 2.582 5.660 122 H VAL 17 H VAL 17 8.615 -1.048 1.663 123 HA VAL 17 HA VAL 17 10.048 -3.219 3.049 124 HB VAL 17 HB VAL 17 10.516 -4.269 0.895 125 HG11 VAL 17 1HG1 VAL 17 8.468 -4.901 2.215 126 HG12 VAL 17 2HG1 VAL 17 8.297 -5.192 0.486 127 HG13 VAL 17 3HG1 VAL 17 7.535 -3.782 1.222 128 HG21 VAL 17 3HG2 VAL 17 10.453 -2.556 -0.730 129 HG22 VAL 17 1HG2 VAL 17 8.911 -1.922 -0.147 130 HG23 VAL 17 2HG2 VAL 17 8.961 -3.435 -1.044 131 H LYS 18 H LYS 18 12.233 -3.287 2.762 132 HA LYS 18 HA LYS 18 13.439 -0.763 2.729 133 HB2 LYS 18 2HB LYS 18 14.652 -3.527 2.688 134 HB3 LYS 18 1HB LYS 18 15.587 -2.051 2.865 135 HG2 LYS 18 2HG LYS 18 14.339 -1.423 4.890 136 HG3 LYS 18 1HG LYS 18 13.330 -2.861 4.736 137 HD2 LYS 18 2HD LYS 18 16.321 -3.170 4.856 138 HD3 LYS 18 1HD LYS 18 15.435 -2.901 6.349 139 HE2 LYS 18 2HE LYS 18 14.747 -5.072 4.352 140 HE3 LYS 18 1HE LYS 18 15.755 -5.338 5.769 141 HZ1 LYS 18 3HZ LYS 18 12.922 -5.160 5.592 142 HZ2 LYS 18 1HZ LYS 18 13.496 -4.079 6.761 143 HZ3 LYS 18 2HZ LYS 18 13.876 -5.723 6.842 144 H LYS 19 H LYS 19 13.346 -3.322 0.308 145 HA LYS 19 HA LYS 19 14.844 -1.536 -1.506 146 HB2 LYS 19 2HB LYS 19 14.870 -4.532 -1.365 147 HB3 LYS 19 1HB LYS 19 15.670 -3.590 -2.619 148 HG2 LYS 19 2HG LYS 19 16.957 -2.376 -0.867 149 HG3 LYS 19 1HG LYS 19 16.245 -3.406 0.361 150 HD2 LYS 19 2HD LYS 19 17.784 -4.512 -2.011 151 HD3 LYS 19 1HD LYS 19 18.550 -4.161 -0.471 152 HE2 LYS 19 2HE LYS 19 16.245 -6.087 -0.902 153 HE3 LYS 19 1HE LYS 19 17.903 -6.540 -0.572 154 HZ1 LYS 19 3HZ LYS 19 17.447 -6.364 1.600 155 HZ2 LYS 19 1HZ LYS 19 15.883 -5.860 1.264 156 HZ3 LYS 19 2HZ LYS 19 17.147 -4.731 1.416 157 H GLN 20 H GLN 20 14.440 -1.561 -3.689 158 HA GLN 20 HA GLN 20 11.735 -1.550 -4.477 159 HB2 GLN 20 2HB GLN 20 13.595 -0.211 -5.542 160 HB3 GLN 20 1HB GLN 20 14.196 -1.696 -6.252 161 HG2 GLN 20 2HG GLN 20 12.060 -2.002 -7.461 162 HG3 GLN 20 1HG GLN 20 11.452 -0.526 -6.701 163 HE21 GLN 20 1HE2 GLN 20 11.678 -0.725 -9.561 164 HE22 GLN 20 2HE2 GLN 20 12.886 0.351 -10.050 165 H GLY 21 H GLY 21 14.367 -3.873 -4.900 166 HA2 GLY 21 2HA GLY 21 13.009 -5.701 -6.581 167 HA3 GLY 21 1HA GLY 21 14.363 -6.136 -5.540 168 H GLU 22 H GLU 22 13.137 -5.363 -3.082 169 HA GLU 22 HA GLU 22 11.678 -7.697 -2.437 170 HB2 GLU 22 2HB GLU 22 11.879 -5.019 -1.031 171 HB3 GLU 22 1HB GLU 22 11.086 -6.451 -0.384 172 HG2 GLU 22 2HG GLU 22 13.160 -7.715 -0.430 173 HG3 GLU 22 1HG GLU 22 13.989 -6.409 -1.254 174 H ALA 23 H ALA 23 10.757 -4.386 -3.195 175 HA ALA 23 HA ALA 23 8.012 -4.681 -2.773 176 HB1 ALA 23 1HB ALA 23 7.926 -2.795 -4.639 177 HB2 ALA 23 2HB ALA 23 9.667 -2.768 -4.326 178 HB3 ALA 23 3HB ALA 23 8.535 -2.462 -3.017 179 H LEU 24 H LEU 24 9.976 -5.268 -5.640 180 HA LEU 24 HA LEU 24 7.838 -5.985 -7.404 181 HB2 LEU 24 2HB LEU 24 10.798 -6.559 -7.381 182 HB3 LEU 24 1HB LEU 24 9.759 -7.426 -8.483 183 HG LEU 24 HG LEU 24 10.848 -5.218 -9.318 184 HD11 LEU 24 1HD1 LEU 24 8.635 -4.638 -10.500 185 HD12 LEU 24 2HD1 LEU 24 7.987 -6.031 -9.644 186 HD13 LEU 24 3HD1 LEU 24 9.353 -6.227 -10.745 187 HD21 LEU 24 3HD2 LEU 24 8.460 -4.078 -7.806 188 HD22 LEU 24 1HD2 LEU 24 9.567 -3.212 -8.867 189 HD23 LEU 24 2HD2 LEU 24 10.154 -3.857 -7.340 190 H ALA 25 H ALA 25 9.835 -7.828 -5.169 191 HA ALA 25 HA ALA 25 8.925 -10.394 -5.822 192 HB1 ALA 25 1HB ALA 25 10.617 -9.299 -3.838 193 HB2 ALA 25 2HB ALA 25 10.351 -11.004 -4.219 194 HB3 ALA 25 3HB ALA 25 9.392 -10.235 -2.975 195 H VAL 26 H VAL 26 7.716 -8.133 -3.357 196 HA VAL 26 HA VAL 26 5.639 -9.855 -2.533 197 HB VAL 26 HB VAL 26 4.652 -7.910 -1.400 198 HG11 VAL 26 1HG1 VAL 26 6.685 -9.167 -0.501 199 HG12 VAL 26 2HG1 VAL 26 6.445 -7.540 0.139 200 HG13 VAL 26 3HG1 VAL 26 7.663 -7.820 -1.096 201 HG21 VAL 26 3HG2 VAL 26 5.687 -5.738 -1.560 202 HG22 VAL 26 1HG2 VAL 26 5.204 -6.218 -3.192 203 HG23 VAL 26 2HG2 VAL 26 6.892 -6.354 -2.689 204 H GLN 27 H GLN 27 5.749 -7.303 -5.002 205 HA GLN 27 HA GLN 27 2.982 -7.370 -5.636 206 HB2 GLN 27 2HB GLN 27 5.382 -6.832 -7.380 207 HB3 GLN 27 1HB GLN 27 3.734 -6.719 -7.956 208 HG2 GLN 27 2HG GLN 27 3.250 -5.014 -6.256 209 HG3 GLN 27 1HG GLN 27 4.930 -5.109 -5.692 210 HE21 GLN 27 1HE2 GLN 27 2.896 -3.595 -7.943 211 HE22 GLN 27 2HE2 GLN 27 4.085 -2.909 -8.937 212 H GLU 28 H GLU 28 5.721 -9.196 -6.884 213 HA GLU 28 HA GLU 28 4.245 -10.686 -8.762 214 HB2 GLU 28 2HB GLU 28 6.762 -10.459 -8.693 215 HB3 GLU 28 1HB GLU 28 6.770 -11.560 -7.328 216 HG2 GLU 28 2HG GLU 28 7.202 -12.880 -9.279 217 HG3 GLU 28 1HG GLU 28 5.564 -13.249 -8.776 218 H ARG 29 H ARG 29 5.188 -11.332 -5.432 219 HA ARG 29 HA ARG 29 3.993 -13.899 -5.329 220 HB2 ARG 29 2HB ARG 29 5.772 -13.215 -3.738 221 HB3 ARG 29 1HB ARG 29 4.636 -12.087 -2.988 222 HG2 ARG 29 2HG ARG 29 3.177 -13.899 -2.315 223 HG3 ARG 29 1HG ARG 29 4.111 -15.065 -3.240 224 HD2 ARG 29 2HD ARG 29 6.105 -14.511 -1.758 225 HD3 ARG 29 1HD ARG 29 5.009 -13.551 -0.775 226 HE ARG 29 HE ARG 29 3.814 -16.071 -1.005 227 HH11 ARG 29 1HH2 ARG 29 6.810 -14.732 0.254 228 HH12 ARG 29 2HH2 ARG 29 6.977 -15.916 1.452 229 HH21 ARG 29 1HH1 ARG 29 4.034 -17.610 0.584 230 HH22 ARG 29 2HH1 ARG 29 5.357 -17.609 1.675 231 H LEU 30 H LEU 30 2.735 -10.689 -4.595 232 HA LEU 30 HA LEU 30 0.420 -11.446 -3.244 233 HB2 LEU 30 2HB LEU 30 1.387 -9.026 -4.565 234 HB3 LEU 30 1HB LEU 30 -0.317 -9.252 -4.855 235 HG LEU 30 HG LEU 30 -0.264 -8.003 -2.875 236 HD11 LEU 30 1HD1 LEU 30 -1.502 -9.285 -1.459 237 HD12 LEU 30 2HD1 LEU 30 -0.337 -10.583 -1.396 238 HD13 LEU 30 3HD1 LEU 30 -1.438 -10.454 -2.762 239 HD21 LEU 30 3HD2 LEU 30 1.903 -7.917 -2.093 240 HD22 LEU 30 1HD2 LEU 30 2.142 -9.657 -2.258 241 HD23 LEU 30 2HD2 LEU 30 1.217 -9.012 -0.895 242 H LYS 31 H LYS 31 1.243 -11.557 -6.590 243 HA LYS 31 HA LYS 31 -1.342 -11.721 -7.694 244 HB2 LYS 31 2HB LYS 31 1.081 -13.177 -8.758 245 HB3 LYS 31 1HB LYS 31 -0.303 -12.600 -9.660 246 HG2 LYS 31 2HG LYS 31 1.809 -10.869 -8.324 247 HG3 LYS 31 1HG LYS 31 1.569 -11.119 -10.030 248 HD2 LYS 31 2HD LYS 31 -0.755 -10.074 -9.802 249 HD3 LYS 31 1HD LYS 31 -0.334 -9.707 -8.154 250 HE2 LYS 31 2HE LYS 31 1.497 -8.273 -8.769 251 HE3 LYS 31 1HE LYS 31 1.414 -8.794 -10.438 252 HZ1 LYS 31 3HZ LYS 31 -0.631 -7.045 -9.064 253 HZ2 LYS 31 1HZ LYS 31 -0.819 -7.780 -10.571 254 HZ3 LYS 31 2HZ LYS 31 0.433 -6.731 -10.287 255 H ALA 32 H ALA 32 0.735 -14.014 -6.054 256 HA ALA 32 HA ALA 32 -0.458 -16.438 -6.767 257 HB1 ALA 32 1HB ALA 32 0.690 -17.386 -4.948 258 HB2 ALA 32 2HB ALA 32 0.627 -15.887 -4.018 259 HB3 ALA 32 3HB ALA 32 1.703 -16.012 -5.402 260 H GLY 33 H GLY 33 -1.570 -13.853 -4.783 261 HA2 GLY 33 2HA GLY 33 -3.777 -13.571 -4.115 262 HA3 GLY 33 1HA GLY 33 -4.056 -15.301 -4.284 263 H GLU 34 H GLU 34 -1.179 -14.506 -2.575 264 HA GLU 34 HA GLU 34 -2.205 -15.602 -0.149 265 HB2 GLU 34 2HB GLU 34 0.351 -13.949 -0.488 266 HB3 GLU 34 1HB GLU 34 -0.100 -14.932 0.875 267 HG2 GLU 34 2HG GLU 34 -0.154 -16.957 -0.576 268 HG3 GLU 34 1HG GLU 34 0.370 -15.976 -1.925 269 H LYS 35 H LYS 35 -2.494 -14.442 1.849 270 HA LYS 35 HA LYS 35 -4.154 -12.202 1.549 271 HB2 LYS 35 2HB LYS 35 -3.756 -13.880 3.583 272 HB3 LYS 35 1HB LYS 35 -2.686 -12.590 4.120 273 HG2 LYS 35 2HG LYS 35 -4.529 -10.965 4.018 274 HG3 LYS 35 1HG LYS 35 -5.593 -12.208 3.377 275 HD2 LYS 35 2HD LYS 35 -5.331 -13.545 5.432 276 HD3 LYS 35 1HD LYS 35 -4.254 -12.314 6.083 277 HE2 LYS 35 2HE LYS 35 -6.273 -11.681 7.051 278 HE3 LYS 35 1HE LYS 35 -6.240 -10.657 5.634 279 HZ1 LYS 35 3HZ LYS 35 -7.499 -13.287 5.216 280 HZ2 LYS 35 1HZ LYS 35 -7.987 -11.749 4.707 281 HZ3 LYS 35 2HZ LYS 35 -8.271 -12.253 6.271 282 H PHE 36 H PHE 36 -3.661 -10.112 1.242 283 HA PHE 36 HA PHE 36 -1.027 -9.134 0.877 284 HB2 PHE 36 2HB PHE 36 -3.152 -8.074 -0.039 285 HB3 PHE 36 1HB PHE 36 -3.494 -7.512 1.586 286 HD1 PHE 36 1HD PHE 36 -1.067 -7.292 -1.211 287 HD2 PHE 36 2HD PHE 36 -2.354 -5.601 2.516 288 HE1 PHE 36 1HE PHE 36 0.402 -5.334 -1.597 289 HE2 PHE 36 2HE PHE 36 -0.895 -3.647 2.133 290 HZ PHE 36 HZ PHE 36 0.489 -3.510 0.067 291 H GLY 37 H GLY 37 -3.304 -8.925 3.539 292 HA2 GLY 37 2HA GLY 37 -1.695 -7.413 5.228 293 HA3 GLY 37 1HA GLY 37 -3.037 -8.454 5.778 294 H LYS 38 H LYS 38 -1.855 -10.853 4.713 295 HA LYS 38 HA LYS 38 -0.170 -11.642 6.866 296 HB2 LYS 38 2HB LYS 38 -1.439 -13.280 5.522 297 HB3 LYS 38 1HB LYS 38 -0.408 -12.916 4.118 298 HG2 LYS 38 2HG LYS 38 1.569 -13.650 5.464 299 HG3 LYS 38 1HG LYS 38 0.482 -14.059 6.787 300 HD2 LYS 38 2HD LYS 38 -0.713 -15.663 5.332 301 HD3 LYS 38 1HD LYS 38 0.374 -15.286 4.006 302 HE2 LYS 38 2HE LYS 38 1.146 -16.535 6.662 303 HE3 LYS 38 1HE LYS 38 1.117 -17.295 5.062 304 HZ1 LYS 38 3HZ LYS 38 3.232 -16.712 4.999 305 HZ2 LYS 38 1HZ LYS 38 3.137 -15.557 6.218 306 HZ3 LYS 38 2HZ LYS 38 2.705 -15.156 4.626 307 H LEU 39 H LEU 39 0.454 -10.729 3.496 308 HA LEU 39 HA LEU 39 3.244 -10.961 3.648 309 HB2 LEU 39 2HB LEU 39 1.552 -9.194 1.874 310 HB3 LEU 39 1HB LEU 39 3.283 -9.358 1.712 311 HG LEU 39 HG LEU 39 1.150 -11.205 0.862 312 HD11 LEU 39 1HD1 LEU 39 2.479 -11.463 -0.956 313 HD12 LEU 39 2HD1 LEU 39 3.948 -11.573 0.019 314 HD13 LEU 39 3HD1 LEU 39 3.258 -9.995 -0.335 315 HD21 LEU 39 3HD2 LEU 39 2.554 -13.247 1.191 316 HD22 LEU 39 1HD2 LEU 39 1.924 -12.622 2.703 317 HD23 LEU 39 2HD2 LEU 39 3.629 -12.360 2.242 318 H ALA 40 H ALA 40 1.066 -8.378 4.478 319 HA ALA 40 HA ALA 40 2.967 -6.383 4.836 320 HB1 ALA 40 1HB ALA 40 1.382 -5.205 6.134 321 HB2 ALA 40 2HB ALA 40 0.614 -6.698 6.702 322 HB3 ALA 40 3HB ALA 40 0.408 -6.181 5.033 323 H LYS 41 H LYS 41 1.728 -8.743 7.112 324 HA LYS 41 HA LYS 41 3.633 -8.152 9.162 325 HB2 LYS 41 2HB LYS 41 1.875 -10.558 8.760 326 HB3 LYS 41 1HB LYS 41 3.062 -10.499 10.052 327 HG2 LYS 41 2HG LYS 41 2.055 -8.410 10.917 328 HG3 LYS 41 1HG LYS 41 0.840 -8.462 9.633 329 HD2 LYS 41 2HD LYS 41 -0.089 -10.534 10.499 330 HD3 LYS 41 1HD LYS 41 1.242 -10.714 11.629 331 HE2 LYS 41 2HE LYS 41 -0.942 -9.817 12.602 332 HE3 LYS 41 1HE LYS 41 0.513 -8.896 12.973 333 HZ1 LYS 41 3HZ LYS 41 -1.414 -8.232 10.775 334 HZ2 LYS 41 1HZ LYS 41 -0.137 -7.231 11.310 335 HZ3 LYS 41 2HZ LYS 41 -1.399 -7.589 12.326 336 H GLU 42 H GLU 42 3.700 -10.386 6.464 337 HA GLU 42 HA GLU 42 5.994 -11.833 7.295 338 HB2 GLU 42 2HB GLU 42 4.896 -11.335 4.536 339 HB3 GLU 42 1HB GLU 42 6.155 -12.475 4.854 340 HG2 GLU 42 2HG GLU 42 3.403 -12.622 6.145 341 HG3 GLU 42 1HG GLU 42 3.882 -13.531 4.718 342 H LEU 43 H LEU 43 5.650 -9.094 5.051 343 HA LEU 43 HA LEU 43 8.612 -8.852 4.954 344 HB2 LEU 43 2HB LEU 43 6.629 -7.785 2.970 345 HB3 LEU 43 1HB LEU 43 8.373 -7.860 2.813 346 HG LEU 43 HG LEU 43 7.638 -10.515 3.395 347 HD11 LEU 43 1HD1 LEU 43 5.939 -10.964 1.614 348 HD12 LEU 43 2HD1 LEU 43 5.673 -9.222 1.488 349 HD13 LEU 43 3HD1 LEU 43 5.304 -10.060 2.980 350 HD21 LEU 43 3HD2 LEU 43 8.463 -8.962 0.967 351 HD22 LEU 43 1HD2 LEU 43 8.014 -10.657 0.778 352 HD23 LEU 43 2HD2 LEU 43 9.348 -10.213 1.843 353 H SER 44 H SER 44 5.681 -6.928 5.179 354 HA SER 44 HA SER 44 6.806 -4.489 4.786 355 HB2 SER 44 2HB SER 44 4.760 -3.542 5.521 356 HB3 SER 44 1HB SER 44 4.371 -5.195 5.108 357 HG SER 44 HG SER 44 4.511 -5.709 7.283 358 H ILE 45 H ILE 45 7.885 -2.966 5.935 359 HA ILE 45 HA ILE 45 8.869 -3.800 8.578 360 HB ILE 45 HB ILE 45 10.611 -2.133 8.275 361 HG12 ILE 45 2HG1 ILE 45 9.415 -1.627 5.522 362 HG13 ILE 45 1HG1 ILE 45 9.272 -0.523 6.895 363 HG21 ILE 45 1HG2 ILE 45 10.902 -4.430 7.334 364 HG22 ILE 45 2HG2 ILE 45 11.811 -3.205 6.455 365 HG23 ILE 45 3HG2 ILE 45 10.322 -3.840 5.770 366 HD11 ILE 45 3HD1 ILE 45 11.131 0.287 5.649 367 HD12 ILE 45 1HD1 ILE 45 11.762 -1.337 5.395 368 HD13 ILE 45 2HD1 ILE 45 11.848 -0.598 6.988 369 H ASP 46 H ASP 46 6.454 -2.003 7.323 370 HA ASP 46 HA ASP 46 6.462 0.133 9.323 371 HB2 ASP 46 2HB ASP 46 5.564 0.604 7.051 372 HB3 ASP 46 1HB ASP 46 4.353 -0.649 7.291 373 H GLY 47 H GLY 47 6.354 -0.949 11.237 374 HA2 GLY 47 2HA GLY 47 4.711 -3.143 11.818 375 HA3 GLY 47 1HA GLY 47 5.378 -2.042 13.018 376 H GLY 48 H GLY 48 4.191 0.327 12.281 377 HA2 GLY 48 2HA GLY 48 1.754 0.266 13.605 378 HA3 GLY 48 1HA GLY 48 2.259 1.555 12.512 379 H SER 49 H SER 49 2.429 0.221 10.131 380 HA SER 49 HA SER 49 -0.341 -0.044 9.396 381 HB2 SER 49 2HB SER 49 2.214 -0.564 7.869 382 HB3 SER 49 1HB SER 49 0.611 -0.683 7.180 383 HG SER 49 HG SER 49 2.067 1.565 8.020 384 H ALA 50 H ALA 50 2.290 -2.253 10.188 385 HA ALA 50 HA ALA 50 1.095 -4.611 9.181 386 HB1 ALA 50 1HB ALA 50 3.533 -4.285 9.850 387 HB2 ALA 50 2HB ALA 50 2.786 -5.794 10.335 388 HB3 ALA 50 3HB ALA 50 2.997 -4.500 11.515 389 H LYS 51 H LYS 51 0.609 -2.735 11.993 390 HA LYS 51 HA LYS 51 -0.692 -4.660 13.665 391 HB2 LYS 51 2HB LYS 51 -1.143 -1.665 13.490 392 HB3 LYS 51 1HB LYS 51 -1.704 -2.705 14.782 393 HG2 LYS 51 2HG LYS 51 1.218 -2.263 14.061 394 HG3 LYS 51 1HG LYS 51 0.360 -1.550 15.419 395 HD2 LYS 51 2HD LYS 51 -0.039 -3.785 16.400 396 HD3 LYS 51 1HD LYS 51 0.743 -4.551 15.031 397 HE2 LYS 51 2HE LYS 51 2.189 -4.253 17.077 398 HE3 LYS 51 1HE LYS 51 2.873 -3.657 15.575 399 HZ1 LYS 51 3HZ LYS 51 2.095 -1.399 16.200 400 HZ2 LYS 51 1HZ LYS 51 3.155 -2.050 17.321 401 HZ3 LYS 51 2HZ LYS 51 1.514 -2.020 17.664 402 H ARG 52 H ARG 52 -1.715 -2.584 11.062 403 HA ARG 52 HA ARG 52 -4.419 -3.746 11.136 404 HB2 ARG 52 2HB ARG 52 -3.262 -1.401 9.600 405 HB3 ARG 52 1HB ARG 52 -4.870 -2.054 9.334 406 HG2 ARG 52 2HG ARG 52 -4.557 -1.682 12.164 407 HG3 ARG 52 1HG ARG 52 -4.051 -0.201 11.374 408 HD2 ARG 52 2HD ARG 52 -6.655 -1.637 10.805 409 HD3 ARG 52 1HD ARG 52 -6.512 -0.290 11.896 410 HE ARG 52 HE ARG 52 -6.382 -0.214 8.974 411 HH11 ARG 52 1HH2 ARG 52 -5.746 1.451 12.001 412 HH12 ARG 52 2HH2 ARG 52 -5.943 3.016 11.339 413 HH21 ARG 52 1HH1 ARG 52 -6.652 1.978 8.096 414 HH22 ARG 52 2HH1 ARG 52 -6.443 3.301 9.157 415 H ASP 53 H ASP 53 -1.691 -4.861 10.287 416 HA ASP 53 HA ASP 53 -0.862 -6.312 8.722 417 HB2 ASP 53 2HB ASP 53 -3.710 -6.495 7.693 418 HB3 ASP 53 1HB ASP 53 -2.390 -7.609 7.450 419 H GLY 54 H GLY 54 -1.099 -3.423 8.184 420 HA2 GLY 54 2HA GLY 54 -0.421 -2.091 6.403 421 HA3 GLY 54 1HA GLY 54 -0.505 -3.491 5.352 422 H SER 55 H SER 55 -3.361 -3.652 6.900 423 HA SER 55 HA SER 55 -4.810 -2.609 4.664 424 HB2 SER 55 2HB SER 55 -6.191 -3.316 7.217 425 HB3 SER 55 1HB SER 55 -6.637 -3.677 5.559 426 HG SER 55 HG SER 55 -4.906 -4.886 7.341 427 H LEU 56 H LEU 56 -4.166 -0.441 4.687 428 HA LEU 56 HA LEU 56 -4.547 1.316 6.858 429 HB2 LEU 56 2HB LEU 56 -4.493 1.863 3.873 430 HB3 LEU 56 1HB LEU 56 -4.488 3.105 5.099 431 HG LEU 56 HG LEU 56 -2.394 0.916 4.921 432 HD11 LEU 56 1HD1 LEU 56 -1.626 3.720 4.422 433 HD12 LEU 56 2HD1 LEU 56 -2.642 2.992 3.177 434 HD13 LEU 56 3HD1 LEU 56 -1.117 2.233 3.628 435 HD21 LEU 56 3HD2 LEU 56 -1.215 2.722 6.423 436 HD22 LEU 56 1HD2 LEU 56 -2.379 1.635 7.167 437 HD23 LEU 56 2HD2 LEU 56 -2.844 3.292 6.738 438 H GLY 57 H GLY 57 -6.598 0.284 4.206 439 HA2 GLY 57 2HA GLY 57 -8.953 0.093 4.295 440 HA3 GLY 57 1HA GLY 57 -8.939 1.067 5.753 441 H TYR 58 H TYR 58 -10.425 2.565 5.141 442 HA TYR 58 HA TYR 58 -10.192 4.055 2.645 443 HB2 TYR 58 2HB TYR 58 -11.872 4.731 5.073 444 HB3 TYR 58 1HB TYR 58 -12.025 5.351 3.482 445 HD1 TYR 58 2HD TYR 58 -12.130 2.001 5.222 446 HD2 TYR 58 1HD TYR 58 -13.563 4.431 1.969 447 HE1 TYR 58 2HE TYR 58 -13.678 0.224 4.579 448 HE2 TYR 58 1HE TYR 58 -15.130 2.633 1.338 449 HH TYR 58 HH TYR 58 -16.144 0.364 3.128 450 H PHE 59 H PHE 59 -9.044 5.929 2.497 451 HA PHE 59 HA PHE 59 -8.694 7.563 4.892 452 HB2 PHE 59 2HB PHE 59 -6.295 7.918 4.496 453 HB3 PHE 59 1HB PHE 59 -6.620 6.239 4.871 454 HD1 PHE 59 1HD PHE 59 -5.833 8.613 2.141 455 HD2 PHE 59 2HD PHE 59 -6.317 4.489 3.226 456 HE1 PHE 59 1HE PHE 59 -4.806 7.934 -0.002 457 HE2 PHE 59 2HE PHE 59 -5.297 3.808 1.085 458 HZ PHE 59 HZ PHE 59 -4.535 5.543 -0.543 459 H GLY 60 H GLY 60 -8.282 9.775 4.419 460 HA2 GLY 60 2HA GLY 60 -9.154 10.483 1.731 461 HA3 GLY 60 1HA GLY 60 -9.134 11.566 3.109 462 H ARG 61 H ARG 61 -8.003 12.426 0.746 463 HA ARG 61 HA ARG 61 -5.184 11.849 0.679 464 HB2 ARG 61 2HB ARG 61 -6.701 14.074 -0.702 465 HB3 ARG 61 1HB ARG 61 -5.046 13.581 -1.026 466 HG2 ARG 61 2HG ARG 61 -5.942 11.251 -1.552 467 HG3 ARG 61 1HG ARG 61 -7.555 11.959 -1.503 468 HD2 ARG 61 2HD ARG 61 -6.862 12.049 -3.814 469 HD3 ARG 61 1HD ARG 61 -6.784 13.669 -3.180 470 HE ARG 61 HE ARG 61 -4.248 12.644 -2.707 471 HH11 ARG 61 1HH2 ARG 61 -6.272 13.118 -5.529 472 HH12 ARG 61 2HH2 ARG 61 -4.946 13.369 -6.566 473 HH21 ARG 61 1HH1 ARG 61 -2.586 12.944 -4.011 474 HH22 ARG 61 2HH1 ARG 61 -2.725 13.270 -5.695 475 H GLY 62 H GLY 62 -3.519 13.439 0.968 476 HA2 GLY 62 2HA GLY 62 -3.127 15.801 1.694 477 HA3 GLY 62 1HA GLY 62 -4.194 15.485 3.044 478 H LYS 63 H LYS 63 -3.510 13.698 4.522 479 HA LYS 63 HA LYS 63 -0.904 14.124 5.493 480 HB2 LYS 63 2HB LYS 63 -2.799 13.297 6.851 481 HB3 LYS 63 1HB LYS 63 -2.698 11.733 6.023 482 HG2 LYS 63 2HG LYS 63 -0.329 11.532 6.798 483 HG3 LYS 63 1HG LYS 63 -0.525 13.044 7.682 484 HD2 LYS 63 2HD LYS 63 -2.403 12.012 8.979 485 HD3 LYS 63 1HD LYS 63 -2.104 10.489 8.159 486 HE2 LYS 63 2HE LYS 63 -0.183 11.970 9.972 487 HE3 LYS 63 1HE LYS 63 -0.977 10.432 10.266 488 HZ1 LYS 63 3HZ LYS 63 0.274 10.011 7.880 489 HZ2 LYS 63 1HZ LYS 63 0.869 9.530 9.377 490 HZ3 LYS 63 2HZ LYS 63 1.385 10.981 8.704 491 H MET 64 H MET 64 -2.307 11.704 3.445 492 HA MET 64 HA MET 64 -0.234 9.806 3.386 493 HB2 MET 64 2HB MET 64 -2.142 10.516 1.163 494 HB3 MET 64 1HB MET 64 -1.326 8.986 1.370 495 HG2 MET 64 2HG MET 64 -3.271 10.105 3.442 496 HG3 MET 64 1HG MET 64 -3.716 8.972 2.191 497 HE1 MET 64 3HE MET 64 -1.676 5.990 2.576 498 HE2 MET 64 1HE MET 64 -2.699 7.069 1.612 499 HE3 MET 64 2HE MET 64 -3.417 6.051 2.827 500 H VAL 65 H VAL 65 1.528 9.581 1.952 501 HA VAL 65 HA VAL 65 2.508 12.025 0.858 502 HB VAL 65 HB VAL 65 4.512 10.793 0.212 503 HG11 VAL 65 1HG1 VAL 65 3.327 10.230 2.925 504 HG12 VAL 65 2HG1 VAL 65 4.640 11.319 2.486 505 HG13 VAL 65 3HG1 VAL 65 4.912 9.581 2.502 506 HG21 VAL 65 3HG2 VAL 65 3.655 8.739 -0.670 507 HG22 VAL 65 1HG2 VAL 65 2.797 8.382 0.843 508 HG23 VAL 65 2HG2 VAL 65 4.559 8.295 0.780 509 H LYS 66 H LYS 66 2.388 12.764 -1.155 510 HA LYS 66 HA LYS 66 0.354 12.042 -2.824 511 HB2 LYS 66 2HB LYS 66 2.938 13.232 -3.852 512 HB3 LYS 66 1HB LYS 66 1.341 13.369 -4.566 513 HG2 LYS 66 2HG LYS 66 1.975 14.410 -1.769 514 HG3 LYS 66 1HG LYS 66 2.083 15.378 -3.212 515 HD2 LYS 66 2HD LYS 66 -0.097 15.760 -3.227 516 HD3 LYS 66 1HD LYS 66 -0.505 14.055 -3.233 517 HE2 LYS 66 2HE LYS 66 0.245 15.634 -0.744 518 HE3 LYS 66 1HE LYS 66 -1.405 15.331 -1.251 519 HZ1 LYS 66 3HZ LYS 66 0.033 12.877 -1.233 520 HZ2 LYS 66 1HZ LYS 66 -1.348 13.292 -0.415 521 HZ3 LYS 66 2HZ LYS 66 0.106 13.574 0.315 522 HA PRO 67 HA PRO 67 3.387 9.137 -5.403 523 HB2 PRO 67 2HB PRO 67 4.653 7.886 -3.035 524 HB3 PRO 67 1HB PRO 67 5.348 8.310 -4.601 525 HG2 PRO 67 2HG PRO 67 5.606 9.734 -2.211 526 HG3 PRO 67 1HG PRO 67 6.123 10.253 -3.800 527 HD2 PRO 67 2HD PRO 67 4.108 11.451 -2.281 528 HD3 PRO 67 1HD PRO 67 4.395 11.737 -4.003 529 H PHE 68 H PHE 68 2.392 8.507 -2.093 530 HA PHE 68 HA PHE 68 1.434 5.844 -2.387 531 HB2 PHE 68 2HB PHE 68 2.006 6.981 -0.247 532 HB3 PHE 68 1HB PHE 68 0.477 7.883 -0.358 533 HD1 PHE 68 2HD PHE 68 -1.689 6.453 -0.583 534 HD2 PHE 68 1HD PHE 68 2.121 4.856 0.630 535 HE1 PHE 68 2HE PHE 68 -2.809 4.465 0.384 536 HE2 PHE 68 1HE PHE 68 1.013 2.912 1.577 537 HZ PHE 68 HZ PHE 68 -1.457 2.689 1.466 538 H GLU 69 H GLU 69 -0.103 9.002 -2.379 539 HA GLU 69 HA GLU 69 -2.764 8.131 -2.756 540 HB2 GLU 69 2HB GLU 69 -1.417 10.739 -3.530 541 HB3 GLU 69 1HB GLU 69 -3.144 10.461 -3.612 542 HG2 GLU 69 2HG GLU 69 -3.259 10.038 -1.212 543 HG3 GLU 69 1HG GLU 69 -1.510 10.172 -1.070 544 H ASP 70 H ASP 70 -0.244 9.060 -5.032 545 HA ASP 70 HA ASP 70 -1.703 8.868 -7.415 546 HB2 ASP 70 2HB ASP 70 0.465 9.784 -7.571 547 HB3 ASP 70 1HB ASP 70 1.207 8.383 -6.812 548 H ALA 71 H ALA 71 0.267 6.433 -5.778 549 HA ALA 71 HA ALA 71 -0.336 4.310 -7.561 550 HB1 ALA 71 1HB ALA 71 0.788 4.483 -4.805 551 HB2 ALA 71 2HB ALA 71 1.513 3.802 -6.261 552 HB3 ALA 71 3HB ALA 71 0.248 2.915 -5.402 553 H ALA 72 H ALA 72 -1.839 5.418 -4.574 554 HA ALA 72 HA ALA 72 -3.659 3.320 -4.241 555 HB1 ALA 72 1HB ALA 72 -4.768 4.696 -2.715 556 HB2 ALA 72 2HB ALA 72 -4.327 6.182 -3.559 557 HB3 ALA 72 3HB ALA 72 -3.113 5.281 -2.651 558 H PHE 73 H PHE 73 -3.999 6.394 -5.978 559 HA PHE 73 HA PHE 73 -6.610 5.843 -6.803 560 HB2 PHE 73 2HB PHE 73 -4.591 7.823 -7.806 561 HB3 PHE 73 1HB PHE 73 -6.157 7.653 -8.602 562 HD1 PHE 73 1HD PHE 73 -8.263 7.631 -7.039 563 HD2 PHE 73 2HD PHE 73 -4.425 9.212 -5.903 564 HE1 PHE 73 1HE PHE 73 -9.327 8.930 -5.252 565 HE2 PHE 73 2HE PHE 73 -5.475 10.504 -4.127 566 HZ PHE 73 HZ PHE 73 -7.960 10.376 -3.780 567 H ARG 74 H ARG 74 -3.500 5.172 -8.274 568 HA ARG 74 HA ARG 74 -4.467 4.459 -10.837 569 HB2 ARG 74 2HB ARG 74 -1.934 3.634 -9.401 570 HB3 ARG 74 1HB ARG 74 -2.321 3.128 -11.046 571 HG2 ARG 74 2HG ARG 74 -2.508 5.515 -11.731 572 HG3 ARG 74 1HG ARG 74 -2.083 6.006 -10.103 573 HD2 ARG 74 2HD ARG 74 -0.312 4.297 -11.877 574 HD3 ARG 74 1HD ARG 74 -0.172 6.019 -11.724 575 HE ARG 74 HE ARG 74 0.322 5.723 -9.335 576 HH11 ARG 74 1HH2 ARG 74 0.672 2.934 -11.490 577 HH12 ARG 74 2HH2 ARG 74 1.862 2.204 -10.507 578 HH21 ARG 74 1HH1 ARG 74 1.982 4.642 -8.073 579 HH22 ARG 74 2HH1 ARG 74 2.598 3.147 -8.608 580 H LEU 75 H LEU 75 -4.132 2.630 -7.883 581 HA LEU 75 HA LEU 75 -4.770 0.145 -9.271 582 HB2 LEU 75 2HB LEU 75 -4.079 0.568 -6.386 583 HB3 LEU 75 1HB LEU 75 -4.162 -0.956 -7.246 584 HG LEU 75 HG LEU 75 -2.290 1.301 -7.990 585 HD11 LEU 75 1HD1 LEU 75 -0.599 0.078 -7.089 586 HD12 LEU 75 2HD1 LEU 75 -1.601 -1.363 -6.772 587 HD13 LEU 75 3HD1 LEU 75 -1.817 0.112 -5.821 588 HD21 LEU 75 3HD2 LEU 75 -1.314 -0.930 -9.176 589 HD22 LEU 75 1HD2 LEU 75 -2.423 0.169 -9.985 590 HD23 LEU 75 2HD2 LEU 75 -3.038 -1.301 -9.244 591 H GLN 76 H GLN 76 -6.872 2.257 -8.658 592 HA GLN 76 HA GLN 76 -8.594 1.379 -6.652 593 HB2 GLN 76 2HB GLN 76 -9.260 2.568 -9.360 594 HB3 GLN 76 1HB GLN 76 -10.420 2.376 -8.045 595 HG2 GLN 76 2HG GLN 76 -9.134 3.799 -6.581 596 HG3 GLN 76 1HG GLN 76 -7.810 3.893 -7.717 597 HE21 GLN 76 1HE2 GLN 76 -7.839 5.711 -8.970 598 HE22 GLN 76 2HE2 GLN 76 -9.202 6.651 -9.345 599 H VAL 77 H VAL 77 -7.819 -0.029 -9.667 600 HA VAL 77 HA VAL 77 -9.951 -1.822 -10.040 601 HB VAL 77 HB VAL 77 -8.304 -1.260 -11.772 602 HG11 VAL 77 1HG1 VAL 77 -6.062 -2.037 -11.735 603 HG12 VAL 77 2HG1 VAL 77 -6.342 -3.059 -10.337 604 HG13 VAL 77 3HG1 VAL 77 -6.313 -1.298 -10.156 605 HG21 VAL 77 3HG2 VAL 77 -8.131 -3.422 -12.734 606 HG22 VAL 77 1HG2 VAL 77 -9.603 -3.465 -11.771 607 HG23 VAL 77 2HG2 VAL 77 -8.123 -4.224 -11.172 608 H GLY 78 H GLY 78 -7.230 -1.872 -7.850 609 HA2 GLY 78 2HA GLY 78 -7.528 -3.300 -5.813 610 HA3 GLY 78 1HA GLY 78 -8.056 -4.549 -6.921 611 H GLU 79 H GLU 79 -5.605 -2.944 -8.398 612 HA GLU 79 HA GLU 79 -3.966 -5.247 -8.127 613 HB2 GLU 79 2HB GLU 79 -4.081 -2.943 -9.880 614 HB3 GLU 79 1HB GLU 79 -2.437 -3.366 -9.444 615 HG2 GLU 79 2HG GLU 79 -4.502 -5.280 -10.611 616 HG3 GLU 79 1HG GLU 79 -3.137 -4.569 -11.464 617 H VAL 80 H VAL 80 -1.546 -4.886 -7.977 618 HA VAL 80 HA VAL 80 -0.975 -3.580 -5.378 619 HB VAL 80 HB VAL 80 0.676 -5.664 -6.825 620 HG11 VAL 80 1HG1 VAL 80 0.529 -4.979 -3.884 621 HG12 VAL 80 2HG1 VAL 80 1.734 -4.299 -4.984 622 HG13 VAL 80 3HG1 VAL 80 1.670 -6.050 -4.694 623 HG21 VAL 80 3HG2 VAL 80 -1.335 -6.835 -6.471 624 HG22 VAL 80 1HG2 VAL 80 -1.706 -5.936 -5.001 625 HG23 VAL 80 2HG2 VAL 80 -0.446 -7.169 -4.990 626 H SER 81 H SER 81 0.305 -1.825 -5.345 627 HA SER 81 HA SER 81 1.144 -0.543 -7.715 628 HB2 SER 81 2HB SER 81 1.984 1.176 -6.294 629 HB3 SER 81 1HB SER 81 0.525 0.601 -5.533 630 HG SER 81 HG SER 81 3.234 0.015 -4.900 631 H GLU 82 H GLU 82 3.131 0.009 -8.493 632 HA GLU 82 HA GLU 82 5.317 -1.828 -8.161 633 HB2 GLU 82 2HB GLU 82 5.628 1.000 -9.135 634 HB3 GLU 82 1HB GLU 82 6.425 -0.445 -9.713 635 HG2 GLU 82 2HG GLU 82 4.919 -0.324 -11.429 636 HG3 GLU 82 1HG GLU 82 3.868 -1.108 -10.285 637 HA PRO 83 HA PRO 83 7.112 -0.334 -4.493 638 HB2 PRO 83 2HB PRO 83 9.539 0.682 -5.791 639 HB3 PRO 83 1HB PRO 83 9.357 -0.630 -4.626 640 HG2 PRO 83 2HG PRO 83 9.620 -0.844 -7.496 641 HG3 PRO 83 1HG PRO 83 9.526 -2.148 -6.302 642 HD2 PRO 83 2HD PRO 83 7.591 -1.592 -8.193 643 HD3 PRO 83 1HD PRO 83 7.276 -2.469 -6.674 644 H VAL 84 H VAL 84 6.516 1.547 -3.538 645 HA VAL 84 HA VAL 84 6.495 4.053 -5.079 646 HB VAL 84 HB VAL 84 5.393 3.550 -2.321 647 HG11 VAL 84 1HG1 VAL 84 4.140 5.512 -2.614 648 HG12 VAL 84 2HG1 VAL 84 4.418 5.541 -4.362 649 HG13 VAL 84 3HG1 VAL 84 5.738 5.919 -3.247 650 HG21 VAL 84 3HG2 VAL 84 3.502 3.592 -4.631 651 HG22 VAL 84 1HG2 VAL 84 3.457 2.658 -3.146 652 HG23 VAL 84 2HG2 VAL 84 4.476 2.124 -4.460 653 H LYS 85 H LYS 85 8.228 5.324 -4.850 654 HA LYS 85 HA LYS 85 10.070 4.972 -2.675 655 HB2 LYS 85 2HB LYS 85 10.011 6.592 -5.169 656 HB3 LYS 85 1HB LYS 85 10.979 7.215 -3.840 657 HG2 LYS 85 2HG LYS 85 11.212 4.415 -4.975 658 HG3 LYS 85 1HG LYS 85 12.273 5.757 -5.383 659 HD2 LYS 85 2HD LYS 85 12.492 5.924 -2.687 660 HD3 LYS 85 1HD LYS 85 12.094 4.222 -2.824 661 HE2 LYS 85 2HE LYS 85 14.420 4.224 -2.941 662 HE3 LYS 85 1HE LYS 85 13.947 4.118 -4.636 663 HZ1 LYS 85 3HZ LYS 85 14.830 6.128 -5.044 664 HZ2 LYS 85 1HZ LYS 85 15.612 5.962 -3.575 665 HZ3 LYS 85 2HZ LYS 85 14.167 6.829 -3.659 666 H SER 86 H SER 86 10.300 6.162 -0.906 667 HA SER 86 HA SER 86 9.162 8.777 -0.706 668 HB2 SER 86 2HB SER 86 7.623 8.343 1.007 669 HB3 SER 86 1HB SER 86 7.384 6.956 -0.016 670 HG SER 86 HG SER 86 8.134 5.720 1.486 671 H GLU 87 H GLU 87 9.897 9.686 1.478 672 HA GLU 87 HA GLU 87 12.635 9.248 1.797 673 HB2 GLU 87 2HB GLU 87 12.435 10.584 3.847 674 HB3 GLU 87 1HB GLU 87 11.517 11.308 2.534 675 HG2 GLU 87 2HG GLU 87 9.448 10.235 3.413 676 HG3 GLU 87 1HG GLU 87 10.369 9.580 4.760 677 H PHE 88 H PHE 88 9.829 7.759 3.185 678 HA PHE 88 HA PHE 88 10.996 6.332 5.332 679 HB2 PHE 88 2HB PHE 88 8.548 5.792 3.640 680 HB3 PHE 88 1HB PHE 88 8.969 4.823 5.002 681 HD1 PHE 88 2HD PHE 88 9.446 6.145 7.262 682 HD2 PHE 88 1HD PHE 88 7.216 7.698 3.937 683 HE1 PHE 88 2HE PHE 88 8.362 7.788 8.753 684 HE2 PHE 88 1HE PHE 88 6.118 9.340 5.444 685 HZ PHE 88 HZ PHE 88 6.693 9.381 7.852 686 H GLY 89 H GLY 89 10.454 5.555 1.920 687 HA2 GLY 89 2HA GLY 89 12.530 4.084 1.183 688 HA3 GLY 89 1HA GLY 89 11.719 2.933 2.239 689 H TYR 90 H TYR 90 10.814 1.459 0.932 690 HA TYR 90 HA TYR 90 9.407 2.373 -1.486 691 HB2 TYR 90 2HB TYR 90 10.519 -0.297 -0.650 692 HB3 TYR 90 1HB TYR 90 9.524 -0.108 -2.056 693 HD1 TYR 90 2HD TYR 90 10.323 1.557 -3.885 694 HD2 TYR 90 1HD TYR 90 12.816 0.151 -0.691 695 HE1 TYR 90 2HE TYR 90 12.330 2.203 -5.170 696 HE2 TYR 90 1HE TYR 90 14.824 0.772 -1.966 697 HH TYR 90 HH TYR 90 15.505 2.178 -3.746 698 H HIS 91 H HIS 91 7.212 2.265 -1.454 699 HA HIS 91 HA HIS 91 5.943 0.465 0.535 700 HB2 HIS 91 2HB HIS 91 4.416 2.669 -0.884 701 HB3 HIS 91 1HB HIS 91 3.967 1.714 0.494 702 HD1 HIS 91 1HD HIS 91 3.996 3.033 2.560 703 HD2 HIS 91 2HD HIS 91 7.108 4.133 -0.001 704 HE1 HIS 91 1HE HIS 91 5.300 4.874 3.750 705 H VAL 92 H VAL 92 4.560 -1.050 -0.151 706 HA VAL 92 HA VAL 92 3.993 -1.214 -3.045 707 HB VAL 92 HB VAL 92 3.852 -3.572 -1.170 708 HG11 VAL 92 1HG1 VAL 92 3.352 -4.663 -3.058 709 HG12 VAL 92 2HG1 VAL 92 4.826 -4.096 -3.827 710 HG13 VAL 92 3HG1 VAL 92 3.356 -3.135 -3.942 711 HG21 VAL 92 3HG2 VAL 92 6.093 -3.208 -0.790 712 HG22 VAL 92 1HG2 VAL 92 6.290 -2.220 -2.237 713 HG23 VAL 92 2HG2 VAL 92 6.242 -3.963 -2.384 714 H ILE 93 H ILE 93 1.963 -0.562 -3.374 715 HA ILE 93 HA ILE 93 0.084 -0.754 -1.122 716 HB ILE 93 HB ILE 93 0.134 1.087 -3.514 717 HG12 ILE 93 2HG1 ILE 93 0.659 1.676 -0.588 718 HG13 ILE 93 1HG1 ILE 93 1.951 1.420 -1.764 719 HG21 ILE 93 1HG2 ILE 93 -2.134 0.957 -2.902 720 HG22 ILE 93 2HG2 ILE 93 -1.552 2.330 -1.974 721 HG23 ILE 93 3HG2 ILE 93 -1.770 0.773 -1.187 722 HD11 ILE 93 3HD1 ILE 93 1.742 3.732 -1.832 723 HD12 ILE 93 1HD1 ILE 93 -0.007 3.682 -1.582 724 HD13 ILE 93 2HD1 ILE 93 0.663 3.239 -3.146 725 H LYS 94 H LYS 94 -1.604 -2.044 -1.297 726 HA LYS 94 HA LYS 94 -2.563 -2.739 -4.000 727 HB2 LYS 94 2HB LYS 94 -1.730 -4.746 -2.756 728 HB3 LYS 94 1HB LYS 94 -2.939 -4.433 -1.514 729 HG2 LYS 94 2HG LYS 94 -4.752 -4.636 -3.174 730 HG3 LYS 94 1HG LYS 94 -3.576 -4.895 -4.460 731 HD2 LYS 94 2HD LYS 94 -2.779 -6.938 -3.296 732 HD3 LYS 94 1HD LYS 94 -3.993 -6.652 -2.048 733 HE2 LYS 94 2HE LYS 94 -4.821 -8.310 -3.674 734 HE3 LYS 94 1HE LYS 94 -5.814 -6.864 -3.703 735 HZ1 LYS 94 3HZ LYS 94 -5.107 -7.818 -5.897 736 HZ2 LYS 94 1HZ LYS 94 -3.560 -7.258 -5.631 737 HZ3 LYS 94 2HZ LYS 94 -4.902 -6.191 -5.748 738 H ARG 95 H ARG 95 -4.656 -2.412 -4.393 739 HA ARG 95 HA ARG 95 -5.943 -0.586 -2.571 740 HB2 ARG 95 2HB ARG 95 -5.997 -0.681 -5.227 741 HB3 ARG 95 1HB ARG 95 -7.504 -1.550 -4.917 742 HG2 ARG 95 2HG ARG 95 -7.002 0.947 -3.349 743 HG3 ARG 95 1HG ARG 95 -7.448 1.155 -5.035 744 HD2 ARG 95 2HD ARG 95 -9.015 -0.447 -2.978 745 HD3 ARG 95 1HD ARG 95 -9.388 1.170 -3.517 746 HE ARG 95 HE ARG 95 -9.307 -0.308 -5.844 747 HH11 ARG 95 1HH2 ARG 95 -10.965 -0.613 -2.761 748 HH12 ARG 95 2HH2 ARG 95 -12.373 -1.264 -3.478 749 HH21 ARG 95 1HH1 ARG 95 -11.148 -1.144 -6.733 750 HH22 ARG 95 2HH1 ARG 95 -12.502 -1.594 -5.776 751 H LEU 96 H LEU 96 -7.773 -0.853 -1.434 752 HA LEU 96 HA LEU 96 -8.501 -3.639 -0.901 753 HB2 LEU 96 2HB LEU 96 -7.419 -2.530 0.963 754 HB3 LEU 96 1HB LEU 96 -8.523 -1.159 0.811 755 HG LEU 96 HG LEU 96 -10.428 -2.667 1.345 756 HD11 LEU 96 1HD1 LEU 96 -8.197 -4.703 1.668 757 HD12 LEU 96 2HD1 LEU 96 -9.606 -4.825 0.606 758 HD13 LEU 96 3HD1 LEU 96 -9.803 -4.889 2.349 759 HD21 LEU 96 3HD2 LEU 96 -8.758 -1.463 3.072 760 HD22 LEU 96 1HD2 LEU 96 -8.445 -3.135 3.528 761 HD23 LEU 96 2HD2 LEU 96 -10.079 -2.492 3.624 762 H GLY 97 H GLY 97 -10.545 -4.233 -1.094 763 HA2 GLY 97 2HA GLY 97 -12.582 -2.170 -1.730 764 HA3 GLY 97 1HA GLY 97 -12.542 -3.748 -2.490 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -23.466 -0.147 -4.869 2 HA2 GLY 1 2HA GLY 1 -21.054 -0.897 -3.487 3 HA3 GLY 1 1HA GLY 1 -20.993 0.689 -4.265 4 HA PRO 2 HA PRO 2 -23.473 0.570 -0.125 5 HB2 PRO 2 2HB PRO 2 -21.652 1.512 1.622 6 HB3 PRO 2 1HB PRO 2 -21.818 -0.214 1.257 7 HG2 PRO 2 2HG PRO 2 -19.803 1.727 0.219 8 HG3 PRO 2 1HG PRO 2 -19.585 0.056 0.756 9 HD2 PRO 2 2HD PRO 2 -19.774 0.729 -1.891 10 HD3 PRO 2 1HD PRO 2 -20.288 -0.854 -1.252 11 H MET 3 H MET 3 -24.434 2.502 0.615 12 HA MET 3 HA MET 3 -23.423 4.997 -0.593 13 HB2 MET 3 2HB MET 3 -26.220 4.224 0.237 14 HB3 MET 3 1HB MET 3 -25.753 5.845 -0.271 15 HG2 MET 3 2HG MET 3 -24.930 4.887 -2.438 16 HG3 MET 3 1HG MET 3 -25.534 3.314 -1.951 17 HE1 MET 3 3HE MET 3 -29.091 3.986 -1.068 18 HE2 MET 3 1HE MET 3 -27.614 3.026 -0.874 19 HE3 MET 3 2HE MET 3 -28.625 2.820 -2.296 20 H GLY 4 H GLY 4 -23.471 6.895 0.610 21 HA2 GLY 4 2HA GLY 4 -23.522 8.098 2.647 22 HA3 GLY 4 1HA GLY 4 -23.498 6.573 3.544 23 H SER 5 H SER 5 -21.527 5.341 1.830 24 HA SER 5 HA SER 5 -19.086 6.421 2.932 25 HB2 SER 5 2HB SER 5 -19.228 4.418 0.667 26 HB3 SER 5 1HB SER 5 -18.009 4.610 1.900 27 HG SER 5 HG SER 5 -19.489 2.832 2.163 28 H MET 6 H MET 6 -17.705 7.798 1.856 29 HA MET 6 HA MET 6 -18.452 8.604 -0.905 30 HB2 MET 6 2HB MET 6 -17.121 10.248 1.267 31 HB3 MET 6 1HB MET 6 -17.465 10.789 -0.366 32 HG2 MET 6 2HG MET 6 -19.898 10.393 0.018 33 HG3 MET 6 1HG MET 6 -19.556 9.952 1.676 34 HE1 MET 6 3HE MET 6 -18.305 13.040 3.398 35 HE2 MET 6 1HE MET 6 -17.252 11.851 2.630 36 HE3 MET 6 2HE MET 6 -18.699 11.331 3.476 37 H ALA 7 H ALA 7 -16.841 8.507 -2.386 38 HA ALA 7 HA ALA 7 -14.434 7.114 -1.707 39 HB1 ALA 7 1HB ALA 7 -15.417 6.846 -3.917 40 HB2 ALA 7 2HB ALA 7 -13.774 7.453 -4.041 41 HB3 ALA 7 3HB ALA 7 -15.136 8.552 -4.280 42 H ASP 8 H ASP 8 -14.830 9.553 -0.250 43 HA ASP 8 HA ASP 8 -13.083 11.643 -1.053 44 HB2 ASP 8 2HB ASP 8 -14.670 11.974 0.776 45 HB3 ASP 8 1HB ASP 8 -13.920 10.662 1.682 46 H LYS 9 H LYS 9 -12.722 8.771 0.912 47 HA LYS 9 HA LYS 9 -9.800 9.084 0.884 48 HB2 LYS 9 2HB LYS 9 -11.594 7.571 2.769 49 HB3 LYS 9 1HB LYS 9 -9.828 7.694 2.902 50 HG2 LYS 9 2HG LYS 9 -10.045 10.175 3.018 51 HG3 LYS 9 1HG LYS 9 -11.800 9.979 2.963 52 HD2 LYS 9 2HD LYS 9 -11.634 8.604 5.074 53 HD3 LYS 9 1HD LYS 9 -9.927 9.063 5.163 54 HE2 LYS 9 2HE LYS 9 -12.364 10.772 5.518 55 HE3 LYS 9 1HE LYS 9 -10.878 10.762 6.457 56 HZ1 LYS 9 3HZ LYS 9 -11.391 12.055 3.827 57 HZ2 LYS 9 1HZ LYS 9 -9.812 11.674 4.279 58 HZ3 LYS 9 2HZ LYS 9 -10.697 12.688 5.226 59 H ILE 10 H ILE 10 -8.604 7.054 0.862 60 HA ILE 10 HA ILE 10 -9.766 5.270 -1.191 61 HB ILE 10 HB ILE 10 -6.868 5.647 -0.425 62 HG12 ILE 10 2HG1 ILE 10 -7.839 7.691 -1.439 63 HG13 ILE 10 1HG1 ILE 10 -6.637 6.948 -2.481 64 HG21 ILE 10 1HG2 ILE 10 -8.315 3.904 -2.356 65 HG22 ILE 10 2HG2 ILE 10 -6.803 3.632 -1.501 66 HG23 ILE 10 3HG2 ILE 10 -6.831 4.654 -2.932 67 HD11 ILE 10 3HD1 ILE 10 -9.305 7.542 -3.194 68 HD12 ILE 10 1HD1 ILE 10 -9.224 5.780 -3.057 69 HD13 ILE 10 2HD1 ILE 10 -8.109 6.625 -4.109 70 H LYS 11 H LYS 11 -10.143 3.244 -0.697 71 HA LYS 11 HA LYS 11 -9.414 2.241 1.950 72 HB2 LYS 11 2HB LYS 11 -11.024 1.015 -0.289 73 HB3 LYS 11 1HB LYS 11 -10.809 0.336 1.324 74 HG2 LYS 11 2HG LYS 11 -11.908 2.251 2.329 75 HG3 LYS 11 1HG LYS 11 -12.027 3.046 0.759 76 HD2 LYS 11 2HD LYS 11 -14.157 2.096 0.992 77 HD3 LYS 11 1HD LYS 11 -13.296 0.943 -0.006 78 HE2 LYS 11 2HE LYS 11 -13.116 -0.668 1.648 79 HE3 LYS 11 1HE LYS 11 -13.084 0.512 2.950 80 HZ1 LYS 11 3HZ LYS 11 -15.546 0.006 1.346 81 HZ2 LYS 11 1HZ LYS 11 -15.357 0.823 2.819 82 HZ3 LYS 11 2HZ LYS 11 -15.141 -0.846 2.769 83 H CYS 12 H CYS 12 -7.254 1.638 1.879 84 HA CYS 12 HA CYS 12 -6.537 -0.404 -0.118 85 HB2 CYS 12 2HB CYS 12 -5.150 0.825 -1.292 86 HB3 CYS 12 1HB CYS 12 -5.743 2.261 -0.476 87 HG CYS 12 HG CYS 12 -3.081 1.949 -0.153 88 H SER 13 H SER 13 -4.363 -1.229 0.181 89 HA SER 13 HA SER 13 -3.671 -1.385 2.989 90 HB2 SER 13 2HB SER 13 -3.498 -3.740 1.111 91 HB3 SER 13 1HB SER 13 -3.343 -3.751 2.855 92 HG SER 13 HG SER 13 -5.613 -3.495 1.216 93 H HIS 14 H HIS 14 -1.411 -1.251 3.293 94 HA HIS 14 HA HIS 14 0.205 -1.360 0.850 95 HB2 HIS 14 2HB HIS 14 1.022 0.710 0.935 96 HB3 HIS 14 1HB HIS 14 -0.489 1.067 1.766 97 HD2 HIS 14 2HD HIS 14 0.266 0.259 4.850 98 HE1 HIS 14 1HE HIS 14 3.758 2.585 4.344 99 HE2 HIS 14 2HE HIS 14 2.228 1.535 6.048 100 H ILE 15 H ILE 15 2.317 -1.803 1.030 101 HA ILE 15 HA ILE 15 3.227 -2.890 3.623 102 HB ILE 15 HB ILE 15 3.698 -3.971 0.824 103 HG12 ILE 15 2HG1 ILE 15 2.223 -5.232 3.158 104 HG13 ILE 15 1HG1 ILE 15 1.412 -4.366 1.878 105 HG21 ILE 15 1HG2 ILE 15 5.196 -4.331 3.295 106 HG22 ILE 15 2HG2 ILE 15 5.495 -5.013 1.689 107 HG23 ILE 15 3HG2 ILE 15 4.427 -5.842 2.802 108 HD11 ILE 15 3HD1 ILE 15 3.330 -6.510 1.046 109 HD12 ILE 15 1HD1 ILE 15 1.812 -5.975 0.315 110 HD13 ILE 15 2HD1 ILE 15 1.771 -6.989 1.747 111 H LEU 16 H LEU 16 4.998 -1.875 4.301 112 HA LEU 16 HA LEU 16 6.483 -0.189 2.388 113 HB2 LEU 16 2HB LEU 16 5.444 0.876 4.422 114 HB3 LEU 16 1HB LEU 16 6.495 -0.111 5.415 115 HG LEU 16 HG LEU 16 8.511 0.918 4.328 116 HD11 LEU 16 1HD1 LEU 16 8.258 1.841 2.332 117 HD12 LEU 16 2HD1 LEU 16 7.501 3.203 3.127 118 HD13 LEU 16 3HD1 LEU 16 6.504 1.910 2.466 119 HD21 LEU 16 3HD2 LEU 16 8.416 2.939 5.525 120 HD22 LEU 16 1HD2 LEU 16 7.235 1.954 6.381 121 HD23 LEU 16 2HD2 LEU 16 6.697 3.160 5.219 122 H VAL 17 H VAL 17 8.421 -0.857 1.766 123 HA VAL 17 HA VAL 17 9.940 -2.703 3.502 124 HB VAL 17 HB VAL 17 10.434 -4.129 1.706 125 HG11 VAL 17 1HG1 VAL 17 8.042 -4.200 2.663 126 HG12 VAL 17 2HG1 VAL 17 8.262 -4.967 1.087 127 HG13 VAL 17 3HG1 VAL 17 7.539 -3.372 1.191 128 HG21 VAL 17 3HG2 VAL 17 9.126 -2.038 -0.090 129 HG22 VAL 17 1HG2 VAL 17 9.636 -3.636 -0.630 130 HG23 VAL 17 2HG2 VAL 17 10.839 -2.496 -0.072 131 H LYS 18 H LYS 18 12.125 -2.745 3.205 132 HA LYS 18 HA LYS 18 13.332 -0.196 2.714 133 HB2 LYS 18 2HB LYS 18 14.562 -2.903 3.272 134 HB3 LYS 18 1HB LYS 18 15.475 -1.419 3.159 135 HG2 LYS 18 2HG LYS 18 13.153 -1.723 5.080 136 HG3 LYS 18 1HG LYS 18 14.815 -2.114 5.519 137 HD2 LYS 18 2HD LYS 18 15.516 0.222 4.943 138 HD3 LYS 18 1HD LYS 18 13.856 0.614 4.542 139 HE2 LYS 18 2HE LYS 18 14.371 1.357 6.797 140 HE3 LYS 18 1HE LYS 18 13.152 0.086 6.856 141 HZ1 LYS 18 3HZ LYS 18 14.511 -1.041 8.179 142 HZ2 LYS 18 1HZ LYS 18 15.678 0.152 8.066 143 HZ3 LYS 18 2HZ LYS 18 15.704 -1.127 6.978 144 H LYS 19 H LYS 19 13.237 -3.234 0.951 145 HA LYS 19 HA LYS 19 14.972 -2.043 -1.113 146 HB2 LYS 19 2HB LYS 19 14.457 -4.859 -0.225 147 HB3 LYS 19 1HB LYS 19 15.168 -4.524 -1.793 148 HG2 LYS 19 2HG LYS 19 17.127 -4.552 -0.636 149 HG3 LYS 19 1HG LYS 19 16.730 -2.881 -0.313 150 HD2 LYS 19 2HD LYS 19 16.826 -3.371 1.873 151 HD3 LYS 19 1HD LYS 19 15.358 -4.306 1.716 152 HE2 LYS 19 2HE LYS 19 18.134 -5.423 1.189 153 HE3 LYS 19 1HE LYS 19 17.292 -5.582 2.717 154 HZ1 LYS 19 3HZ LYS 19 15.465 -6.707 1.565 155 HZ2 LYS 19 1HZ LYS 19 16.922 -7.529 1.336 156 HZ3 LYS 19 2HZ LYS 19 16.305 -6.584 0.090 157 H GLN 20 H GLN 20 14.572 -2.084 -3.214 158 HA GLN 20 HA GLN 20 11.894 -1.968 -4.165 159 HB2 GLN 20 2HB GLN 20 14.541 -2.220 -5.621 160 HB3 GLN 20 1HB GLN 20 12.982 -1.966 -6.418 161 HG2 GLN 20 2HG GLN 20 12.667 0.127 -5.175 162 HG3 GLN 20 1HG GLN 20 14.184 -0.130 -4.314 163 HE21 GLN 20 1HE2 GLN 20 14.799 -1.281 -7.381 164 HE22 GLN 20 2HE2 GLN 20 15.405 0.132 -8.071 165 H GLY 21 H GLY 21 14.417 -4.422 -4.197 166 HA2 GLY 21 2HA GLY 21 13.095 -6.319 -5.825 167 HA3 GLY 21 1HA GLY 21 14.333 -6.717 -4.620 168 H GLU 22 H GLU 22 12.934 -5.653 -2.393 169 HA GLU 22 HA GLU 22 11.261 -7.833 -1.668 170 HB2 GLU 22 2HB GLU 22 11.680 -5.089 -0.432 171 HB3 GLU 22 1HB GLU 22 10.750 -6.393 0.272 172 HG2 GLU 22 2HG GLU 22 12.636 -7.849 0.398 173 HG3 GLU 22 1HG GLU 22 13.644 -6.770 -0.529 174 H ALA 23 H ALA 23 10.676 -4.487 -2.626 175 HA ALA 23 HA ALA 23 7.865 -4.501 -2.383 176 HB1 ALA 23 1HB ALA 23 9.483 -2.902 -4.384 177 HB2 ALA 23 2HB ALA 23 9.263 -2.443 -2.698 178 HB3 ALA 23 3HB ALA 23 7.872 -2.531 -3.777 179 H LEU 24 H LEU 24 9.949 -5.146 -5.193 180 HA LEU 24 HA LEU 24 7.798 -5.776 -6.921 181 HB2 LEU 24 2HB LEU 24 10.721 -6.495 -7.077 182 HB3 LEU 24 1HB LEU 24 9.552 -6.910 -8.321 183 HG LEU 24 HG LEU 24 10.006 -4.067 -7.346 184 HD11 LEU 24 1HD1 LEU 24 11.963 -5.096 -8.556 185 HD12 LEU 24 2HD1 LEU 24 11.240 -3.692 -9.349 186 HD13 LEU 24 3HD1 LEU 24 10.864 -5.332 -9.922 187 HD21 LEU 24 3HD2 LEU 24 7.777 -4.265 -8.296 188 HD22 LEU 24 1HD2 LEU 24 8.356 -5.317 -9.582 189 HD23 LEU 24 2HD2 LEU 24 8.785 -3.623 -9.576 190 H ALA 25 H ALA 25 9.807 -7.719 -4.769 191 HA ALA 25 HA ALA 25 8.988 -10.251 -5.591 192 HB1 ALA 25 1HB ALA 25 9.872 -9.194 -2.904 193 HB2 ALA 25 2HB ALA 25 10.782 -10.179 -4.036 194 HB3 ALA 25 3HB ALA 25 9.459 -10.884 -3.129 195 H VAL 26 H VAL 26 7.530 -8.149 -3.121 196 HA VAL 26 HA VAL 26 5.354 -9.935 -2.675 197 HB VAL 26 HB VAL 26 4.234 -8.099 -1.510 198 HG11 VAL 26 1HG1 VAL 26 6.434 -9.337 -0.659 199 HG12 VAL 26 2HG1 VAL 26 5.699 -8.022 0.267 200 HG13 VAL 26 3HG1 VAL 26 7.095 -7.705 -0.761 201 HG21 VAL 26 3HG2 VAL 26 5.012 -6.303 -3.204 202 HG22 VAL 26 1HG2 VAL 26 6.549 -6.338 -2.333 203 HG23 VAL 26 2HG2 VAL 26 5.075 -5.866 -1.500 204 H GLN 27 H GLN 27 5.925 -7.279 -4.864 205 HA GLN 27 HA GLN 27 3.368 -6.957 -5.944 206 HB2 GLN 27 2HB GLN 27 6.052 -6.253 -6.593 207 HB3 GLN 27 1HB GLN 27 5.264 -6.709 -8.090 208 HG2 GLN 27 2HG GLN 27 4.041 -4.790 -6.081 209 HG3 GLN 27 1HG GLN 27 5.096 -4.262 -7.363 210 HE21 GLN 27 1HE2 GLN 27 2.700 -3.215 -7.597 211 HE22 GLN 27 2HE2 GLN 27 1.734 -3.970 -8.770 212 H GLU 28 H GLU 28 5.936 -9.185 -6.910 213 HA GLU 28 HA GLU 28 4.366 -10.544 -8.901 214 HB2 GLU 28 2HB GLU 28 6.888 -11.346 -7.429 215 HB3 GLU 28 1HB GLU 28 6.162 -12.287 -8.725 216 HG2 GLU 28 2HG GLU 28 6.395 -10.384 -10.271 217 HG3 GLU 28 1HG GLU 28 7.052 -9.399 -8.976 218 H ARG 29 H ARG 29 5.234 -11.180 -5.562 219 HA ARG 29 HA ARG 29 4.168 -13.742 -5.373 220 HB2 ARG 29 2HB ARG 29 5.772 -12.739 -3.767 221 HB3 ARG 29 1HB ARG 29 4.466 -11.727 -3.154 222 HG2 ARG 29 2HG ARG 29 3.205 -13.640 -2.400 223 HG3 ARG 29 1HG ARG 29 4.327 -14.754 -3.185 224 HD2 ARG 29 2HD ARG 29 6.153 -13.894 -1.751 225 HD3 ARG 29 1HD ARG 29 4.989 -12.902 -0.866 226 HE ARG 29 HE ARG 29 3.981 -15.477 -0.760 227 HH11 ARG 29 1HH2 ARG 29 7.022 -13.931 0.090 228 HH12 ARG 29 2HH2 ARG 29 7.361 -15.076 1.320 229 HH21 ARG 29 1HH1 ARG 29 4.433 -16.896 0.796 230 HH22 ARG 29 2HH1 ARG 29 5.861 -16.834 1.759 231 H LEU 30 H LEU 30 2.642 -10.624 -4.833 232 HA LEU 30 HA LEU 30 0.196 -11.629 -3.820 233 HB2 LEU 30 2HB LEU 30 1.101 -9.064 -5.008 234 HB3 LEU 30 1HB LEU 30 -0.623 -9.368 -5.035 235 HG LEU 30 HG LEU 30 0.368 -8.142 -2.974 236 HD11 LEU 30 1HD1 LEU 30 -1.567 -10.396 -3.064 237 HD12 LEU 30 2HD1 LEU 30 -1.836 -8.713 -2.610 238 HD13 LEU 30 3HD1 LEU 30 -1.110 -9.835 -1.467 239 HD21 LEU 30 3HD2 LEU 30 1.492 -9.348 -1.337 240 HD22 LEU 30 1HD2 LEU 30 2.190 -10.073 -2.775 241 HD23 LEU 30 2HD2 LEU 30 0.907 -10.911 -1.893 242 H LYS 31 H LYS 31 1.468 -11.274 -7.035 243 HA LYS 31 HA LYS 31 -0.959 -11.794 -8.448 244 HB2 LYS 31 2HB LYS 31 1.799 -12.667 -9.366 245 HB3 LYS 31 1HB LYS 31 0.404 -12.282 -10.350 246 HG2 LYS 31 2HG LYS 31 2.087 -10.383 -8.713 247 HG3 LYS 31 1HG LYS 31 1.906 -10.427 -10.456 248 HD2 LYS 31 2HD LYS 31 -0.631 -9.997 -10.028 249 HD3 LYS 31 1HD LYS 31 -0.156 -9.517 -8.420 250 HE2 LYS 31 2HE LYS 31 0.566 -8.195 -11.025 251 HE3 LYS 31 1HE LYS 31 -0.071 -7.468 -9.549 252 HZ1 LYS 31 3HZ LYS 31 2.215 -8.407 -8.591 253 HZ2 LYS 31 1HZ LYS 31 2.158 -6.918 -9.367 254 HZ3 LYS 31 2HZ LYS 31 2.670 -8.245 -10.210 255 H ALA 32 H ALA 32 1.462 -13.768 -6.846 256 HA ALA 32 HA ALA 32 0.654 -16.295 -7.791 257 HB1 ALA 32 1HB ALA 32 2.743 -15.644 -6.361 258 HB2 ALA 32 2HB ALA 32 1.985 -17.210 -6.109 259 HB3 ALA 32 3HB ALA 32 1.676 -15.902 -4.979 260 H GLY 33 H GLY 33 -0.709 -14.029 -5.604 261 HA2 GLY 33 2HA GLY 33 -2.981 -14.050 -5.041 262 HA3 GLY 33 1HA GLY 33 -2.993 -15.805 -5.143 263 H GLU 34 H GLU 34 -0.227 -14.949 -3.489 264 HA GLU 34 HA GLU 34 -1.288 -15.957 -1.067 265 HB2 GLU 34 2HB GLU 34 1.376 -14.471 -1.311 266 HB3 GLU 34 1HB GLU 34 0.832 -15.531 -0.047 267 HG2 GLU 34 2HG GLU 34 0.517 -17.377 -1.721 268 HG3 GLU 34 1HG GLU 34 1.297 -16.329 -2.902 269 H LYS 35 H LYS 35 -1.397 -14.914 0.976 270 HA LYS 35 HA LYS 35 -3.166 -12.808 0.824 271 HB2 LYS 35 2HB LYS 35 -2.643 -14.546 2.730 272 HB3 LYS 35 1HB LYS 35 -1.649 -13.232 3.357 273 HG2 LYS 35 2HG LYS 35 -3.543 -11.741 3.404 274 HG3 LYS 35 1HG LYS 35 -4.579 -12.949 2.621 275 HD2 LYS 35 2HD LYS 35 -4.178 -14.471 4.571 276 HD3 LYS 35 1HD LYS 35 -3.296 -13.193 5.375 277 HE2 LYS 35 2HE LYS 35 -6.224 -13.177 4.586 278 HE3 LYS 35 1HE LYS 35 -5.541 -13.110 6.199 279 HZ1 LYS 35 3HZ LYS 35 -4.720 -10.965 5.856 280 HZ2 LYS 35 1HZ LYS 35 -6.298 -10.937 5.307 281 HZ3 LYS 35 2HZ LYS 35 -5.080 -10.953 4.172 282 H PHE 36 H PHE 36 -2.933 -10.690 0.655 283 HA PHE 36 HA PHE 36 -0.483 -9.281 0.425 284 HB2 PHE 36 2HB PHE 36 -2.734 -8.501 -0.451 285 HB3 PHE 36 1HB PHE 36 -3.213 -8.178 1.206 286 HD1 PHE 36 1HD PHE 36 -0.948 -7.178 -1.533 287 HD2 PHE 36 2HD PHE 36 -2.285 -6.297 2.455 288 HE1 PHE 36 1HE PHE 36 0.158 -4.965 -1.649 289 HE2 PHE 36 2HE PHE 36 -1.174 -4.095 2.332 290 HZ PHE 36 HZ PHE 36 0.035 -3.421 0.286 291 H GLY 37 H GLY 37 -2.814 -9.715 3.018 292 HA2 GLY 37 2HA GLY 37 -1.528 -8.162 4.951 293 HA3 GLY 37 1HA GLY 37 -2.655 -9.490 5.284 294 H LYS 38 H LYS 38 -1.095 -11.566 4.040 295 HA LYS 38 HA LYS 38 0.614 -12.239 6.201 296 HB2 LYS 38 2HB LYS 38 -0.336 -13.963 4.673 297 HB3 LYS 38 1HB LYS 38 0.753 -13.415 3.390 298 HG2 LYS 38 2HG LYS 38 2.067 -13.993 6.008 299 HG3 LYS 38 1HG LYS 38 1.343 -15.364 5.193 300 HD2 LYS 38 2HD LYS 38 2.699 -15.225 3.337 301 HD3 LYS 38 1HD LYS 38 3.095 -13.518 3.582 302 HE2 LYS 38 2HE LYS 38 4.081 -15.895 5.176 303 HE3 LYS 38 1HE LYS 38 5.038 -14.811 4.179 304 HZ1 LYS 38 3HZ LYS 38 3.857 -13.061 5.939 305 HZ2 LYS 38 1HZ LYS 38 5.401 -13.717 6.149 306 HZ3 LYS 38 2HZ LYS 38 4.103 -14.432 6.888 307 H LEU 39 H LEU 39 1.194 -10.915 2.994 308 HA LEU 39 HA LEU 39 4.020 -10.716 3.254 309 HB2 LEU 39 2HB LEU 39 2.003 -9.385 1.450 310 HB3 LEU 39 1HB LEU 39 3.648 -8.791 1.513 311 HG LEU 39 HG LEU 39 3.439 -10.399 -0.295 312 HD11 LEU 39 1HD1 LEU 39 5.416 -10.449 1.668 313 HD12 LEU 39 2HD1 LEU 39 5.503 -11.191 0.090 314 HD13 LEU 39 3HD1 LEU 39 4.995 -12.153 1.470 315 HD21 LEU 39 3HD2 LEU 39 3.016 -12.842 0.302 316 HD22 LEU 39 1HD2 LEU 39 1.615 -11.799 0.430 317 HD23 LEU 39 2HD2 LEU 39 2.479 -12.315 1.874 318 H ALA 40 H ALA 40 1.336 -8.567 4.047 319 HA ALA 40 HA ALA 40 2.876 -6.348 4.721 320 HB1 ALA 40 1HB ALA 40 0.325 -7.118 6.093 321 HB2 ALA 40 2HB ALA 40 0.357 -6.420 4.462 322 HB3 ALA 40 3HB ALA 40 0.977 -5.500 5.840 323 H LYS 41 H LYS 41 1.769 -9.095 6.632 324 HA LYS 41 HA LYS 41 2.944 -8.297 9.121 325 HB2 LYS 41 2HB LYS 41 2.363 -11.074 8.049 326 HB3 LYS 41 1HB LYS 41 2.820 -10.712 9.704 327 HG2 LYS 41 2HG LYS 41 0.315 -9.696 8.313 328 HG3 LYS 41 1HG LYS 41 0.362 -10.997 9.489 329 HD2 LYS 41 2HD LYS 41 1.474 -9.213 11.056 330 HD3 LYS 41 1HD LYS 41 0.803 -8.045 9.927 331 HE2 LYS 41 2HE LYS 41 -1.384 -9.632 10.282 332 HE3 LYS 41 1HE LYS 41 -0.594 -9.872 11.813 333 HZ1 LYS 41 3HZ LYS 41 -2.049 -7.683 10.909 334 HZ2 LYS 41 1HZ LYS 41 -0.507 -7.108 11.283 335 HZ3 LYS 41 2HZ LYS 41 -1.444 -7.927 12.463 336 H GLU 42 H GLU 42 4.029 -10.032 6.298 337 HA GLU 42 HA GLU 42 6.376 -11.137 7.353 338 HB2 GLU 42 2HB GLU 42 5.222 -11.909 5.282 339 HB3 GLU 42 1HB GLU 42 5.737 -10.447 4.476 340 HG2 GLU 42 2HG GLU 42 7.315 -12.091 3.837 341 HG3 GLU 42 1HG GLU 42 8.132 -11.082 5.001 342 H LEU 43 H LEU 43 6.024 -8.473 5.031 343 HA LEU 43 HA LEU 43 8.819 -7.722 5.362 344 HB2 LEU 43 2HB LEU 43 6.652 -7.239 3.452 345 HB3 LEU 43 1HB LEU 43 7.839 -5.967 3.627 346 HG LEU 43 HG LEU 43 8.860 -8.781 3.401 347 HD11 LEU 43 1HD1 LEU 43 7.909 -7.050 1.147 348 HD12 LEU 43 2HD1 LEU 43 7.127 -8.505 1.748 349 HD13 LEU 43 3HD1 LEU 43 8.730 -8.625 0.976 350 HD21 LEU 43 3HD2 LEU 43 9.698 -5.998 2.556 351 HD22 LEU 43 1HD2 LEU 43 10.623 -7.449 2.155 352 HD23 LEU 43 2HD2 LEU 43 10.398 -6.947 3.843 353 H SER 44 H SER 44 5.797 -5.987 5.310 354 HA SER 44 HA SER 44 6.373 -3.563 5.389 355 HB2 SER 44 2HB SER 44 4.635 -4.593 7.543 356 HB3 SER 44 1HB SER 44 4.543 -2.998 6.720 357 HG SER 44 HG SER 44 3.707 -5.489 6.108 358 H ILE 45 H ILE 45 7.817 -2.262 6.239 359 HA ILE 45 HA ILE 45 8.973 -2.744 8.884 360 HB ILE 45 HB ILE 45 10.371 -0.802 8.384 361 HG12 ILE 45 2HG1 ILE 45 8.853 -0.671 5.750 362 HG13 ILE 45 1HG1 ILE 45 8.660 0.479 7.079 363 HG21 ILE 45 1HG2 ILE 45 10.584 -3.257 7.230 364 HG22 ILE 45 2HG2 ILE 45 11.765 -1.983 6.974 365 HG23 ILE 45 3HG2 ILE 45 10.492 -2.255 5.787 366 HD11 ILE 45 3HD1 ILE 45 10.189 1.412 5.462 367 HD12 ILE 45 1HD1 ILE 45 11.190 -0.040 5.514 368 HD13 ILE 45 2HD1 ILE 45 11.091 1.009 6.933 369 H ASP 46 H ASP 46 6.356 -1.287 7.490 370 HA ASP 46 HA ASP 46 5.926 0.823 9.440 371 HB2 ASP 46 2HB ASP 46 5.127 1.087 7.144 372 HB3 ASP 46 1HB ASP 46 4.129 -0.360 7.299 373 H GLY 47 H GLY 47 5.838 -0.227 11.405 374 HA2 GLY 47 2HA GLY 47 4.587 -2.686 11.952 375 HA3 GLY 47 1HA GLY 47 4.951 -1.467 13.148 376 H GLY 48 H GLY 48 3.403 0.645 12.188 377 HA2 GLY 48 2HA GLY 48 0.928 0.133 13.364 378 HA3 GLY 48 1HA GLY 48 1.250 1.485 12.265 379 H SER 49 H SER 49 1.891 0.147 9.981 380 HA SER 49 HA SER 49 -0.649 -0.693 8.982 381 HB2 SER 49 2HB SER 49 2.123 -0.682 7.768 382 HB3 SER 49 1HB SER 49 0.707 -1.247 6.927 383 HG SER 49 HG SER 49 1.456 1.321 7.669 384 H ALA 50 H ALA 50 2.203 -2.320 10.226 385 HA ALA 50 HA ALA 50 1.658 -4.908 9.194 386 HB1 ALA 50 1HB ALA 50 3.044 -4.440 11.832 387 HB2 ALA 50 2HB ALA 50 3.842 -4.059 10.303 388 HB3 ALA 50 3HB ALA 50 3.328 -5.702 10.642 389 H LYS 51 H LYS 51 0.668 -3.182 12.056 390 HA LYS 51 HA LYS 51 -0.743 -5.348 13.294 391 HB2 LYS 51 2HB LYS 51 -1.126 -2.352 13.539 392 HB3 LYS 51 1HB LYS 51 -1.950 -3.532 14.524 393 HG2 LYS 51 2HG LYS 51 1.075 -3.226 14.374 394 HG3 LYS 51 1HG LYS 51 0.047 -2.634 15.673 395 HD2 LYS 51 2HD LYS 51 -0.695 -4.989 16.156 396 HD3 LYS 51 1HD LYS 51 0.371 -5.569 14.891 397 HE2 LYS 51 2HE LYS 51 1.544 -5.826 16.966 398 HE3 LYS 51 1HE LYS 51 2.303 -4.501 16.090 399 HZ1 LYS 51 3HZ LYS 51 1.904 -4.038 18.426 400 HZ2 LYS 51 1HZ LYS 51 0.249 -4.176 18.211 401 HZ3 LYS 51 2HZ LYS 51 1.118 -2.922 17.442 402 H ARG 52 H ARG 52 -1.433 -3.205 10.698 403 HA ARG 52 HA ARG 52 -4.248 -4.061 10.562 404 HB2 ARG 52 2HB ARG 52 -2.639 -2.011 9.055 405 HB3 ARG 52 1HB ARG 52 -4.265 -2.522 8.605 406 HG2 ARG 52 2HG ARG 52 -5.139 -1.807 10.754 407 HG3 ARG 52 1HG ARG 52 -3.519 -1.376 11.302 408 HD2 ARG 52 2HD ARG 52 -3.340 0.429 9.814 409 HD3 ARG 52 1HD ARG 52 -4.613 -0.156 8.765 410 HE ARG 52 HE ARG 52 -4.915 1.382 11.201 411 HH11 ARG 52 1HH2 ARG 52 -6.386 -0.773 8.851 412 HH12 ARG 52 2HH2 ARG 52 -7.986 -0.233 9.166 413 HH21 ARG 52 1HH1 ARG 52 -7.088 2.089 11.614 414 HH22 ARG 52 2HH1 ARG 52 -8.382 1.408 10.728 415 H ASP 53 H ASP 53 -1.422 -5.378 9.703 416 HA ASP 53 HA ASP 53 -0.736 -6.870 8.071 417 HB2 ASP 53 2HB ASP 53 -3.666 -7.031 7.287 418 HB3 ASP 53 1HB ASP 53 -2.396 -8.149 6.903 419 H GLY 54 H GLY 54 -0.906 -4.024 7.633 420 HA2 GLY 54 2HA GLY 54 -0.340 -2.645 5.838 421 HA3 GLY 54 1HA GLY 54 -0.689 -3.960 4.733 422 H SER 55 H SER 55 -3.359 -4.248 6.351 423 HA SER 55 HA SER 55 -4.966 -2.867 4.481 424 HB2 SER 55 2HB SER 55 -6.053 -3.801 7.109 425 HB3 SER 55 1HB SER 55 -6.738 -3.946 5.505 426 HG SER 55 HG SER 55 -4.694 -5.343 6.787 427 H LEU 56 H LEU 56 -4.149 -0.722 4.665 428 HA LEU 56 HA LEU 56 -4.221 0.891 6.948 429 HB2 LEU 56 2HB LEU 56 -4.551 1.598 4.028 430 HB3 LEU 56 1HB LEU 56 -4.301 2.764 5.296 431 HG LEU 56 HG LEU 56 -2.374 0.488 4.695 432 HD11 LEU 56 1HD1 LEU 56 -2.294 1.931 2.840 433 HD12 LEU 56 2HD1 LEU 56 -0.934 2.414 3.853 434 HD13 LEU 56 3HD1 LEU 56 -2.408 3.376 3.833 435 HD21 LEU 56 3HD2 LEU 56 -0.872 2.059 6.053 436 HD22 LEU 56 1HD2 LEU 56 -2.060 1.151 6.971 437 HD23 LEU 56 2HD2 LEU 56 -2.347 2.853 6.596 438 H GLY 57 H GLY 57 -6.561 0.229 4.433 439 HA2 GLY 57 2HA GLY 57 -8.935 0.266 4.706 440 HA3 GLY 57 1HA GLY 57 -8.732 1.250 6.147 441 H TYR 58 H TYR 58 -9.795 3.076 5.644 442 HA TYR 58 HA TYR 58 -9.602 4.341 3.053 443 HB2 TYR 58 2HB TYR 58 -10.760 5.433 5.615 444 HB3 TYR 58 1HB TYR 58 -10.943 6.080 4.032 445 HD1 TYR 58 1HD TYR 58 -11.715 3.002 6.019 446 HD2 TYR 58 2HD TYR 58 -12.623 5.348 2.531 447 HE1 TYR 58 1HE TYR 58 -13.692 1.610 5.598 448 HE2 TYR 58 2HE TYR 58 -14.597 3.951 2.106 449 HH TYR 58 HH TYR 58 -16.021 2.083 4.302 450 H PHE 59 H PHE 59 -8.257 6.068 2.595 451 HA PHE 59 HA PHE 59 -7.324 7.749 4.758 452 HB2 PHE 59 2HB PHE 59 -4.972 7.772 3.957 453 HB3 PHE 59 1HB PHE 59 -5.448 6.238 4.681 454 HD1 PHE 59 1HD PHE 59 -4.690 7.992 1.526 455 HD2 PHE 59 2HD PHE 59 -5.770 4.265 3.350 456 HE1 PHE 59 1HE PHE 59 -4.134 6.768 -0.599 457 HE2 PHE 59 2HE PHE 59 -5.246 3.075 1.322 458 HZ PHE 59 HZ PHE 59 -4.411 4.310 -0.703 459 H GLY 60 H GLY 60 -6.815 9.821 4.152 460 HA2 GLY 60 2HA GLY 60 -7.856 10.582 1.532 461 HA3 GLY 60 1HA GLY 60 -7.673 11.629 2.909 462 H ARG 61 H ARG 61 -6.688 12.577 0.550 463 HA ARG 61 HA ARG 61 -3.885 11.930 0.264 464 HB2 ARG 61 2HB ARG 61 -5.571 14.102 -0.999 465 HB3 ARG 61 1HB ARG 61 -3.906 13.715 -1.420 466 HG2 ARG 61 2HG ARG 61 -4.621 11.377 -1.955 467 HG3 ARG 61 1HG ARG 61 -6.303 11.853 -1.701 468 HD2 ARG 61 2HD ARG 61 -4.398 13.058 -3.717 469 HD3 ARG 61 1HD ARG 61 -5.700 11.964 -4.111 470 HE ARG 61 HE ARG 61 -5.920 14.781 -3.388 471 HH11 ARG 61 1HH2 ARG 61 -7.567 11.753 -3.837 472 HH12 ARG 61 2HH2 ARG 61 -9.117 12.459 -4.020 473 HH21 ARG 61 1HH1 ARG 61 -7.966 15.725 -3.648 474 HH22 ARG 61 2HH1 ARG 61 -9.352 14.747 -3.938 475 H GLY 62 H GLY 62 -2.197 13.482 0.502 476 HA2 GLY 62 2HA GLY 62 -1.379 15.524 1.351 477 HA3 GLY 62 1HA GLY 62 -2.753 15.645 2.454 478 H LYS 63 H LYS 63 -2.902 13.237 3.568 479 HA LYS 63 HA LYS 63 -0.827 13.101 5.520 480 HB2 LYS 63 2HB LYS 63 -3.065 12.222 5.978 481 HB3 LYS 63 1HB LYS 63 -2.840 10.997 4.722 482 HG2 LYS 63 2HG LYS 63 -0.902 10.064 5.973 483 HG3 LYS 63 1HG LYS 63 -1.140 11.277 7.231 484 HD2 LYS 63 2HD LYS 63 -3.352 10.354 7.754 485 HD3 LYS 63 1HD LYS 63 -3.206 9.231 6.399 486 HE2 LYS 63 2HE LYS 63 -2.698 8.088 8.472 487 HE3 LYS 63 1HE LYS 63 -1.268 8.169 7.460 488 HZ1 LYS 63 3HZ LYS 63 -1.834 9.419 10.003 489 HZ2 LYS 63 1HZ LYS 63 -0.963 10.408 8.952 490 HZ3 LYS 63 2HZ LYS 63 -0.383 8.868 9.413 491 H MET 64 H MET 64 -1.556 11.245 2.643 492 HA MET 64 HA MET 64 0.774 9.553 2.992 493 HB2 MET 64 2HB MET 64 -0.962 9.558 0.555 494 HB3 MET 64 1HB MET 64 -0.110 8.216 1.324 495 HG2 MET 64 2HG MET 64 -2.537 9.637 2.492 496 HG3 MET 64 1HG MET 64 -2.514 8.049 1.728 497 HE1 MET 64 3HE MET 64 -0.770 5.944 2.864 498 HE2 MET 64 1HE MET 64 -2.528 6.168 2.709 499 HE3 MET 64 2HE MET 64 -1.836 5.646 4.234 500 H VAL 65 H VAL 65 2.504 9.493 1.565 501 HA VAL 65 HA VAL 65 3.249 11.980 0.403 502 HB VAL 65 HB VAL 65 5.263 10.784 -0.372 503 HG11 VAL 65 1HG1 VAL 65 4.533 9.910 2.427 504 HG12 VAL 65 2HG1 VAL 65 4.955 11.566 2.018 505 HG13 VAL 65 3HG1 VAL 65 6.142 10.279 1.805 506 HG21 VAL 65 3HG2 VAL 65 3.608 8.387 0.425 507 HG22 VAL 65 1HG2 VAL 65 5.361 8.306 0.528 508 HG23 VAL 65 2HG2 VAL 65 4.594 8.617 -1.023 509 H LYS 66 H LYS 66 3.234 12.653 -1.687 510 HA LYS 66 HA LYS 66 1.176 11.990 -3.299 511 HB2 LYS 66 2HB LYS 66 3.863 13.047 -4.178 512 HB3 LYS 66 1HB LYS 66 2.433 13.043 -5.196 513 HG2 LYS 66 2HG LYS 66 2.140 14.228 -2.453 514 HG3 LYS 66 1HG LYS 66 3.032 15.156 -3.632 515 HD2 LYS 66 2HD LYS 66 1.219 15.423 -5.050 516 HD3 LYS 66 1HD LYS 66 0.363 14.000 -4.454 517 HE2 LYS 66 2HE LYS 66 0.772 16.615 -2.962 518 HE3 LYS 66 1HE LYS 66 -0.723 16.058 -3.674 519 HZ1 LYS 66 3HZ LYS 66 -0.546 14.040 -2.180 520 HZ2 LYS 66 1HZ LYS 66 -0.818 15.497 -1.386 521 HZ3 LYS 66 2HZ LYS 66 0.708 14.865 -1.356 522 HA PRO 67 HA PRO 67 3.997 8.745 -5.765 523 HB2 PRO 67 2HB PRO 67 5.204 7.711 -3.234 524 HB3 PRO 67 1HB PRO 67 5.869 7.715 -4.878 525 HG2 PRO 67 2HG PRO 67 6.667 9.445 -3.015 526 HG3 PRO 67 1HG PRO 67 6.603 9.919 -4.703 527 HD2 PRO 67 2HD PRO 67 4.893 10.836 -2.501 528 HD3 PRO 67 1HD PRO 67 5.118 11.514 -4.126 529 H PHE 68 H PHE 68 3.107 8.303 -2.399 530 HA PHE 68 HA PHE 68 1.923 5.722 -2.580 531 HB2 PHE 68 2HB PHE 68 2.710 6.811 -0.489 532 HB3 PHE 68 1HB PHE 68 1.297 7.877 -0.555 533 HD1 PHE 68 1HD PHE 68 -1.016 6.879 -0.370 534 HD2 PHE 68 2HD PHE 68 2.563 4.527 0.154 535 HE1 PHE 68 1HE PHE 68 -2.318 5.086 0.715 536 HE2 PHE 68 2HE PHE 68 1.260 2.775 1.210 537 HZ PHE 68 HZ PHE 68 -1.206 3.036 1.500 538 H GLU 69 H GLU 69 0.595 8.988 -2.617 539 HA GLU 69 HA GLU 69 -2.136 8.312 -2.778 540 HB2 GLU 69 2HB GLU 69 -0.623 10.719 -3.785 541 HB3 GLU 69 1HB GLU 69 -2.382 10.611 -3.790 542 HG2 GLU 69 2HG GLU 69 -2.396 10.362 -1.338 543 HG3 GLU 69 1HG GLU 69 -0.633 10.339 -1.336 544 H ASP 70 H ASP 70 0.257 9.028 -5.264 545 HA ASP 70 HA ASP 70 -1.431 8.807 -7.500 546 HB2 ASP 70 2HB ASP 70 0.867 9.738 -7.576 547 HB3 ASP 70 1HB ASP 70 1.505 8.130 -7.303 548 H ALA 71 H ALA 71 0.549 6.387 -5.860 549 HA ALA 71 HA ALA 71 -0.095 4.244 -7.576 550 HB1 ALA 71 1HB ALA 71 0.356 2.925 -5.291 551 HB2 ALA 71 2HB ALA 71 1.029 4.482 -4.827 552 HB3 ALA 71 3HB ALA 71 1.658 3.633 -6.237 553 H ALA 72 H ALA 72 -1.610 5.314 -4.543 554 HA ALA 72 HA ALA 72 -3.472 3.237 -4.365 555 HB1 ALA 72 1HB ALA 72 -3.757 6.062 -3.294 556 HB2 ALA 72 2HB ALA 72 -2.941 4.719 -2.505 557 HB3 ALA 72 3HB ALA 72 -4.680 4.634 -2.806 558 H PHE 73 H PHE 73 -3.872 6.480 -5.752 559 HA PHE 73 HA PHE 73 -6.564 6.012 -6.479 560 HB2 PHE 73 2HB PHE 73 -4.627 8.172 -7.264 561 HB3 PHE 73 1HB PHE 73 -6.210 8.040 -8.031 562 HD1 PHE 73 1HD PHE 73 -4.492 8.562 -4.777 563 HD2 PHE 73 2HD PHE 73 -8.260 8.503 -6.843 564 HE1 PHE 73 1HE PHE 73 -5.575 9.591 -2.831 565 HE2 PHE 73 2HE PHE 73 -9.344 9.544 -4.898 566 HZ PHE 73 HZ PHE 73 -8.016 10.091 -2.873 567 H ARG 74 H ARG 74 -3.557 5.597 -8.249 568 HA ARG 74 HA ARG 74 -4.663 5.185 -10.810 569 HB2 ARG 74 2HB ARG 74 -2.180 4.097 -9.502 570 HB3 ARG 74 1HB ARG 74 -2.577 3.783 -11.182 571 HG2 ARG 74 2HG ARG 74 -2.529 6.174 -11.706 572 HG3 ARG 74 1HG ARG 74 -2.325 6.593 -10.019 573 HD2 ARG 74 2HD ARG 74 -0.207 6.664 -11.172 574 HD3 ARG 74 1HD ARG 74 -0.181 5.419 -9.941 575 HE ARG 74 HE ARG 74 -0.701 4.820 -12.820 576 HH11 ARG 74 1HH2 ARG 74 0.989 4.141 -9.808 577 HH12 ARG 74 2HH2 ARG 74 1.885 2.839 -10.475 578 HH21 ARG 74 1HH1 ARG 74 0.564 3.092 -13.664 579 HH22 ARG 74 2HH1 ARG 74 1.696 2.278 -12.637 580 H LEU 75 H LEU 75 -3.915 2.830 -8.224 581 HA LEU 75 HA LEU 75 -5.312 0.795 -9.805 582 HB2 LEU 75 2HB LEU 75 -3.450 0.375 -7.491 583 HB3 LEU 75 1HB LEU 75 -4.207 -0.903 -8.422 584 HG LEU 75 HG LEU 75 -2.225 1.161 -9.441 585 HD11 LEU 75 1HD1 LEU 75 -0.777 -0.636 -9.792 586 HD12 LEU 75 2HD1 LEU 75 -2.078 -1.827 -9.668 587 HD13 LEU 75 3HD1 LEU 75 -1.526 -0.979 -8.224 588 HD21 LEU 75 3HD2 LEU 75 -3.632 0.998 -11.320 589 HD22 LEU 75 1HD2 LEU 75 -4.139 -0.644 -10.917 590 HD23 LEU 75 2HD2 LEU 75 -2.545 -0.348 -11.593 591 H GLN 76 H GLN 76 -6.922 2.628 -8.484 592 HA GLN 76 HA GLN 76 -7.968 1.697 -6.104 593 HB2 GLN 76 2HB GLN 76 -9.346 3.104 -8.391 594 HB3 GLN 76 1HB GLN 76 -10.139 2.757 -6.862 595 HG2 GLN 76 2HG GLN 76 -8.526 4.027 -5.623 596 HG3 GLN 76 1HG GLN 76 -7.497 4.211 -7.040 597 HE21 GLN 76 1HE2 GLN 76 -8.066 5.827 -8.581 598 HE22 GLN 76 2HE2 GLN 76 -9.334 6.925 -8.334 599 H VAL 77 H VAL 77 -8.077 0.298 -9.195 600 HA VAL 77 HA VAL 77 -10.357 -1.304 -9.072 601 HB VAL 77 HB VAL 77 -9.078 -0.913 -11.135 602 HG11 VAL 77 1HG1 VAL 77 -6.907 -1.606 -11.489 603 HG12 VAL 77 2HG1 VAL 77 -7.027 -2.934 -10.355 604 HG13 VAL 77 3HG1 VAL 77 -6.812 -1.281 -9.758 605 HG21 VAL 77 3HG2 VAL 77 -10.503 -3.050 -10.709 606 HG22 VAL 77 1HG2 VAL 77 -8.951 -3.884 -10.576 607 HG23 VAL 77 2HG2 VAL 77 -9.391 -3.070 -12.073 608 H GLY 78 H GLY 78 -7.264 -1.623 -7.481 609 HA2 GLY 78 2HA GLY 78 -7.236 -3.064 -5.448 610 HA3 GLY 78 1HA GLY 78 -8.143 -4.232 -6.387 611 H GLU 79 H GLU 79 -5.905 -2.839 -8.371 612 HA GLU 79 HA GLU 79 -4.323 -5.233 -8.417 613 HB2 GLU 79 2HB GLU 79 -4.969 -4.002 -10.483 614 HB3 GLU 79 1HB GLU 79 -3.963 -2.651 -9.979 615 HG2 GLU 79 2HG GLU 79 -1.974 -4.098 -9.990 616 HG3 GLU 79 1HG GLU 79 -2.975 -5.460 -10.460 617 H VAL 80 H VAL 80 -1.994 -5.268 -8.117 618 HA VAL 80 HA VAL 80 -1.188 -3.738 -5.816 619 HB VAL 80 HB VAL 80 0.579 -5.505 -7.528 620 HG11 VAL 80 1HG1 VAL 80 0.674 -4.685 -4.621 621 HG12 VAL 80 2HG1 VAL 80 1.746 -4.085 -5.884 622 HG13 VAL 80 3HG1 VAL 80 1.805 -5.788 -5.397 623 HG21 VAL 80 3HG2 VAL 80 -1.150 -6.269 -5.149 624 HG22 VAL 80 1HG2 VAL 80 0.041 -7.289 -5.958 625 HG23 VAL 80 2HG2 VAL 80 -1.419 -6.782 -6.825 626 H SER 81 H SER 81 -0.061 -1.909 -5.771 627 HA SER 81 HA SER 81 0.543 -0.455 -8.183 628 HB2 SER 81 2HB SER 81 1.369 1.240 -6.700 629 HB3 SER 81 1HB SER 81 -0.151 0.625 -6.073 630 HG SER 81 HG SER 81 2.521 0.139 -5.231 631 H GLU 82 H GLU 82 2.605 0.239 -8.901 632 HA GLU 82 HA GLU 82 4.670 -1.716 -8.736 633 HB2 GLU 82 2HB GLU 82 5.009 1.199 -9.475 634 HB3 GLU 82 1HB GLU 82 5.994 -0.158 -9.996 635 HG2 GLU 82 2HG GLU 82 4.705 -0.147 -11.836 636 HG3 GLU 82 1HG GLU 82 3.562 -1.012 -10.837 637 HA PRO 83 HA PRO 83 6.672 -0.567 -4.968 638 HB2 PRO 83 2HB PRO 83 9.063 0.206 -6.578 639 HB3 PRO 83 1HB PRO 83 8.971 -0.835 -5.135 640 HG2 PRO 83 2HG PRO 83 9.281 -1.885 -7.543 641 HG3 PRO 83 1HG PRO 83 8.246 -2.676 -6.347 642 HD2 PRO 83 2HD PRO 83 7.391 -1.234 -8.825 643 HD3 PRO 83 1HD PRO 83 6.575 -2.478 -7.873 644 H VAL 84 H VAL 84 6.350 1.329 -3.894 645 HA VAL 84 HA VAL 84 6.511 3.855 -5.393 646 HB VAL 84 HB VAL 84 5.188 3.240 -2.757 647 HG11 VAL 84 1HG1 VAL 84 5.856 5.633 -3.244 648 HG12 VAL 84 2HG1 VAL 84 4.134 5.373 -2.966 649 HG13 VAL 84 3HG1 VAL 84 4.727 5.600 -4.604 650 HG21 VAL 84 3HG2 VAL 84 4.157 2.018 -4.727 651 HG22 VAL 84 1HG2 VAL 84 3.872 3.588 -5.477 652 HG23 VAL 84 2HG2 VAL 84 3.077 3.167 -3.968 653 H LYS 85 H LYS 85 8.456 4.762 -5.154 654 HA LYS 85 HA LYS 85 10.033 4.320 -2.773 655 HB2 LYS 85 2HB LYS 85 11.001 4.590 -5.097 656 HB3 LYS 85 1HB LYS 85 10.540 6.282 -5.012 657 HG2 LYS 85 2HG LYS 85 11.945 6.630 -3.030 658 HG3 LYS 85 1HG LYS 85 12.379 4.919 -3.024 659 HD2 LYS 85 2HD LYS 85 13.364 5.181 -5.286 660 HD3 LYS 85 1HD LYS 85 12.956 6.894 -5.216 661 HE2 LYS 85 2HE LYS 85 15.203 6.857 -4.527 662 HE3 LYS 85 1HE LYS 85 14.334 6.947 -3.002 663 HZ1 LYS 85 3HZ LYS 85 16.151 5.033 -3.731 664 HZ2 LYS 85 1HZ LYS 85 14.684 4.238 -3.899 665 HZ3 LYS 85 2HZ LYS 85 15.102 4.933 -2.421 666 H SER 86 H SER 86 10.176 5.680 -1.018 667 HA SER 86 HA SER 86 9.186 8.408 -1.236 668 HB2 SER 86 2HB SER 86 7.422 8.149 0.251 669 HB3 SER 86 1HB SER 86 7.313 6.679 -0.668 670 HG SER 86 HG SER 86 7.992 5.549 0.977 671 H GLU 87 H GLU 87 9.503 9.480 0.892 672 HA GLU 87 HA GLU 87 12.104 9.095 1.972 673 HB2 GLU 87 2HB GLU 87 11.269 10.635 3.810 674 HB3 GLU 87 1HB GLU 87 11.153 11.253 2.156 675 HG2 GLU 87 2HG GLU 87 8.667 10.022 2.464 676 HG3 GLU 87 1HG GLU 87 9.016 10.566 4.077 677 H PHE 88 H PHE 88 8.967 7.861 2.733 678 HA PHE 88 HA PHE 88 9.530 6.749 5.289 679 HB2 PHE 88 2HB PHE 88 7.448 6.195 3.198 680 HB3 PHE 88 1HB PHE 88 7.547 5.219 4.639 681 HD1 PHE 88 2HD PHE 88 7.392 6.387 6.938 682 HD2 PHE 88 1HD PHE 88 6.437 8.364 3.238 683 HE1 PHE 88 2HE PHE 88 6.147 8.121 8.185 684 HE2 PHE 88 1HE PHE 88 5.199 10.107 4.508 685 HZ PHE 88 HZ PHE 88 5.052 9.970 6.977 686 H GLY 89 H GLY 89 9.763 5.627 1.976 687 HA2 GLY 89 2HA GLY 89 11.809 3.954 1.908 688 HA3 GLY 89 1HA GLY 89 10.645 2.956 2.778 689 H TYR 90 H TYR 90 10.434 1.447 1.092 690 HA TYR 90 HA TYR 90 9.168 2.491 -1.340 691 HB2 TYR 90 2HB TYR 90 10.580 -0.082 -0.718 692 HB3 TYR 90 1HB TYR 90 9.515 0.021 -2.095 693 HD1 TYR 90 1HD TYR 90 10.028 1.528 -3.996 694 HD2 TYR 90 2HD TYR 90 12.711 1.157 -0.652 695 HE1 TYR 90 1HE TYR 90 11.796 2.616 -5.298 696 HE2 TYR 90 2HE TYR 90 14.485 2.254 -1.964 697 HH TYR 90 HH TYR 90 14.418 2.520 -5.204 698 H HIS 91 H HIS 91 7.007 2.246 -1.541 699 HA HIS 91 HA HIS 91 5.656 0.411 0.333 700 HB2 HIS 91 2HB HIS 91 4.207 2.574 -1.207 701 HB3 HIS 91 1HB HIS 91 3.702 1.670 0.196 702 HD1 HIS 91 1HD HIS 91 3.712 3.067 2.196 703 HD2 HIS 91 2HD HIS 91 6.861 4.060 -0.330 704 HE1 HIS 91 1HE HIS 91 4.967 4.963 3.321 705 H VAL 92 H VAL 92 4.186 -1.027 -0.367 706 HA VAL 92 HA VAL 92 3.655 -1.217 -3.261 707 HB VAL 92 HB VAL 92 3.759 -3.484 -1.254 708 HG11 VAL 92 1HG1 VAL 92 2.146 -3.958 -2.959 709 HG12 VAL 92 2HG1 VAL 92 3.601 -4.861 -3.389 710 HG13 VAL 92 3HG1 VAL 92 3.215 -3.359 -4.234 711 HG21 VAL 92 3HG2 VAL 92 6.017 -3.154 -1.609 712 HG22 VAL 92 1HG2 VAL 92 5.770 -2.359 -3.163 713 HG23 VAL 92 2HG2 VAL 92 5.668 -4.107 -3.061 714 H ILE 93 H ILE 93 1.515 -0.842 -3.676 715 HA ILE 93 HA ILE 93 -0.291 -0.926 -1.348 716 HB ILE 93 HB ILE 93 -0.312 0.879 -3.760 717 HG12 ILE 93 2HG1 ILE 93 0.064 1.527 -0.818 718 HG13 ILE 93 1HG1 ILE 93 1.405 1.351 -1.951 719 HG21 ILE 93 1HG2 ILE 93 -2.176 2.023 -2.516 720 HG22 ILE 93 2HG2 ILE 93 -2.193 0.655 -1.400 721 HG23 ILE 93 3HG2 ILE 93 -2.607 0.412 -3.095 722 HD11 ILE 93 3HD1 ILE 93 -0.452 3.113 -3.194 723 HD12 ILE 93 1HD1 ILE 93 1.123 3.521 -2.514 724 HD13 ILE 93 2HD1 ILE 93 -0.330 3.616 -1.531 725 H LYS 94 H LYS 94 -2.014 -2.135 -1.419 726 HA LYS 94 HA LYS 94 -3.106 -2.901 -4.033 727 HB2 LYS 94 2HB LYS 94 -2.167 -4.938 -2.930 728 HB3 LYS 94 1HB LYS 94 -3.214 -4.634 -1.538 729 HG2 LYS 94 2HG LYS 94 -5.218 -4.786 -2.939 730 HG3 LYS 94 1HG LYS 94 -4.234 -5.029 -4.377 731 HD2 LYS 94 2HD LYS 94 -3.342 -7.100 -3.405 732 HD3 LYS 94 1HD LYS 94 -4.385 -6.859 -1.980 733 HE2 LYS 94 2HE LYS 94 -6.387 -6.951 -3.368 734 HE3 LYS 94 1HE LYS 94 -5.407 -7.105 -4.830 735 HZ1 LYS 94 3HZ LYS 94 -5.532 -9.082 -2.581 736 HZ2 LYS 94 1HZ LYS 94 -4.592 -9.239 -3.996 737 HZ3 LYS 94 2HZ LYS 94 -6.263 -9.215 -4.094 738 H ARG 95 H ARG 95 -5.279 -2.635 -4.228 739 HA ARG 95 HA ARG 95 -6.358 -0.842 -2.248 740 HB2 ARG 95 2HB ARG 95 -6.777 -0.873 -4.918 741 HB3 ARG 95 1HB ARG 95 -8.246 -1.683 -4.365 742 HG2 ARG 95 2HG ARG 95 -7.485 0.690 -2.759 743 HG3 ARG 95 1HG ARG 95 -7.998 1.059 -4.393 744 HD2 ARG 95 2HD ARG 95 -9.528 -0.689 -2.473 745 HD3 ARG 95 1HD ARG 95 -9.827 1.026 -2.670 746 HE ARG 95 HE ARG 95 -10.002 -0.106 -5.227 747 HH11 ARG 95 1HH2 ARG 95 -11.522 -0.594 -2.081 748 HH12 ARG 95 2HH2 ARG 95 -13.032 -0.994 -2.752 749 HH21 ARG 95 1HH1 ARG 95 -11.986 -0.644 -6.075 750 HH22 ARG 95 2HH1 ARG 95 -13.314 -1.049 -5.067 751 H LEU 96 H LEU 96 -8.159 -1.021 -0.996 752 HA LEU 96 HA LEU 96 -8.939 -3.773 -0.382 753 HB2 LEU 96 2HB LEU 96 -7.603 -2.715 1.404 754 HB3 LEU 96 1HB LEU 96 -8.715 -1.348 1.394 755 HG LEU 96 HG LEU 96 -10.586 -2.885 1.998 756 HD11 LEU 96 1HD1 LEU 96 -8.309 -4.889 2.187 757 HD12 LEU 96 2HD1 LEU 96 -9.750 -4.993 1.176 758 HD13 LEU 96 3HD1 LEU 96 -9.893 -5.127 2.920 759 HD21 LEU 96 3HD2 LEU 96 -8.759 -1.717 3.655 760 HD22 LEU 96 1HD2 LEU 96 -8.566 -3.406 4.112 761 HD23 LEU 96 2HD2 LEU 96 -10.135 -2.650 4.250 762 H GLY 97 H GLY 97 -11.069 -4.203 -0.149 763 HA2 GLY 97 2HA GLY 97 -12.994 -2.025 -0.748 764 HA3 GLY 97 1HA GLY 97 -13.158 -3.647 -1.398 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -14.890 3.903 6.455 2 HA2 GLY 1 2HA GLY 1 -15.028 2.828 8.504 3 HA3 GLY 1 1HA GLY 1 -14.382 4.247 9.320 4 HA PRO 2 HA PRO 2 -18.395 6.010 10.087 5 HB2 PRO 2 2HB PRO 2 -18.078 8.080 7.956 6 HB3 PRO 2 1HB PRO 2 -18.476 8.256 9.674 7 HG2 PRO 2 2HG PRO 2 -16.044 8.822 8.799 8 HG3 PRO 2 1HG PRO 2 -16.279 8.038 10.368 9 HD2 PRO 2 2HD PRO 2 -15.262 6.836 7.828 10 HD3 PRO 2 1HD PRO 2 -14.894 6.433 9.516 11 H MET 3 H MET 3 -20.558 5.861 9.421 12 HA MET 3 HA MET 3 -21.218 4.140 7.326 13 HB2 MET 3 2HB MET 3 -22.935 6.096 8.859 14 HB3 MET 3 1HB MET 3 -23.584 4.953 7.677 15 HG2 MET 3 2HG MET 3 -22.664 3.071 8.965 16 HG3 MET 3 1HG MET 3 -21.976 4.202 10.132 17 HE1 MET 3 3HE MET 3 -25.644 4.262 8.305 18 HE2 MET 3 1HE MET 3 -26.324 3.031 9.378 19 HE3 MET 3 2HE MET 3 -24.901 2.677 8.422 20 H GLY 4 H GLY 4 -22.115 4.443 5.310 21 HA2 GLY 4 2HA GLY 4 -22.526 5.502 3.302 22 HA3 GLY 4 1HA GLY 4 -22.595 7.038 4.177 23 H SER 5 H SER 5 -19.921 4.851 4.479 24 HA SER 5 HA SER 5 -17.938 6.671 4.237 25 HB2 SER 5 2HB SER 5 -17.509 3.912 3.124 26 HB3 SER 5 1HB SER 5 -16.443 4.879 4.124 27 HG SER 5 HG SER 5 -18.225 4.636 5.789 28 H MET 6 H MET 6 -17.936 8.140 2.638 29 HA MET 6 HA MET 6 -18.729 7.667 -0.034 30 HB2 MET 6 2HB MET 6 -17.124 9.920 1.185 31 HB3 MET 6 1HB MET 6 -17.703 9.898 -0.481 32 HG2 MET 6 2HG MET 6 -20.020 9.723 0.298 33 HG3 MET 6 1HG MET 6 -19.462 9.691 1.977 34 HE1 MET 6 3HE MET 6 -21.446 11.939 0.108 35 HE2 MET 6 1HE MET 6 -21.209 13.180 1.347 36 HE3 MET 6 2HE MET 6 -21.456 11.504 1.801 37 H ALA 7 H ALA 7 -17.515 7.640 -1.912 38 HA ALA 7 HA ALA 7 -15.044 6.195 -1.849 39 HB1 ALA 7 1HB ALA 7 -15.045 6.565 -4.297 40 HB2 ALA 7 2HB ALA 7 -16.436 7.633 -4.125 41 HB3 ALA 7 3HB ALA 7 -16.585 5.923 -3.725 42 H ASP 8 H ASP 8 -15.568 9.176 -0.863 43 HA ASP 8 HA ASP 8 -13.706 10.841 -2.182 44 HB2 ASP 8 2HB ASP 8 -15.380 11.701 -0.515 45 HB3 ASP 8 1HB ASP 8 -14.495 10.857 0.745 46 H LYS 9 H LYS 9 -13.482 8.614 0.489 47 HA LYS 9 HA LYS 9 -10.645 8.953 0.927 48 HB2 LYS 9 2HB LYS 9 -12.647 6.931 1.938 49 HB3 LYS 9 1HB LYS 9 -10.974 7.058 2.467 50 HG2 LYS 9 2HG LYS 9 -11.327 9.301 3.276 51 HG3 LYS 9 1HG LYS 9 -12.997 9.315 2.713 52 HD2 LYS 9 2HD LYS 9 -13.470 7.347 4.174 53 HD3 LYS 9 1HD LYS 9 -11.845 7.447 4.819 54 HE2 LYS 9 2HE LYS 9 -14.009 9.571 5.011 55 HE3 LYS 9 1HE LYS 9 -13.387 8.547 6.297 56 HZ1 LYS 9 3HZ LYS 9 -11.182 9.561 5.998 57 HZ2 LYS 9 1HZ LYS 9 -12.371 10.645 6.465 58 HZ3 LYS 9 2HZ LYS 9 -11.834 10.662 4.872 59 H ILE 10 H ILE 10 -9.198 7.100 0.698 60 HA ILE 10 HA ILE 10 -9.878 5.430 -1.644 61 HB ILE 10 HB ILE 10 -7.084 5.415 -0.797 62 HG12 ILE 10 2HG1 ILE 10 -8.415 8.076 -1.468 63 HG13 ILE 10 1HG1 ILE 10 -7.336 7.694 -0.151 64 HG21 ILE 10 1HG2 ILE 10 -6.715 5.785 -3.168 65 HG22 ILE 10 2HG2 ILE 10 -8.424 6.133 -3.412 66 HG23 ILE 10 3HG2 ILE 10 -7.902 4.516 -2.903 67 HD11 ILE 10 3HD1 ILE 10 -5.568 7.160 -1.916 68 HD12 ILE 10 1HD1 ILE 10 -5.970 8.861 -1.673 69 HD13 ILE 10 2HD1 ILE 10 -6.629 7.993 -3.059 70 H LYS 11 H LYS 11 -10.117 3.300 -1.260 71 HA LYS 11 HA LYS 11 -9.484 2.268 1.429 72 HB2 LYS 11 2HB LYS 11 -10.996 0.862 -0.834 73 HB3 LYS 11 1HB LYS 11 -10.727 0.343 0.796 74 HG2 LYS 11 2HG LYS 11 -11.982 2.060 1.793 75 HG3 LYS 11 1HG LYS 11 -12.117 2.975 0.306 76 HD2 LYS 11 2HD LYS 11 -14.191 1.824 0.654 77 HD3 LYS 11 1HD LYS 11 -13.374 1.082 -0.720 78 HE2 LYS 11 2HE LYS 11 -12.550 -0.756 0.722 79 HE3 LYS 11 1HE LYS 11 -13.313 -0.017 2.124 80 HZ1 LYS 11 3HZ LYS 11 -14.482 -1.873 0.703 81 HZ2 LYS 11 1HZ LYS 11 -14.990 -0.540 -0.212 82 HZ3 LYS 11 2HZ LYS 11 -15.358 -0.634 1.455 83 H CYS 12 H CYS 12 -7.344 1.724 1.541 84 HA CYS 12 HA CYS 12 -6.416 -0.277 -0.345 85 HB2 CYS 12 2HB CYS 12 -5.063 1.057 -1.546 86 HB3 CYS 12 1HB CYS 12 -5.783 2.436 -0.758 87 HG CYS 12 HG CYS 12 -3.551 2.794 0.258 88 H SER 13 H SER 13 -4.220 -0.964 0.186 89 HA SER 13 HA SER 13 -3.603 -0.757 3.029 90 HB2 SER 13 2HB SER 13 -3.694 -3.354 1.466 91 HB3 SER 13 1HB SER 13 -3.143 -3.174 3.117 92 HG SER 13 HG SER 13 -5.571 -3.673 2.413 93 H HIS 14 H HIS 14 -1.367 -0.908 3.458 94 HA HIS 14 HA HIS 14 0.316 -1.013 1.054 95 HB2 HIS 14 2HB HIS 14 1.213 1.003 1.279 96 HB3 HIS 14 1HB HIS 14 -0.229 1.397 2.211 97 HD2 HIS 14 2HD HIS 14 0.704 0.091 5.101 98 HE1 HIS 14 1HE HIS 14 4.165 2.449 4.694 99 HE2 HIS 14 2HE HIS 14 2.812 1.112 6.325 100 H ILE 15 H ILE 15 2.415 -1.542 1.255 101 HA ILE 15 HA ILE 15 3.256 -2.773 3.787 102 HB ILE 15 HB ILE 15 3.514 -3.867 0.973 103 HG12 ILE 15 2HG1 ILE 15 2.224 -5.108 3.421 104 HG13 ILE 15 1HG1 ILE 15 1.326 -4.182 2.237 105 HG21 ILE 15 1HG2 ILE 15 4.386 -5.808 2.778 106 HG22 ILE 15 2HG2 ILE 15 5.198 -4.319 3.305 107 HG23 ILE 15 3HG2 ILE 15 5.336 -4.877 1.639 108 HD11 ILE 15 3HD1 ILE 15 2.989 -6.632 1.566 109 HD12 ILE 15 1HD1 ILE 15 1.933 -5.723 0.475 110 HD13 ILE 15 2HD1 ILE 15 1.245 -6.621 1.825 111 H LEU 16 H LEU 16 5.127 -1.871 4.439 112 HA LEU 16 HA LEU 16 6.643 -0.169 2.596 113 HB2 LEU 16 2HB LEU 16 6.032 0.623 4.894 114 HB3 LEU 16 1HB LEU 16 7.065 -0.638 5.562 115 HG LEU 16 HG LEU 16 9.009 0.353 4.267 116 HD11 LEU 16 1HD1 LEU 16 8.690 1.975 2.756 117 HD12 LEU 16 2HD1 LEU 16 7.855 2.981 3.929 118 HD13 LEU 16 3HD1 LEU 16 6.948 1.834 2.975 119 HD21 LEU 16 3HD2 LEU 16 7.817 2.522 5.984 120 HD22 LEU 16 1HD2 LEU 16 9.480 1.961 5.906 121 HD23 LEU 16 2HD2 LEU 16 8.256 0.987 6.717 122 H VAL 17 H VAL 17 8.512 -0.765 1.685 123 HA VAL 17 HA VAL 17 9.915 -3.136 2.720 124 HB VAL 17 HB VAL 17 10.403 -3.764 0.379 125 HG11 VAL 17 1HG1 VAL 17 7.694 -3.800 1.602 126 HG12 VAL 17 2HG1 VAL 17 8.743 -5.116 1.066 127 HG13 VAL 17 3HG1 VAL 17 7.784 -4.229 -0.115 128 HG21 VAL 17 3HG2 VAL 17 10.097 -1.730 -0.835 129 HG22 VAL 17 1HG2 VAL 17 8.452 -1.515 -0.205 130 HG23 VAL 17 2HG2 VAL 17 8.806 -2.816 -1.345 131 H LYS 18 H LYS 18 12.130 -3.118 2.600 132 HA LYS 18 HA LYS 18 13.418 -0.598 2.684 133 HB2 LYS 18 2HB LYS 18 14.494 -3.404 2.493 134 HB3 LYS 18 1HB LYS 18 15.482 -1.971 2.738 135 HG2 LYS 18 2HG LYS 18 15.021 -1.928 4.928 136 HG3 LYS 18 1HG LYS 18 13.302 -1.901 4.597 137 HD2 LYS 18 2HD LYS 18 13.772 -3.906 5.925 138 HD3 LYS 18 1HD LYS 18 13.329 -4.368 4.285 139 HE2 LYS 18 2HE LYS 18 15.337 -5.584 5.194 140 HE3 LYS 18 1HE LYS 18 15.603 -4.784 3.666 141 HZ1 LYS 18 3HZ LYS 18 17.301 -4.413 5.577 142 HZ2 LYS 18 1HZ LYS 18 16.188 -3.289 6.154 143 HZ3 LYS 18 2HZ LYS 18 16.858 -3.121 4.612 144 H LYS 19 H LYS 19 13.253 -3.180 0.317 145 HA LYS 19 HA LYS 19 14.733 -1.489 -1.597 146 HB2 LYS 19 2HB LYS 19 15.736 -3.648 -0.448 147 HB3 LYS 19 1HB LYS 19 14.886 -4.464 -1.758 148 HG2 LYS 19 2HG LYS 19 16.068 -3.067 -3.414 149 HG3 LYS 19 1HG LYS 19 16.842 -2.165 -2.117 150 HD2 LYS 19 2HD LYS 19 17.931 -4.200 -1.296 151 HD3 LYS 19 1HD LYS 19 17.224 -5.137 -2.604 152 HE2 LYS 19 2HE LYS 19 19.063 -2.734 -2.999 153 HE3 LYS 19 1HE LYS 19 19.595 -4.405 -3.061 154 HZ1 LYS 19 3HZ LYS 19 18.007 -2.915 -5.020 155 HZ2 LYS 19 1HZ LYS 19 17.584 -4.523 -4.791 156 HZ3 LYS 19 2HZ LYS 19 19.134 -4.137 -5.254 157 H GLN 20 H GLN 20 14.283 -1.700 -3.770 158 HA GLN 20 HA GLN 20 11.564 -2.018 -4.483 159 HB2 GLN 20 2HB GLN 20 14.088 -1.912 -6.137 160 HB3 GLN 20 1HB GLN 20 12.484 -1.994 -6.857 161 HG2 GLN 20 2HG GLN 20 11.831 0.071 -5.667 162 HG3 GLN 20 1HG GLN 20 13.420 0.162 -4.921 163 HE21 GLN 20 1HE2 GLN 20 14.605 -0.862 -7.611 164 HE22 GLN 20 2HE2 GLN 20 14.608 0.533 -8.565 165 H GLY 21 H GLY 21 14.308 -4.176 -4.515 166 HA2 GLY 21 2HA GLY 21 13.164 -6.303 -5.980 167 HA3 GLY 21 1HA GLY 21 14.439 -6.487 -4.781 168 H GLU 22 H GLU 22 12.959 -5.385 -2.557 169 HA GLU 22 HA GLU 22 11.489 -7.661 -1.716 170 HB2 GLU 22 2HB GLU 22 11.705 -4.836 -0.614 171 HB3 GLU 22 1HB GLU 22 10.829 -6.148 0.163 172 HG2 GLU 22 2HG GLU 22 12.849 -7.466 0.372 173 HG3 GLU 22 1HG GLU 22 13.780 -6.284 -0.549 174 H ALA 23 H ALA 23 10.679 -4.461 -2.949 175 HA ALA 23 HA ALA 23 7.873 -4.598 -2.726 176 HB1 ALA 23 1HB ALA 23 9.311 -2.557 -3.380 177 HB2 ALA 23 2HB ALA 23 7.772 -2.775 -4.225 178 HB3 ALA 23 3HB ALA 23 9.270 -3.218 -5.014 179 H LEU 24 H LEU 24 10.029 -5.493 -5.376 180 HA LEU 24 HA LEU 24 8.005 -6.503 -7.106 181 HB2 LEU 24 2HB LEU 24 10.983 -6.902 -6.922 182 HB3 LEU 24 1HB LEU 24 10.019 -7.915 -7.980 183 HG LEU 24 HG LEU 24 11.063 -5.714 -8.934 184 HD11 LEU 24 1HD1 LEU 24 9.615 -7.082 -10.274 185 HD12 LEU 24 2HD1 LEU 24 9.078 -5.419 -10.437 186 HD13 LEU 24 3HD1 LEU 24 8.182 -6.532 -9.407 187 HD21 LEU 24 3HD2 LEU 24 10.171 -4.200 -7.178 188 HD22 LEU 24 1HD2 LEU 24 8.517 -4.604 -7.660 189 HD23 LEU 24 2HD2 LEU 24 9.581 -3.772 -8.773 190 H ALA 25 H ALA 25 9.987 -8.016 -4.600 191 HA ALA 25 HA ALA 25 9.234 -10.656 -5.049 192 HB1 ALA 25 1HB ALA 25 9.649 -9.543 -2.273 193 HB2 ALA 25 2HB ALA 25 10.995 -9.767 -3.373 194 HB3 ALA 25 3HB ALA 25 10.032 -11.153 -2.862 195 H VAL 26 H VAL 26 7.689 -8.268 -2.891 196 HA VAL 26 HA VAL 26 5.604 -10.031 -2.166 197 HB VAL 26 HB VAL 26 4.444 -8.041 -1.279 198 HG11 VAL 26 1HG1 VAL 26 6.670 -9.153 -0.287 199 HG12 VAL 26 2HG1 VAL 26 5.924 -7.735 0.462 200 HG13 VAL 26 3HG1 VAL 26 7.297 -7.537 -0.620 201 HG21 VAL 26 3HG2 VAL 26 5.152 -6.475 -3.163 202 HG22 VAL 26 1HG2 VAL 26 6.756 -6.441 -2.426 203 HG23 VAL 26 2HG2 VAL 26 5.375 -5.824 -1.544 204 H GLN 27 H GLN 27 5.986 -7.672 -4.708 205 HA GLN 27 HA GLN 27 3.352 -7.675 -5.700 206 HB2 GLN 27 2HB GLN 27 6.013 -6.933 -6.750 207 HB3 GLN 27 1HB GLN 27 4.810 -7.325 -7.973 208 HG2 GLN 27 2HG GLN 27 4.132 -5.454 -5.706 209 HG3 GLN 27 1HG GLN 27 4.972 -4.869 -7.122 210 HE21 GLN 27 1HE2 GLN 27 3.108 -3.628 -7.761 211 HE22 GLN 27 2HE2 GLN 27 1.741 -4.364 -8.453 212 H GLU 28 H GLU 28 6.108 -9.686 -6.585 213 HA GLU 28 HA GLU 28 4.765 -11.185 -8.584 214 HB2 GLU 28 2HB GLU 28 7.162 -11.925 -6.877 215 HB3 GLU 28 1HB GLU 28 6.606 -12.841 -8.262 216 HG2 GLU 28 2HG GLU 28 6.924 -10.959 -9.733 217 HG3 GLU 28 1HG GLU 28 7.393 -9.919 -8.398 218 H ARG 29 H ARG 29 5.427 -11.815 -5.225 219 HA ARG 29 HA ARG 29 4.211 -14.331 -5.059 220 HB2 ARG 29 2HB ARG 29 5.826 -13.529 -3.457 221 HB3 ARG 29 1HB ARG 29 4.690 -12.296 -2.894 222 HG2 ARG 29 2HG ARG 29 3.127 -14.064 -2.178 223 HG3 ARG 29 1HG ARG 29 4.234 -15.299 -2.773 224 HD2 ARG 29 2HD ARG 29 5.932 -14.638 -1.218 225 HD3 ARG 29 1HD ARG 29 4.982 -13.245 -0.700 226 HE ARG 29 HE ARG 29 3.610 -15.763 -0.348 227 HH11 ARG 29 1HH2 ARG 29 6.027 -13.585 0.987 228 HH12 ARG 29 2HH2 ARG 29 5.649 -14.093 2.611 229 HH21 ARG 29 1HH1 ARG 29 3.212 -16.326 1.783 230 HH22 ARG 29 2HH1 ARG 29 4.146 -15.566 3.058 231 H LEU 30 H LEU 30 2.907 -11.083 -4.490 232 HA LEU 30 HA LEU 30 0.493 -11.807 -3.307 233 HB2 LEU 30 2HB LEU 30 1.566 -9.426 -3.884 234 HB3 LEU 30 1HB LEU 30 0.568 -9.548 -5.312 235 HG LEU 30 HG LEU 30 -0.769 -8.388 -3.731 236 HD11 LEU 30 1HD1 LEU 30 -1.907 -10.316 -4.861 237 HD12 LEU 30 2HD1 LEU 30 -2.650 -9.760 -3.366 238 HD13 LEU 30 3HD1 LEU 30 -1.701 -11.236 -3.367 239 HD21 LEU 30 3HD2 LEU 30 -0.365 -10.528 -1.643 240 HD22 LEU 30 1HD2 LEU 30 -0.970 -8.893 -1.456 241 HD23 LEU 30 2HD2 LEU 30 0.746 -9.156 -1.745 242 H LYS 31 H LYS 31 1.554 -11.876 -6.630 243 HA LYS 31 HA LYS 31 -0.979 -12.298 -7.838 244 HB2 LYS 31 2HB LYS 31 1.579 -13.457 -8.935 245 HB3 LYS 31 1HB LYS 31 0.156 -12.914 -9.805 246 HG2 LYS 31 2HG LYS 31 2.216 -11.214 -8.396 247 HG3 LYS 31 1HG LYS 31 1.852 -11.256 -10.098 248 HD2 LYS 31 2HD LYS 31 -0.568 -10.510 -9.452 249 HD3 LYS 31 1HD LYS 31 0.121 -10.063 -7.909 250 HE2 LYS 31 2HE LYS 31 0.937 -8.991 -10.624 251 HE3 LYS 31 1HE LYS 31 0.192 -8.086 -9.310 252 HZ1 LYS 31 3HZ LYS 31 2.234 -7.630 -8.621 253 HZ2 LYS 31 1HZ LYS 31 2.953 -8.642 -9.754 254 HZ3 LYS 31 2HZ LYS 31 2.482 -9.248 -8.240 255 H ALA 32 H ALA 32 0.856 -14.280 -5.734 256 HA ALA 32 HA ALA 32 -0.084 -16.815 -6.745 257 HB1 ALA 32 1HB ALA 32 0.857 -17.750 -4.725 258 HB2 ALA 32 2HB ALA 32 0.954 -16.177 -3.971 259 HB3 ALA 32 3HB ALA 32 2.011 -16.565 -5.332 260 H GLY 33 H GLY 33 -1.402 -14.196 -5.039 261 HA2 GLY 33 2HA GLY 33 -3.692 -14.017 -4.608 262 HA3 GLY 33 1HA GLY 33 -3.821 -15.760 -4.455 263 H GLU 34 H GLU 34 -1.083 -14.961 -2.771 264 HA GLU 34 HA GLU 34 -2.254 -15.413 -0.254 265 HB2 GLU 34 2HB GLU 34 0.422 -14.141 -0.927 266 HB3 GLU 34 1HB GLU 34 -0.087 -14.520 0.703 267 HG2 GLU 34 2HG GLU 34 -0.491 -16.949 -0.218 268 HG3 GLU 34 1HG GLU 34 0.492 -16.426 -1.555 269 H LYS 35 H LYS 35 -2.675 -13.987 1.438 270 HA LYS 35 HA LYS 35 -3.871 -11.605 0.504 271 HB2 LYS 35 2HB LYS 35 -3.624 -12.741 3.276 272 HB3 LYS 35 1HB LYS 35 -4.417 -11.200 2.945 273 HG2 LYS 35 2HG LYS 35 -5.915 -12.240 1.361 274 HG3 LYS 35 1HG LYS 35 -5.168 -13.818 1.590 275 HD2 LYS 35 2HD LYS 35 -5.813 -13.736 4.009 276 HD3 LYS 35 1HD LYS 35 -6.672 -12.221 3.721 277 HE2 LYS 35 2HE LYS 35 -7.227 -14.903 2.439 278 HE3 LYS 35 1HE LYS 35 -8.243 -14.097 3.629 279 HZ1 LYS 35 3HZ LYS 35 -9.268 -13.138 1.921 280 HZ2 LYS 35 1HZ LYS 35 -8.182 -13.744 0.812 281 HZ3 LYS 35 2HZ LYS 35 -7.898 -12.255 1.556 282 H PHE 36 H PHE 36 -3.504 -9.602 0.832 283 HA PHE 36 HA PHE 36 -0.924 -8.611 0.617 284 HB2 PHE 36 2HB PHE 36 -3.116 -7.563 -0.086 285 HB3 PHE 36 1HB PHE 36 -3.370 -7.155 1.599 286 HD1 PHE 36 1HD PHE 36 -1.134 -6.590 -1.309 287 HD2 PHE 36 2HD PHE 36 -2.235 -5.327 2.651 288 HE1 PHE 36 1HE PHE 36 0.226 -4.550 -1.581 289 HE2 PHE 36 2HE PHE 36 -0.867 -3.286 2.365 290 HZ PHE 36 HZ PHE 36 0.357 -2.894 0.254 291 H GLY 37 H GLY 37 -3.136 -8.714 3.392 292 HA2 GLY 37 2HA GLY 37 -1.457 -7.459 5.252 293 HA3 GLY 37 1HA GLY 37 -2.786 -8.546 5.658 294 H LYS 38 H LYS 38 -1.744 -10.805 4.227 295 HA LYS 38 HA LYS 38 -0.109 -11.973 6.221 296 HB2 LYS 38 2HB LYS 38 -1.595 -13.252 4.659 297 HB3 LYS 38 1HB LYS 38 -0.478 -12.876 3.352 298 HG2 LYS 38 2HG LYS 38 1.309 -14.082 4.416 299 HG3 LYS 38 1HG LYS 38 0.364 -14.341 5.879 300 HD2 LYS 38 2HD LYS 38 -1.275 -15.653 4.591 301 HD3 LYS 38 1HD LYS 38 -0.325 -15.446 3.122 302 HE2 LYS 38 2HE LYS 38 0.753 -16.718 5.660 303 HE3 LYS 38 1HE LYS 38 0.090 -17.647 4.336 304 HZ1 LYS 38 3HZ LYS 38 2.468 -15.884 4.309 305 HZ2 LYS 38 1HZ LYS 38 1.715 -16.426 2.869 306 HZ3 LYS 38 2HZ LYS 38 2.385 -17.542 3.981 307 H LEU 39 H LEU 39 0.604 -10.710 3.005 308 HA LEU 39 HA LEU 39 3.421 -11.029 3.069 309 HB2 LEU 39 2HB LEU 39 1.566 -9.188 1.546 310 HB3 LEU 39 1HB LEU 39 3.291 -8.998 1.477 311 HG LEU 39 HG LEU 39 2.272 -10.476 -0.354 312 HD11 LEU 39 1HD1 LEU 39 4.747 -10.470 0.808 313 HD12 LEU 39 2HD1 LEU 39 4.268 -11.371 -0.633 314 HD13 LEU 39 3HD1 LEU 39 4.267 -12.169 0.942 315 HD21 LEU 39 3HD2 LEU 39 2.043 -12.394 2.022 316 HD22 LEU 39 1HD2 LEU 39 2.033 -12.894 0.338 317 HD23 LEU 39 2HD2 LEU 39 0.757 -11.864 0.933 318 H ALA 40 H ALA 40 1.201 -8.514 4.144 319 HA ALA 40 HA ALA 40 3.081 -6.578 4.677 320 HB1 ALA 40 1HB ALA 40 0.702 -6.829 6.501 321 HB2 ALA 40 2HB ALA 40 0.461 -6.488 4.789 322 HB3 ALA 40 3HB ALA 40 1.412 -5.386 5.775 323 H LYS 41 H LYS 41 1.708 -8.983 6.835 324 HA LYS 41 HA LYS 41 3.303 -8.373 9.127 325 HB2 LYS 41 2HB LYS 41 2.116 -11.021 8.301 326 HB3 LYS 41 1HB LYS 41 2.964 -10.755 9.809 327 HG2 LYS 41 2HG LYS 41 1.282 -8.989 10.399 328 HG3 LYS 41 1HG LYS 41 0.404 -9.375 8.923 329 HD2 LYS 41 2HD LYS 41 0.172 -11.733 9.633 330 HD3 LYS 41 1HD LYS 41 1.010 -11.394 11.132 331 HE2 LYS 41 2HE LYS 41 -1.715 -10.390 10.264 332 HE3 LYS 41 1HE LYS 41 -1.283 -11.370 11.643 333 HZ1 LYS 41 3HZ LYS 41 0.195 -9.234 12.231 334 HZ2 LYS 41 1HZ LYS 41 -1.466 -9.349 12.607 335 HZ3 LYS 41 2HZ LYS 41 -0.971 -8.526 11.220 336 H GLU 42 H GLU 42 3.754 -10.605 6.427 337 HA GLU 42 HA GLU 42 6.091 -11.803 7.414 338 HB2 GLU 42 2HB GLU 42 4.813 -11.677 4.726 339 HB3 GLU 42 1HB GLU 42 6.270 -12.580 4.930 340 HG2 GLU 42 2HG GLU 42 5.117 -13.848 6.805 341 HG3 GLU 42 1HG GLU 42 3.636 -12.997 6.409 342 H LEU 43 H LEU 43 5.673 -9.136 5.109 343 HA LEU 43 HA LEU 43 8.608 -8.850 5.112 344 HB2 LEU 43 2HB LEU 43 8.290 -9.615 2.984 345 HB3 LEU 43 1HB LEU 43 6.638 -9.063 2.895 346 HG LEU 43 HG LEU 43 8.136 -7.938 1.319 347 HD11 LEU 43 1HD1 LEU 43 7.556 -5.612 2.953 348 HD12 LEU 43 2HD1 LEU 43 6.207 -6.769 2.923 349 HD13 LEU 43 3HD1 LEU 43 6.871 -6.136 1.422 350 HD21 LEU 43 3HD2 LEU 43 9.846 -7.684 3.615 351 HD22 LEU 43 1HD2 LEU 43 9.471 -6.076 2.986 352 HD23 LEU 43 2HD2 LEU 43 10.169 -7.283 1.928 353 H SER 44 H SER 44 5.605 -7.067 5.384 354 HA SER 44 HA SER 44 6.677 -4.526 4.844 355 HB2 SER 44 2HB SER 44 4.676 -3.603 5.723 356 HB3 SER 44 1HB SER 44 4.192 -5.178 5.183 357 HG SER 44 HG SER 44 4.369 -5.891 7.301 358 H ILE 45 H ILE 45 7.820 -3.041 5.947 359 HA ILE 45 HA ILE 45 8.807 -3.828 8.612 360 HB ILE 45 HB ILE 45 10.662 -2.331 8.173 361 HG12 ILE 45 2HG1 ILE 45 9.510 -1.976 5.381 362 HG13 ILE 45 1HG1 ILE 45 9.354 -0.762 6.661 363 HG21 ILE 45 1HG2 ILE 45 10.154 -4.233 5.845 364 HG22 ILE 45 2HG2 ILE 45 10.767 -4.719 7.420 365 HG23 ILE 45 3HG2 ILE 45 11.730 -3.672 6.386 366 HD11 ILE 45 3HD1 ILE 45 11.459 -0.065 6.378 367 HD12 ILE 45 1HD1 ILE 45 11.400 -0.930 4.849 368 HD13 ILE 45 2HD1 ILE 45 12.106 -1.704 6.280 369 H ASP 46 H ASP 46 6.576 -1.804 7.209 370 HA ASP 46 HA ASP 46 6.930 0.422 9.063 371 HB2 ASP 46 2HB ASP 46 6.135 0.979 6.867 372 HB3 ASP 46 1HB ASP 46 4.776 -0.129 6.984 373 H GLY 47 H GLY 47 6.673 -0.325 11.052 374 HA2 GLY 47 2HA GLY 47 4.978 -2.307 11.944 375 HA3 GLY 47 1HA GLY 47 5.576 -1.013 12.956 376 H GLY 48 H GLY 48 4.425 1.200 11.813 377 HA2 GLY 48 2HA GLY 48 1.953 1.443 12.968 378 HA3 GLY 48 1HA GLY 48 2.430 2.364 11.547 379 H SER 49 H SER 49 2.580 0.709 9.547 380 HA SER 49 HA SER 49 -0.132 -0.040 9.060 381 HB2 SER 49 2HB SER 49 1.096 -1.095 6.953 382 HB3 SER 49 1HB SER 49 0.772 0.642 7.115 383 HG SER 49 HG SER 49 3.155 -0.479 8.178 384 H ALA 50 H ALA 50 2.763 -1.809 10.020 385 HA ALA 50 HA ALA 50 1.920 -4.407 9.342 386 HB1 ALA 50 1HB ALA 50 3.589 -3.731 11.760 387 HB2 ALA 50 2HB ALA 50 4.241 -3.702 10.103 388 HB3 ALA 50 3HB ALA 50 3.603 -5.198 10.783 389 H LYS 51 H LYS 51 1.290 -2.324 12.017 390 HA LYS 51 HA LYS 51 0.063 -4.126 13.826 391 HB2 LYS 51 2HB LYS 51 -0.478 -1.175 13.291 392 HB3 LYS 51 1HB LYS 51 -1.106 -2.086 14.660 393 HG2 LYS 51 2HG LYS 51 1.142 -2.594 15.460 394 HG3 LYS 51 1HG LYS 51 1.871 -1.826 14.063 395 HD2 LYS 51 2HD LYS 51 0.836 0.328 14.774 396 HD3 LYS 51 1HD LYS 51 0.227 -0.494 16.219 397 HE2 LYS 51 2HE LYS 51 2.529 -1.048 16.910 398 HE3 LYS 51 1HE LYS 51 3.156 -0.333 15.434 399 HZ1 LYS 51 3HZ LYS 51 2.088 1.033 17.801 400 HZ2 LYS 51 1HZ LYS 51 1.898 1.780 16.286 401 HZ3 LYS 51 2HZ LYS 51 3.427 1.351 16.853 402 H ARG 52 H ARG 52 -1.034 -2.413 11.006 403 HA ARG 52 HA ARG 52 -3.741 -3.570 11.210 404 HB2 ARG 52 2HB ARG 52 -2.617 -1.486 9.360 405 HB3 ARG 52 1HB ARG 52 -4.260 -2.100 9.334 406 HG2 ARG 52 2HG ARG 52 -4.637 -1.323 11.648 407 HG3 ARG 52 1HG ARG 52 -2.993 -0.726 11.729 408 HD2 ARG 52 2HD ARG 52 -4.442 1.151 11.162 409 HD3 ARG 52 1HD ARG 52 -3.416 0.755 9.812 410 HE ARG 52 HE ARG 52 -5.294 -0.317 8.698 411 HH11 ARG 52 1HH2 ARG 52 -6.101 1.485 11.597 412 HH12 ARG 52 2HH2 ARG 52 -7.756 1.553 11.219 413 HH21 ARG 52 1HH1 ARG 52 -7.440 -0.209 8.228 414 HH22 ARG 52 2HH1 ARG 52 -8.548 0.599 9.263 415 H ASP 53 H ASP 53 -0.904 -4.666 10.141 416 HA ASP 53 HA ASP 53 -0.203 -6.129 8.514 417 HB2 ASP 53 2HB ASP 53 -3.190 -6.556 7.992 418 HB3 ASP 53 1HB ASP 53 -1.880 -7.437 7.280 419 H GLY 54 H GLY 54 -0.644 -3.306 8.015 420 HA2 GLY 54 2HA GLY 54 -0.361 -1.897 6.150 421 HA3 GLY 54 1HA GLY 54 -0.483 -3.324 5.129 422 H SER 55 H SER 55 -3.085 -3.683 7.013 423 HA SER 55 HA SER 55 -4.902 -2.855 5.010 424 HB2 SER 55 2HB SER 55 -5.783 -3.413 7.820 425 HB3 SER 55 1HB SER 55 -6.563 -3.815 6.304 426 HG SER 55 HG SER 55 -4.324 -4.960 7.569 427 H LEU 56 H LEU 56 -4.091 -0.640 4.890 428 HA LEU 56 HA LEU 56 -4.512 1.250 6.943 429 HB2 LEU 56 2HB LEU 56 -4.331 1.575 3.941 430 HB3 LEU 56 1HB LEU 56 -4.379 2.920 5.073 431 HG LEU 56 HG LEU 56 -2.308 0.694 5.217 432 HD11 LEU 56 1HD1 LEU 56 -0.747 2.373 4.300 433 HD12 LEU 56 2HD1 LEU 56 -2.122 3.433 3.967 434 HD13 LEU 56 3HD1 LEU 56 -2.009 1.839 3.195 435 HD21 LEU 56 3HD2 LEU 56 -1.178 2.739 6.448 436 HD22 LEU 56 1HD2 LEU 56 -2.252 1.669 7.338 437 HD23 LEU 56 2HD2 LEU 56 -2.848 3.222 6.743 438 H GLY 57 H GLY 57 -6.526 0.123 4.256 439 HA2 GLY 57 2HA GLY 57 -8.846 -0.044 4.211 440 HA3 GLY 57 1HA GLY 57 -8.923 0.848 5.727 441 H TYR 58 H TYR 58 -10.475 2.338 5.081 442 HA TYR 58 HA TYR 58 -10.014 3.913 2.661 443 HB2 TYR 58 2HB TYR 58 -12.001 5.202 4.215 444 HB3 TYR 58 1HB TYR 58 -12.234 4.282 2.750 445 HD1 TYR 58 2HD TYR 58 -11.639 3.688 6.434 446 HD2 TYR 58 1HD TYR 58 -13.739 2.458 2.872 447 HE1 TYR 58 2HE TYR 58 -12.909 2.027 7.734 448 HE2 TYR 58 1HE TYR 58 -14.991 0.818 4.175 449 HH TYR 58 HH TYR 58 -15.693 0.611 6.673 450 H PHE 59 H PHE 59 -8.946 5.757 2.579 451 HA PHE 59 HA PHE 59 -8.623 7.353 5.029 452 HB2 PHE 59 2HB PHE 59 -6.226 7.623 4.650 453 HB3 PHE 59 1HB PHE 59 -6.614 5.926 4.881 454 HD1 PHE 59 2HD PHE 59 -5.610 8.497 2.439 455 HD2 PHE 59 1HD PHE 59 -6.517 4.332 3.002 456 HE1 PHE 59 2HE PHE 59 -4.621 7.972 0.231 457 HE2 PHE 59 1HE PHE 59 -5.535 3.816 0.831 458 HZ PHE 59 HZ PHE 59 -4.573 5.651 -0.580 459 H GLY 60 H GLY 60 -8.108 9.544 4.649 460 HA2 GLY 60 2HA GLY 60 -9.160 10.450 2.120 461 HA3 GLY 60 1HA GLY 60 -8.911 11.414 3.545 462 H ARG 61 H ARG 61 -7.989 12.516 1.225 463 HA ARG 61 HA ARG 61 -5.238 11.891 0.683 464 HB2 ARG 61 2HB ARG 61 -7.071 14.110 -0.224 465 HB3 ARG 61 1HB ARG 61 -5.386 14.009 -0.667 466 HG2 ARG 61 2HG ARG 61 -5.622 12.182 -2.014 467 HG3 ARG 61 1HG ARG 61 -6.940 11.498 -1.071 468 HD2 ARG 61 2HD ARG 61 -7.512 14.081 -2.461 469 HD3 ARG 61 1HD ARG 61 -7.306 12.694 -3.480 470 HE ARG 61 HE ARG 61 -9.152 11.639 -2.507 471 HH11 ARG 61 1HH2 ARG 61 -8.551 14.801 -1.146 472 HH12 ARG 61 2HH2 ARG 61 -9.998 14.856 -0.239 473 HH21 ARG 61 1HH1 ARG 61 -11.082 11.679 -1.250 474 HH22 ARG 61 2HH1 ARG 61 -11.468 13.040 -0.300 475 H GLY 62 H GLY 62 -3.504 13.163 1.100 476 HA2 GLY 62 2HA GLY 62 -2.388 15.055 2.039 477 HA3 GLY 62 1HA GLY 62 -3.785 15.384 3.056 478 H LYS 63 H LYS 63 -4.132 12.607 3.785 479 HA LYS 63 HA LYS 63 -2.445 12.478 6.065 480 HB2 LYS 63 2HB LYS 63 -4.365 10.493 4.837 481 HB3 LYS 63 1HB LYS 63 -3.444 10.141 6.302 482 HG2 LYS 63 2HG LYS 63 -4.366 12.116 7.402 483 HG3 LYS 63 1HG LYS 63 -5.298 12.526 5.949 484 HD2 LYS 63 2HD LYS 63 -6.608 10.470 6.196 485 HD3 LYS 63 1HD LYS 63 -5.593 9.960 7.551 486 HE2 LYS 63 2HE LYS 63 -7.810 11.007 8.239 487 HE3 LYS 63 1HE LYS 63 -6.390 11.743 8.940 488 HZ1 LYS 63 3HZ LYS 63 -7.421 12.883 6.403 489 HZ2 LYS 63 1HZ LYS 63 -6.618 13.637 7.682 490 HZ3 LYS 63 2HZ LYS 63 -8.210 13.208 7.858 491 H MET 64 H MET 64 -2.363 11.012 2.899 492 HA MET 64 HA MET 64 0.074 9.485 3.564 493 HB2 MET 64 2HB MET 64 -1.186 9.300 0.869 494 HB3 MET 64 1HB MET 64 -0.496 8.043 1.889 495 HG2 MET 64 2HG MET 64 -3.195 9.371 2.322 496 HG3 MET 64 1HG MET 64 -2.871 7.756 1.699 497 HE1 MET 64 3HE MET 64 -1.774 5.682 3.327 498 HE2 MET 64 1HE MET 64 -3.439 6.066 2.853 499 HE3 MET 64 2HE MET 64 -3.083 5.596 4.504 500 H VAL 65 H VAL 65 1.878 9.602 1.984 501 HA VAL 65 HA VAL 65 2.382 12.319 1.134 502 HB VAL 65 HB VAL 65 4.535 11.400 0.278 503 HG11 VAL 65 1HG1 VAL 65 4.227 12.131 2.678 504 HG12 VAL 65 2HG1 VAL 65 5.514 10.968 2.422 505 HG13 VAL 65 3HG1 VAL 65 3.972 10.435 3.089 506 HG21 VAL 65 3HG2 VAL 65 3.158 8.987 0.177 507 HG22 VAL 65 1HG2 VAL 65 4.192 8.778 1.588 508 HG23 VAL 65 2HG2 VAL 65 4.895 9.165 0.015 509 H LYS 66 H LYS 66 2.800 12.983 -1.055 510 HA LYS 66 HA LYS 66 0.830 12.448 -2.849 511 HB2 LYS 66 2HB LYS 66 3.601 13.530 -3.164 512 HB3 LYS 66 1HB LYS 66 2.742 13.068 -4.622 513 HG2 LYS 66 2HG LYS 66 0.849 14.489 -3.990 514 HG3 LYS 66 1HG LYS 66 1.685 14.973 -2.507 515 HD2 LYS 66 2HD LYS 66 3.185 16.332 -3.647 516 HD3 LYS 66 1HD LYS 66 3.165 15.331 -5.079 517 HE2 LYS 66 2HE LYS 66 2.040 17.606 -5.282 518 HE3 LYS 66 1HE LYS 66 1.086 16.234 -5.838 519 HZ1 LYS 66 3HZ LYS 66 0.523 18.088 -3.807 520 HZ2 LYS 66 1HZ LYS 66 0.585 16.577 -3.090 521 HZ3 LYS 66 2HZ LYS 66 -0.484 16.871 -4.375 522 HA PRO 67 HA PRO 67 3.679 9.116 -5.121 523 HB2 PRO 67 2HB PRO 67 4.906 8.029 -2.623 524 HB3 PRO 67 1HB PRO 67 5.584 8.160 -4.253 525 HG2 PRO 67 2HG PRO 67 6.350 9.823 -2.369 526 HG3 PRO 67 1HG PRO 67 6.109 10.408 -4.013 527 HD2 PRO 67 2HD PRO 67 4.399 10.824 -1.614 528 HD3 PRO 67 1HD PRO 67 4.682 11.883 -3.010 529 H PHE 68 H PHE 68 2.648 8.672 -1.780 530 HA PHE 68 HA PHE 68 1.642 6.032 -2.006 531 HB2 PHE 68 2HB PHE 68 2.134 7.245 0.154 532 HB3 PHE 68 1HB PHE 68 0.642 8.156 -0.091 533 HD1 PHE 68 2HD PHE 68 -1.551 6.910 -0.208 534 HD2 PHE 68 1HD PHE 68 2.150 4.995 0.874 535 HE1 PHE 68 2HE PHE 68 -2.796 4.979 0.731 536 HE2 PHE 68 1HE PHE 68 0.923 3.109 1.780 537 HZ PHE 68 HZ PHE 68 -1.564 3.080 1.714 538 H GLU 69 H GLU 69 0.085 9.212 -2.176 539 HA GLU 69 HA GLU 69 -2.512 8.207 -2.712 540 HB2 GLU 69 2HB GLU 69 -1.271 10.912 -3.254 541 HB3 GLU 69 1HB GLU 69 -2.955 10.567 -3.573 542 HG2 GLU 69 2HG GLU 69 -3.266 9.924 -1.152 543 HG3 GLU 69 1HG GLU 69 -1.574 10.319 -0.876 544 H ASP 70 H ASP 70 0.163 9.128 -4.740 545 HA ASP 70 HA ASP 70 -1.069 9.042 -7.254 546 HB2 ASP 70 2HB ASP 70 1.158 9.797 -7.162 547 HB3 ASP 70 1HB ASP 70 1.739 8.350 -6.369 548 H ALA 71 H ALA 71 0.534 6.474 -5.436 549 HA ALA 71 HA ALA 71 -0.141 4.399 -7.263 550 HB1 ALA 71 1HB ALA 71 1.285 3.275 -5.981 551 HB2 ALA 71 2HB ALA 71 0.117 3.281 -4.669 552 HB3 ALA 71 3HB ALA 71 1.299 4.583 -4.797 553 H ALA 72 H ALA 72 -1.683 5.594 -4.320 554 HA ALA 72 HA ALA 72 -3.589 3.601 -4.033 555 HB1 ALA 72 1HB ALA 72 -4.801 5.091 -2.642 556 HB2 ALA 72 2HB ALA 72 -4.062 6.515 -3.398 557 HB3 ALA 72 3HB ALA 72 -3.093 5.446 -2.391 558 H PHE 73 H PHE 73 -3.870 6.662 -5.829 559 HA PHE 73 HA PHE 73 -6.495 6.108 -6.770 560 HB2 PHE 73 2HB PHE 73 -4.398 8.073 -7.660 561 HB3 PHE 73 1HB PHE 73 -5.968 7.952 -8.462 562 HD1 PHE 73 1HD PHE 73 -8.055 8.071 -6.941 563 HD2 PHE 73 2HD PHE 73 -4.156 9.376 -5.708 564 HE1 PHE 73 1HE PHE 73 -9.074 9.409 -5.124 565 HE2 PHE 73 2HE PHE 73 -5.175 10.711 -3.902 566 HZ PHE 73 HZ PHE 73 -7.644 10.726 -3.609 567 H ARG 74 H ARG 74 -3.312 5.442 -7.993 568 HA ARG 74 HA ARG 74 -3.938 4.731 -10.627 569 HB2 ARG 74 2HB ARG 74 -1.700 3.928 -8.778 570 HB3 ARG 74 1HB ARG 74 -1.834 3.270 -10.400 571 HG2 ARG 74 2HG ARG 74 -1.578 5.413 -11.427 572 HG3 ARG 74 1HG ARG 74 -1.930 6.264 -9.950 573 HD2 ARG 74 2HD ARG 74 0.522 6.189 -10.656 574 HD3 ARG 74 1HD ARG 74 0.170 5.777 -8.997 575 HE ARG 74 HE ARG 74 0.264 3.471 -10.749 576 HH11 ARG 74 1HH2 ARG 74 2.180 5.769 -8.840 577 HH12 ARG 74 2HH2 ARG 74 3.431 4.637 -8.569 578 HH21 ARG 74 1HH1 ARG 74 2.014 1.973 -10.264 579 HH22 ARG 74 2HH1 ARG 74 3.333 2.539 -9.345 580 H LEU 75 H LEU 75 -3.988 2.794 -7.668 581 HA LEU 75 HA LEU 75 -4.616 0.400 -9.237 582 HB2 LEU 75 2HB LEU 75 -4.318 0.501 -6.255 583 HB3 LEU 75 1HB LEU 75 -4.270 -0.868 -7.314 584 HG LEU 75 HG LEU 75 -2.233 1.368 -7.425 585 HD11 LEU 75 1HD1 LEU 75 -2.461 -0.243 -5.380 586 HD12 LEU 75 2HD1 LEU 75 -0.891 0.074 -6.082 587 HD13 LEU 75 3HD1 LEU 75 -1.768 -1.416 -6.488 588 HD21 LEU 75 3HD2 LEU 75 -1.029 -0.153 -8.890 589 HD22 LEU 75 1HD2 LEU 75 -2.637 0.051 -9.568 590 HD23 LEU 75 2HD2 LEU 75 -2.232 -1.411 -8.671 591 H GLN 76 H GLN 76 -6.674 2.664 -8.528 592 HA GLN 76 HA GLN 76 -8.407 1.524 -6.722 593 HB2 GLN 76 2HB GLN 76 -9.088 3.284 -9.074 594 HB3 GLN 76 1HB GLN 76 -10.292 2.775 -7.889 595 HG2 GLN 76 2HG GLN 76 -8.813 3.715 -6.076 596 HG3 GLN 76 1HG GLN 76 -7.762 4.342 -7.341 597 HE21 GLN 76 1HE2 GLN 76 -8.677 6.362 -5.887 598 HE22 GLN 76 2HE2 GLN 76 -10.004 7.137 -6.600 599 H VAL 77 H VAL 77 -7.682 0.502 -9.877 600 HA VAL 77 HA VAL 77 -9.945 -1.052 -10.496 601 HB VAL 77 HB VAL 77 -8.156 -0.536 -12.123 602 HG11 VAL 77 1HG1 VAL 77 -6.325 -1.102 -10.257 603 HG12 VAL 77 2HG1 VAL 77 -5.995 -1.317 -11.973 604 HG13 VAL 77 3HG1 VAL 77 -6.426 -2.704 -11.000 605 HG21 VAL 77 3HG2 VAL 77 -8.021 -2.773 -13.141 606 HG22 VAL 77 1HG2 VAL 77 -9.642 -2.454 -12.543 607 HG23 VAL 77 2HG2 VAL 77 -8.561 -3.516 -11.642 608 H GLY 78 H GLY 78 -7.361 -1.556 -8.204 609 HA2 GLY 78 2HA GLY 78 -8.085 -3.168 -6.338 610 HA3 GLY 78 1HA GLY 78 -8.448 -4.238 -7.655 611 H GLU 79 H GLU 79 -5.842 -2.798 -8.763 612 HA GLU 79 HA GLU 79 -4.284 -5.177 -8.465 613 HB2 GLU 79 2HB GLU 79 -4.318 -2.874 -10.200 614 HB3 GLU 79 1HB GLU 79 -2.686 -3.212 -9.644 615 HG2 GLU 79 2HG GLU 79 -4.313 -5.567 -10.493 616 HG3 GLU 79 1HG GLU 79 -3.824 -4.440 -11.750 617 H VAL 80 H VAL 80 -1.860 -4.940 -8.224 618 HA VAL 80 HA VAL 80 -1.261 -3.686 -5.616 619 HB VAL 80 HB VAL 80 0.494 -5.531 -7.206 620 HG11 VAL 80 1HG1 VAL 80 1.631 -4.374 -5.395 621 HG12 VAL 80 2HG1 VAL 80 1.410 -6.054 -4.918 622 HG13 VAL 80 3HG1 VAL 80 0.351 -4.812 -4.264 623 HG21 VAL 80 3HG2 VAL 80 -0.308 -7.378 -5.817 624 HG22 VAL 80 1HG2 VAL 80 -1.588 -6.768 -6.858 625 HG23 VAL 80 2HG2 VAL 80 -1.576 -6.357 -5.125 626 H SER 81 H SER 81 0.160 -1.938 -5.565 627 HA SER 81 HA SER 81 0.790 -0.648 -8.005 628 HB2 SER 81 2HB SER 81 2.429 0.581 -6.266 629 HB3 SER 81 1HB SER 81 0.749 1.016 -6.396 630 HG SER 81 HG SER 81 0.383 -0.553 -4.675 631 H GLU 82 H GLU 82 2.778 -0.192 -8.886 632 HA GLU 82 HA GLU 82 4.841 -2.174 -8.801 633 HB2 GLU 82 2HB GLU 82 4.971 0.710 -9.726 634 HB3 GLU 82 1HB GLU 82 6.008 -0.605 -10.253 635 HG2 GLU 82 2HG GLU 82 4.552 -0.665 -12.013 636 HG3 GLU 82 1HG GLU 82 3.643 -1.679 -10.910 637 HA PRO 83 HA PRO 83 7.151 -0.566 -5.341 638 HB2 PRO 83 2HB PRO 83 9.190 0.604 -7.180 639 HB3 PRO 83 1HB PRO 83 9.427 -0.406 -5.740 640 HG2 PRO 83 2HG PRO 83 9.681 -1.440 -8.161 641 HG3 PRO 83 1HG PRO 83 8.929 -2.355 -6.838 642 HD2 PRO 83 2HD PRO 83 7.577 -1.177 -9.230 643 HD3 PRO 83 1HD PRO 83 7.096 -2.529 -8.193 644 H VAL 84 H VAL 84 6.711 1.284 -4.200 645 HA VAL 84 HA VAL 84 6.448 3.839 -5.669 646 HB VAL 84 HB VAL 84 4.883 2.696 -3.347 647 HG11 VAL 84 1HG1 VAL 84 5.205 4.950 -2.714 648 HG12 VAL 84 2HG1 VAL 84 3.630 4.920 -3.495 649 HG13 VAL 84 3HG1 VAL 84 5.024 5.546 -4.368 650 HG21 VAL 84 3HG2 VAL 84 4.332 2.202 -5.840 651 HG22 VAL 84 1HG2 VAL 84 3.794 3.884 -5.895 652 HG23 VAL 84 2HG2 VAL 84 3.036 2.743 -4.777 653 H LYS 85 H LYS 85 7.767 5.432 -4.930 654 HA LYS 85 HA LYS 85 9.085 4.915 -2.349 655 HB2 LYS 85 2HB LYS 85 10.723 4.975 -4.172 656 HB3 LYS 85 1HB LYS 85 10.144 6.602 -4.606 657 HG2 LYS 85 2HG LYS 85 10.713 7.457 -2.419 658 HG3 LYS 85 1HG LYS 85 11.208 5.855 -1.863 659 HD2 LYS 85 2HD LYS 85 13.033 5.889 -3.529 660 HD3 LYS 85 1HD LYS 85 12.553 7.514 -4.035 661 HE2 LYS 85 2HE LYS 85 13.467 6.649 -1.284 662 HE3 LYS 85 1HE LYS 85 14.347 7.707 -2.375 663 HZ1 LYS 85 3HZ LYS 85 12.221 9.194 -2.208 664 HZ2 LYS 85 1HZ LYS 85 13.296 9.154 -0.919 665 HZ3 LYS 85 2HZ LYS 85 11.849 8.286 -0.844 666 H SER 86 H SER 86 8.947 6.215 -0.763 667 HA SER 86 HA SER 86 7.787 8.890 -1.182 668 HB2 SER 86 2HB SER 86 6.831 8.742 0.991 669 HB3 SER 86 1HB SER 86 6.369 7.273 0.156 670 HG SER 86 HG SER 86 7.258 6.325 1.816 671 H GLU 87 H GLU 87 8.501 10.008 1.128 672 HA GLU 87 HA GLU 87 11.360 10.279 0.979 673 HB2 GLU 87 2HB GLU 87 9.782 12.108 1.803 674 HB3 GLU 87 1HB GLU 87 9.557 11.163 3.271 675 HG2 GLU 87 2HG GLU 87 11.987 11.203 3.703 676 HG3 GLU 87 1HG GLU 87 12.205 12.093 2.207 677 H PHE 88 H PHE 88 9.011 8.534 2.818 678 HA PHE 88 HA PHE 88 10.589 7.594 4.954 679 HB2 PHE 88 2HB PHE 88 8.248 6.190 3.664 680 HB3 PHE 88 1HB PHE 88 8.826 5.954 5.290 681 HD1 PHE 88 2HD PHE 88 9.414 9.268 5.287 682 HD2 PHE 88 1HD PHE 88 6.003 6.655 4.845 683 HE1 PHE 88 2HE PHE 88 7.937 11.060 6.054 684 HE2 PHE 88 1HE PHE 88 4.531 8.481 5.623 685 HZ PHE 88 HZ PHE 88 5.487 10.687 6.231 686 H GLY 89 H GLY 89 9.818 6.179 1.780 687 HA2 GLY 89 2HA GLY 89 12.121 4.897 1.171 688 HA3 GLY 89 1HA GLY 89 11.375 3.803 2.337 689 H TYR 90 H TYR 90 10.868 2.118 0.922 690 HA TYR 90 HA TYR 90 9.232 2.801 -1.387 691 HB2 TYR 90 2HB TYR 90 11.001 0.477 -0.751 692 HB3 TYR 90 1HB TYR 90 9.665 0.271 -1.869 693 HD1 TYR 90 2HD TYR 90 9.478 1.677 -3.907 694 HD2 TYR 90 1HD TYR 90 12.971 1.766 -1.393 695 HE1 TYR 90 2HE TYR 90 10.743 2.734 -5.717 696 HE2 TYR 90 1HE TYR 90 14.246 2.840 -3.213 697 HH TYR 90 HH TYR 90 13.271 2.801 -6.345 698 H HIS 91 H HIS 91 7.207 2.182 -1.574 699 HA HIS 91 HA HIS 91 5.996 0.438 0.496 700 HB2 HIS 91 2HB HIS 91 4.562 2.571 -1.093 701 HB3 HIS 91 1HB HIS 91 3.955 1.625 0.262 702 HD1 HIS 91 1HD HIS 91 4.093 2.747 2.477 703 HD2 HIS 91 2HD HIS 91 6.807 4.364 -0.238 704 HE1 HIS 91 1HE HIS 91 5.156 4.723 3.638 705 H VAL 92 H VAL 92 4.505 -0.999 -0.197 706 HA VAL 92 HA VAL 92 3.948 -1.166 -3.078 707 HB VAL 92 HB VAL 92 4.218 -3.476 -1.108 708 HG11 VAL 92 1HG1 VAL 92 3.551 -4.911 -2.994 709 HG12 VAL 92 2HG1 VAL 92 3.259 -3.484 -3.983 710 HG13 VAL 92 3HG1 VAL 92 2.249 -3.803 -2.574 711 HG21 VAL 92 3HG2 VAL 92 5.687 -4.036 -3.401 712 HG22 VAL 92 1HG2 VAL 92 6.335 -3.416 -1.884 713 HG23 VAL 92 2HG2 VAL 92 5.935 -2.304 -3.189 714 H ILE 93 H ILE 93 1.841 -0.741 -3.427 715 HA ILE 93 HA ILE 93 0.066 -0.762 -1.076 716 HB ILE 93 HB ILE 93 0.257 1.156 -3.404 717 HG12 ILE 93 2HG1 ILE 93 0.687 1.687 -0.458 718 HG13 ILE 93 1HG1 ILE 93 2.032 1.265 -1.517 719 HG21 ILE 93 1HG2 ILE 93 -2.069 1.039 -2.768 720 HG22 ILE 93 2HG2 ILE 93 -1.423 2.464 -1.963 721 HG23 ILE 93 3HG2 ILE 93 -1.655 0.976 -1.057 722 HD11 ILE 93 3HD1 ILE 93 1.454 3.161 -2.953 723 HD12 ILE 93 1HD1 ILE 93 1.871 3.663 -1.324 724 HD13 ILE 93 2HD1 ILE 93 0.179 3.648 -1.815 725 H LYS 94 H LYS 94 -1.845 -1.806 -1.315 726 HA LYS 94 HA LYS 94 -2.741 -2.398 -4.070 727 HB2 LYS 94 2HB LYS 94 -1.955 -4.492 -2.943 728 HB3 LYS 94 1HB LYS 94 -3.170 -4.214 -1.687 729 HG2 LYS 94 2HG LYS 94 -4.950 -4.203 -3.415 730 HG3 LYS 94 1HG LYS 94 -3.735 -4.528 -4.651 731 HD2 LYS 94 2HD LYS 94 -3.206 -6.686 -3.525 732 HD3 LYS 94 1HD LYS 94 -4.449 -6.367 -2.324 733 HE2 LYS 94 2HE LYS 94 -4.803 -6.882 -5.274 734 HE3 LYS 94 1HE LYS 94 -5.537 -7.724 -3.914 735 HZ1 LYS 94 3HZ LYS 94 -7.255 -6.424 -4.408 736 HZ2 LYS 94 1HZ LYS 94 -6.332 -5.339 -5.274 737 HZ3 LYS 94 2HZ LYS 94 -6.500 -5.187 -3.554 738 H ARG 95 H ARG 95 -5.009 -2.388 -4.369 739 HA ARG 95 HA ARG 95 -6.413 -0.660 -2.518 740 HB2 ARG 95 2HB ARG 95 -6.880 -0.494 -4.968 741 HB3 ARG 95 1HB ARG 95 -7.495 -2.145 -4.915 742 HG2 ARG 95 2HG ARG 95 -9.180 -1.485 -3.193 743 HG3 ARG 95 1HG ARG 95 -8.595 0.175 -3.297 744 HD2 ARG 95 2HD ARG 95 -9.302 0.287 -5.633 745 HD3 ARG 95 1HD ARG 95 -9.845 -1.385 -5.575 746 HE ARG 95 HE ARG 95 -11.046 0.033 -3.468 747 HH11 ARG 95 1HH2 ARG 95 -11.103 -0.147 -6.991 748 HH12 ARG 95 2HH2 ARG 95 -12.743 0.310 -7.095 749 HH21 ARG 95 1HH1 ARG 95 -13.231 0.695 -3.668 750 HH22 ARG 95 2HH1 ARG 95 -13.960 0.816 -5.207 751 H LEU 96 H LEU 96 -7.932 -1.261 -1.100 752 HA LEU 96 HA LEU 96 -8.488 -4.131 -0.754 753 HB2 LEU 96 2HB LEU 96 -7.009 -3.391 1.025 754 HB3 LEU 96 1HB LEU 96 -8.010 -1.975 1.323 755 HG LEU 96 HG LEU 96 -9.912 -3.509 1.917 756 HD11 LEU 96 1HD1 LEU 96 -9.104 -5.876 2.558 757 HD12 LEU 96 2HD1 LEU 96 -7.804 -5.605 1.408 758 HD13 LEU 96 3HD1 LEU 96 -9.501 -5.528 0.885 759 HD21 LEU 96 3HD2 LEU 96 -8.183 -2.528 3.579 760 HD22 LEU 96 1HD2 LEU 96 -7.474 -4.139 3.600 761 HD23 LEU 96 2HD2 LEU 96 -9.128 -3.918 4.141 762 H GLY 97 H GLY 97 -10.609 -4.580 -0.780 763 HA2 GLY 97 2HA GLY 97 -12.429 -2.409 -1.296 764 HA3 GLY 97 1HA GLY 97 -12.755 -4.125 -1.462 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -22.856 0.107 3.756 2 HA2 GLY 1 2HA GLY 1 -21.128 -2.165 3.551 3 HA3 GLY 1 1HA GLY 1 -20.282 -0.666 3.205 4 HA PRO 2 HA PRO 2 -20.584 -1.537 7.896 5 HB2 PRO 2 2HB PRO 2 -17.646 -1.228 7.626 6 HB3 PRO 2 1HB PRO 2 -18.579 -2.415 8.545 7 HG2 PRO 2 2HG PRO 2 -17.348 -3.155 6.334 8 HG3 PRO 2 1HG PRO 2 -18.979 -3.761 6.692 9 HD2 PRO 2 2HD PRO 2 -18.152 -1.576 4.799 10 HD3 PRO 2 1HD PRO 2 -19.352 -2.881 4.566 11 H MET 3 H MET 3 -20.462 0.169 9.394 12 HA MET 3 HA MET 3 -20.397 2.816 8.434 13 HB2 MET 3 2HB MET 3 -20.071 1.763 11.262 14 HB3 MET 3 1HB MET 3 -20.278 3.455 10.851 15 HG2 MET 3 2HG MET 3 -22.277 1.277 10.130 16 HG3 MET 3 1HG MET 3 -22.420 2.374 11.489 17 HE1 MET 3 3HE MET 3 -24.039 1.952 8.184 18 HE2 MET 3 1HE MET 3 -22.314 1.779 7.834 19 HE3 MET 3 2HE MET 3 -23.235 3.078 7.107 20 H GLY 4 H GLY 4 -18.808 4.361 8.426 21 HA2 GLY 4 2HA GLY 4 -16.630 5.206 8.940 22 HA3 GLY 4 1HA GLY 4 -16.080 3.566 9.236 23 H SER 5 H SER 5 -17.825 2.908 6.719 24 HA SER 5 HA SER 5 -15.645 3.025 4.865 25 HB2 SER 5 2HB SER 5 -18.519 2.289 4.274 26 HB3 SER 5 1HB SER 5 -17.110 1.884 3.326 27 HG SER 5 HG SER 5 -18.004 0.867 5.811 28 H MET 6 H MET 6 -15.059 4.861 4.025 29 HA MET 6 HA MET 6 -17.115 6.828 3.225 30 HB2 MET 6 2HB MET 6 -14.223 7.119 3.962 31 HB3 MET 6 1HB MET 6 -15.183 8.438 3.306 32 HG2 MET 6 2HG MET 6 -16.806 8.175 5.191 33 HG3 MET 6 1HG MET 6 -15.780 6.910 5.868 34 HE1 MET 6 3HE MET 6 -15.137 9.726 8.373 35 HE2 MET 6 1HE MET 6 -15.294 7.973 8.155 36 HE3 MET 6 2HE MET 6 -16.585 9.046 7.655 37 H ALA 7 H ALA 7 -17.500 6.892 1.163 38 HA ALA 7 HA ALA 7 -15.976 5.529 -0.793 39 HB1 ALA 7 1HB ALA 7 -18.369 5.905 -1.083 40 HB2 ALA 7 2HB ALA 7 -17.428 6.564 -2.435 41 HB3 ALA 7 3HB ALA 7 -18.084 7.653 -1.221 42 H ASP 8 H ASP 8 -15.979 8.851 0.215 43 HA ASP 8 HA ASP 8 -14.528 9.839 -2.022 44 HB2 ASP 8 2HB ASP 8 -14.401 11.875 -0.921 45 HB3 ASP 8 1HB ASP 8 -15.926 11.164 -0.360 46 H LYS 9 H LYS 9 -13.578 7.806 0.358 47 HA LYS 9 HA LYS 9 -10.784 8.701 0.349 48 HB2 LYS 9 2HB LYS 9 -12.383 7.027 2.276 49 HB3 LYS 9 1HB LYS 9 -10.653 7.356 2.438 50 HG2 LYS 9 2HG LYS 9 -11.042 9.756 2.461 51 HG3 LYS 9 1HG LYS 9 -12.766 9.506 2.218 52 HD2 LYS 9 2HD LYS 9 -12.846 8.327 4.452 53 HD3 LYS 9 1HD LYS 9 -11.135 8.676 4.600 54 HE2 LYS 9 2HE LYS 9 -12.451 10.365 5.786 55 HE3 LYS 9 1HE LYS 9 -11.527 11.055 4.455 56 HZ1 LYS 9 3HZ LYS 9 -14.419 10.722 4.746 57 HZ2 LYS 9 1HZ LYS 9 -13.865 10.591 3.164 58 HZ3 LYS 9 2HZ LYS 9 -13.587 11.980 4.084 59 H ILE 10 H ILE 10 -9.288 6.784 0.670 60 HA ILE 10 HA ILE 10 -9.829 4.983 -1.582 61 HB ILE 10 HB ILE 10 -7.206 5.554 -0.173 62 HG12 ILE 10 2HG1 ILE 10 -8.225 6.693 -2.751 63 HG13 ILE 10 1HG1 ILE 10 -8.291 7.621 -1.250 64 HG21 ILE 10 1HG2 ILE 10 -6.200 4.593 -2.146 65 HG22 ILE 10 2HG2 ILE 10 -7.760 4.486 -2.948 66 HG23 ILE 10 3HG2 ILE 10 -7.410 3.452 -1.560 67 HD11 ILE 10 3HD1 ILE 10 -6.069 8.100 -1.352 68 HD12 ILE 10 1HD1 ILE 10 -6.191 7.614 -3.036 69 HD13 ILE 10 2HD1 ILE 10 -5.634 6.463 -1.826 70 H LYS 11 H LYS 11 -10.152 2.874 -1.152 71 HA LYS 11 HA LYS 11 -9.573 1.834 1.525 72 HB2 LYS 11 2HB LYS 11 -10.989 0.548 -0.834 73 HB3 LYS 11 1HB LYS 11 -10.728 -0.163 0.752 74 HG2 LYS 11 2HG LYS 11 -12.046 1.494 1.832 75 HG3 LYS 11 1HG LYS 11 -12.233 2.455 0.359 76 HD2 LYS 11 2HD LYS 11 -14.259 1.185 0.569 77 HD3 LYS 11 1HD LYS 11 -13.309 0.443 -0.692 78 HE2 LYS 11 2HE LYS 11 -12.500 -1.289 0.774 79 HE3 LYS 11 1HE LYS 11 -13.266 -0.587 2.177 80 HZ1 LYS 11 3HZ LYS 11 -14.273 -2.204 0.106 81 HZ2 LYS 11 1HZ LYS 11 -15.308 -0.894 0.337 82 HZ3 LYS 11 2HZ LYS 11 -14.967 -1.962 1.631 83 H CYS 12 H CYS 12 -7.396 1.353 1.619 84 HA CYS 12 HA CYS 12 -6.372 -0.448 -0.439 85 HB2 CYS 12 2HB CYS 12 -5.024 0.978 -1.459 86 HB3 CYS 12 1HB CYS 12 -5.810 2.292 -0.597 87 HG CYS 12 HG CYS 12 -3.124 0.937 0.244 88 H SER 13 H SER 13 -4.246 -1.235 -0.042 89 HA SER 13 HA SER 13 -3.625 -1.517 2.785 90 HB2 SER 13 2HB SER 13 -3.367 -3.742 0.763 91 HB3 SER 13 1HB SER 13 -3.275 -3.853 2.515 92 HG SER 13 HG SER 13 -5.359 -4.497 1.714 93 H HIS 14 H HIS 14 -1.415 -1.278 3.224 94 HA HIS 14 HA HIS 14 0.342 -1.161 0.860 95 HB2 HIS 14 2HB HIS 14 0.832 0.963 1.101 96 HB3 HIS 14 1HB HIS 14 -0.524 1.067 2.221 97 HD2 HIS 14 2HD HIS 14 0.579 0.178 5.032 98 HE1 HIS 14 1HE HIS 14 4.136 2.342 4.283 99 HE2 HIS 14 2HE HIS 14 2.732 1.232 6.085 100 H ILE 15 H ILE 15 2.464 -1.576 1.098 101 HA ILE 15 HA ILE 15 3.361 -2.725 3.658 102 HB ILE 15 HB ILE 15 3.760 -3.853 0.872 103 HG12 ILE 15 2HG1 ILE 15 2.527 -5.114 3.321 104 HG13 ILE 15 1HG1 ILE 15 1.567 -4.281 2.135 105 HG21 ILE 15 1HG2 ILE 15 5.661 -4.765 1.657 106 HG22 ILE 15 2HG2 ILE 15 4.682 -5.677 2.781 107 HG23 ILE 15 3HG2 ILE 15 5.383 -4.140 3.285 108 HD11 ILE 15 3HD1 ILE 15 1.694 -6.764 1.785 109 HD12 ILE 15 1HD1 ILE 15 3.420 -6.590 1.460 110 HD13 ILE 15 2HD1 ILE 15 2.238 -5.828 0.392 111 H LEU 16 H LEU 16 5.191 -1.826 4.325 112 HA LEU 16 HA LEU 16 6.684 -0.125 2.441 113 HB2 LEU 16 2HB LEU 16 5.902 0.804 4.676 114 HB3 LEU 16 1HB LEU 16 6.981 -0.329 5.441 115 HG LEU 16 HG LEU 16 8.933 0.634 4.235 116 HD11 LEU 16 1HD1 LEU 16 8.628 1.875 2.430 117 HD12 LEU 16 2HD1 LEU 16 7.896 3.136 3.405 118 HD13 LEU 16 3HD1 LEU 16 6.883 1.919 2.657 119 HD21 LEU 16 3HD2 LEU 16 7.758 1.626 6.483 120 HD22 LEU 16 1HD2 LEU 16 7.649 3.041 5.442 121 HD23 LEU 16 2HD2 LEU 16 9.211 2.319 5.777 122 H VAL 17 H VAL 17 8.517 -0.856 1.608 123 HA VAL 17 HA VAL 17 9.979 -2.964 3.040 124 HB VAL 17 HB VAL 17 10.526 -3.960 0.862 125 HG11 VAL 17 1HG1 VAL 17 8.301 -4.987 0.486 126 HG12 VAL 17 2HG1 VAL 17 7.552 -3.708 1.428 127 HG13 VAL 17 3HG1 VAL 17 8.662 -4.847 2.207 128 HG21 VAL 17 3HG2 VAL 17 8.410 -2.046 -0.201 129 HG22 VAL 17 1HG2 VAL 17 9.219 -3.320 -1.107 130 HG23 VAL 17 2HG2 VAL 17 10.150 -1.955 -0.546 131 H LYS 18 H LYS 18 12.152 -3.084 2.603 132 HA LYS 18 HA LYS 18 13.501 -0.594 2.627 133 HB2 LYS 18 2HB LYS 18 14.582 -3.409 2.261 134 HB3 LYS 18 1HB LYS 18 15.520 -1.970 2.567 135 HG2 LYS 18 2HG LYS 18 14.515 -1.587 4.705 136 HG3 LYS 18 1HG LYS 18 13.303 -2.839 4.457 137 HD2 LYS 18 2HD LYS 18 16.126 -3.749 4.203 138 HD3 LYS 18 1HD LYS 18 15.611 -3.245 5.815 139 HE2 LYS 18 2HE LYS 18 15.185 -5.667 5.455 140 HE3 LYS 18 1HE LYS 18 13.706 -4.752 5.727 141 HZ1 LYS 18 3HZ LYS 18 13.280 -6.156 3.913 142 HZ2 LYS 18 1HZ LYS 18 14.682 -5.840 3.096 143 HZ3 LYS 18 2HZ LYS 18 13.485 -4.704 3.147 144 H LYS 19 H LYS 19 13.116 -3.131 0.212 145 HA LYS 19 HA LYS 19 14.630 -1.471 -1.734 146 HB2 LYS 19 2HB LYS 19 14.449 -4.462 -1.448 147 HB3 LYS 19 1HB LYS 19 15.347 -3.592 -2.688 148 HG2 LYS 19 2HG LYS 19 16.681 -2.459 -0.904 149 HG3 LYS 19 1HG LYS 19 15.793 -3.356 0.300 150 HD2 LYS 19 2HD LYS 19 16.559 -5.494 -0.675 151 HD3 LYS 19 1HD LYS 19 17.559 -4.612 -1.833 152 HE2 LYS 19 2HE LYS 19 17.789 -4.353 1.189 153 HE3 LYS 19 1HE LYS 19 18.820 -5.373 0.201 154 HZ1 LYS 19 3HZ LYS 19 20.025 -3.613 -0.449 155 HZ2 LYS 19 1HZ LYS 19 19.272 -2.730 0.750 156 HZ3 LYS 19 2HZ LYS 19 18.708 -2.692 -0.846 157 H GLN 20 H GLN 20 14.136 -1.590 -3.886 158 HA GLN 20 HA GLN 20 11.407 -1.575 -4.642 159 HB2 GLN 20 2HB GLN 20 13.188 -0.368 -5.885 160 HB3 GLN 20 1HB GLN 20 13.881 -1.914 -6.372 161 HG2 GLN 20 2HG GLN 20 11.784 -2.477 -7.554 162 HG3 GLN 20 1HG GLN 20 11.097 -0.937 -7.039 163 HE21 GLN 20 1HE2 GLN 20 11.479 -1.675 -9.841 164 HE22 GLN 20 2HE2 GLN 20 12.582 -0.566 -10.475 165 H GLY 21 H GLY 21 14.001 -3.977 -4.863 166 HA2 GLY 21 2HA GLY 21 12.615 -5.961 -6.308 167 HA3 GLY 21 1HA GLY 21 13.996 -6.251 -5.243 168 H GLU 22 H GLU 22 12.810 -5.269 -2.871 169 HA GLU 22 HA GLU 22 11.420 -7.564 -1.964 170 HB2 GLU 22 2HB GLU 22 11.709 -4.784 -0.789 171 HB3 GLU 22 1HB GLU 22 10.982 -6.155 0.028 172 HG2 GLU 22 2HG GLU 22 13.017 -7.431 -0.055 173 HG3 GLU 22 1HG GLU 22 13.819 -6.250 -1.064 174 H ALA 23 H ALA 23 10.444 -4.320 -2.915 175 HA ALA 23 HA ALA 23 7.678 -4.606 -2.384 176 HB1 ALA 23 1HB ALA 23 9.341 -2.729 -3.984 177 HB2 ALA 23 2HB ALA 23 8.110 -2.394 -2.766 178 HB3 ALA 23 3HB ALA 23 7.632 -2.831 -4.404 179 H LEU 24 H LEU 24 9.622 -5.233 -5.267 180 HA LEU 24 HA LEU 24 7.466 -6.054 -6.938 181 HB2 LEU 24 2HB LEU 24 10.397 -6.801 -6.972 182 HB3 LEU 24 1HB LEU 24 9.243 -7.267 -8.215 183 HG LEU 24 HG LEU 24 9.764 -4.374 -7.424 184 HD11 LEU 24 1HD1 LEU 24 11.781 -5.236 -8.374 185 HD12 LEU 24 2HD1 LEU 24 10.952 -4.311 -9.643 186 HD13 LEU 24 3HD1 LEU 24 10.869 -6.073 -9.629 187 HD21 LEU 24 3HD2 LEU 24 8.371 -5.638 -9.815 188 HD22 LEU 24 1HD2 LEU 24 8.618 -3.920 -9.581 189 HD23 LEU 24 2HD2 LEU 24 7.537 -4.793 -8.508 190 H ALA 25 H ALA 25 9.600 -7.739 -4.725 191 HA ALA 25 HA ALA 25 8.867 -10.361 -5.267 192 HB1 ALA 25 1HB ALA 25 10.633 -9.302 -3.588 193 HB2 ALA 25 2HB ALA 25 10.033 -10.946 -3.392 194 HB3 ALA 25 3HB ALA 25 9.353 -9.636 -2.423 195 H VAL 26 H VAL 26 7.367 -8.036 -3.011 196 HA VAL 26 HA VAL 26 5.400 -9.955 -2.160 197 HB VAL 26 HB VAL 26 4.312 -8.117 -1.026 198 HG11 VAL 26 1HG1 VAL 26 7.183 -7.469 -0.569 199 HG12 VAL 26 2HG1 VAL 26 6.674 -9.144 -0.352 200 HG13 VAL 26 3HG1 VAL 26 5.915 -7.863 0.593 201 HG21 VAL 26 3HG2 VAL 26 4.795 -6.417 -2.909 202 HG22 VAL 26 1HG2 VAL 26 6.402 -6.274 -2.190 203 HG23 VAL 26 2HG2 VAL 26 4.974 -5.829 -1.265 204 H GLN 27 H GLN 27 5.662 -7.455 -4.589 205 HA GLN 27 HA GLN 27 2.982 -7.323 -5.314 206 HB2 GLN 27 2HB GLN 27 4.774 -5.825 -6.167 207 HB3 GLN 27 1HB GLN 27 5.368 -7.127 -7.196 208 HG2 GLN 27 2HG GLN 27 3.056 -7.286 -8.199 209 HG3 GLN 27 1HG GLN 27 2.675 -5.908 -7.134 210 HE21 GLN 27 1HE2 GLN 27 2.687 -3.993 -8.306 211 HE22 GLN 27 2HE2 GLN 27 3.778 -3.626 -9.547 212 H GLU 28 H GLU 28 5.592 -9.393 -6.395 213 HA GLU 28 HA GLU 28 4.070 -11.016 -8.187 214 HB2 GLU 28 2HB GLU 28 6.665 -11.496 -6.697 215 HB3 GLU 28 1HB GLU 28 6.010 -12.589 -7.933 216 HG2 GLU 28 2HG GLU 28 6.096 -10.806 -9.608 217 HG3 GLU 28 1HG GLU 28 6.604 -9.658 -8.376 218 H ARG 29 H ARG 29 4.980 -11.245 -4.785 219 HA ARG 29 HA ARG 29 4.013 -13.820 -4.271 220 HB2 ARG 29 2HB ARG 29 5.451 -12.278 -2.733 221 HB3 ARG 29 1HB ARG 29 3.916 -11.602 -2.222 222 HG2 ARG 29 2HG ARG 29 4.373 -13.316 -0.665 223 HG3 ARG 29 1HG ARG 29 3.160 -14.016 -1.740 224 HD2 ARG 29 2HD ARG 29 5.215 -14.927 -3.087 225 HD3 ARG 29 1HD ARG 29 6.131 -14.538 -1.646 226 HE ARG 29 HE ARG 29 3.918 -16.014 -0.814 227 HH11 ARG 29 1HH2 ARG 29 6.767 -16.367 -2.815 228 HH12 ARG 29 2HH2 ARG 29 6.883 -18.064 -2.606 229 HH21 ARG 29 1HH1 ARG 29 4.056 -18.278 -0.563 230 HH22 ARG 29 2HH1 ARG 29 5.349 -19.174 -1.285 231 H LEU 30 H LEU 30 2.377 -10.683 -4.201 232 HA LEU 30 HA LEU 30 -0.093 -11.618 -3.186 233 HB2 LEU 30 2HB LEU 30 0.849 -9.211 -4.664 234 HB3 LEU 30 1HB LEU 30 -0.869 -9.508 -4.659 235 HG LEU 30 HG LEU 30 0.121 -8.056 -2.764 236 HD11 LEU 30 1HD1 LEU 30 -1.580 -8.781 -1.276 237 HD12 LEU 30 2HD1 LEU 30 -1.570 -10.411 -1.918 238 HD13 LEU 30 3HD1 LEU 30 -2.201 -9.080 -2.895 239 HD21 LEU 30 3HD2 LEU 30 1.895 -9.994 -2.275 240 HD22 LEU 30 1HD2 LEU 30 0.570 -10.671 -1.328 241 HD23 LEU 30 2HD2 LEU 30 1.196 -9.077 -0.960 242 H LYS 31 H LYS 31 1.230 -11.349 -6.439 243 HA LYS 31 HA LYS 31 -1.160 -12.321 -7.669 244 HB2 LYS 31 2HB LYS 31 1.635 -12.463 -8.809 245 HB3 LYS 31 1HB LYS 31 0.121 -12.518 -9.700 246 HG2 LYS 31 2HG LYS 31 1.385 -10.140 -8.317 247 HG3 LYS 31 1HG LYS 31 0.883 -10.291 -9.980 248 HD2 LYS 31 2HD LYS 31 -1.551 -10.520 -9.084 249 HD3 LYS 31 1HD LYS 31 -0.897 -10.068 -7.547 250 HE2 LYS 31 2HE LYS 31 -1.704 -8.035 -8.572 251 HE3 LYS 31 1HE LYS 31 0.046 -7.961 -8.523 252 HZ1 LYS 31 3HZ LYS 31 -1.522 -7.627 -10.729 253 HZ2 LYS 31 1HZ LYS 31 -0.878 -9.187 -10.958 254 HZ3 LYS 31 2HZ LYS 31 0.134 -7.845 -10.696 255 H ALA 32 H ALA 32 1.129 -13.826 -5.694 256 HA ALA 32 HA ALA 32 0.894 -16.460 -6.858 257 HB1 ALA 32 1HB ALA 32 1.636 -16.053 -3.984 258 HB2 ALA 32 2HB ALA 32 2.755 -15.478 -5.203 259 HB3 ALA 32 3HB ALA 32 2.298 -17.171 -5.166 260 H GLY 33 H GLY 33 -1.099 -14.374 -5.119 261 HA2 GLY 33 2HA GLY 33 -3.338 -14.803 -4.560 262 HA3 GLY 33 1HA GLY 33 -3.014 -16.522 -4.586 263 H GLU 34 H GLU 34 -0.625 -14.819 -2.887 264 HA GLU 34 HA GLU 34 -1.706 -15.794 -0.363 265 HB2 GLU 34 2HB GLU 34 0.979 -14.515 -0.996 266 HB3 GLU 34 1HB GLU 34 0.485 -15.062 0.592 267 HG2 GLU 34 2HG GLU 34 0.034 -17.384 -0.509 268 HG3 GLU 34 1HG GLU 34 0.827 -16.714 -1.890 269 H LYS 35 H LYS 35 -1.872 -14.402 1.491 270 HA LYS 35 HA LYS 35 -3.403 -12.129 0.846 271 HB2 LYS 35 2HB LYS 35 -2.455 -13.304 3.419 272 HB3 LYS 35 1HB LYS 35 -3.177 -11.693 3.421 273 HG2 LYS 35 2HG LYS 35 -5.147 -12.569 2.327 274 HG3 LYS 35 1HG LYS 35 -4.440 -14.188 2.274 275 HD2 LYS 35 2HD LYS 35 -4.313 -14.266 4.726 276 HD3 LYS 35 1HD LYS 35 -4.957 -12.634 4.854 277 HE2 LYS 35 2HE LYS 35 -6.433 -14.921 3.538 278 HE3 LYS 35 1HE LYS 35 -6.657 -14.447 5.219 279 HZ1 LYS 35 3HZ LYS 35 -6.839 -12.103 3.788 280 HZ2 LYS 35 1HZ LYS 35 -8.099 -12.964 4.504 281 HZ3 LYS 35 2HZ LYS 35 -7.719 -13.235 2.875 282 H PHE 36 H PHE 36 -3.087 -10.069 0.915 283 HA PHE 36 HA PHE 36 -0.573 -8.841 0.558 284 HB2 PHE 36 2HB PHE 36 -2.932 -7.970 -0.052 285 HB3 PHE 36 1HB PHE 36 -3.091 -7.572 1.625 286 HD1 PHE 36 1HD PHE 36 -1.065 -6.809 -1.397 287 HD2 PHE 36 2HD PHE 36 -1.949 -5.748 2.672 288 HE1 PHE 36 1HE PHE 36 0.197 -4.714 -1.676 289 HE2 PHE 36 2HE PHE 36 -0.678 -3.626 2.367 290 HZ PHE 36 HZ PHE 36 0.397 -3.130 0.195 291 H GLY 37 H GLY 37 -2.801 -9.134 3.279 292 HA2 GLY 37 2HA GLY 37 -1.253 -7.747 5.157 293 HA3 GLY 37 1HA GLY 37 -2.533 -8.920 5.534 294 H LYS 38 H LYS 38 -1.206 -11.089 4.116 295 HA LYS 38 HA LYS 38 0.349 -12.129 6.239 296 HB2 LYS 38 2HB LYS 38 -0.835 -13.353 4.282 297 HB3 LYS 38 1HB LYS 38 0.657 -13.063 3.381 298 HG2 LYS 38 2HG LYS 38 1.927 -14.216 5.063 299 HG3 LYS 38 1HG LYS 38 0.502 -14.453 6.083 300 HD2 LYS 38 2HD LYS 38 -0.543 -15.700 4.101 301 HD3 LYS 38 1HD LYS 38 1.034 -15.643 3.332 302 HE2 LYS 38 2HE LYS 38 0.374 -16.953 5.980 303 HE3 LYS 38 1HE LYS 38 0.726 -17.764 4.477 304 HZ1 LYS 38 3HZ LYS 38 2.602 -17.474 6.185 305 HZ2 LYS 38 1HZ LYS 38 2.790 -15.905 5.645 306 HZ3 LYS 38 2HZ LYS 38 2.976 -17.192 4.584 307 H LEU 39 H LEU 39 1.212 -10.794 3.080 308 HA LEU 39 HA LEU 39 4.030 -10.797 3.479 309 HB2 LEU 39 2HB LEU 39 2.191 -9.281 1.634 310 HB3 LEU 39 1HB LEU 39 3.886 -8.863 1.743 311 HG LEU 39 HG LEU 39 3.383 -10.530 -0.088 312 HD11 LEU 39 1HD1 LEU 39 5.178 -11.890 1.888 313 HD12 LEU 39 2HD1 LEU 39 5.600 -10.273 1.373 314 HD13 LEU 39 3HD1 LEU 39 5.428 -11.569 0.178 315 HD21 LEU 39 3HD2 LEU 39 2.796 -12.787 0.457 316 HD22 LEU 39 1HD2 LEU 39 1.680 -11.788 1.372 317 HD23 LEU 39 2HD2 LEU 39 3.058 -12.524 2.183 318 H ALA 40 H ALA 40 1.477 -8.480 4.095 319 HA ALA 40 HA ALA 40 3.074 -6.322 4.715 320 HB1 ALA 40 1HB ALA 40 0.477 -6.476 4.468 321 HB2 ALA 40 2HB ALA 40 1.192 -5.252 5.537 322 HB3 ALA 40 3HB ALA 40 0.520 -6.721 6.220 323 H LYS 41 H LYS 41 1.676 -8.742 6.863 324 HA LYS 41 HA LYS 41 2.911 -7.831 9.273 325 HB2 LYS 41 2HB LYS 41 1.861 -10.558 8.481 326 HB3 LYS 41 1HB LYS 41 2.342 -10.090 10.106 327 HG2 LYS 41 2HG LYS 41 0.684 -8.315 10.131 328 HG3 LYS 41 1HG LYS 41 0.150 -8.731 8.493 329 HD2 LYS 41 2HD LYS 41 -0.378 -11.055 9.356 330 HD3 LYS 41 1HD LYS 41 -0.055 -10.455 10.981 331 HE2 LYS 41 2HE LYS 41 -2.176 -9.433 9.065 332 HE3 LYS 41 1HE LYS 41 -2.445 -10.375 10.534 333 HZ1 LYS 41 3HZ LYS 41 -2.079 -8.602 11.865 334 HZ2 LYS 41 1HZ LYS 41 -2.662 -7.845 10.500 335 HZ3 LYS 41 2HZ LYS 41 -1.007 -7.774 10.805 336 H GLU 42 H GLU 42 3.768 -10.158 6.792 337 HA GLU 42 HA GLU 42 5.906 -11.248 8.207 338 HB2 GLU 42 2HB GLU 42 5.054 -11.413 5.355 339 HB3 GLU 42 1HB GLU 42 6.495 -12.238 5.895 340 HG2 GLU 42 2HG GLU 42 5.180 -13.400 7.636 341 HG3 GLU 42 1HG GLU 42 3.734 -12.553 7.133 342 H LEU 43 H LEU 43 6.025 -8.768 5.617 343 HA LEU 43 HA LEU 43 8.855 -8.484 6.428 344 HB2 LEU 43 2HB LEU 43 9.542 -8.018 4.136 345 HB3 LEU 43 1HB LEU 43 8.921 -9.635 4.348 346 HG LEU 43 HG LEU 43 6.812 -9.059 3.284 347 HD11 LEU 43 1HD1 LEU 43 6.232 -6.869 3.907 348 HD12 LEU 43 2HD1 LEU 43 6.745 -6.665 2.246 349 HD13 LEU 43 3HD1 LEU 43 7.841 -6.226 3.535 350 HD21 LEU 43 3HD2 LEU 43 8.275 -7.651 1.290 351 HD22 LEU 43 1HD2 LEU 43 7.845 -9.359 1.315 352 HD23 LEU 43 2HD2 LEU 43 9.374 -8.811 2.019 353 H SER 44 H SER 44 6.028 -6.582 5.882 354 HA SER 44 HA SER 44 7.181 -4.270 5.036 355 HB2 SER 44 2HB SER 44 5.105 -4.180 7.202 356 HB3 SER 44 1HB SER 44 5.361 -3.161 5.776 357 HG SER 44 HG SER 44 4.273 -5.677 6.037 358 H ILE 45 H ILE 45 8.306 -2.600 5.969 359 HA ILE 45 HA ILE 45 9.466 -3.115 8.608 360 HB ILE 45 HB ILE 45 10.920 -1.193 8.102 361 HG12 ILE 45 2HG1 ILE 45 9.457 -1.090 5.439 362 HG13 ILE 45 1HG1 ILE 45 9.248 0.092 6.746 363 HG21 ILE 45 1HG2 ILE 45 10.809 -2.977 5.660 364 HG22 ILE 45 2HG2 ILE 45 11.379 -3.564 7.216 365 HG23 ILE 45 3HG2 ILE 45 12.222 -2.244 6.406 366 HD11 ILE 45 3HD1 ILE 45 11.765 -0.520 5.192 367 HD12 ILE 45 1HD1 ILE 45 11.726 0.477 6.638 368 HD13 ILE 45 2HD1 ILE 45 10.866 1.010 5.201 369 H ASP 46 H ASP 46 6.861 -1.636 7.262 370 HA ASP 46 HA ASP 46 6.449 0.365 9.359 371 HB2 ASP 46 2HB ASP 46 5.719 0.886 7.038 372 HB3 ASP 46 1HB ASP 46 4.654 -0.512 7.084 373 H GLY 47 H GLY 47 5.747 -0.393 11.236 374 HA2 GLY 47 2HA GLY 47 4.680 -2.968 11.675 375 HA3 GLY 47 1HA GLY 47 4.564 -1.613 12.810 376 H GLY 48 H GLY 48 3.226 0.099 10.853 377 HA2 GLY 48 2HA GLY 48 0.541 -0.436 11.431 378 HA3 GLY 48 1HA GLY 48 1.123 0.617 10.136 379 H SER 49 H SER 49 2.551 -1.203 8.605 380 HA SER 49 HA SER 49 0.499 -2.377 7.075 381 HB2 SER 49 2HB SER 49 3.492 -2.769 7.099 382 HB3 SER 49 1HB SER 49 2.445 -3.612 5.982 383 HG SER 49 HG SER 49 1.952 -1.736 4.992 384 H ALA 50 H ALA 50 2.568 -3.622 9.657 385 HA ALA 50 HA ALA 50 1.649 -6.330 9.320 386 HB1 ALA 50 1HB ALA 50 3.847 -5.828 10.381 387 HB2 ALA 50 2HB ALA 50 2.806 -6.786 11.420 388 HB3 ALA 50 3HB ALA 50 3.004 -5.061 11.723 389 H LYS 51 H LYS 51 0.909 -3.628 11.389 390 HA LYS 51 HA LYS 51 -1.019 -4.925 12.998 391 HB2 LYS 51 2HB LYS 51 -0.582 -1.995 12.399 392 HB3 LYS 51 1HB LYS 51 -1.732 -2.576 13.589 393 HG2 LYS 51 2HG LYS 51 1.222 -3.290 13.640 394 HG3 LYS 51 1HG LYS 51 0.539 -1.949 14.536 395 HD2 LYS 51 2HD LYS 51 -0.979 -3.515 15.754 396 HD3 LYS 51 1HD LYS 51 -0.304 -4.863 14.855 397 HE2 LYS 51 2HE LYS 51 0.713 -4.639 17.089 398 HE3 LYS 51 1HE LYS 51 1.914 -4.471 15.809 399 HZ1 LYS 51 3HZ LYS 51 2.076 -2.774 17.578 400 HZ2 LYS 51 1HZ LYS 51 0.600 -2.116 17.133 401 HZ3 LYS 51 2HZ LYS 51 1.882 -2.111 16.064 402 H ARG 52 H ARG 52 -1.217 -3.069 10.034 403 HA ARG 52 HA ARG 52 -4.148 -3.318 9.939 404 HB2 ARG 52 2HB ARG 52 -2.138 -1.963 8.148 405 HB3 ARG 52 1HB ARG 52 -3.857 -1.925 7.904 406 HG2 ARG 52 2HG ARG 52 -2.437 -0.876 10.374 407 HG3 ARG 52 1HG ARG 52 -3.035 0.126 9.060 408 HD2 ARG 52 2HD ARG 52 -4.641 -1.505 11.029 409 HD3 ARG 52 1HD ARG 52 -4.721 0.211 10.698 410 HE ARG 52 HE ARG 52 -5.408 -1.133 8.300 411 HH11 ARG 52 1HH2 ARG 52 -6.557 -0.609 11.562 412 HH12 ARG 52 2HH2 ARG 52 -8.194 -0.897 11.175 413 HH21 ARG 52 1HH1 ARG 52 -7.577 -1.494 7.777 414 HH22 ARG 52 2HH1 ARG 52 -8.781 -1.374 8.991 415 H ASP 53 H ASP 53 -1.653 -5.301 9.213 416 HA ASP 53 HA ASP 53 -1.276 -6.961 7.659 417 HB2 ASP 53 2HB ASP 53 -3.983 -7.071 6.539 418 HB3 ASP 53 1HB ASP 53 -3.074 -8.325 7.316 419 H GLY 54 H GLY 54 -0.989 -4.266 7.070 420 HA2 GLY 54 2HA GLY 54 -0.406 -2.949 5.249 421 HA3 GLY 54 1HA GLY 54 -1.031 -4.214 4.185 422 H SER 55 H SER 55 -3.590 -4.449 5.390 423 HA SER 55 HA SER 55 -5.132 -2.740 3.884 424 HB2 SER 55 2HB SER 55 -6.321 -3.755 6.398 425 HB3 SER 55 1HB SER 55 -6.856 -3.886 4.721 426 HG SER 55 HG SER 55 -4.945 -5.317 6.206 427 H LEU 56 H LEU 56 -4.477 -0.587 4.144 428 HA LEU 56 HA LEU 56 -4.455 0.841 6.586 429 HB2 LEU 56 2HB LEU 56 -4.892 1.744 3.736 430 HB3 LEU 56 1HB LEU 56 -4.632 2.827 5.079 431 HG LEU 56 HG LEU 56 -2.684 0.696 4.146 432 HD11 LEU 56 1HD1 LEU 56 -2.826 2.567 2.616 433 HD12 LEU 56 2HD1 LEU 56 -1.288 2.588 3.489 434 HD13 LEU 56 3HD1 LEU 56 -2.574 3.704 3.940 435 HD21 LEU 56 3HD2 LEU 56 -1.178 2.130 5.765 436 HD22 LEU 56 1HD2 LEU 56 -2.222 0.886 6.426 437 HD23 LEU 56 2HD2 LEU 56 -2.693 2.597 6.501 438 H GLY 57 H GLY 57 -6.823 0.190 4.110 439 HA2 GLY 57 2HA GLY 57 -9.183 0.003 4.526 440 HA3 GLY 57 1HA GLY 57 -8.975 1.062 5.921 441 H TYR 58 H TYR 58 -10.487 2.569 5.231 442 HA TYR 58 HA TYR 58 -10.295 3.857 2.642 443 HB2 TYR 58 2HB TYR 58 -11.805 4.971 4.999 444 HB3 TYR 58 1HB TYR 58 -12.174 5.126 3.318 445 HD1 TYR 58 1HD TYR 58 -12.111 2.689 6.141 446 HD2 TYR 58 2HD TYR 58 -13.567 3.492 2.163 447 HE1 TYR 58 1HE TYR 58 -13.606 0.743 6.301 448 HE2 TYR 58 2HE TYR 58 -15.063 1.539 2.339 449 HH TYR 58 HH TYR 58 -16.111 0.262 4.765 450 H PHE 59 H PHE 59 -9.062 5.711 2.285 451 HA PHE 59 HA PHE 59 -8.609 7.505 4.519 452 HB2 PHE 59 2HB PHE 59 -6.221 7.714 4.198 453 HB3 PHE 59 1HB PHE 59 -6.638 6.063 4.627 454 HD1 PHE 59 1HD PHE 59 -6.599 4.252 2.883 455 HD2 PHE 59 2HD PHE 59 -5.319 8.265 1.993 456 HE1 PHE 59 1HE PHE 59 -5.450 3.442 0.908 457 HE2 PHE 59 2HE PHE 59 -4.175 7.439 -0.025 458 HZ PHE 59 HZ PHE 59 -4.222 5.025 -0.575 459 H GLY 60 H GLY 60 -8.093 9.601 3.955 460 HA2 GLY 60 2HA GLY 60 -8.938 10.232 1.232 461 HA3 GLY 60 1HA GLY 60 -8.950 11.371 2.559 462 H ARG 61 H ARG 61 -7.846 12.754 0.879 463 HA ARG 61 HA ARG 61 -5.152 12.042 0.108 464 HB2 ARG 61 2HB ARG 61 -6.790 14.550 -0.357 465 HB3 ARG 61 1HB ARG 61 -5.203 14.214 -1.048 466 HG2 ARG 61 2HG ARG 61 -6.024 12.268 -2.218 467 HG3 ARG 61 1HG ARG 61 -7.616 12.403 -1.472 468 HD2 ARG 61 2HD ARG 61 -7.778 13.351 -3.686 469 HD3 ARG 61 1HD ARG 61 -7.887 14.645 -2.534 470 HE ARG 61 HE ARG 61 -5.581 15.222 -2.998 471 HH11 ARG 61 1HH2 ARG 61 -7.070 12.951 -5.228 472 HH12 ARG 61 2HH2 ARG 61 -5.975 13.256 -6.491 473 HH21 ARG 61 1HH1 ARG 61 -4.081 15.612 -4.719 474 HH22 ARG 61 2HH1 ARG 61 -4.275 14.801 -6.211 475 H GLY 62 H GLY 62 -3.302 13.148 0.731 476 HA2 GLY 62 2HA GLY 62 -2.049 14.760 1.806 477 HA3 GLY 62 1HA GLY 62 -3.455 15.308 2.699 478 H LYS 63 H LYS 63 -3.836 12.266 3.207 479 HA LYS 63 HA LYS 63 -2.717 12.272 5.827 480 HB2 LYS 63 2HB LYS 63 -4.089 10.109 4.232 481 HB3 LYS 63 1HB LYS 63 -3.582 9.925 5.906 482 HG2 LYS 63 2HG LYS 63 -5.569 10.820 6.486 483 HG3 LYS 63 1HG LYS 63 -4.869 12.365 6.024 484 HD2 LYS 63 2HD LYS 63 -5.651 11.740 3.623 485 HD3 LYS 63 1HD LYS 63 -6.688 10.571 4.437 486 HE2 LYS 63 2HE LYS 63 -8.040 12.523 4.217 487 HE3 LYS 63 1HE LYS 63 -7.524 12.528 5.891 488 HZ1 LYS 63 3HZ LYS 63 -6.067 14.053 3.751 489 HZ2 LYS 63 1HZ LYS 63 -5.918 14.218 5.435 490 HZ3 LYS 63 2HZ LYS 63 -7.315 14.678 4.677 491 H MET 64 H MET 64 -1.785 10.794 2.789 492 HA MET 64 HA MET 64 0.715 9.844 4.052 493 HB2 MET 64 2HB MET 64 -1.035 8.588 1.971 494 HB3 MET 64 1HB MET 64 0.683 8.295 1.927 495 HG2 MET 64 2HG MET 64 -0.300 6.534 3.277 496 HG3 MET 64 1HG MET 64 0.618 7.596 4.346 497 HE1 MET 64 3HE MET 64 -2.619 6.797 2.659 498 HE2 MET 64 1HE MET 64 -3.142 8.482 2.805 499 HE3 MET 64 2HE MET 64 -3.890 7.249 3.772 500 H VAL 65 H VAL 65 2.556 9.794 2.590 501 HA VAL 65 HA VAL 65 2.996 12.310 1.456 502 HB VAL 65 HB VAL 65 5.096 11.373 0.600 503 HG11 VAL 65 1HG1 VAL 65 4.377 10.184 3.297 504 HG12 VAL 65 2HG1 VAL 65 4.869 11.845 3.037 505 HG13 VAL 65 3HG1 VAL 65 5.995 10.530 2.699 506 HG21 VAL 65 3HG2 VAL 65 5.408 8.838 1.166 507 HG22 VAL 65 1HG2 VAL 65 4.574 9.259 -0.324 508 HG23 VAL 65 2HG2 VAL 65 3.655 8.763 1.100 509 H LYS 66 H LYS 66 2.743 13.117 -0.577 510 HA LYS 66 HA LYS 66 0.729 12.275 -2.149 511 HB2 LYS 66 2HB LYS 66 1.952 14.478 -2.346 512 HB3 LYS 66 1HB LYS 66 3.117 13.667 -3.392 513 HG2 LYS 66 2HG LYS 66 0.286 13.187 -4.117 514 HG3 LYS 66 1HG LYS 66 0.808 14.852 -4.279 515 HD2 LYS 66 2HD LYS 66 2.726 14.171 -5.644 516 HD3 LYS 66 1HD LYS 66 2.255 12.477 -5.534 517 HE2 LYS 66 2HE LYS 66 0.675 14.734 -6.837 518 HE3 LYS 66 1HE LYS 66 1.469 13.386 -7.650 519 HZ1 LYS 66 3HZ LYS 66 -0.329 12.347 -5.690 520 HZ2 LYS 66 1HZ LYS 66 -0.360 12.162 -7.369 521 HZ3 LYS 66 2HZ LYS 66 -1.112 13.461 -6.654 522 HA PRO 67 HA PRO 67 3.808 9.758 -5.054 523 HB2 PRO 67 2HB PRO 67 5.298 8.556 -2.766 524 HB3 PRO 67 1HB PRO 67 5.839 8.910 -4.409 525 HG2 PRO 67 2HG PRO 67 6.569 10.457 -2.409 526 HG3 PRO 67 1HG PRO 67 6.205 11.136 -3.993 527 HD2 PRO 67 2HD PRO 67 4.623 11.324 -1.499 528 HD3 PRO 67 1HD PRO 67 4.673 12.418 -2.893 529 H PHE 68 H PHE 68 3.141 8.828 -1.718 530 HA PHE 68 HA PHE 68 2.376 6.134 -2.164 531 HB2 PHE 68 2HB PHE 68 3.024 7.030 0.043 532 HB3 PHE 68 1HB PHE 68 1.540 7.991 0.069 533 HD1 PHE 68 2HD PHE 68 2.944 4.592 0.188 534 HD2 PHE 68 1HD PHE 68 -0.639 6.959 0.379 535 HE1 PHE 68 2HE PHE 68 1.725 2.667 1.026 536 HE2 PHE 68 1HE PHE 68 -1.882 5.011 1.231 537 HZ PHE 68 HZ PHE 68 -0.731 2.861 1.556 538 H GLU 69 H GLU 69 0.467 9.075 -1.664 539 HA GLU 69 HA GLU 69 -2.044 7.797 -2.034 540 HB2 GLU 69 2HB GLU 69 -1.267 10.729 -2.207 541 HB3 GLU 69 1HB GLU 69 -2.917 10.143 -2.287 542 HG2 GLU 69 2HG GLU 69 -2.721 9.096 -0.080 543 HG3 GLU 69 1HG GLU 69 -1.035 9.589 0.020 544 H ASP 70 H ASP 70 0.079 9.546 -4.177 545 HA ASP 70 HA ASP 70 -1.568 9.710 -6.439 546 HB2 ASP 70 2HB ASP 70 0.745 10.781 -6.021 547 HB3 ASP 70 1HB ASP 70 1.409 9.264 -6.559 548 H ALA 71 H ALA 71 0.710 7.197 -5.408 549 HA ALA 71 HA ALA 71 0.200 5.458 -7.634 550 HB1 ALA 71 1HB ALA 71 2.226 5.354 -6.064 551 HB2 ALA 71 2HB ALA 71 1.460 3.811 -6.454 552 HB3 ALA 71 3HB ALA 71 1.149 4.584 -4.901 553 H ALA 72 H ALA 72 -1.158 5.790 -4.408 554 HA ALA 72 HA ALA 72 -2.680 3.442 -4.340 555 HB1 ALA 72 1HB ALA 72 -3.964 4.464 -2.594 556 HB2 ALA 72 2HB ALA 72 -3.449 6.075 -3.084 557 HB3 ALA 72 3HB ALA 72 -2.280 4.956 -2.388 558 H PHE 73 H PHE 73 -3.482 6.625 -5.614 559 HA PHE 73 HA PHE 73 -6.185 6.096 -6.153 560 HB2 PHE 73 2HB PHE 73 -4.261 8.097 -7.331 561 HB3 PHE 73 1HB PHE 73 -5.903 7.963 -7.930 562 HD1 PHE 73 1HD PHE 73 -7.815 7.954 -6.128 563 HD2 PHE 73 2HD PHE 73 -3.853 9.462 -5.424 564 HE1 PHE 73 1HE PHE 73 -8.657 9.289 -4.231 565 HE2 PHE 73 2HE PHE 73 -4.697 10.787 -3.520 566 HZ PHE 73 HZ PHE 73 -7.115 10.697 -2.920 567 H ARG 74 H ARG 74 -3.328 5.283 -7.889 568 HA ARG 74 HA ARG 74 -4.427 4.913 -10.459 569 HB2 ARG 74 2HB ARG 74 -2.028 3.551 -9.230 570 HB3 ARG 74 1HB ARG 74 -2.424 3.566 -10.936 571 HG2 ARG 74 2HG ARG 74 -1.907 6.037 -9.254 572 HG3 ARG 74 1HG ARG 74 -0.745 5.314 -10.367 573 HD2 ARG 74 2HD ARG 74 -3.420 6.544 -11.067 574 HD3 ARG 74 1HD ARG 74 -1.835 7.160 -11.464 575 HE ARG 74 HE ARG 74 -1.874 4.622 -12.569 576 HH11 ARG 74 1HH2 ARG 74 -3.803 7.541 -12.834 577 HH12 ARG 74 2HH2 ARG 74 -4.252 7.253 -14.456 578 HH21 ARG 74 1HH1 ARG 74 -2.503 4.258 -14.739 579 HH22 ARG 74 2HH1 ARG 74 -3.498 5.367 -15.571 580 H LEU 75 H LEU 75 -4.155 2.695 -7.757 581 HA LEU 75 HA LEU 75 -4.953 0.446 -9.443 582 HB2 LEU 75 2HB LEU 75 -4.242 0.439 -6.522 583 HB3 LEU 75 1HB LEU 75 -4.396 -0.940 -7.582 584 HG LEU 75 HG LEU 75 -2.388 1.295 -8.007 585 HD11 LEU 75 1HD1 LEU 75 -2.148 -0.371 -6.029 586 HD12 LEU 75 2HD1 LEU 75 -0.800 -0.013 -7.117 587 HD13 LEU 75 3HD1 LEU 75 -1.724 -1.524 -7.312 588 HD21 LEU 75 3HD2 LEU 75 -3.296 -1.021 -9.647 589 HD22 LEU 75 1HD2 LEU 75 -1.547 -0.857 -9.474 590 HD23 LEU 75 2HD2 LEU 75 -2.496 0.463 -10.139 591 H GLN 76 H GLN 76 -6.922 2.554 -8.529 592 HA GLN 76 HA GLN 76 -8.691 1.683 -6.627 593 HB2 GLN 76 2HB GLN 76 -9.310 2.916 -9.317 594 HB3 GLN 76 1HB GLN 76 -10.478 2.740 -8.010 595 HG2 GLN 76 2HG GLN 76 -9.130 4.096 -6.517 596 HG3 GLN 76 1HG GLN 76 -7.814 4.138 -7.654 597 HE21 GLN 76 1HE2 GLN 76 -7.720 6.070 -8.702 598 HE22 GLN 76 2HE2 GLN 76 -9.037 7.050 -9.138 599 H VAL 77 H VAL 77 -8.025 0.182 -9.674 600 HA VAL 77 HA VAL 77 -10.318 -1.433 -9.935 601 HB VAL 77 HB VAL 77 -8.690 -1.049 -11.731 602 HG11 VAL 77 1HG1 VAL 77 -6.870 -3.042 -10.382 603 HG12 VAL 77 2HG1 VAL 77 -6.653 -1.283 -10.181 604 HG13 VAL 77 3HG1 VAL 77 -6.537 -2.014 -11.767 605 HG21 VAL 77 3HG2 VAL 77 -8.973 -3.986 -10.987 606 HG22 VAL 77 1HG2 VAL 77 -8.639 -3.347 -12.591 607 HG23 VAL 77 2HG2 VAL 77 -10.189 -3.016 -11.830 608 H GLY 78 H GLY 78 -7.456 -1.796 -7.922 609 HA2 GLY 78 2HA GLY 78 -7.946 -3.322 -5.850 610 HA3 GLY 78 1HA GLY 78 -8.447 -4.441 -7.073 611 H GLU 79 H GLU 79 -5.994 -2.981 -8.513 612 HA GLU 79 HA GLU 79 -4.348 -5.275 -8.363 613 HB2 GLU 79 2HB GLU 79 -4.466 -2.832 -9.927 614 HB3 GLU 79 1HB GLU 79 -2.824 -3.213 -9.453 615 HG2 GLU 79 2HG GLU 79 -4.686 -5.278 -10.666 616 HG3 GLU 79 1HG GLU 79 -3.641 -4.253 -11.646 617 H VAL 80 H VAL 80 -1.920 -4.930 -8.152 618 HA VAL 80 HA VAL 80 -1.323 -3.720 -5.504 619 HB VAL 80 HB VAL 80 0.183 -5.906 -6.969 620 HG11 VAL 80 1HG1 VAL 80 1.160 -6.266 -4.662 621 HG12 VAL 80 2HG1 VAL 80 0.404 -4.744 -4.196 622 HG13 VAL 80 3HG1 VAL 80 1.634 -4.763 -5.459 623 HG21 VAL 80 3HG2 VAL 80 -2.232 -6.470 -6.124 624 HG22 VAL 80 1HG2 VAL 80 -1.526 -6.334 -4.508 625 HG23 VAL 80 2HG2 VAL 80 -0.913 -7.522 -5.643 626 H SER 81 H SER 81 0.082 -2.053 -5.514 627 HA SER 81 HA SER 81 0.878 -0.824 -7.891 628 HB2 SER 81 2HB SER 81 2.053 0.743 -6.466 629 HB3 SER 81 1HB SER 81 0.548 0.326 -5.674 630 HG SER 81 HG SER 81 3.191 -0.541 -5.217 631 H GLU 82 H GLU 82 2.916 -0.386 -8.682 632 HA GLU 82 HA GLU 82 4.922 -2.474 -8.435 633 HB2 GLU 82 2HB GLU 82 5.015 0.267 -9.734 634 HB3 GLU 82 1HB GLU 82 6.262 -0.957 -9.890 635 HG2 GLU 82 2HG GLU 82 5.143 -1.956 -11.591 636 HG3 GLU 82 1HG GLU 82 3.759 -2.182 -10.563 637 HA PRO 83 HA PRO 83 7.036 -0.772 -4.990 638 HB2 PRO 83 2HB PRO 83 9.262 0.020 -6.821 639 HB3 PRO 83 1HB PRO 83 9.338 -0.802 -5.243 640 HG2 PRO 83 2HG PRO 83 9.556 -2.161 -7.558 641 HG3 PRO 83 1HG PRO 83 8.781 -2.875 -6.139 642 HD2 PRO 83 2HD PRO 83 7.550 -2.068 -8.672 643 HD3 PRO 83 1HD PRO 83 6.880 -3.038 -7.351 644 H VAL 84 H VAL 84 6.536 1.143 -4.061 645 HA VAL 84 HA VAL 84 6.500 3.606 -5.671 646 HB VAL 84 HB VAL 84 5.140 2.895 -3.078 647 HG11 VAL 84 1HG1 VAL 84 3.884 5.128 -4.221 648 HG12 VAL 84 2HG1 VAL 84 5.606 5.466 -4.371 649 HG13 VAL 84 3HG1 VAL 84 4.903 5.099 -2.790 650 HG21 VAL 84 3HG2 VAL 84 3.064 2.914 -4.422 651 HG22 VAL 84 1HG2 VAL 84 4.196 1.703 -5.011 652 HG23 VAL 84 2HG2 VAL 84 4.004 3.237 -5.877 653 H LYS 85 H LYS 85 8.395 4.647 -5.401 654 HA LYS 85 HA LYS 85 9.844 4.468 -2.900 655 HB2 LYS 85 2HB LYS 85 11.086 4.525 -5.052 656 HB3 LYS 85 1HB LYS 85 10.462 6.154 -5.325 657 HG2 LYS 85 2HG LYS 85 11.551 6.971 -3.298 658 HG3 LYS 85 1HG LYS 85 12.112 5.351 -2.916 659 HD2 LYS 85 2HD LYS 85 13.484 5.320 -4.980 660 HD3 LYS 85 1HD LYS 85 12.866 6.909 -5.407 661 HE2 LYS 85 2HE LYS 85 15.086 7.121 -4.351 662 HE3 LYS 85 1HE LYS 85 13.832 7.877 -3.381 663 HZ1 LYS 85 3HZ LYS 85 14.606 6.677 -1.735 664 HZ2 LYS 85 1HZ LYS 85 15.559 5.708 -2.693 665 HZ3 LYS 85 2HZ LYS 85 13.981 5.248 -2.424 666 H SER 86 H SER 86 9.857 5.919 -1.291 667 HA SER 86 HA SER 86 8.693 8.578 -1.699 668 HB2 SER 86 2HB SER 86 7.401 8.353 0.304 669 HB3 SER 86 1HB SER 86 6.994 6.960 -0.699 670 HG SER 86 HG SER 86 7.854 5.740 0.803 671 H GLU 87 H GLU 87 9.113 9.702 0.534 672 HA GLU 87 HA GLU 87 11.909 9.827 1.029 673 HB2 GLU 87 2HB GLU 87 10.318 11.679 1.462 674 HB3 GLU 87 1HB GLU 87 9.571 10.736 2.744 675 HG2 GLU 87 2HG GLU 87 11.648 10.696 4.014 676 HG3 GLU 87 1HG GLU 87 12.499 11.526 2.723 677 H PHE 88 H PHE 88 9.171 8.173 2.446 678 HA PHE 88 HA PHE 88 10.376 7.140 4.781 679 HB2 PHE 88 2HB PHE 88 8.100 6.055 3.120 680 HB3 PHE 88 1HB PHE 88 8.506 5.533 4.735 681 HD1 PHE 88 2HD PHE 88 9.344 8.925 4.866 682 HD2 PHE 88 1HD PHE 88 5.835 6.417 4.549 683 HE1 PHE 88 2HE PHE 88 7.963 10.735 5.755 684 HE2 PHE 88 1HE PHE 88 4.469 8.263 5.442 685 HZ PHE 88 HZ PHE 88 5.525 10.423 6.052 686 H GLY 89 H GLY 89 10.001 5.831 1.511 687 HA2 GLY 89 2HA GLY 89 12.274 4.432 1.116 688 HA3 GLY 89 1HA GLY 89 11.374 3.354 2.184 689 H TYR 90 H TYR 90 10.804 1.731 0.785 690 HA TYR 90 HA TYR 90 9.333 2.530 -1.624 691 HB2 TYR 90 2HB TYR 90 10.951 0.122 -0.941 692 HB3 TYR 90 1HB TYR 90 9.640 -0.058 -2.079 693 HD1 TYR 90 2HD TYR 90 9.622 1.238 -4.211 694 HD2 TYR 90 1HD TYR 90 12.959 1.404 -1.509 695 HE1 TYR 90 2HE TYR 90 10.993 2.226 -5.991 696 HE2 TYR 90 1HE TYR 90 14.342 2.389 -3.301 697 HH TYR 90 HH TYR 90 12.991 3.080 -6.532 698 H HIS 91 H HIS 91 7.226 2.164 -1.743 699 HA HIS 91 HA HIS 91 5.977 0.454 0.324 700 HB2 HIS 91 2HB HIS 91 4.546 2.628 -1.241 701 HB3 HIS 91 1HB HIS 91 3.961 1.696 0.119 702 HD1 HIS 91 1HD HIS 91 4.127 2.814 2.279 703 HD2 HIS 91 2HD HIS 91 6.945 4.267 -0.403 704 HE1 HIS 91 1HE HIS 91 5.300 4.725 3.461 705 H VAL 92 H VAL 92 4.405 -0.942 -0.320 706 HA VAL 92 HA VAL 92 3.854 -1.174 -3.202 707 HB VAL 92 HB VAL 92 4.056 -3.392 -1.138 708 HG11 VAL 92 1HG1 VAL 92 2.888 -3.344 -3.930 709 HG12 VAL 92 2HG1 VAL 92 2.138 -3.946 -2.445 710 HG13 VAL 92 3HG1 VAL 92 3.459 -4.836 -3.188 711 HG21 VAL 92 3HG2 VAL 92 5.573 -4.245 -3.119 712 HG22 VAL 92 1HG2 VAL 92 6.208 -3.080 -1.957 713 HG23 VAL 92 2HG2 VAL 92 5.639 -2.540 -3.548 714 H ILE 93 H ILE 93 1.774 -0.769 -3.609 715 HA ILE 93 HA ILE 93 -0.090 -0.759 -1.310 716 HB ILE 93 HB ILE 93 -0.052 0.995 -3.768 717 HG12 ILE 93 2HG1 ILE 93 0.401 1.716 -0.855 718 HG13 ILE 93 1HG1 ILE 93 1.710 1.477 -2.015 719 HG21 ILE 93 1HG2 ILE 93 -2.332 0.672 -3.095 720 HG22 ILE 93 2HG2 ILE 93 -1.842 2.234 -2.458 721 HG23 ILE 93 3HG2 ILE 93 -1.927 0.839 -1.385 722 HD11 ILE 93 3HD1 ILE 93 0.087 3.223 -3.384 723 HD12 ILE 93 1HD1 ILE 93 1.470 3.716 -2.407 724 HD13 ILE 93 2HD1 ILE 93 -0.146 3.743 -1.724 725 H LYS 94 H LYS 94 -1.685 -2.154 -1.463 726 HA LYS 94 HA LYS 94 -2.596 -2.923 -4.165 727 HB2 LYS 94 2HB LYS 94 -1.916 -4.898 -2.818 728 HB3 LYS 94 1HB LYS 94 -3.115 -4.450 -1.593 729 HG2 LYS 94 2HG LYS 94 -4.893 -4.518 -3.355 730 HG3 LYS 94 1HG LYS 94 -3.693 -5.059 -4.517 731 HD2 LYS 94 2HD LYS 94 -3.280 -7.069 -3.133 732 HD3 LYS 94 1HD LYS 94 -4.516 -6.526 -1.996 733 HE2 LYS 94 2HE LYS 94 -4.864 -7.479 -4.835 734 HE3 LYS 94 1HE LYS 94 -5.686 -8.005 -3.374 735 HZ1 LYS 94 3HZ LYS 94 -6.201 -5.706 -5.075 736 HZ2 LYS 94 1HZ LYS 94 -6.529 -5.418 -3.448 737 HZ3 LYS 94 2HZ LYS 94 -7.288 -6.674 -4.338 738 H ARG 95 H ARG 95 -4.696 -2.565 -4.611 739 HA ARG 95 HA ARG 95 -6.010 -0.736 -2.796 740 HB2 ARG 95 2HB ARG 95 -6.088 -0.950 -5.530 741 HB3 ARG 95 1HB ARG 95 -7.631 -1.673 -5.066 742 HG2 ARG 95 2HG ARG 95 -6.815 0.874 -3.717 743 HG3 ARG 95 1HG ARG 95 -7.412 0.953 -5.370 744 HD2 ARG 95 2HD ARG 95 -8.904 -0.524 -3.185 745 HD3 ARG 95 1HD ARG 95 -9.169 1.172 -3.486 746 HE ARG 95 HE ARG 95 -9.476 -0.105 -5.959 747 HH11 ARG 95 1HH2 ARG 95 -10.882 -0.384 -2.780 748 HH12 ARG 95 2HH2 ARG 95 -12.446 -0.725 -3.307 749 HH21 ARG 95 1HH1 ARG 95 -11.490 -0.553 -6.721 750 HH22 ARG 95 2HH1 ARG 95 -12.834 -0.795 -5.668 751 H LEU 96 H LEU 96 -7.761 -1.082 -1.586 752 HA LEU 96 HA LEU 96 -8.510 -3.875 -1.138 753 HB2 LEU 96 2HB LEU 96 -7.558 -2.662 0.801 754 HB3 LEU 96 1HB LEU 96 -8.738 -1.382 0.574 755 HG LEU 96 HG LEU 96 -10.564 -3.064 0.957 756 HD11 LEU 96 1HD1 LEU 96 -9.803 -5.180 2.138 757 HD12 LEU 96 2HD1 LEU 96 -8.166 -4.832 1.560 758 HD13 LEU 96 3HD1 LEU 96 -9.454 -5.137 0.419 759 HD21 LEU 96 3HD2 LEU 96 -9.783 -1.611 2.773 760 HD22 LEU 96 1HD2 LEU 96 -8.476 -2.733 3.130 761 HD23 LEU 96 2HD2 LEU 96 -10.136 -3.228 3.422 762 H GLY 97 H GLY 97 -10.422 -4.398 -1.831 763 HA2 GLY 97 2HA GLY 97 -11.960 -2.899 -3.519 764 HA3 GLY 97 1HA GLY 97 -12.531 -4.343 -2.735 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -20.036 2.240 -2.904 2 HA2 GLY 1 2HA GLY 1 -19.067 0.202 -4.408 3 HA3 GLY 1 1HA GLY 1 -17.731 0.649 -3.342 4 HA PRO 2 HA PRO 2 -20.198 -2.445 -0.936 5 HB2 PRO 2 2HB PRO 2 -17.514 -2.585 0.349 6 HB3 PRO 2 1HB PRO 2 -18.633 -3.881 -0.102 7 HG2 PRO 2 2HG PRO 2 -16.484 -3.383 -1.577 8 HG3 PRO 2 1HG PRO 2 -18.013 -3.877 -2.310 9 HD2 PRO 2 2HD PRO 2 -16.723 -1.205 -2.389 10 HD3 PRO 2 1HD PRO 2 -17.867 -1.951 -3.508 11 H MET 3 H MET 3 -21.124 -2.118 1.049 12 HA MET 3 HA MET 3 -21.323 0.348 2.227 13 HB2 MET 3 2HB MET 3 -21.660 -2.368 3.518 14 HB3 MET 3 1HB MET 3 -22.180 -0.866 4.255 15 HG2 MET 3 2HG MET 3 -23.642 -0.396 2.325 16 HG3 MET 3 1HG MET 3 -23.145 -1.912 1.570 17 HE1 MET 3 3HE MET 3 -26.181 -1.589 1.832 18 HE2 MET 3 1HE MET 3 -26.506 -3.231 2.428 19 HE3 MET 3 2HE MET 3 -25.228 -2.939 1.252 20 H GLY 4 H GLY 4 -20.273 1.461 3.757 21 HA2 GLY 4 2HA GLY 4 -18.773 1.866 5.520 22 HA3 GLY 4 1HA GLY 4 -18.044 0.279 5.270 23 H SER 5 H SER 5 -18.387 1.409 2.259 24 HA SER 5 HA SER 5 -15.677 2.556 2.219 25 HB2 SER 5 2HB SER 5 -17.221 1.611 -0.174 26 HB3 SER 5 1HB SER 5 -15.496 1.786 -0.003 27 HG SER 5 HG SER 5 -17.279 -0.112 1.027 28 H MET 6 H MET 6 -15.583 4.686 2.045 29 HA MET 6 HA MET 6 -17.759 6.115 0.656 30 HB2 MET 6 2HB MET 6 -17.115 6.688 3.108 31 HB3 MET 6 1HB MET 6 -15.699 7.461 2.409 32 HG2 MET 6 2HG MET 6 -17.273 8.769 0.893 33 HG3 MET 6 1HG MET 6 -18.606 8.106 1.822 34 HE1 MET 6 3HE MET 6 -18.273 9.443 5.308 35 HE2 MET 6 1HE MET 6 -17.356 7.999 4.854 36 HE3 MET 6 2HE MET 6 -18.963 8.271 4.198 37 H ALA 7 H ALA 7 -17.152 6.280 -1.402 38 HA ALA 7 HA ALA 7 -14.547 6.125 -2.356 39 HB1 ALA 7 1HB ALA 7 -16.924 7.369 -3.749 40 HB2 ALA 7 2HB ALA 7 -16.458 5.655 -3.726 41 HB3 ALA 7 3HB ALA 7 -15.412 6.832 -4.512 42 H ASP 8 H ASP 8 -15.793 8.584 -0.626 43 HA ASP 8 HA ASP 8 -14.497 10.911 -1.722 44 HB2 ASP 8 2HB ASP 8 -16.148 11.208 0.083 45 HB3 ASP 8 1HB ASP 8 -15.230 10.117 1.118 46 H LYS 9 H LYS 9 -13.613 8.150 0.114 47 HA LYS 9 HA LYS 9 -10.817 9.016 0.274 48 HB2 LYS 9 2HB LYS 9 -12.539 7.364 2.124 49 HB3 LYS 9 1HB LYS 9 -10.792 7.544 2.279 50 HG2 LYS 9 2HG LYS 9 -10.980 9.972 2.515 51 HG3 LYS 9 1HG LYS 9 -12.697 9.878 2.163 52 HD2 LYS 9 2HD LYS 9 -13.216 8.822 4.169 53 HD3 LYS 9 1HD LYS 9 -11.541 8.410 4.530 54 HE2 LYS 9 2HE LYS 9 -12.678 10.414 5.735 55 HE3 LYS 9 1HE LYS 9 -11.022 10.543 5.188 56 HZ1 LYS 9 3HZ LYS 9 -11.606 11.907 3.412 57 HZ2 LYS 9 1HZ LYS 9 -12.613 12.445 4.611 58 HZ3 LYS 9 2HZ LYS 9 -13.241 11.488 3.366 59 H ILE 10 H ILE 10 -9.303 7.168 0.297 60 HA ILE 10 HA ILE 10 -10.122 5.105 -1.644 61 HB ILE 10 HB ILE 10 -7.357 5.923 -0.752 62 HG12 ILE 10 2HG1 ILE 10 -8.747 6.534 -3.326 63 HG13 ILE 10 1HG1 ILE 10 -8.657 7.733 -2.031 64 HG21 ILE 10 1HG2 ILE 10 -7.613 3.597 -1.684 65 HG22 ILE 10 2HG2 ILE 10 -6.580 4.630 -2.664 66 HG23 ILE 10 3HG2 ILE 10 -8.238 4.320 -3.165 67 HD11 ILE 10 3HD1 ILE 10 -6.053 6.527 -2.708 68 HD12 ILE 10 1HD1 ILE 10 -6.486 8.221 -2.518 69 HD13 ILE 10 2HD1 ILE 10 -6.770 7.381 -4.048 70 H LYS 11 H LYS 11 -10.272 3.063 -0.938 71 HA LYS 11 HA LYS 11 -9.395 2.382 1.778 72 HB2 LYS 11 2HB LYS 11 -11.013 0.859 -0.274 73 HB3 LYS 11 1HB LYS 11 -10.585 0.245 1.314 74 HG2 LYS 11 2HG LYS 11 -11.753 2.046 2.410 75 HG3 LYS 11 1HG LYS 11 -12.099 2.818 0.854 76 HD2 LYS 11 2HD LYS 11 -14.077 1.697 1.345 77 HD3 LYS 11 1HD LYS 11 -13.257 0.644 0.199 78 HE2 LYS 11 2HE LYS 11 -12.416 -0.797 2.022 79 HE3 LYS 11 1HE LYS 11 -13.121 0.253 3.228 80 HZ1 LYS 11 3HZ LYS 11 -15.334 -0.329 1.791 81 HZ2 LYS 11 1HZ LYS 11 -14.734 -1.283 3.063 82 HZ3 LYS 11 2HZ LYS 11 -14.378 -1.704 1.492 83 H CYS 12 H CYS 12 -7.261 1.848 1.820 84 HA CYS 12 HA CYS 12 -6.365 -0.068 -0.212 85 HB2 CYS 12 2HB CYS 12 -4.791 1.254 -1.129 86 HB3 CYS 12 1HB CYS 12 -5.812 2.535 -0.529 87 HG CYS 12 HG CYS 12 -4.180 3.006 1.369 88 H SER 13 H SER 13 -4.246 -0.969 0.181 89 HA SER 13 HA SER 13 -3.491 -1.100 2.991 90 HB2 SER 13 2HB SER 13 -3.387 -3.474 1.132 91 HB3 SER 13 1HB SER 13 -3.119 -3.443 2.865 92 HG SER 13 HG SER 13 -5.162 -3.982 2.886 93 H HIS 14 H HIS 14 -1.266 -1.044 3.303 94 HA HIS 14 HA HIS 14 0.365 -1.169 0.886 95 HB2 HIS 14 2HB HIS 14 1.121 0.909 0.912 96 HB3 HIS 14 1HB HIS 14 -0.329 1.283 1.837 97 HD2 HIS 14 2HD HIS 14 0.827 0.204 4.817 98 HE1 HIS 14 1HE HIS 14 3.931 2.978 4.143 99 HE2 HIS 14 2HE HIS 14 2.766 1.588 5.902 100 H ILE 15 H ILE 15 2.500 -1.582 1.118 101 HA ILE 15 HA ILE 15 3.356 -2.611 3.739 102 HB ILE 15 HB ILE 15 3.667 -3.923 1.029 103 HG12 ILE 15 2HG1 ILE 15 2.418 -4.982 3.564 104 HG13 ILE 15 1HG1 ILE 15 1.464 -4.177 2.342 105 HG21 ILE 15 1HG2 ILE 15 5.203 -4.227 3.547 106 HG22 ILE 15 2HG2 ILE 15 5.619 -4.696 1.896 107 HG23 ILE 15 3HG2 ILE 15 4.580 -5.728 2.867 108 HD11 ILE 15 3HD1 ILE 15 1.754 -5.869 0.790 109 HD12 ILE 15 1HD1 ILE 15 1.720 -6.792 2.286 110 HD13 ILE 15 2HD1 ILE 15 3.267 -6.437 1.500 111 H LEU 16 H LEU 16 5.243 -1.741 4.344 112 HA LEU 16 HA LEU 16 6.841 -0.351 2.332 113 HB2 LEU 16 2HB LEU 16 6.714 -0.154 5.323 114 HB3 LEU 16 1HB LEU 16 8.169 0.340 4.501 115 HG LEU 16 HG LEU 16 5.520 1.350 3.519 116 HD11 LEU 16 1HD1 LEU 16 5.293 2.253 5.658 117 HD12 LEU 16 2HD1 LEU 16 6.404 3.447 5.002 118 HD13 LEU 16 3HD1 LEU 16 7.017 2.146 6.005 119 HD21 LEU 16 3HD2 LEU 16 8.346 1.788 2.936 120 HD22 LEU 16 1HD2 LEU 16 7.531 3.301 3.356 121 HD23 LEU 16 2HD2 LEU 16 6.916 2.306 2.055 122 H VAL 17 H VAL 17 8.759 -1.074 1.703 123 HA VAL 17 HA VAL 17 10.027 -3.251 3.223 124 HB VAL 17 HB VAL 17 10.647 -4.318 1.084 125 HG11 VAL 17 1HG1 VAL 17 8.243 -4.525 2.414 126 HG12 VAL 17 2HG1 VAL 17 8.693 -5.549 1.054 127 HG13 VAL 17 3HG1 VAL 17 7.703 -4.128 0.793 128 HG21 VAL 17 3HG2 VAL 17 8.767 -2.237 -0.120 129 HG22 VAL 17 1HG2 VAL 17 9.448 -3.613 -0.978 130 HG23 VAL 17 2HG2 VAL 17 10.513 -2.344 -0.402 131 H LYS 18 H LYS 18 12.289 -3.341 2.981 132 HA LYS 18 HA LYS 18 13.495 -0.807 3.073 133 HB2 LYS 18 2HB LYS 18 14.773 -3.538 2.827 134 HB3 LYS 18 1HB LYS 18 15.604 -2.032 3.211 135 HG2 LYS 18 2HG LYS 18 14.160 -1.711 5.202 136 HG3 LYS 18 1HG LYS 18 13.341 -3.220 4.822 137 HD2 LYS 18 2HD LYS 18 15.468 -4.438 4.990 138 HD3 LYS 18 1HD LYS 18 16.272 -2.946 5.502 139 HE2 LYS 18 2HE LYS 18 13.990 -4.338 6.929 140 HE3 LYS 18 1HE LYS 18 15.676 -4.317 7.440 141 HZ1 LYS 18 3HZ LYS 18 14.732 -1.639 7.015 142 HZ2 LYS 18 1HZ LYS 18 15.376 -2.354 8.400 143 HZ3 LYS 18 2HZ LYS 18 13.756 -2.500 8.130 144 H LYS 19 H LYS 19 13.451 -3.297 0.586 145 HA LYS 19 HA LYS 19 14.763 -1.377 -1.236 146 HB2 LYS 19 2HB LYS 19 15.221 -4.340 -0.993 147 HB3 LYS 19 1HB LYS 19 15.814 -3.364 -2.336 148 HG2 LYS 19 2HG LYS 19 16.989 -1.877 -0.768 149 HG3 LYS 19 1HG LYS 19 16.474 -2.851 0.600 150 HD2 LYS 19 2HD LYS 19 17.983 -4.193 -1.664 151 HD3 LYS 19 1HD LYS 19 18.834 -3.204 -0.491 152 HE2 LYS 19 2HE LYS 19 18.924 -5.345 0.439 153 HE3 LYS 19 1HE LYS 19 17.646 -4.555 1.348 154 HZ1 LYS 19 3HZ LYS 19 16.683 -5.838 -1.038 155 HZ2 LYS 19 1HZ LYS 19 16.143 -5.993 0.564 156 HZ3 LYS 19 2HZ LYS 19 17.462 -6.910 0.015 157 H GLN 20 H GLN 20 14.301 -1.386 -3.381 158 HA GLN 20 HA GLN 20 11.583 -1.725 -4.015 159 HB2 GLN 20 2HB GLN 20 13.036 -0.019 -5.079 160 HB3 GLN 20 1HB GLN 20 13.941 -1.288 -5.878 161 HG2 GLN 20 2HG GLN 20 12.045 -1.960 -7.176 162 HG3 GLN 20 1HG GLN 20 10.957 -0.933 -6.238 163 HE21 GLN 20 1HE2 GLN 20 11.350 -0.723 -9.169 164 HE22 GLN 20 2HE2 GLN 20 12.024 0.806 -9.432 165 H GLY 21 H GLY 21 14.449 -3.679 -4.589 166 HA2 GLY 21 2HA GLY 21 13.301 -5.613 -6.299 167 HA3 GLY 21 1HA GLY 21 14.676 -5.898 -5.217 168 H GLU 22 H GLU 22 13.329 -5.236 -2.809 169 HA GLU 22 HA GLU 22 12.061 -7.700 -2.155 170 HB2 GLU 22 2HB GLU 22 12.066 -5.023 -0.690 171 HB3 GLU 22 1HB GLU 22 11.449 -6.529 -0.075 172 HG2 GLU 22 2HG GLU 22 13.571 -7.611 -0.166 173 HG3 GLU 22 1HG GLU 22 14.305 -6.267 -1.036 174 H ALA 23 H ALA 23 10.949 -4.449 -2.915 175 HA ALA 23 HA ALA 23 8.185 -4.839 -2.539 176 HB1 ALA 23 1HB ALA 23 9.389 -3.071 -4.674 177 HB2 ALA 23 2HB ALA 23 9.323 -2.606 -2.972 178 HB3 ALA 23 3HB ALA 23 7.838 -2.874 -3.870 179 H LEU 24 H LEU 24 10.199 -5.250 -5.416 180 HA LEU 24 HA LEU 24 8.128 -6.164 -7.127 181 HB2 LEU 24 2HB LEU 24 11.120 -6.394 -7.190 182 HB3 LEU 24 1HB LEU 24 10.177 -7.378 -8.286 183 HG LEU 24 HG LEU 24 10.918 -5.180 -9.250 184 HD11 LEU 24 1HD1 LEU 24 8.464 -4.552 -9.958 185 HD12 LEU 24 2HD1 LEU 24 8.055 -6.056 -9.150 186 HD13 LEU 24 3HD1 LEU 24 9.211 -6.048 -10.490 187 HD21 LEU 24 3HD2 LEU 24 10.662 -3.717 -7.321 188 HD22 LEU 24 1HD2 LEU 24 8.920 -4.057 -7.229 189 HD23 LEU 24 2HD2 LEU 24 9.566 -3.205 -8.609 190 H ALA 25 H ALA 25 10.309 -7.865 -4.965 191 HA ALA 25 HA ALA 25 9.579 -10.480 -5.722 192 HB1 ALA 25 1HB ALA 25 11.506 -10.293 -4.359 193 HB2 ALA 25 2HB ALA 25 10.313 -11.100 -3.347 194 HB3 ALA 25 3HB ALA 25 10.644 -9.385 -3.116 195 H VAL 26 H VAL 26 8.306 -8.455 -3.087 196 HA VAL 26 HA VAL 26 6.314 -10.348 -2.371 197 HB VAL 26 HB VAL 26 5.321 -8.628 -0.994 198 HG11 VAL 26 1HG1 VAL 26 8.190 -7.905 -0.695 199 HG12 VAL 26 2HG1 VAL 26 7.828 -9.622 -0.637 200 HG13 VAL 26 3HG1 VAL 26 7.054 -8.507 0.500 201 HG21 VAL 26 3HG2 VAL 26 7.226 -6.690 -2.344 202 HG22 VAL 26 1HG2 VAL 26 6.070 -6.303 -1.078 203 HG23 VAL 26 2HG2 VAL 26 5.485 -6.753 -2.672 204 H GLN 27 H GLN 27 6.303 -7.634 -4.616 205 HA GLN 27 HA GLN 27 3.538 -7.588 -5.167 206 HB2 GLN 27 2HB GLN 27 5.942 -6.936 -6.878 207 HB3 GLN 27 1HB GLN 27 4.290 -6.717 -7.439 208 HG2 GLN 27 2HG GLN 27 3.791 -5.160 -5.730 209 HG3 GLN 27 1HG GLN 27 5.265 -5.475 -4.840 210 HE21 GLN 27 1HE2 GLN 27 4.232 -2.911 -6.160 211 HE22 GLN 27 2HE2 GLN 27 5.512 -2.453 -7.169 212 H GLU 28 H GLU 28 6.162 -9.447 -6.670 213 HA GLU 28 HA GLU 28 4.489 -10.862 -8.479 214 HB2 GLU 28 2HB GLU 28 7.168 -11.607 -7.284 215 HB3 GLU 28 1HB GLU 28 6.394 -12.535 -8.555 216 HG2 GLU 28 2HG GLU 28 6.349 -10.405 -9.967 217 HG3 GLU 28 1HG GLU 28 7.242 -9.637 -8.677 218 H ARG 29 H ARG 29 5.468 -11.370 -5.175 219 HA ARG 29 HA ARG 29 4.352 -13.956 -4.895 220 HB2 ARG 29 2HB ARG 29 5.977 -13.026 -3.271 221 HB3 ARG 29 1HB ARG 29 4.757 -11.866 -2.743 222 HG2 ARG 29 2HG ARG 29 3.255 -13.686 -2.089 223 HG3 ARG 29 1HG ARG 29 4.428 -14.873 -2.657 224 HD2 ARG 29 2HD ARG 29 6.051 -14.113 -1.001 225 HD3 ARG 29 1HD ARG 29 4.927 -12.872 -0.449 226 HE ARG 29 HE ARG 29 3.747 -15.472 -0.369 227 HH11 ARG 29 1HH2 ARG 29 6.031 -13.393 1.260 228 HH12 ARG 29 2HH2 ARG 29 5.698 -14.024 2.820 229 HH21 ARG 29 1HH1 ARG 29 3.272 -16.265 1.694 230 HH22 ARG 29 2HH1 ARG 29 4.115 -15.639 3.094 231 H LEU 30 H LEU 30 2.986 -10.717 -4.579 232 HA LEU 30 HA LEU 30 0.448 -11.505 -3.557 233 HB2 LEU 30 2HB LEU 30 1.564 -9.091 -4.903 234 HB3 LEU 30 1HB LEU 30 -0.174 -9.285 -4.959 235 HG LEU 30 HG LEU 30 0.510 -7.944 -3.022 236 HD11 LEU 30 1HD1 LEU 30 -1.129 -8.824 -1.757 237 HD12 LEU 30 2HD1 LEU 30 -0.304 -10.369 -1.589 238 HD13 LEU 30 3HD1 LEU 30 -1.268 -10.033 -3.026 239 HD21 LEU 30 3HD2 LEU 30 2.126 -10.423 -2.278 240 HD22 LEU 30 1HD2 LEU 30 1.666 -9.156 -1.137 241 HD23 LEU 30 2HD2 LEU 30 2.702 -8.761 -2.498 242 H LYS 31 H LYS 31 1.868 -11.145 -6.709 243 HA LYS 31 HA LYS 31 -0.460 -11.692 -8.206 244 HB2 LYS 31 2HB LYS 31 2.424 -12.279 -8.944 245 HB3 LYS 31 1HB LYS 31 1.055 -12.224 -10.049 246 HG2 LYS 31 2HG LYS 31 2.131 -9.877 -8.431 247 HG3 LYS 31 1HG LYS 31 2.270 -10.113 -10.159 248 HD2 LYS 31 2HD LYS 31 -0.313 -10.284 -10.101 249 HD3 LYS 31 1HD LYS 31 -0.179 -9.555 -8.536 250 HE2 LYS 31 2HE LYS 31 0.970 -7.578 -9.367 251 HE3 LYS 31 1HE LYS 31 1.111 -8.290 -10.969 252 HZ1 LYS 31 3HZ LYS 31 -1.396 -8.348 -11.007 253 HZ2 LYS 31 1HZ LYS 31 -0.689 -6.853 -11.121 254 HZ3 LYS 31 2HZ LYS 31 -1.401 -7.259 -9.687 255 H ALA 32 H ALA 32 1.723 -13.723 -6.397 256 HA ALA 32 HA ALA 32 1.006 -16.205 -7.550 257 HB1 ALA 32 1HB ALA 32 3.003 -15.664 -5.966 258 HB2 ALA 32 2HB ALA 32 2.165 -17.200 -5.791 259 HB3 ALA 32 3HB ALA 32 1.835 -15.893 -4.667 260 H GLY 33 H GLY 33 -0.598 -14.005 -5.449 261 HA2 GLY 33 2HA GLY 33 -2.962 -14.193 -5.165 262 HA3 GLY 33 1HA GLY 33 -2.807 -15.935 -5.130 263 H GLU 34 H GLU 34 -0.276 -14.922 -3.329 264 HA GLU 34 HA GLU 34 -1.482 -15.682 -0.878 265 HB2 GLU 34 2HB GLU 34 1.128 -14.234 -1.398 266 HB3 GLU 34 1HB GLU 34 0.647 -14.822 0.184 267 HG2 GLU 34 2HG GLU 34 0.269 -17.114 -1.193 268 HG3 GLU 34 1HG GLU 34 1.420 -16.373 -2.251 269 H LYS 35 H LYS 35 -1.981 -14.440 0.942 270 HA LYS 35 HA LYS 35 -3.557 -12.218 0.340 271 HB2 LYS 35 2HB LYS 35 -3.616 -13.865 2.397 272 HB3 LYS 35 1HB LYS 35 -2.609 -12.636 3.154 273 HG2 LYS 35 2HG LYS 35 -4.310 -10.925 2.759 274 HG3 LYS 35 1HG LYS 35 -5.296 -12.070 1.862 275 HD2 LYS 35 2HD LYS 35 -5.498 -13.492 3.865 276 HD3 LYS 35 1HD LYS 35 -4.578 -12.326 4.814 277 HE2 LYS 35 2HE LYS 35 -7.245 -11.869 3.434 278 HE3 LYS 35 1HE LYS 35 -6.967 -11.984 5.165 279 HZ1 LYS 35 3HZ LYS 35 -7.087 -9.716 4.636 280 HZ2 LYS 35 1HZ LYS 35 -6.064 -9.840 3.324 281 HZ3 LYS 35 2HZ LYS 35 -5.474 -9.963 4.928 282 H PHE 36 H PHE 36 -3.218 -10.088 0.360 283 HA PHE 36 HA PHE 36 -0.653 -8.913 0.285 284 HB2 PHE 36 2HB PHE 36 -2.785 -7.892 -0.604 285 HB3 PHE 36 1HB PHE 36 -3.270 -7.564 1.048 286 HD1 PHE 36 1HD PHE 36 -0.807 -6.752 -1.593 287 HD2 PHE 36 2HD PHE 36 -2.217 -5.809 2.360 288 HE1 PHE 36 1HE PHE 36 0.525 -4.675 -1.618 289 HE2 PHE 36 2HE PHE 36 -0.876 -3.725 2.331 290 HZ PHE 36 HZ PHE 36 0.496 -3.157 0.333 291 H GLY 37 H GLY 37 -3.067 -9.145 2.821 292 HA2 GLY 37 2HA GLY 37 -1.664 -7.807 4.835 293 HA3 GLY 37 1HA GLY 37 -2.950 -9.028 5.064 294 H LYS 38 H LYS 38 -1.537 -11.123 3.713 295 HA LYS 38 HA LYS 38 -0.086 -12.261 5.860 296 HB2 LYS 38 2HB LYS 38 -1.183 -13.567 4.058 297 HB3 LYS 38 1HB LYS 38 0.020 -12.988 2.903 298 HG2 LYS 38 2HG LYS 38 1.785 -14.085 4.295 299 HG3 LYS 38 1HG LYS 38 0.520 -14.679 5.370 300 HD2 LYS 38 2HD LYS 38 -0.572 -15.829 3.477 301 HD3 LYS 38 1HD LYS 38 0.716 -15.265 2.410 302 HE2 LYS 38 2HE LYS 38 2.379 -16.511 3.743 303 HE3 LYS 38 1HE LYS 38 1.117 -17.071 4.819 304 HZ1 LYS 38 3HZ LYS 38 1.339 -17.618 1.914 305 HZ2 LYS 38 1HZ LYS 38 0.023 -18.121 2.857 306 HZ3 LYS 38 2HZ LYS 38 1.570 -18.727 3.180 307 H LEU 39 H LEU 39 0.903 -10.720 2.827 308 HA LEU 39 HA LEU 39 3.704 -10.774 3.313 309 HB2 LEU 39 2HB LEU 39 1.949 -9.128 1.499 310 HB3 LEU 39 1HB LEU 39 3.613 -8.681 1.757 311 HG LEU 39 HG LEU 39 3.267 -10.211 -0.227 312 HD11 LEU 39 1HD1 LEU 39 5.355 -11.001 0.017 313 HD12 LEU 39 2HD1 LEU 39 5.043 -11.694 1.615 314 HD13 LEU 39 3HD1 LEU 39 5.362 -9.979 1.446 315 HD21 LEU 39 3HD2 LEU 39 2.798 -12.537 0.119 316 HD22 LEU 39 1HD2 LEU 39 1.564 -11.671 1.019 317 HD23 LEU 39 2HD2 LEU 39 2.933 -12.394 1.869 318 H ALA 40 H ALA 40 1.127 -8.464 4.073 319 HA ALA 40 HA ALA 40 2.754 -6.420 4.897 320 HB1 ALA 40 1HB ALA 40 0.233 -6.353 4.576 321 HB2 ALA 40 2HB ALA 40 0.867 -5.434 5.931 322 HB3 ALA 40 3HB ALA 40 0.105 -7.008 6.213 323 H LYS 41 H LYS 41 1.312 -9.074 6.678 324 HA LYS 41 HA LYS 41 2.473 -8.545 9.233 325 HB2 LYS 41 2HB LYS 41 1.399 -11.059 7.970 326 HB3 LYS 41 1HB LYS 41 1.900 -10.933 9.659 327 HG2 LYS 41 2HG LYS 41 -0.186 -9.142 8.398 328 HG3 LYS 41 1HG LYS 41 -0.589 -10.641 9.212 329 HD2 LYS 41 2HD LYS 41 0.497 -9.800 11.297 330 HD3 LYS 41 1HD LYS 41 0.841 -8.275 10.496 331 HE2 LYS 41 2HE LYS 41 -1.259 -8.186 11.869 332 HE3 LYS 41 1HE LYS 41 -1.501 -7.835 10.170 333 HZ1 LYS 41 3HZ LYS 41 -2.534 -9.714 9.755 334 HZ2 LYS 41 1HZ LYS 41 -3.033 -9.560 11.351 335 HZ3 LYS 41 2HZ LYS 41 -1.790 -10.658 10.954 336 H GLU 42 H GLU 42 3.433 -10.511 6.456 337 HA GLU 42 HA GLU 42 5.510 -11.836 7.808 338 HB2 GLU 42 2HB GLU 42 4.842 -11.468 4.936 339 HB3 GLU 42 1HB GLU 42 6.328 -12.253 5.322 340 HG2 GLU 42 2HG GLU 42 4.764 -13.804 6.873 341 HG3 GLU 42 1HG GLU 42 3.494 -13.138 5.894 342 H LEU 43 H LEU 43 5.774 -9.199 5.405 343 HA LEU 43 HA LEU 43 8.566 -8.957 6.311 344 HB2 LEU 43 2HB LEU 43 9.315 -9.318 4.286 345 HB3 LEU 43 1HB LEU 43 7.696 -9.809 3.856 346 HG LEU 43 HG LEU 43 8.389 -8.265 2.205 347 HD11 LEU 43 1HD1 LEU 43 6.910 -6.151 3.544 348 HD12 LEU 43 2HD1 LEU 43 6.133 -7.738 3.743 349 HD13 LEU 43 3HD1 LEU 43 6.499 -7.128 2.150 350 HD21 LEU 43 3HD2 LEU 43 9.864 -6.632 2.542 351 HD22 LEU 43 1HD2 LEU 43 10.009 -7.191 4.200 352 HD23 LEU 43 2HD2 LEU 43 8.902 -5.869 3.813 353 H SER 44 H SER 44 5.847 -6.881 5.637 354 HA SER 44 HA SER 44 6.921 -4.520 5.064 355 HB2 SER 44 2HB SER 44 5.049 -4.593 7.394 356 HB3 SER 44 1HB SER 44 5.114 -3.471 6.060 357 HG SER 44 HG SER 44 4.041 -5.987 6.278 358 H ILE 45 H ILE 45 8.173 -2.963 5.932 359 HA ILE 45 HA ILE 45 9.455 -3.434 8.519 360 HB ILE 45 HB ILE 45 10.804 -1.473 7.992 361 HG12 ILE 45 2HG1 ILE 45 9.170 -1.257 5.440 362 HG13 ILE 45 1HG1 ILE 45 8.984 -0.166 6.828 363 HG21 ILE 45 1HG2 ILE 45 12.116 -2.677 6.602 364 HG22 ILE 45 2HG2 ILE 45 10.931 -2.640 5.311 365 HG23 ILE 45 3HG2 ILE 45 10.828 -3.877 6.550 366 HD11 ILE 45 3HD1 ILE 45 10.923 0.943 6.363 367 HD12 ILE 45 1HD1 ILE 45 10.652 0.316 4.740 368 HD13 ILE 45 2HD1 ILE 45 11.758 -0.520 5.802 369 H ASP 46 H ASP 46 6.728 -2.029 7.229 370 HA ASP 46 HA ASP 46 6.358 0.036 9.265 371 HB2 ASP 46 2HB ASP 46 5.620 0.404 6.921 372 HB3 ASP 46 1HB ASP 46 4.490 -0.934 7.086 373 H GLY 47 H GLY 47 6.128 -1.002 11.181 374 HA2 GLY 47 2HA GLY 47 4.649 -3.386 11.565 375 HA3 GLY 47 1HA GLY 47 5.170 -2.272 12.832 376 H GLY 48 H GLY 48 3.884 0.036 12.131 377 HA2 GLY 48 2HA GLY 48 1.444 -0.237 13.376 378 HA3 GLY 48 1HA GLY 48 1.860 1.137 12.367 379 H SER 49 H SER 49 2.090 -0.058 9.902 380 HA SER 49 HA SER 49 -0.660 -0.446 9.196 381 HB2 SER 49 2HB SER 49 1.779 -0.923 7.471 382 HB3 SER 49 1HB SER 49 0.124 -0.725 6.924 383 HG SER 49 HG SER 49 1.999 1.116 7.686 384 H ALA 50 H ALA 50 2.064 -2.542 9.913 385 HA ALA 50 HA ALA 50 1.023 -4.904 8.762 386 HB1 ALA 50 1HB ALA 50 3.409 -4.538 9.539 387 HB2 ALA 50 2HB ALA 50 2.666 -6.069 9.984 388 HB3 ALA 50 3HB ALA 50 2.807 -4.778 11.185 389 H LYS 51 H LYS 51 0.345 -3.170 11.641 390 HA LYS 51 HA LYS 51 -0.831 -5.271 13.159 391 HB2 LYS 51 2HB LYS 51 -1.463 -2.311 13.150 392 HB3 LYS 51 1HB LYS 51 -1.982 -3.466 14.375 393 HG2 LYS 51 2HG LYS 51 0.916 -2.850 13.697 394 HG3 LYS 51 1HG LYS 51 0.063 -2.201 15.082 395 HD2 LYS 51 2HD LYS 51 -0.302 -4.463 15.970 396 HD3 LYS 51 1HD LYS 51 0.533 -5.184 14.602 397 HE2 LYS 51 2HE LYS 51 1.759 -3.189 16.507 398 HE3 LYS 51 1HE LYS 51 2.012 -4.936 16.580 399 HZ1 LYS 51 3HZ LYS 51 2.704 -4.554 14.070 400 HZ2 LYS 51 1HZ LYS 51 3.778 -4.300 15.337 401 HZ3 LYS 51 2HZ LYS 51 3.033 -2.979 14.657 402 H ARG 52 H ARG 52 -1.999 -3.125 10.669 403 HA ARG 52 HA ARG 52 -4.597 -4.497 10.739 404 HB2 ARG 52 2HB ARG 52 -3.766 -2.015 9.218 405 HB3 ARG 52 1HB ARG 52 -5.349 -2.764 9.171 406 HG2 ARG 52 2HG ARG 52 -5.332 -2.514 11.766 407 HG3 ARG 52 1HG ARG 52 -4.025 -1.365 11.500 408 HD2 ARG 52 2HD ARG 52 -6.817 -1.219 10.336 409 HD3 ARG 52 1HD ARG 52 -6.183 -0.181 11.579 410 HE ARG 52 HE ARG 52 -5.692 -0.038 8.728 411 HH11 ARG 52 1HH2 ARG 52 -4.425 0.736 11.872 412 HH12 ARG 52 2HH2 ARG 52 -3.739 2.236 11.431 413 HH21 ARG 52 1HH1 ARG 52 -4.827 2.046 8.098 414 HH22 ARG 52 2HH1 ARG 52 -3.963 2.995 9.225 415 H ASP 53 H ASP 53 -1.950 -5.546 9.711 416 HA ASP 53 HA ASP 53 -1.232 -6.873 7.969 417 HB2 ASP 53 2HB ASP 53 -4.141 -6.785 7.094 418 HB3 ASP 53 1HB ASP 53 -2.913 -7.772 6.434 419 H GLY 54 H GLY 54 -1.225 -3.974 7.818 420 HA2 GLY 54 2HA GLY 54 -0.427 -2.493 6.239 421 HA3 GLY 54 1HA GLY 54 -0.673 -3.687 4.987 422 H SER 55 H SER 55 -3.538 -3.828 6.492 423 HA SER 55 HA SER 55 -4.898 -2.362 4.496 424 HB2 SER 55 2HB SER 55 -6.215 -3.124 7.098 425 HB3 SER 55 1HB SER 55 -6.864 -3.149 5.467 426 HG SER 55 HG SER 55 -5.223 -4.902 6.848 427 H LEU 56 H LEU 56 -4.134 -0.281 4.503 428 HA LEU 56 HA LEU 56 -3.959 1.376 6.751 429 HB2 LEU 56 2HB LEU 56 -4.270 2.033 3.826 430 HB3 LEU 56 1HB LEU 56 -3.978 3.255 5.049 431 HG LEU 56 HG LEU 56 -2.160 0.875 4.501 432 HD11 LEU 56 1HD1 LEU 56 -2.163 2.483 2.699 433 HD12 LEU 56 2HD1 LEU 56 -0.626 2.569 3.588 434 HD13 LEU 56 3HD1 LEU 56 -1.849 3.803 3.820 435 HD21 LEU 56 3HD2 LEU 56 -1.946 1.571 6.841 436 HD22 LEU 56 1HD2 LEU 56 -1.908 3.273 6.371 437 HD23 LEU 56 2HD2 LEU 56 -0.585 2.205 5.947 438 H GLY 57 H GLY 57 -6.491 0.814 4.385 439 HA2 GLY 57 2HA GLY 57 -8.802 0.838 4.958 440 HA3 GLY 57 1HA GLY 57 -8.466 2.001 6.242 441 H TYR 58 H TYR 58 -10.105 3.393 5.415 442 HA TYR 58 HA TYR 58 -9.900 4.433 2.727 443 HB2 TYR 58 2HB TYR 58 -11.563 6.088 4.388 444 HB3 TYR 58 1HB TYR 58 -12.062 5.078 3.065 445 HD1 TYR 58 1HD TYR 58 -11.297 5.135 6.708 446 HD2 TYR 58 2HD TYR 58 -13.160 2.962 3.495 447 HE1 TYR 58 1HE TYR 58 -12.369 3.626 8.343 448 HE2 TYR 58 2HE TYR 58 -14.219 1.459 5.134 449 HH TYR 58 HH TYR 58 -14.861 1.955 7.880 450 H PHE 59 H PHE 59 -8.894 6.322 2.145 451 HA PHE 59 HA PHE 59 -8.330 8.326 4.211 452 HB2 PHE 59 2HB PHE 59 -6.024 8.608 3.532 453 HB3 PHE 59 1HB PHE 59 -6.258 6.955 4.072 454 HD1 PHE 59 1HD PHE 59 -6.395 5.076 2.376 455 HD2 PHE 59 2HD PHE 59 -5.501 9.136 1.231 456 HE1 PHE 59 1HE PHE 59 -5.507 4.285 0.263 457 HE2 PHE 59 2HE PHE 59 -4.631 8.301 -0.925 458 HZ PHE 59 HZ PHE 59 -4.618 5.887 -1.405 459 H GLY 60 H GLY 60 -7.923 10.430 3.370 460 HA2 GLY 60 2HA GLY 60 -9.165 10.785 0.744 461 HA3 GLY 60 1HA GLY 60 -9.093 12.025 1.944 462 H ARG 61 H ARG 61 -8.241 12.888 -0.427 463 HA ARG 61 HA ARG 61 -5.554 12.306 -1.077 464 HB2 ARG 61 2HB ARG 61 -7.225 14.734 -1.837 465 HB3 ARG 61 1HB ARG 61 -5.736 14.188 -2.602 466 HG2 ARG 61 2HG ARG 61 -6.716 12.130 -3.286 467 HG3 ARG 61 1HG ARG 61 -8.219 12.458 -2.423 468 HD2 ARG 61 2HD ARG 61 -8.827 13.129 -4.576 469 HD3 ARG 61 1HD ARG 61 -8.251 14.631 -3.935 470 HE ARG 61 HE ARG 61 -6.259 14.424 -5.214 471 HH11 ARG 61 1HH2 ARG 61 -8.497 11.745 -5.606 472 HH12 ARG 61 2HH2 ARG 61 -7.818 11.170 -7.051 473 HH21 ARG 61 1HH1 ARG 61 -5.334 13.639 -7.204 474 HH22 ARG 61 2HH1 ARG 61 -6.005 12.262 -7.970 475 H GLY 62 H GLY 62 -3.734 13.309 -0.491 476 HA2 GLY 62 2HA GLY 62 -2.372 14.866 0.425 477 HA3 GLY 62 1HA GLY 62 -3.728 15.800 1.042 478 H LYS 63 H LYS 63 -4.408 12.693 1.819 479 HA LYS 63 HA LYS 63 -3.759 12.990 4.593 480 HB2 LYS 63 2HB LYS 63 -5.740 11.715 3.789 481 HB3 LYS 63 1HB LYS 63 -4.658 10.513 3.098 482 HG2 LYS 63 2HG LYS 63 -5.419 9.718 5.243 483 HG3 LYS 63 1HG LYS 63 -3.705 10.107 5.408 484 HD2 LYS 63 2HD LYS 63 -4.206 12.198 6.502 485 HD3 LYS 63 1HD LYS 63 -5.925 12.078 6.165 486 HE2 LYS 63 2HE LYS 63 -4.270 10.607 8.204 487 HE3 LYS 63 1HE LYS 63 -5.839 11.365 8.381 488 HZ1 LYS 63 3HZ LYS 63 -6.571 9.465 6.703 489 HZ2 LYS 63 1HZ LYS 63 -6.411 9.163 8.346 490 HZ3 LYS 63 2HZ LYS 63 -5.192 8.714 7.287 491 H MET 64 H MET 64 -2.438 11.211 1.856 492 HA MET 64 HA MET 64 -0.030 10.577 3.426 493 HB2 MET 64 2HB MET 64 -1.440 8.826 1.403 494 HB3 MET 64 1HB MET 64 0.207 8.546 1.963 495 HG2 MET 64 2HG MET 64 -0.544 8.393 4.273 496 HG3 MET 64 1HG MET 64 -2.221 8.681 3.800 497 HE1 MET 64 3HE MET 64 -3.650 7.341 2.669 498 HE2 MET 64 1HE MET 64 -3.489 5.654 2.185 499 HE3 MET 64 2HE MET 64 -2.809 6.945 1.205 500 H VAL 65 H VAL 65 1.891 10.273 2.111 501 HA VAL 65 HA VAL 65 2.468 12.560 0.706 502 HB VAL 65 HB VAL 65 4.510 11.415 -0.084 503 HG11 VAL 65 1HG1 VAL 65 4.232 12.195 2.301 504 HG12 VAL 65 2HG1 VAL 65 5.414 10.913 2.075 505 HG13 VAL 65 3HG1 VAL 65 3.822 10.536 2.726 506 HG21 VAL 65 3HG2 VAL 65 4.079 9.225 -0.699 507 HG22 VAL 65 1HG2 VAL 65 2.841 9.009 0.542 508 HG23 VAL 65 2HG2 VAL 65 4.538 8.922 0.973 509 H LYS 66 H LYS 66 2.448 13.214 -1.384 510 HA LYS 66 HA LYS 66 0.474 12.488 -3.106 511 HB2 LYS 66 2HB LYS 66 3.124 13.818 -3.589 512 HB3 LYS 66 1HB LYS 66 2.101 13.421 -4.956 513 HG2 LYS 66 2HG LYS 66 0.265 14.600 -3.282 514 HG3 LYS 66 1HG LYS 66 1.732 15.471 -2.853 515 HD2 LYS 66 2HD LYS 66 2.008 15.578 -5.528 516 HD3 LYS 66 1HD LYS 66 0.254 15.435 -5.463 517 HE2 LYS 66 2HE LYS 66 1.970 17.567 -4.157 518 HE3 LYS 66 1HE LYS 66 0.807 17.779 -5.452 519 HZ1 LYS 66 3HZ LYS 66 -0.258 18.446 -3.450 520 HZ2 LYS 66 1HZ LYS 66 0.223 17.076 -2.616 521 HZ3 LYS 66 2HZ LYS 66 -0.942 16.952 -3.816 522 HA PRO 67 HA PRO 67 3.614 9.529 -5.534 523 HB2 PRO 67 2HB PRO 67 4.884 8.456 -3.063 524 HB3 PRO 67 1HB PRO 67 5.559 8.679 -4.680 525 HG2 PRO 67 2HG PRO 67 6.147 10.320 -2.679 526 HG3 PRO 67 1HG PRO 67 6.062 10.881 -4.342 527 HD2 PRO 67 2HD PRO 67 4.231 11.474 -2.113 528 HD3 PRO 67 1HD PRO 67 4.441 12.309 -3.666 529 H PHE 68 H PHE 68 2.770 8.793 -2.187 530 HA PHE 68 HA PHE 68 1.940 6.120 -2.557 531 HB2 PHE 68 2HB PHE 68 2.465 7.138 -0.352 532 HB3 PHE 68 1HB PHE 68 0.958 8.055 -0.444 533 HD1 PHE 68 1HD PHE 68 -1.234 6.878 -0.506 534 HD2 PHE 68 2HD PHE 68 2.477 4.799 0.123 535 HE1 PHE 68 1HE PHE 68 -2.469 4.912 0.313 536 HE2 PHE 68 2HE PHE 68 1.249 2.856 0.937 537 HZ PHE 68 HZ PHE 68 -1.249 2.893 1.027 538 H GLU 69 H GLU 69 0.089 9.126 -2.347 539 HA GLU 69 HA GLU 69 -2.420 7.901 -2.742 540 HB2 GLU 69 2HB GLU 69 -1.501 10.752 -3.144 541 HB3 GLU 69 1HB GLU 69 -3.182 10.259 -3.277 542 HG2 GLU 69 2HG GLU 69 -3.058 9.344 -0.931 543 HG3 GLU 69 1HG GLU 69 -1.412 9.922 -0.839 544 H ASP 70 H ASP 70 -0.109 9.339 -4.924 545 HA ASP 70 HA ASP 70 -1.658 9.256 -7.259 546 HB2 ASP 70 2HB ASP 70 0.387 10.515 -7.244 547 HB3 ASP 70 1HB ASP 70 1.348 9.081 -6.909 548 H ALA 71 H ALA 71 0.486 6.842 -5.831 549 HA ALA 71 HA ALA 71 0.055 4.898 -7.894 550 HB1 ALA 71 1HB ALA 71 0.822 3.284 -6.011 551 HB2 ALA 71 2HB ALA 71 1.157 4.742 -5.096 552 HB3 ALA 71 3HB ALA 71 1.968 4.458 -6.646 553 H ALA 72 H ALA 72 -1.517 5.617 -4.822 554 HA ALA 72 HA ALA 72 -3.091 3.295 -4.662 555 HB1 ALA 72 1HB ALA 72 -4.210 4.285 -2.910 556 HB2 ALA 72 2HB ALA 72 -4.065 5.911 -3.606 557 HB3 ALA 72 3HB ALA 72 -2.658 5.138 -2.876 558 H PHE 73 H PHE 73 -3.786 6.417 -6.177 559 HA PHE 73 HA PHE 73 -6.493 5.876 -6.694 560 HB2 PHE 73 2HB PHE 73 -4.565 7.825 -7.938 561 HB3 PHE 73 1HB PHE 73 -6.187 7.620 -8.597 562 HD1 PHE 73 1HD PHE 73 -8.177 7.712 -6.953 563 HD2 PHE 73 2HD PHE 73 -4.262 9.204 -6.013 564 HE1 PHE 73 1HE PHE 73 -9.138 9.055 -5.130 565 HE2 PHE 73 2HE PHE 73 -5.221 10.552 -4.176 566 HZ PHE 73 HZ PHE 73 -7.682 10.473 -3.729 567 H ARG 74 H ARG 74 -3.676 4.946 -8.404 568 HA ARG 74 HA ARG 74 -4.886 4.145 -10.846 569 HB2 ARG 74 2HB ARG 74 -2.419 3.110 -9.430 570 HB3 ARG 74 1HB ARG 74 -2.957 2.534 -11.002 571 HG2 ARG 74 2HG ARG 74 -2.778 4.820 -11.929 572 HG3 ARG 74 1HG ARG 74 -2.299 5.425 -10.348 573 HD2 ARG 74 2HD ARG 74 -0.309 5.042 -11.763 574 HD3 ARG 74 1HD ARG 74 -0.302 3.988 -10.359 575 HE ARG 74 HE ARG 74 -1.574 2.642 -12.499 576 HH11 ARG 74 1HH2 ARG 74 1.566 3.827 -11.565 577 HH12 ARG 74 2HH2 ARG 74 2.431 2.595 -12.388 578 HH21 ARG 74 1HH1 ARG 74 -0.427 0.982 -13.570 579 HH22 ARG 74 2HH1 ARG 74 1.284 0.953 -13.559 580 H LEU 75 H LEU 75 -4.485 2.566 -7.736 581 HA LEU 75 HA LEU 75 -5.368 0.003 -8.773 582 HB2 LEU 75 2HB LEU 75 -4.720 0.753 -5.946 583 HB3 LEU 75 1HB LEU 75 -4.894 -0.859 -6.600 584 HG LEU 75 HG LEU 75 -2.796 1.151 -7.436 585 HD11 LEU 75 1HD1 LEU 75 -3.000 -0.840 -5.336 586 HD12 LEU 75 2HD1 LEU 75 -1.781 0.397 -5.560 587 HD13 LEU 75 3HD1 LEU 75 -1.681 -1.160 -6.430 588 HD21 LEU 75 3HD2 LEU 75 -2.570 -0.150 -9.283 589 HD22 LEU 75 1HD2 LEU 75 -3.814 -1.268 -8.728 590 HD23 LEU 75 2HD2 LEU 75 -2.157 -1.498 -8.231 591 H GLN 76 H GLN 76 -7.234 2.546 -8.002 592 HA GLN 76 HA GLN 76 -8.943 1.667 -6.021 593 HB2 GLN 76 2HB GLN 76 -9.646 3.202 -8.544 594 HB3 GLN 76 1HB GLN 76 -10.732 2.983 -7.173 595 HG2 GLN 76 2HG GLN 76 -9.060 4.068 -5.671 596 HG3 GLN 76 1HG GLN 76 -7.995 4.274 -7.028 597 HE21 GLN 76 1HE2 GLN 76 -10.395 5.875 -5.294 598 HE22 GLN 76 2HE2 GLN 76 -10.791 7.045 -6.455 599 H VAL 77 H VAL 77 -8.579 0.481 -9.226 600 HA VAL 77 HA VAL 77 -10.960 -1.009 -9.424 601 HB VAL 77 HB VAL 77 -9.202 -0.428 -11.242 602 HG11 VAL 77 1HG1 VAL 77 -7.347 -1.647 -9.958 603 HG12 VAL 77 2HG1 VAL 77 -7.491 -1.996 -11.674 604 HG13 VAL 77 3HG1 VAL 77 -8.115 -3.143 -10.494 605 HG21 VAL 77 3HG2 VAL 77 -9.864 -2.475 -12.539 606 HG22 VAL 77 1HG2 VAL 77 -11.217 -1.660 -11.766 607 HG23 VAL 77 2HG2 VAL 77 -10.549 -3.134 -11.058 608 H GLY 78 H GLY 78 -7.893 -1.740 -7.810 609 HA2 GLY 78 2HA GLY 78 -8.157 -3.326 -5.860 610 HA3 GLY 78 1HA GLY 78 -9.059 -4.337 -6.948 611 H GLU 79 H GLU 79 -5.920 -2.672 -7.346 612 HA GLU 79 HA GLU 79 -4.734 -5.307 -7.934 613 HB2 GLU 79 2HB GLU 79 -5.202 -3.232 -9.762 614 HB3 GLU 79 1HB GLU 79 -3.484 -3.180 -9.410 615 HG2 GLU 79 2HG GLU 79 -4.877 -5.790 -10.023 616 HG3 GLU 79 1HG GLU 79 -4.304 -4.729 -11.307 617 H VAL 80 H VAL 80 -2.280 -5.087 -8.119 618 HA VAL 80 HA VAL 80 -1.258 -3.759 -5.697 619 HB VAL 80 HB VAL 80 0.019 -5.820 -7.530 620 HG11 VAL 80 1HG1 VAL 80 1.022 -4.495 -5.013 621 HG12 VAL 80 2HG1 VAL 80 1.784 -4.538 -6.608 622 HG13 VAL 80 3HG1 VAL 80 1.672 -6.008 -5.642 623 HG21 VAL 80 3HG2 VAL 80 -0.266 -7.346 -5.646 624 HG22 VAL 80 1HG2 VAL 80 -1.843 -6.726 -6.136 625 HG23 VAL 80 2HG2 VAL 80 -1.039 -6.089 -4.690 626 H SER 81 H SER 81 0.012 -2.025 -5.875 627 HA SER 81 HA SER 81 0.408 -0.758 -8.427 628 HB2 SER 81 2HB SER 81 1.615 0.911 -6.901 629 HB3 SER 81 1HB SER 81 -0.117 0.727 -6.689 630 HG SER 81 HG SER 81 0.303 -0.624 -4.927 631 H GLU 82 H GLU 82 2.532 0.118 -9.051 632 HA GLU 82 HA GLU 82 4.643 -1.838 -8.922 633 HB2 GLU 82 2HB GLU 82 5.709 0.688 -9.712 634 HB3 GLU 82 1HB GLU 82 5.323 -0.684 -10.772 635 HG2 GLU 82 2HG GLU 82 3.007 0.249 -10.978 636 HG3 GLU 82 1HG GLU 82 3.535 1.565 -9.902 637 HA PRO 83 HA PRO 83 6.607 -0.452 -5.257 638 HB2 PRO 83 2HB PRO 83 9.137 0.232 -5.817 639 HB3 PRO 83 1HB PRO 83 8.591 -1.452 -5.867 640 HG2 PRO 83 2HG PRO 83 9.010 0.434 -8.133 641 HG3 PRO 83 1HG PRO 83 9.435 -1.279 -8.010 642 HD2 PRO 83 2HD PRO 83 7.250 -0.421 -9.323 643 HD3 PRO 83 1HD PRO 83 7.258 -2.005 -8.553 644 H VAL 84 H VAL 84 6.624 1.412 -4.101 645 HA VAL 84 HA VAL 84 6.806 3.992 -5.542 646 HB VAL 84 HB VAL 84 5.063 3.106 -3.234 647 HG11 VAL 84 1HG1 VAL 84 5.907 5.859 -4.068 648 HG12 VAL 84 2HG1 VAL 84 5.550 5.224 -2.466 649 HG13 VAL 84 3HG1 VAL 84 4.235 5.606 -3.574 650 HG21 VAL 84 3HG2 VAL 84 4.350 2.706 -5.675 651 HG22 VAL 84 1HG2 VAL 84 4.247 4.468 -5.815 652 HG23 VAL 84 2HG2 VAL 84 3.235 3.601 -4.657 653 H LYS 85 H LYS 85 8.313 5.350 -4.819 654 HA LYS 85 HA LYS 85 9.706 4.581 -2.343 655 HB2 LYS 85 2HB LYS 85 11.179 4.568 -4.317 656 HB3 LYS 85 1HB LYS 85 10.744 6.242 -4.648 657 HG2 LYS 85 2HG LYS 85 12.889 6.160 -3.459 658 HG3 LYS 85 1HG LYS 85 11.686 6.939 -2.443 659 HD2 LYS 85 2HD LYS 85 11.392 4.865 -1.147 660 HD3 LYS 85 1HD LYS 85 12.412 3.999 -2.276 661 HE2 LYS 85 2HE LYS 85 13.670 4.561 -0.276 662 HE3 LYS 85 1HE LYS 85 14.325 5.424 -1.658 663 HZ1 LYS 85 3HZ LYS 85 12.325 6.680 0.214 664 HZ2 LYS 85 1HZ LYS 85 13.287 7.419 -0.969 665 HZ3 LYS 85 2HZ LYS 85 13.983 6.765 0.404 666 H SER 86 H SER 86 9.813 5.968 -0.682 667 HA SER 86 HA SER 86 9.263 8.782 -1.103 668 HB2 SER 86 2HB SER 86 7.442 8.927 0.351 669 HB3 SER 86 1HB SER 86 7.100 7.426 -0.469 670 HG SER 86 HG SER 86 7.194 6.533 1.413 671 H GLU 87 H GLU 87 9.531 9.810 1.191 672 HA GLU 87 HA GLU 87 12.169 9.265 2.060 673 HB2 GLU 87 2HB GLU 87 11.558 10.712 4.042 674 HB3 GLU 87 1HB GLU 87 11.380 11.454 2.447 675 HG2 GLU 87 2HG GLU 87 8.888 10.874 2.540 676 HG3 GLU 87 1HG GLU 87 9.180 10.281 4.165 677 H PHE 88 H PHE 88 9.051 8.104 3.046 678 HA PHE 88 HA PHE 88 9.763 6.896 5.510 679 HB2 PHE 88 2HB PHE 88 7.603 6.204 3.493 680 HB3 PHE 88 1HB PHE 88 7.797 5.363 4.999 681 HD1 PHE 88 1HD PHE 88 7.540 6.592 7.196 682 HD2 PHE 88 2HD PHE 88 6.617 8.431 3.421 683 HE1 PHE 88 1HE PHE 88 6.236 8.343 8.360 684 HE2 PHE 88 2HE PHE 88 5.312 10.181 4.601 685 HZ PHE 88 HZ PHE 88 5.124 10.133 7.069 686 H GLY 89 H GLY 89 9.799 5.763 2.167 687 HA2 GLY 89 2HA GLY 89 11.972 4.204 2.051 688 HA3 GLY 89 1HA GLY 89 10.862 3.149 2.923 689 H TYR 90 H TYR 90 10.503 1.616 1.362 690 HA TYR 90 HA TYR 90 9.370 2.533 -1.190 691 HB2 TYR 90 2HB TYR 90 11.067 0.208 -0.464 692 HB3 TYR 90 1HB TYR 90 9.736 -0.136 -1.549 693 HD1 TYR 90 1HD TYR 90 9.419 1.415 -3.592 694 HD2 TYR 90 2HD TYR 90 13.074 1.187 -1.334 695 HE1 TYR 90 1HE TYR 90 10.660 2.361 -5.510 696 HE2 TYR 90 2HE TYR 90 14.307 2.136 -3.245 697 HH TYR 90 HH TYR 90 13.159 2.175 -6.293 698 H HIS 91 H HIS 91 7.281 2.153 -1.533 699 HA HIS 91 HA HIS 91 5.826 0.480 0.431 700 HB2 HIS 91 2HB HIS 91 4.502 2.432 -1.441 701 HB3 HIS 91 1HB HIS 91 3.892 1.701 0.032 702 HD1 HIS 91 1HD HIS 91 3.677 3.484 1.763 703 HD2 HIS 91 2HD HIS 91 7.126 4.003 -0.539 704 HE1 HIS 91 1HE HIS 91 4.824 5.568 2.621 705 H VAL 92 H VAL 92 4.407 -0.996 -0.320 706 HA VAL 92 HA VAL 92 3.988 -1.237 -3.213 707 HB VAL 92 HB VAL 92 4.166 -3.474 -1.157 708 HG11 VAL 92 1HG1 VAL 92 2.253 -3.936 -2.560 709 HG12 VAL 92 2HG1 VAL 92 3.581 -4.955 -3.113 710 HG13 VAL 92 3HG1 VAL 92 3.154 -3.502 -4.012 711 HG21 VAL 92 3HG2 VAL 92 6.347 -3.017 -1.975 712 HG22 VAL 92 1HG2 VAL 92 5.762 -2.689 -3.603 713 HG23 VAL 92 2HG2 VAL 92 5.794 -4.345 -3.000 714 H ILE 93 H ILE 93 1.861 -0.790 -3.645 715 HA ILE 93 HA ILE 93 0.034 -0.745 -1.325 716 HB ILE 93 HB ILE 93 -0.015 0.969 -3.834 717 HG12 ILE 93 2HG1 ILE 93 0.527 1.763 -0.955 718 HG13 ILE 93 1HG1 ILE 93 1.819 1.459 -2.122 719 HG21 ILE 93 1HG2 ILE 93 -1.708 2.238 -2.371 720 HG22 ILE 93 2HG2 ILE 93 -1.844 0.750 -1.451 721 HG23 ILE 93 3HG2 ILE 93 -2.253 0.771 -3.176 722 HD11 ILE 93 3HD1 ILE 93 0.422 3.163 -3.611 723 HD12 ILE 93 1HD1 ILE 93 1.544 3.748 -2.381 724 HD13 ILE 93 2HD1 ILE 93 -0.185 3.680 -2.049 725 H LYS 94 H LYS 94 -1.735 -1.929 -1.376 726 HA LYS 94 HA LYS 94 -2.765 -2.775 -3.985 727 HB2 LYS 94 2HB LYS 94 -1.712 -4.736 -2.855 728 HB3 LYS 94 1HB LYS 94 -2.826 -4.504 -1.501 729 HG2 LYS 94 2HG LYS 94 -4.761 -4.838 -2.976 730 HG3 LYS 94 1HG LYS 94 -3.697 -4.976 -4.374 731 HD2 LYS 94 2HD LYS 94 -2.639 -6.971 -3.351 732 HD3 LYS 94 1HD LYS 94 -3.769 -6.803 -1.990 733 HE2 LYS 94 2HE LYS 94 -5.661 -7.160 -3.409 734 HE3 LYS 94 1HE LYS 94 -4.674 -7.180 -4.871 735 HZ1 LYS 94 3HZ LYS 94 -5.148 -9.408 -4.231 736 HZ2 LYS 94 1HZ LYS 94 -4.660 -9.158 -2.645 737 HZ3 LYS 94 2HZ LYS 94 -3.526 -9.150 -3.907 738 H ARG 95 H ARG 95 -4.954 -2.702 -4.179 739 HA ARG 95 HA ARG 95 -6.125 -0.817 -2.371 740 HB2 ARG 95 2HB ARG 95 -6.488 -1.214 -5.012 741 HB3 ARG 95 1HB ARG 95 -7.945 -1.991 -4.369 742 HG2 ARG 95 2HG ARG 95 -7.233 0.618 -3.141 743 HG3 ARG 95 1HG ARG 95 -7.796 0.690 -4.812 744 HD2 ARG 95 2HD ARG 95 -9.263 -0.844 -2.662 745 HD3 ARG 95 1HD ARG 95 -9.560 0.858 -2.931 746 HE ARG 95 HE ARG 95 -9.856 -0.286 -5.431 747 HH11 ARG 95 1HH2 ARG 95 -11.201 -0.880 -2.241 748 HH12 ARG 95 2HH2 ARG 95 -12.719 -1.349 -2.891 749 HH21 ARG 95 1HH1 ARG 95 -11.832 -0.881 -6.216 750 HH22 ARG 95 2HH1 ARG 95 -13.101 -1.375 -5.152 751 H LEU 96 H LEU 96 -7.891 -0.946 -1.072 752 HA LEU 96 HA LEU 96 -8.594 -3.659 -0.215 753 HB2 LEU 96 2HB LEU 96 -7.441 -2.371 1.513 754 HB3 LEU 96 1HB LEU 96 -8.559 -1.034 1.282 755 HG LEU 96 HG LEU 96 -10.442 -2.534 1.936 756 HD11 LEU 96 1HD1 LEU 96 -10.003 -4.755 1.835 757 HD12 LEU 96 2HD1 LEU 96 -9.219 -4.551 3.381 758 HD13 LEU 96 3HD1 LEU 96 -8.260 -4.524 1.904 759 HD21 LEU 96 3HD2 LEU 96 -9.295 -1.024 3.560 760 HD22 LEU 96 1HD2 LEU 96 -8.208 -2.344 3.983 761 HD23 LEU 96 2HD2 LEU 96 -9.941 -2.466 4.321 762 H GLY 97 H GLY 97 -10.663 -4.195 -0.087 763 HA2 GLY 97 2HA GLY 97 -12.661 -2.294 -1.171 764 HA3 GLY 97 1HA GLY 97 -12.741 -4.046 -1.336 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -20.115 -4.048 -1.311 2 HA2 GLY 1 2HA GLY 1 -21.112 -1.861 -2.752 3 HA3 GLY 1 1HA GLY 1 -22.489 -2.765 -2.147 4 HA PRO 2 HA PRO 2 -19.902 -1.543 1.818 5 HB2 PRO 2 2HB PRO 2 -18.275 0.635 0.620 6 HB3 PRO 2 1HB PRO 2 -17.826 -0.569 1.851 7 HG2 PRO 2 2HG PRO 2 -16.921 -0.820 -0.596 8 HG3 PRO 2 1HG PRO 2 -17.518 -2.252 0.267 9 HD2 PRO 2 2HD PRO 2 -18.883 -0.640 -1.867 10 HD3 PRO 2 1HD PRO 2 -18.809 -2.406 -1.665 11 H MET 3 H MET 3 -20.838 -0.061 3.208 12 HA MET 3 HA MET 3 -22.214 2.278 2.020 13 HB2 MET 3 2HB MET 3 -22.964 0.620 4.444 14 HB3 MET 3 1HB MET 3 -23.782 2.098 3.951 15 HG2 MET 3 2HG MET 3 -24.297 1.078 1.745 16 HG3 MET 3 1HG MET 3 -23.517 -0.405 2.266 17 HE1 MET 3 3HE MET 3 -26.174 2.027 4.371 18 HE2 MET 3 1HE MET 3 -27.495 1.387 3.380 19 HE3 MET 3 2HE MET 3 -26.102 2.140 2.622 20 H GLY 4 H GLY 4 -22.038 4.228 3.045 21 HA2 GLY 4 2HA GLY 4 -21.115 5.836 4.468 22 HA3 GLY 4 1HA GLY 4 -20.399 4.553 5.437 23 H SER 5 H SER 5 -19.915 3.941 2.224 24 HA SER 5 HA SER 5 -17.098 4.747 2.362 25 HB2 SER 5 2HB SER 5 -18.544 2.819 0.551 26 HB3 SER 5 1HB SER 5 -16.824 3.105 0.550 27 HG SER 5 HG SER 5 -17.857 2.602 3.064 28 H MET 6 H MET 6 -16.228 6.173 0.944 29 HA MET 6 HA MET 6 -17.829 7.042 -1.368 30 HB2 MET 6 2HB MET 6 -16.099 8.779 0.407 31 HB3 MET 6 1HB MET 6 -16.800 9.307 -1.123 32 HG2 MET 6 2HG MET 6 -19.082 8.784 -0.207 33 HG3 MET 6 1HG MET 6 -18.344 8.425 1.346 34 HE1 MET 6 3HE MET 6 -17.195 9.926 2.829 35 HE2 MET 6 1HE MET 6 -16.951 11.670 2.647 36 HE3 MET 6 2HE MET 6 -16.000 10.551 1.697 37 H ALA 7 H ALA 7 -16.619 7.473 -3.242 38 HA ALA 7 HA ALA 7 -14.194 5.940 -3.465 39 HB1 ALA 7 1HB ALA 7 -16.070 7.215 -5.328 40 HB2 ALA 7 2HB ALA 7 -15.081 5.763 -5.512 41 HB3 ALA 7 3HB ALA 7 -14.381 7.338 -5.823 42 H ASP 8 H ASP 8 -14.865 9.131 -2.590 43 HA ASP 8 HA ASP 8 -12.582 10.448 -3.649 44 HB2 ASP 8 2HB ASP 8 -14.686 11.501 -2.465 45 HB3 ASP 8 1HB ASP 8 -13.786 11.176 -0.999 46 H LYS 9 H LYS 9 -13.194 8.547 -0.813 47 HA LYS 9 HA LYS 9 -10.482 8.831 0.245 48 HB2 LYS 9 2HB LYS 9 -12.748 6.980 1.045 49 HB3 LYS 9 1HB LYS 9 -11.213 7.156 1.897 50 HG2 LYS 9 2HG LYS 9 -13.185 9.434 1.480 51 HG3 LYS 9 1HG LYS 9 -13.078 8.470 2.963 52 HD2 LYS 9 2HD LYS 9 -10.687 9.227 3.181 53 HD3 LYS 9 1HD LYS 9 -10.924 10.193 1.724 54 HE2 LYS 9 2HE LYS 9 -11.239 11.659 3.616 55 HE3 LYS 9 1HE LYS 9 -12.800 11.393 2.862 56 HZ1 LYS 9 3HZ LYS 9 -12.184 9.432 4.907 57 HZ2 LYS 9 1HZ LYS 9 -13.575 10.349 4.702 58 HZ3 LYS 9 2HZ LYS 9 -12.285 11.018 5.486 59 H ILE 10 H ILE 10 -9.083 7.006 0.392 60 HA ILE 10 HA ILE 10 -9.478 5.147 -1.877 61 HB ILE 10 HB ILE 10 -6.843 5.755 -0.520 62 HG12 ILE 10 2HG1 ILE 10 -7.676 7.783 -1.639 63 HG13 ILE 10 1HG1 ILE 10 -6.318 7.110 -2.508 64 HG21 ILE 10 1HG2 ILE 10 -7.751 3.867 -2.555 65 HG22 ILE 10 2HG2 ILE 10 -6.249 3.903 -1.641 66 HG23 ILE 10 3HG2 ILE 10 -6.410 4.861 -3.105 67 HD11 ILE 10 3HD1 ILE 10 -7.578 7.039 -4.363 68 HD12 ILE 10 1HD1 ILE 10 -9.038 7.459 -3.470 69 HD13 ILE 10 2HD1 ILE 10 -8.538 5.775 -3.594 70 H LYS 11 H LYS 11 -9.777 3.124 -1.413 71 HA LYS 11 HA LYS 11 -9.507 2.216 1.363 72 HB2 LYS 11 2HB LYS 11 -10.668 0.919 -1.086 73 HB3 LYS 11 1HB LYS 11 -10.716 0.278 0.560 74 HG2 LYS 11 2HG LYS 11 -12.076 2.101 1.296 75 HG3 LYS 11 1HG LYS 11 -11.935 2.948 -0.249 76 HD2 LYS 11 2HD LYS 11 -14.054 1.826 -0.291 77 HD3 LYS 11 1HD LYS 11 -12.978 0.925 -1.345 78 HE2 LYS 11 2HE LYS 11 -12.728 -0.851 0.172 79 HE3 LYS 11 1HE LYS 11 -13.183 0.136 1.547 80 HZ1 LYS 11 3HZ LYS 11 -14.816 -1.555 0.425 81 HZ2 LYS 11 1HZ LYS 11 -15.205 -0.186 -0.532 82 HZ3 LYS 11 2HZ LYS 11 -15.309 -0.086 1.168 83 H CYS 12 H CYS 12 -7.364 1.627 1.639 84 HA CYS 12 HA CYS 12 -6.345 -0.356 -0.257 85 HB2 CYS 12 2HB CYS 12 -4.907 0.955 -1.312 86 HB3 CYS 12 1HB CYS 12 -5.598 2.339 -0.475 87 HG CYS 12 HG CYS 12 -3.768 1.732 1.490 88 H SER 13 H SER 13 -4.223 -1.166 0.260 89 HA SER 13 HA SER 13 -3.537 -1.165 3.086 90 HB2 SER 13 2HB SER 13 -3.725 -3.655 1.364 91 HB3 SER 13 1HB SER 13 -3.231 -3.599 3.040 92 HG SER 13 HG SER 13 -5.552 -4.128 2.521 93 H HIS 14 H HIS 14 -1.256 -1.307 3.346 94 HA HIS 14 HA HIS 14 0.279 -1.580 0.887 95 HB2 HIS 14 2HB HIS 14 1.214 0.452 0.864 96 HB3 HIS 14 1HB HIS 14 -0.319 0.917 1.595 97 HD2 HIS 14 2HD HIS 14 0.420 0.097 4.748 98 HE1 HIS 14 1HE HIS 14 3.748 2.641 4.205 99 HE2 HIS 14 2HE HIS 14 2.319 1.504 5.933 100 H ILE 15 H ILE 15 2.419 -1.998 1.078 101 HA ILE 15 HA ILE 15 3.306 -3.053 3.689 102 HB ILE 15 HB ILE 15 3.818 -4.134 0.895 103 HG12 ILE 15 2HG1 ILE 15 2.318 -5.415 3.206 104 HG13 ILE 15 1HG1 ILE 15 1.531 -4.521 1.916 105 HG21 ILE 15 1HG2 ILE 15 5.445 -5.432 1.718 106 HG22 ILE 15 2HG2 ILE 15 4.510 -5.875 3.128 107 HG23 ILE 15 3HG2 ILE 15 5.478 -4.390 3.139 108 HD11 ILE 15 3HD1 ILE 15 1.787 -6.187 0.428 109 HD12 ILE 15 1HD1 ILE 15 2.035 -7.191 1.845 110 HD13 ILE 15 2HD1 ILE 15 3.426 -6.571 0.948 111 H LEU 16 H LEU 16 5.137 -2.081 4.386 112 HA LEU 16 HA LEU 16 6.526 -0.280 2.513 113 HB2 LEU 16 2HB LEU 16 5.622 0.409 4.845 114 HB3 LEU 16 1HB LEU 16 7.009 -0.444 5.499 115 HG LEU 16 HG LEU 16 7.695 1.851 5.304 116 HD11 LEU 16 1HD1 LEU 16 9.283 0.074 4.258 117 HD12 LEU 16 2HD1 LEU 16 9.554 1.774 3.921 118 HD13 LEU 16 3HD1 LEU 16 8.768 0.768 2.713 119 HD21 LEU 16 3HD2 LEU 16 7.459 2.629 2.637 120 HD22 LEU 16 1HD2 LEU 16 6.431 3.134 3.961 121 HD23 LEU 16 2HD2 LEU 16 5.946 1.797 2.934 122 H VAL 17 H VAL 17 8.346 -0.991 1.595 123 HA VAL 17 HA VAL 17 10.010 -2.941 3.064 124 HB VAL 17 HB VAL 17 10.458 -4.091 1.011 125 HG11 VAL 17 1HG1 VAL 17 8.183 -5.041 0.592 126 HG12 VAL 17 2HG1 VAL 17 7.468 -3.695 1.463 127 HG13 VAL 17 3HG1 VAL 17 8.489 -4.851 2.317 128 HG21 VAL 17 3HG2 VAL 17 8.976 -3.534 -0.987 129 HG22 VAL 17 1HG2 VAL 17 10.294 -2.411 -0.669 130 HG23 VAL 17 2HG2 VAL 17 8.634 -1.990 -0.202 131 H LYS 18 H LYS 18 12.173 -2.858 2.817 132 HA LYS 18 HA LYS 18 13.236 -0.272 2.426 133 HB2 LYS 18 2HB LYS 18 14.579 -2.956 2.773 134 HB3 LYS 18 1HB LYS 18 15.449 -1.422 2.707 135 HG2 LYS 18 2HG LYS 18 14.099 -0.591 4.635 136 HG3 LYS 18 1HG LYS 18 13.304 -2.160 4.728 137 HD2 LYS 18 2HD LYS 18 15.468 -3.263 5.131 138 HD3 LYS 18 1HD LYS 18 16.280 -1.701 5.031 139 HE2 LYS 18 2HE LYS 18 14.960 -0.884 6.980 140 HE3 LYS 18 1HE LYS 18 14.171 -2.454 7.092 141 HZ1 LYS 18 3HZ LYS 18 16.149 -3.480 7.758 142 HZ2 LYS 18 1HZ LYS 18 16.215 -1.997 8.562 143 HZ3 LYS 18 2HZ LYS 18 17.110 -2.229 7.155 144 H LYS 19 H LYS 19 13.229 -3.192 0.441 145 HA LYS 19 HA LYS 19 14.777 -1.732 -1.619 146 HB2 LYS 19 2HB LYS 19 14.282 -4.688 -1.413 147 HB3 LYS 19 1HB LYS 19 15.462 -3.871 -2.426 148 HG2 LYS 19 2HG LYS 19 15.476 -3.808 0.616 149 HG3 LYS 19 1HG LYS 19 16.486 -4.844 -0.376 150 HD2 LYS 19 2HD LYS 19 17.572 -2.885 -1.419 151 HD3 LYS 19 1HD LYS 19 16.497 -1.813 -0.545 152 HE2 LYS 19 2HE LYS 19 18.885 -2.247 0.436 153 HE3 LYS 19 1HE LYS 19 17.495 -2.191 1.505 154 HZ1 LYS 19 3HZ LYS 19 18.416 -4.764 0.335 155 HZ2 LYS 19 1HZ LYS 19 17.500 -4.510 1.739 156 HZ3 LYS 19 2HZ LYS 19 19.121 -4.112 1.724 157 H GLN 20 H GLN 20 14.197 -1.722 -3.739 158 HA GLN 20 HA GLN 20 11.412 -1.791 -4.363 159 HB2 GLN 20 2HB GLN 20 12.265 -1.738 -6.789 160 HB3 GLN 20 1HB GLN 20 12.638 -0.351 -5.774 161 HG2 GLN 20 2HG GLN 20 14.805 -2.161 -5.389 162 HG3 GLN 20 1HG GLN 20 14.447 -2.192 -7.101 163 HE21 GLN 20 1HE2 GLN 20 14.841 -0.305 -8.361 164 HE22 GLN 20 2HE2 GLN 20 15.595 1.066 -7.725 165 H GLY 21 H GLY 21 14.089 -4.036 -4.715 166 HA2 GLY 21 2HA GLY 21 12.754 -6.029 -6.227 167 HA3 GLY 21 1HA GLY 21 14.154 -6.292 -5.160 168 H GLU 22 H GLU 22 12.883 -5.327 -2.786 169 HA GLU 22 HA GLU 22 11.511 -7.655 -1.896 170 HB2 GLU 22 2HB GLU 22 11.751 -4.859 -0.737 171 HB3 GLU 22 1HB GLU 22 10.957 -6.192 0.061 172 HG2 GLU 22 2HG GLU 22 12.924 -7.480 0.175 173 HG3 GLU 22 1HG GLU 22 13.842 -6.426 -0.871 174 H ALA 23 H ALA 23 10.524 -4.405 -2.840 175 HA ALA 23 HA ALA 23 7.767 -4.694 -2.358 176 HB1 ALA 23 1HB ALA 23 9.427 -2.829 -3.998 177 HB2 ALA 23 2HB ALA 23 8.245 -2.476 -2.740 178 HB3 ALA 23 3HB ALA 23 7.703 -2.913 -4.351 179 H LEU 24 H LEU 24 9.618 -5.156 -5.342 180 HA LEU 24 HA LEU 24 7.419 -6.023 -6.926 181 HB2 LEU 24 2HB LEU 24 10.376 -6.570 -7.202 182 HB3 LEU 24 1HB LEU 24 9.163 -7.001 -8.394 183 HG LEU 24 HG LEU 24 9.507 -4.160 -7.394 184 HD11 LEU 24 1HD1 LEU 24 10.508 -3.908 -9.786 185 HD12 LEU 24 2HD1 LEU 24 10.788 -5.642 -9.649 186 HD13 LEU 24 3HD1 LEU 24 11.527 -4.540 -8.488 187 HD21 LEU 24 3HD2 LEU 24 7.295 -4.622 -8.393 188 HD22 LEU 24 1HD2 LEU 24 8.071 -5.398 -9.771 189 HD23 LEU 24 2HD2 LEU 24 8.259 -3.675 -9.523 190 H ALA 25 H ALA 25 9.792 -7.720 -4.967 191 HA ALA 25 HA ALA 25 9.153 -10.331 -5.685 192 HB1 ALA 25 1HB ALA 25 11.112 -9.872 -4.348 193 HB2 ALA 25 2HB ALA 25 10.048 -10.949 -3.436 194 HB3 ALA 25 3HB ALA 25 10.121 -9.242 -3.032 195 H VAL 26 H VAL 26 7.760 -8.301 -3.121 196 HA VAL 26 HA VAL 26 5.914 -10.348 -2.384 197 HB VAL 26 HB VAL 26 4.838 -8.665 -0.976 198 HG11 VAL 26 1HG1 VAL 26 6.562 -8.548 0.585 199 HG12 VAL 26 2HG1 VAL 26 7.778 -8.197 -0.644 200 HG13 VAL 26 3HG1 VAL 26 7.154 -9.830 -0.474 201 HG21 VAL 26 3HG2 VAL 26 5.651 -6.376 -0.890 202 HG22 VAL 26 1HG2 VAL 26 5.174 -6.716 -2.555 203 HG23 VAL 26 2HG2 VAL 26 6.883 -6.726 -2.100 204 H GLN 27 H GLN 27 6.008 -7.699 -4.615 205 HA GLN 27 HA GLN 27 3.265 -7.505 -5.171 206 HB2 GLN 27 2HB GLN 27 5.067 -5.924 -6.003 207 HB3 GLN 27 1HB GLN 27 5.517 -7.143 -7.189 208 HG2 GLN 27 2HG GLN 27 3.155 -7.153 -8.004 209 HG3 GLN 27 1HG GLN 27 2.878 -5.881 -6.788 210 HE21 GLN 27 1HE2 GLN 27 2.952 -3.791 -7.702 211 HE22 GLN 27 2HE2 GLN 27 3.909 -3.389 -9.039 212 H GLU 28 H GLU 28 5.839 -9.452 -6.608 213 HA GLU 28 HA GLU 28 4.191 -10.931 -8.423 214 HB2 GLU 28 2HB GLU 28 6.882 -11.513 -7.202 215 HB3 GLU 28 1HB GLU 28 6.142 -12.545 -8.412 216 HG2 GLU 28 2HG GLU 28 6.081 -10.626 -9.990 217 HG3 GLU 28 1HG GLU 28 6.807 -9.602 -8.757 218 H ARG 29 H ARG 29 5.481 -11.503 -5.209 219 HA ARG 29 HA ARG 29 4.617 -14.119 -4.857 220 HB2 ARG 29 2HB ARG 29 6.268 -12.962 -3.411 221 HB3 ARG 29 1HB ARG 29 4.936 -12.001 -2.753 222 HG2 ARG 29 2HG ARG 29 3.828 -14.033 -1.946 223 HG3 ARG 29 1HG ARG 29 5.138 -15.006 -2.618 224 HD2 ARG 29 2HD ARG 29 6.769 -13.943 -1.161 225 HD3 ARG 29 1HD ARG 29 5.534 -12.860 -0.536 226 HE ARG 29 HE ARG 29 4.808 -15.615 -0.219 227 HH11 ARG 29 1HH2 ARG 29 6.854 -13.055 1.110 228 HH12 ARG 29 2HH2 ARG 29 6.664 -13.692 2.715 229 HH21 ARG 29 1HH1 ARG 29 4.665 -16.326 1.920 230 HH22 ARG 29 2HH1 ARG 29 5.513 -15.451 3.169 231 H LEU 30 H LEU 30 3.012 -11.074 -4.223 232 HA LEU 30 HA LEU 30 0.756 -11.969 -2.825 233 HB2 LEU 30 2HB LEU 30 1.562 -9.545 -3.476 234 HB3 LEU 30 1HB LEU 30 0.587 -9.787 -4.914 235 HG LEU 30 HG LEU 30 -0.809 -8.674 -3.320 236 HD11 LEU 30 1HD1 LEU 30 -2.608 -10.192 -3.012 237 HD12 LEU 30 2HD1 LEU 30 -1.537 -11.571 -3.021 238 HD13 LEU 30 3HD1 LEU 30 -1.819 -10.656 -4.523 239 HD21 LEU 30 3HD2 LEU 30 -1.200 -9.908 -1.054 240 HD22 LEU 30 1HD2 LEU 30 0.220 -8.894 -1.236 241 HD23 LEU 30 2HD2 LEU 30 0.368 -10.654 -1.347 242 H LYS 31 H LYS 31 1.444 -11.795 -6.262 243 HA LYS 31 HA LYS 31 -1.063 -12.772 -7.177 244 HB2 LYS 31 2HB LYS 31 1.663 -12.507 -8.427 245 HB3 LYS 31 1HB LYS 31 0.458 -13.511 -9.208 246 HG2 LYS 31 2HG LYS 31 -0.016 -11.484 -10.179 247 HG3 LYS 31 1HG LYS 31 -1.150 -11.425 -8.835 248 HD2 LYS 31 2HD LYS 31 0.630 -10.191 -7.504 249 HD3 LYS 31 1HD LYS 31 1.582 -10.069 -8.978 250 HE2 LYS 31 2HE LYS 31 -1.230 -8.959 -8.580 251 HE3 LYS 31 1HE LYS 31 0.262 -8.031 -8.622 252 HZ1 LYS 31 3HZ LYS 31 0.552 -8.424 -10.868 253 HZ2 LYS 31 1HZ LYS 31 -1.092 -8.207 -10.776 254 HZ3 LYS 31 2HZ LYS 31 -0.458 -9.754 -10.945 255 H ALA 32 H ALA 32 1.710 -14.342 -5.741 256 HA ALA 32 HA ALA 32 1.149 -16.982 -6.656 257 HB1 ALA 32 1HB ALA 32 2.443 -16.516 -4.005 258 HB2 ALA 32 2HB ALA 32 3.299 -15.977 -5.448 259 HB3 ALA 32 3HB ALA 32 2.846 -17.669 -5.272 260 H GLY 33 H GLY 33 -0.710 -14.970 -4.884 261 HA2 GLY 33 2HA GLY 33 -2.772 -15.445 -3.954 262 HA3 GLY 33 1HA GLY 33 -2.391 -17.155 -3.986 263 H GLU 34 H GLU 34 -0.047 -15.050 -2.539 264 HA GLU 34 HA GLU 34 -0.763 -16.130 0.068 265 HB2 GLU 34 2HB GLU 34 1.639 -14.482 -0.785 266 HB3 GLU 34 1HB GLU 34 1.324 -15.005 0.865 267 HG2 GLU 34 2HG GLU 34 1.104 -17.397 -0.179 268 HG3 GLU 34 1HG GLU 34 1.931 -16.682 -1.542 269 H LYS 35 H LYS 35 -1.387 -14.876 1.781 270 HA LYS 35 HA LYS 35 -3.051 -12.742 1.092 271 HB2 LYS 35 2HB LYS 35 -2.123 -13.779 3.745 272 HB3 LYS 35 1HB LYS 35 -3.161 -12.364 3.642 273 HG2 LYS 35 2HG LYS 35 -4.793 -13.574 2.386 274 HG3 LYS 35 1HG LYS 35 -3.805 -15.042 2.354 275 HD2 LYS 35 2HD LYS 35 -3.938 -15.180 4.841 276 HD3 LYS 35 1HD LYS 35 -4.842 -13.675 4.860 277 HE2 LYS 35 2HE LYS 35 -6.344 -15.622 5.074 278 HE3 LYS 35 1HE LYS 35 -6.694 -14.679 3.640 279 HZ1 LYS 35 3HZ LYS 35 -4.994 -17.150 3.626 280 HZ2 LYS 35 1HZ LYS 35 -5.501 -16.269 2.287 281 HZ3 LYS 35 2HZ LYS 35 -6.614 -17.112 3.185 282 H PHE 36 H PHE 36 -2.964 -10.639 1.259 283 HA PHE 36 HA PHE 36 -0.560 -9.222 0.936 284 HB2 PHE 36 2HB PHE 36 -2.948 -8.562 0.337 285 HB3 PHE 36 1HB PHE 36 -3.170 -8.175 2.023 286 HD1 PHE 36 1HD PHE 36 -1.357 -7.219 -1.047 287 HD2 PHE 36 2HD PHE 36 -2.042 -6.272 3.095 288 HE1 PHE 36 1HE PHE 36 -0.264 -5.029 -1.367 289 HE2 PHE 36 2HE PHE 36 -0.947 -4.071 2.758 290 HZ PHE 36 HZ PHE 36 -0.062 -3.461 0.513 291 H GLY 37 H GLY 37 -2.713 -9.734 3.662 292 HA2 GLY 37 2HA GLY 37 -1.240 -8.274 5.565 293 HA3 GLY 37 1HA GLY 37 -2.422 -9.554 5.914 294 H LYS 38 H LYS 38 -1.061 -11.588 4.443 295 HA LYS 38 HA LYS 38 0.707 -12.537 6.420 296 HB2 LYS 38 2HB LYS 38 -0.532 -14.028 4.878 297 HB3 LYS 38 1HB LYS 38 0.451 -13.461 3.524 298 HG2 LYS 38 2HG LYS 38 2.457 -14.398 4.588 299 HG3 LYS 38 1HG LYS 38 1.517 -14.878 6.001 300 HD2 LYS 38 2HD LYS 38 0.118 -16.344 4.608 301 HD3 LYS 38 1HD LYS 38 1.054 -15.924 3.175 302 HE2 LYS 38 2HE LYS 38 2.295 -17.150 5.664 303 HE3 LYS 38 1HE LYS 38 1.699 -18.103 4.305 304 HZ1 LYS 38 3HZ LYS 38 3.940 -17.768 3.935 305 HZ2 LYS 38 1HZ LYS 38 3.893 -16.132 4.355 306 HZ3 LYS 38 2HZ LYS 38 3.182 -16.722 2.857 307 H LEU 39 H LEU 39 1.189 -11.031 3.280 308 HA LEU 39 HA LEU 39 4.020 -10.884 3.361 309 HB2 LEU 39 2HB LEU 39 1.896 -9.409 1.817 310 HB3 LEU 39 1HB LEU 39 3.540 -8.822 1.815 311 HG LEU 39 HG LEU 39 3.148 -10.314 -0.096 312 HD11 LEU 39 1HD1 LEU 39 4.935 -12.080 1.365 313 HD12 LEU 39 2HD1 LEU 39 5.303 -10.376 1.661 314 HD13 LEU 39 3HD1 LEU 39 5.248 -10.996 0.010 315 HD21 LEU 39 3HD2 LEU 39 1.473 -11.843 0.752 316 HD22 LEU 39 1HD2 LEU 39 2.530 -12.402 2.050 317 HD23 LEU 39 2HD2 LEU 39 2.900 -12.791 0.383 318 H ALA 40 H ALA 40 1.431 -8.762 4.539 319 HA ALA 40 HA ALA 40 3.105 -6.584 5.199 320 HB1 ALA 40 1HB ALA 40 0.491 -7.412 6.474 321 HB2 ALA 40 2HB ALA 40 0.653 -6.369 5.064 322 HB3 ALA 40 3HB ALA 40 1.256 -5.833 6.630 323 H LYS 41 H LYS 41 1.999 -9.373 7.036 324 HA LYS 41 HA LYS 41 3.324 -8.724 9.479 325 HB2 LYS 41 2HB LYS 41 2.430 -11.337 8.292 326 HB3 LYS 41 1HB LYS 41 3.090 -11.205 9.917 327 HG2 LYS 41 2HG LYS 41 0.578 -9.801 8.900 328 HG3 LYS 41 1HG LYS 41 0.651 -11.252 9.920 329 HD2 LYS 41 2HD LYS 41 2.126 -9.748 11.497 330 HD3 LYS 41 1HD LYS 41 1.365 -8.411 10.650 331 HE2 LYS 41 2HE LYS 41 0.229 -10.283 12.627 332 HE3 LYS 41 1HE LYS 41 -0.221 -8.629 12.255 333 HZ1 LYS 41 3HZ LYS 41 -1.869 -10.468 11.726 334 HZ2 LYS 41 1HZ LYS 41 -0.945 -10.869 10.395 335 HZ3 LYS 41 2HZ LYS 41 -1.651 -9.335 10.527 336 H GLU 42 H GLU 42 4.164 -10.697 6.652 337 HA GLU 42 HA GLU 42 6.645 -11.594 7.682 338 HB2 GLU 42 2HB GLU 42 5.418 -11.603 4.978 339 HB3 GLU 42 1HB GLU 42 7.018 -12.235 5.179 340 HG2 GLU 42 2HG GLU 42 6.072 -13.760 6.998 341 HG3 GLU 42 1HG GLU 42 4.473 -13.186 6.555 342 H LEU 43 H LEU 43 5.894 -8.961 5.440 343 HA LEU 43 HA LEU 43 8.763 -8.356 5.307 344 HB2 LEU 43 2HB LEU 43 6.637 -8.476 3.399 345 HB3 LEU 43 1HB LEU 43 7.327 -6.868 3.390 346 HG LEU 43 HG LEU 43 9.614 -8.374 3.506 347 HD11 LEU 43 1HD1 LEU 43 7.563 -9.964 1.956 348 HD12 LEU 43 2HD1 LEU 43 8.417 -10.463 3.409 349 HD13 LEU 43 3HD1 LEU 43 9.312 -10.207 1.905 350 HD21 LEU 43 3HD2 LEU 43 9.318 -8.164 0.850 351 HD22 LEU 43 1HD2 LEU 43 9.592 -6.769 1.901 352 HD23 LEU 43 2HD2 LEU 43 7.956 -7.144 1.375 353 H SER 44 H SER 44 5.870 -6.437 4.891 354 HA SER 44 HA SER 44 6.753 -4.035 4.926 355 HB2 SER 44 2HB SER 44 4.307 -4.780 5.081 356 HB3 SER 44 1HB SER 44 4.496 -4.536 6.801 357 HG SER 44 HG SER 44 4.085 -2.499 6.321 358 H ILE 45 H ILE 45 7.934 -2.642 6.070 359 HA ILE 45 HA ILE 45 8.690 -3.321 8.816 360 HB ILE 45 HB ILE 45 10.413 -1.595 8.556 361 HG12 ILE 45 2HG1 ILE 45 9.320 -1.267 5.738 362 HG13 ILE 45 1HG1 ILE 45 9.107 -0.076 7.021 363 HG21 ILE 45 1HG2 ILE 45 11.739 -3.114 7.545 364 HG22 ILE 45 2HG2 ILE 45 10.911 -2.920 6.008 365 HG23 ILE 45 3HG2 ILE 45 10.295 -4.059 7.198 366 HD11 ILE 45 3HD1 ILE 45 11.820 -0.462 7.098 367 HD12 ILE 45 1HD1 ILE 45 11.027 0.812 6.166 368 HD13 ILE 45 2HD1 ILE 45 11.476 -0.705 5.393 369 H ASP 46 H ASP 46 6.316 -1.676 7.335 370 HA ASP 46 HA ASP 46 6.062 0.577 9.174 371 HB2 ASP 46 2HB ASP 46 5.116 0.744 6.887 372 HB3 ASP 46 1HB ASP 46 4.074 -0.637 7.233 373 H GLY 47 H GLY 47 6.037 -0.359 11.203 374 HA2 GLY 47 2HA GLY 47 4.729 -2.705 11.886 375 HA3 GLY 47 1HA GLY 47 5.150 -1.438 13.029 376 H GLY 48 H GLY 48 3.657 0.660 12.263 377 HA2 GLY 48 2HA GLY 48 1.183 0.318 13.393 378 HA3 GLY 48 1HA GLY 48 1.526 1.561 12.191 379 H SER 49 H SER 49 1.917 0.273 9.908 380 HA SER 49 HA SER 49 -0.696 -0.709 9.279 381 HB2 SER 49 2HB SER 49 1.741 -0.593 7.505 382 HB3 SER 49 1HB SER 49 0.089 -0.886 6.992 383 HG SER 49 HG SER 49 1.366 1.444 7.671 384 H ALA 50 H ALA 50 2.376 -2.261 9.984 385 HA ALA 50 HA ALA 50 1.711 -4.802 8.894 386 HB1 ALA 50 1HB ALA 50 3.475 -4.244 11.292 387 HB2 ALA 50 2HB ALA 50 4.035 -4.148 9.611 388 HB3 ALA 50 3HB ALA 50 3.468 -5.681 10.278 389 H LYS 51 H LYS 51 1.139 -3.217 11.915 390 HA LYS 51 HA LYS 51 -0.092 -5.386 13.276 391 HB2 LYS 51 2HB LYS 51 -0.073 -2.401 13.628 392 HB3 LYS 51 1HB LYS 51 -1.269 -3.347 14.500 393 HG2 LYS 51 2HG LYS 51 0.586 -3.281 15.987 394 HG3 LYS 51 1HG LYS 51 0.662 -4.865 15.240 395 HD2 LYS 51 2HD LYS 51 2.294 -3.959 13.563 396 HD3 LYS 51 1HD LYS 51 2.317 -2.433 14.469 397 HE2 LYS 51 2HE LYS 51 3.036 -5.153 15.610 398 HE3 LYS 51 1HE LYS 51 4.195 -3.969 15.017 399 HZ1 LYS 51 3HZ LYS 51 2.242 -3.097 17.072 400 HZ2 LYS 51 1HZ LYS 51 3.792 -2.551 16.756 401 HZ3 LYS 51 2HZ LYS 51 3.543 -4.006 17.541 402 H ARG 52 H ARG 52 -1.080 -3.265 10.790 403 HA ARG 52 HA ARG 52 -3.906 -4.100 10.976 404 HB2 ARG 52 2HB ARG 52 -2.568 -2.047 9.183 405 HB3 ARG 52 1HB ARG 52 -4.266 -2.470 9.200 406 HG2 ARG 52 2HG ARG 52 -4.455 -1.746 11.564 407 HG3 ARG 52 1HG ARG 52 -2.756 -1.274 11.547 408 HD2 ARG 52 2HD ARG 52 -4.846 -0.179 9.648 409 HD3 ARG 52 1HD ARG 52 -4.346 0.653 11.086 410 HE ARG 52 HE ARG 52 -2.824 0.245 8.638 411 HH11 ARG 52 1HH2 ARG 52 -2.930 1.405 11.939 412 HH12 ARG 52 2HH2 ARG 52 -1.510 2.335 11.863 413 HH21 ARG 52 1HH1 ARG 52 -0.742 1.513 8.515 414 HH22 ARG 52 2HH1 ARG 52 -0.291 2.392 9.884 415 H ASP 53 H ASP 53 -1.210 -5.459 9.854 416 HA ASP 53 HA ASP 53 -0.644 -6.894 8.189 417 HB2 ASP 53 2HB ASP 53 -3.626 -7.004 7.928 418 HB3 ASP 53 1HB ASP 53 -2.657 -7.839 6.798 419 H GLY 54 H GLY 54 -0.684 -4.104 7.822 420 HA2 GLY 54 2HA GLY 54 -0.025 -2.721 6.086 421 HA3 GLY 54 1HA GLY 54 -0.424 -3.988 4.946 422 H SER 55 H SER 55 -3.133 -3.948 6.708 423 HA SER 55 HA SER 55 -4.620 -2.632 4.711 424 HB2 SER 55 2HB SER 55 -5.620 -3.153 7.497 425 HB3 SER 55 1HB SER 55 -6.510 -3.170 5.982 426 HG SER 55 HG SER 55 -4.804 -5.008 7.155 427 H LEU 56 H LEU 56 -5.121 -0.560 4.432 428 HA LEU 56 HA LEU 56 -4.626 1.308 6.676 429 HB2 LEU 56 2HB LEU 56 -4.711 1.878 3.706 430 HB3 LEU 56 1HB LEU 56 -4.396 3.042 4.979 431 HG LEU 56 HG LEU 56 -2.685 0.572 4.497 432 HD11 LEU 56 1HD1 LEU 56 -2.054 1.761 2.720 433 HD12 LEU 56 2HD1 LEU 56 -1.058 2.603 3.900 434 HD13 LEU 56 3HD1 LEU 56 -2.583 3.311 3.365 435 HD21 LEU 56 3HD2 LEU 56 -1.141 2.264 5.918 436 HD22 LEU 56 1HD2 LEU 56 -2.205 1.089 6.686 437 HD23 LEU 56 2HD2 LEU 56 -2.714 2.775 6.531 438 H GLY 57 H GLY 57 -6.916 0.142 4.339 439 HA2 GLY 57 2HA GLY 57 -9.257 0.247 4.457 440 HA3 GLY 57 1HA GLY 57 -9.084 1.323 5.850 441 H TYR 58 H TYR 58 -10.537 2.865 5.059 442 HA TYR 58 HA TYR 58 -10.128 4.165 2.488 443 HB2 TYR 58 2HB TYR 58 -11.846 5.056 4.813 444 HB3 TYR 58 1HB TYR 58 -11.853 5.702 3.240 445 HD1 TYR 58 2HD TYR 58 -12.413 2.382 4.937 446 HD2 TYR 58 1HD TYR 58 -13.295 4.913 1.564 447 HE1 TYR 58 2HE TYR 58 -14.087 0.762 4.151 448 HE2 TYR 58 1HE TYR 58 -14.955 3.305 0.796 449 HH TYR 58 HH TYR 58 -16.454 1.417 2.104 450 H PHE 59 H PHE 59 -8.870 5.988 2.233 451 HA PHE 59 HA PHE 59 -8.559 7.798 4.481 452 HB2 PHE 59 2HB PHE 59 -6.130 8.060 4.158 453 HB3 PHE 59 1HB PHE 59 -6.527 6.449 4.714 454 HD1 PHE 59 1HD PHE 59 -5.408 8.472 1.826 455 HD2 PHE 59 2HD PHE 59 -6.326 4.509 3.233 456 HE1 PHE 59 1HE PHE 59 -4.309 7.508 -0.163 457 HE2 PHE 59 2HE PHE 59 -5.230 3.542 1.260 458 HZ PHE 59 HZ PHE 59 -4.215 5.039 -0.466 459 H GLY 60 H GLY 60 -8.317 9.925 3.863 460 HA2 GLY 60 2HA GLY 60 -9.004 10.411 1.082 461 HA3 GLY 60 1HA GLY 60 -9.117 11.563 2.410 462 H ARG 61 H ARG 61 -8.174 12.662 0.366 463 HA ARG 61 HA ARG 61 -5.421 12.369 -0.233 464 HB2 ARG 61 2HB ARG 61 -7.438 14.564 -0.672 465 HB3 ARG 61 1HB ARG 61 -5.799 14.583 -1.313 466 HG2 ARG 61 2HG ARG 61 -6.160 12.689 -2.682 467 HG3 ARG 61 1HG ARG 61 -7.620 12.220 -1.818 468 HD2 ARG 61 2HD ARG 61 -7.400 14.845 -3.269 469 HD3 ARG 61 1HD ARG 61 -7.940 13.387 -4.097 470 HE ARG 61 HE ARG 61 -9.517 13.437 -1.880 471 HH11 ARG 61 1HH2 ARG 61 -8.727 15.854 -4.282 472 HH12 ARG 61 2HH2 ARG 61 -10.269 16.604 -4.208 473 HH21 ARG 61 1HH1 ARG 61 -11.588 14.418 -1.825 474 HH22 ARG 61 2HH1 ARG 61 -11.914 15.782 -2.797 475 H GLY 62 H GLY 62 -3.726 13.355 0.678 476 HA2 GLY 62 2HA GLY 62 -2.717 15.189 1.765 477 HA3 GLY 62 1HA GLY 62 -4.159 15.430 2.736 478 H LYS 63 H LYS 63 -4.361 12.419 2.883 479 HA LYS 63 HA LYS 63 -3.124 12.105 5.428 480 HB2 LYS 63 2HB LYS 63 -4.445 10.094 3.605 481 HB3 LYS 63 1HB LYS 63 -3.886 9.726 5.226 482 HG2 LYS 63 2HG LYS 63 -5.920 11.897 4.579 483 HG3 LYS 63 1HG LYS 63 -6.325 10.288 5.169 484 HD2 LYS 63 2HD LYS 63 -5.029 10.660 7.214 485 HD3 LYS 63 1HD LYS 63 -4.575 12.277 6.691 486 HE2 LYS 63 2HE LYS 63 -6.951 12.910 6.635 487 HE3 LYS 63 1HE LYS 63 -7.408 11.311 7.194 488 HZ1 LYS 63 3HZ LYS 63 -6.785 11.770 9.268 489 HZ2 LYS 63 1HZ LYS 63 -6.846 13.388 8.842 490 HZ3 LYS 63 2HZ LYS 63 -5.369 12.545 8.828 491 H MET 64 H MET 64 -2.270 10.935 2.216 492 HA MET 64 HA MET 64 0.088 9.621 3.410 493 HB2 MET 64 2HB MET 64 -0.849 8.944 0.655 494 HB3 MET 64 1HB MET 64 -0.118 7.943 1.895 495 HG2 MET 64 2HG MET 64 -2.963 9.010 2.007 496 HG3 MET 64 1HG MET 64 -2.495 7.386 1.574 497 HE1 MET 64 3HE MET 64 -1.159 5.749 3.129 498 HE2 MET 64 1HE MET 64 -2.932 5.696 3.052 499 HE3 MET 64 2HE MET 64 -2.103 5.478 4.594 500 H VAL 65 H VAL 65 2.030 9.536 2.118 501 HA VAL 65 HA VAL 65 2.782 12.097 1.178 502 HB VAL 65 HB VAL 65 4.905 11.031 0.513 503 HG11 VAL 65 1HG1 VAL 65 3.730 10.197 3.174 504 HG12 VAL 65 2HG1 VAL 65 4.758 11.586 2.826 505 HG13 VAL 65 3HG1 VAL 65 5.424 9.959 2.758 506 HG21 VAL 65 3HG2 VAL 65 3.232 8.560 0.847 507 HG22 VAL 65 1HG2 VAL 65 4.948 8.465 1.225 508 HG23 VAL 65 2HG2 VAL 65 4.434 8.910 -0.405 509 H LYS 66 H LYS 66 3.041 12.873 -0.856 510 HA LYS 66 HA LYS 66 1.099 12.461 -2.646 511 HB2 LYS 66 2HB LYS 66 3.062 14.220 -2.626 512 HB3 LYS 66 1HB LYS 66 3.779 13.134 -3.812 513 HG2 LYS 66 2HG LYS 66 1.178 13.289 -4.660 514 HG3 LYS 66 1HG LYS 66 1.478 14.932 -4.074 515 HD2 LYS 66 2HD LYS 66 3.461 15.096 -5.515 516 HD3 LYS 66 1HD LYS 66 3.257 13.428 -6.034 517 HE2 LYS 66 2HE LYS 66 1.780 15.849 -6.896 518 HE3 LYS 66 1HE LYS 66 2.125 14.362 -7.777 519 HZ1 LYS 66 3HZ LYS 66 0.077 14.597 -5.621 520 HZ2 LYS 66 1HZ LYS 66 0.401 13.229 -6.588 521 HZ3 LYS 66 2HZ LYS 66 -0.240 14.663 -7.277 522 HA PRO 67 HA PRO 67 3.810 9.375 -5.343 523 HB2 PRO 67 2HB PRO 67 5.117 7.991 -3.047 524 HB3 PRO 67 1HB PRO 67 5.724 8.318 -4.676 525 HG2 PRO 67 2HG PRO 67 6.626 9.727 -2.666 526 HG3 PRO 67 1HG PRO 67 6.268 10.514 -4.207 527 HD2 PRO 67 2HD PRO 67 4.676 10.555 -1.678 528 HD3 PRO 67 1HD PRO 67 4.959 11.855 -2.845 529 H PHE 68 H PHE 68 2.953 8.628 -2.002 530 HA PHE 68 HA PHE 68 1.867 6.055 -2.428 531 HB2 PHE 68 2HB PHE 68 2.558 6.992 -0.218 532 HB3 PHE 68 1HB PHE 68 1.089 7.979 -0.225 533 HD1 PHE 68 1HD PHE 68 -1.149 6.861 -0.174 534 HD2 PHE 68 2HD PHE 68 2.520 4.655 0.152 535 HE1 PHE 68 1HE PHE 68 -2.391 4.897 0.686 536 HE2 PHE 68 2HE PHE 68 1.272 2.701 0.998 537 HZ PHE 68 HZ PHE 68 -1.188 2.824 1.261 538 H GLU 69 H GLU 69 0.352 9.269 -2.181 539 HA GLU 69 HA GLU 69 -2.285 8.311 -2.569 540 HB2 GLU 69 2HB GLU 69 -1.097 11.056 -2.998 541 HB3 GLU 69 1HB GLU 69 -2.805 10.732 -3.204 542 HG2 GLU 69 2HG GLU 69 -2.900 9.886 -0.835 543 HG3 GLU 69 1HG GLU 69 -1.188 10.300 -0.699 544 H ASP 70 H ASP 70 0.135 9.576 -4.814 545 HA ASP 70 HA ASP 70 -1.504 9.491 -7.094 546 HB2 ASP 70 2HB ASP 70 1.446 9.471 -6.659 547 HB3 ASP 70 1HB ASP 70 0.849 9.079 -8.258 548 H ALA 71 H ALA 71 0.511 7.073 -5.561 549 HA ALA 71 HA ALA 71 0.051 5.022 -7.501 550 HB1 ALA 71 1HB ALA 71 1.907 4.908 -5.851 551 HB2 ALA 71 2HB ALA 71 0.866 3.485 -5.763 552 HB3 ALA 71 3HB ALA 71 0.710 4.772 -4.569 553 H ALA 72 H ALA 72 -1.514 5.988 -4.485 554 HA ALA 72 HA ALA 72 -3.328 3.874 -4.235 555 HB1 ALA 72 1HB ALA 72 -4.392 5.162 -2.600 556 HB2 ALA 72 2HB ALA 72 -3.992 6.687 -3.393 557 HB3 ALA 72 3HB ALA 72 -2.737 5.755 -2.576 558 H PHE 73 H PHE 73 -3.657 6.965 -5.900 559 HA PHE 73 HA PHE 73 -6.340 6.526 -6.606 560 HB2 PHE 73 2HB PHE 73 -4.298 8.485 -7.599 561 HB3 PHE 73 1HB PHE 73 -5.858 8.355 -8.405 562 HD1 PHE 73 2HD PHE 73 -7.984 8.537 -7.048 563 HD2 PHE 73 1HD PHE 73 -4.135 9.621 -5.467 564 HE1 PHE 73 2HE PHE 73 -9.084 9.829 -5.229 565 HE2 PHE 73 1HE PHE 73 -5.228 10.884 -3.665 566 HZ PHE 73 HZ PHE 73 -7.715 10.994 -3.545 567 H ARG 74 H ARG 74 -3.356 5.658 -8.179 568 HA ARG 74 HA ARG 74 -4.372 4.988 -10.741 569 HB2 ARG 74 2HB ARG 74 -2.009 3.912 -9.212 570 HB3 ARG 74 1HB ARG 74 -2.411 3.456 -10.860 571 HG2 ARG 74 2HG ARG 74 -2.207 5.767 -11.620 572 HG3 ARG 74 1HG ARG 74 -1.884 6.313 -9.974 573 HD2 ARG 74 2HD ARG 74 0.224 6.008 -11.209 574 HD3 ARG 74 1HD ARG 74 0.097 4.904 -9.847 575 HE ARG 74 HE ARG 74 -0.731 3.988 -12.534 576 HH11 ARG 74 1HH2 ARG 74 1.527 3.831 -9.851 577 HH12 ARG 74 2HH2 ARG 74 2.178 2.313 -10.342 578 HH21 ARG 74 1HH1 ARG 74 0.180 2.010 -13.168 579 HH22 ARG 74 2HH1 ARG 74 1.430 1.282 -12.235 580 H LEU 75 H LEU 75 -4.304 3.230 -7.723 581 HA LEU 75 HA LEU 75 -4.854 0.727 -9.064 582 HB2 LEU 75 2HB LEU 75 -4.613 1.218 -6.104 583 HB3 LEU 75 1HB LEU 75 -4.630 -0.329 -6.908 584 HG LEU 75 HG LEU 75 -2.537 1.825 -7.300 585 HD11 LEU 75 1HD1 LEU 75 -1.688 0.911 -5.435 586 HD12 LEU 75 2HD1 LEU 75 -1.369 -0.519 -6.447 587 HD13 LEU 75 3HD1 LEU 75 -2.811 -0.450 -5.485 588 HD21 LEU 75 3HD2 LEU 75 -2.987 -0.880 -8.579 589 HD22 LEU 75 1HD2 LEU 75 -1.402 -0.129 -8.558 590 HD23 LEU 75 2HD2 LEU 75 -2.716 0.659 -9.401 591 H GLN 76 H GLN 76 -6.935 2.915 -8.843 592 HA GLN 76 HA GLN 76 -9.037 1.877 -7.251 593 HB2 GLN 76 2HB GLN 76 -9.202 3.513 -9.792 594 HB3 GLN 76 1HB GLN 76 -10.512 3.233 -8.642 595 HG2 GLN 76 2HG GLN 76 -7.866 4.463 -7.884 596 HG3 GLN 76 1HG GLN 76 -9.273 5.443 -8.198 597 HE21 GLN 76 1HE2 GLN 76 -7.566 4.576 -5.663 598 HE22 GLN 76 2HE2 GLN 76 -8.767 4.221 -4.528 599 H VAL 77 H VAL 77 -7.629 0.882 -10.167 600 HA VAL 77 HA VAL 77 -9.665 -0.796 -11.190 601 HB VAL 77 HB VAL 77 -7.609 -0.083 -12.427 602 HG11 VAL 77 1HG1 VAL 77 -5.525 -1.323 -12.063 603 HG12 VAL 77 2HG1 VAL 77 -6.216 -2.082 -10.639 604 HG13 VAL 77 3HG1 VAL 77 -5.949 -0.332 -10.671 605 HG21 VAL 77 3HG2 VAL 77 -8.733 -2.807 -12.342 606 HG22 VAL 77 1HG2 VAL 77 -7.090 -2.767 -12.974 607 HG23 VAL 77 2HG2 VAL 77 -8.337 -1.794 -13.718 608 H GLY 78 H GLY 78 -7.476 -1.054 -8.506 609 HA2 GLY 78 2HA GLY 78 -7.868 -2.517 -6.668 610 HA3 GLY 78 1HA GLY 78 -8.650 -3.637 -7.756 611 H GLU 79 H GLU 79 -5.564 -2.180 -8.549 612 HA GLU 79 HA GLU 79 -4.392 -4.879 -8.593 613 HB2 GLU 79 2HB GLU 79 -4.459 -3.445 -10.675 614 HB3 GLU 79 1HB GLU 79 -3.338 -2.360 -9.868 615 HG2 GLU 79 2HG GLU 79 -1.699 -4.186 -9.628 616 HG3 GLU 79 1HG GLU 79 -2.831 -5.306 -10.397 617 H VAL 80 H VAL 80 -2.152 -5.143 -7.961 618 HA VAL 80 HA VAL 80 -1.411 -3.684 -5.555 619 HB VAL 80 HB VAL 80 0.267 -5.693 -7.098 620 HG11 VAL 80 1HG1 VAL 80 1.445 -5.987 -5.007 621 HG12 VAL 80 2HG1 VAL 80 0.303 -4.949 -4.162 622 HG13 VAL 80 3HG1 VAL 80 1.390 -4.262 -5.366 623 HG21 VAL 80 3HG2 VAL 80 -1.988 -6.659 -6.428 624 HG22 VAL 80 1HG2 VAL 80 -1.587 -6.252 -4.758 625 HG23 VAL 80 2HG2 VAL 80 -0.618 -7.422 -5.633 626 H SER 81 H SER 81 -0.041 -1.946 -5.532 627 HA SER 81 HA SER 81 0.656 -0.680 -7.974 628 HB2 SER 81 2HB SER 81 1.976 0.852 -6.481 629 HB3 SER 81 1HB SER 81 0.289 0.762 -6.075 630 HG SER 81 HG SER 81 2.462 0.153 -4.645 631 H GLU 82 H GLU 82 2.783 -0.130 -8.693 632 HA GLU 82 HA GLU 82 4.822 -2.167 -8.326 633 HB2 GLU 82 2HB GLU 82 5.210 0.552 -9.578 634 HB3 GLU 82 1HB GLU 82 6.054 -0.938 -9.928 635 HG2 GLU 82 2HG GLU 82 4.637 -0.968 -11.735 636 HG3 GLU 82 1HG GLU 82 3.636 -1.807 -10.555 637 HA PRO 83 HA PRO 83 6.840 -0.547 -4.861 638 HB2 PRO 83 2HB PRO 83 9.133 0.349 -6.560 639 HB3 PRO 83 1HB PRO 83 9.153 -0.598 -5.060 640 HG2 PRO 83 2HG PRO 83 9.504 -1.775 -7.412 641 HG3 PRO 83 1HG PRO 83 8.580 -2.571 -6.133 642 HD2 PRO 83 2HD PRO 83 7.548 -1.399 -8.672 643 HD3 PRO 83 1HD PRO 83 6.865 -2.636 -7.614 644 H VAL 84 H VAL 84 6.384 1.369 -3.863 645 HA VAL 84 HA VAL 84 6.291 3.846 -5.461 646 HB VAL 84 HB VAL 84 5.046 3.195 -2.788 647 HG11 VAL 84 1HG1 VAL 84 5.019 5.613 -4.562 648 HG12 VAL 84 2HG1 VAL 84 5.082 5.498 -2.801 649 HG13 VAL 84 3HG1 VAL 84 3.564 5.213 -3.648 650 HG21 VAL 84 3HG2 VAL 84 2.914 3.008 -4.034 651 HG22 VAL 84 1HG2 VAL 84 4.077 1.816 -4.607 652 HG23 VAL 84 2HG2 VAL 84 3.768 3.282 -5.545 653 H LYS 85 H LYS 85 8.168 4.914 -5.262 654 HA LYS 85 HA LYS 85 9.807 4.650 -2.919 655 HB2 LYS 85 2HB LYS 85 10.737 4.870 -5.251 656 HB3 LYS 85 1HB LYS 85 10.166 6.536 -5.269 657 HG2 LYS 85 2HG LYS 85 12.535 6.463 -4.656 658 HG3 LYS 85 1HG LYS 85 11.595 7.040 -3.287 659 HD2 LYS 85 2HD LYS 85 11.822 5.048 -2.098 660 HD3 LYS 85 1HD LYS 85 12.174 4.079 -3.522 661 HE2 LYS 85 2HE LYS 85 14.072 6.258 -2.578 662 HE3 LYS 85 1HE LYS 85 14.125 4.630 -1.917 663 HZ1 LYS 85 3HZ LYS 85 14.328 5.237 -4.838 664 HZ2 LYS 85 1HZ LYS 85 14.562 3.725 -4.112 665 HZ3 LYS 85 2HZ LYS 85 15.630 4.980 -3.810 666 H SER 86 H SER 86 9.851 6.009 -1.205 667 HA SER 86 HA SER 86 8.497 8.607 -1.351 668 HB2 SER 86 2HB SER 86 6.894 8.042 0.245 669 HB3 SER 86 1HB SER 86 6.922 6.634 -0.788 670 HG SER 86 HG SER 86 7.411 5.603 0.968 671 H GLU 87 H GLU 87 8.552 9.561 0.852 672 HA GLU 87 HA GLU 87 11.151 9.906 1.836 673 HB2 GLU 87 2HB GLU 87 9.242 10.321 3.967 674 HB3 GLU 87 1HB GLU 87 10.134 11.514 3.030 675 HG2 GLU 87 2HG GLU 87 7.467 10.266 2.196 676 HG3 GLU 87 1HG GLU 87 7.687 11.841 2.878 677 H PHE 88 H PHE 88 8.567 7.699 2.680 678 HA PHE 88 HA PHE 88 9.764 6.527 4.996 679 HB2 PHE 88 2HB PHE 88 7.560 5.645 3.145 680 HB3 PHE 88 1HB PHE 88 8.097 4.653 4.477 681 HD1 PHE 88 1HD PHE 88 7.853 5.423 6.833 682 HD2 PHE 88 2HD PHE 88 6.337 7.730 3.528 683 HE1 PHE 88 1HE PHE 88 6.501 6.760 8.392 684 HE2 PHE 88 2HE PHE 88 4.975 9.072 5.108 685 HZ PHE 88 HZ PHE 88 5.052 8.590 7.536 686 H GLY 89 H GLY 89 9.681 5.685 1.566 687 HA2 GLY 89 2HA GLY 89 11.991 4.526 0.978 688 HA3 GLY 89 1HA GLY 89 11.313 3.272 2.016 689 H TYR 90 H TYR 90 10.439 1.664 0.826 690 HA TYR 90 HA TYR 90 9.081 2.431 -1.671 691 HB2 TYR 90 2HB TYR 90 10.329 -0.208 -0.860 692 HB3 TYR 90 1HB TYR 90 9.364 0.039 -2.287 693 HD1 TYR 90 1HD TYR 90 12.548 0.853 -0.633 694 HD2 TYR 90 2HD TYR 90 10.205 1.306 -4.210 695 HE1 TYR 90 1HE TYR 90 14.537 1.653 -1.829 696 HE2 TYR 90 2HE TYR 90 12.186 2.111 -5.413 697 HH TYR 90 HH TYR 90 14.832 1.661 -4.994 698 H HIS 91 H HIS 91 6.923 2.149 -1.711 699 HA HIS 91 HA HIS 91 5.707 0.379 0.341 700 HB2 HIS 91 2HB HIS 91 4.122 2.414 -1.250 701 HB3 HIS 91 1HB HIS 91 3.666 1.510 0.160 702 HD1 HIS 91 1HD HIS 91 3.478 3.031 2.079 703 HD2 HIS 91 2HD HIS 91 6.748 4.010 -0.296 704 HE1 HIS 91 1HE HIS 91 4.579 5.014 3.176 705 H VAL 92 H VAL 92 4.265 -1.122 -0.288 706 HA VAL 92 HA VAL 92 3.755 -1.469 -3.180 707 HB VAL 92 HB VAL 92 4.055 -3.574 -1.013 708 HG11 VAL 92 1HG1 VAL 92 2.991 -3.752 -3.836 709 HG12 VAL 92 2HG1 VAL 92 2.247 -4.346 -2.341 710 HG13 VAL 92 3HG1 VAL 92 3.659 -5.156 -3.009 711 HG21 VAL 92 3HG2 VAL 92 5.736 -4.454 -2.787 712 HG22 VAL 92 1HG2 VAL 92 6.221 -3.071 -1.809 713 HG23 VAL 92 2HG2 VAL 92 5.656 -2.836 -3.471 714 H ILE 93 H ILE 93 1.584 -1.118 -3.587 715 HA ILE 93 HA ILE 93 -0.173 -1.084 -1.231 716 HB ILE 93 HB ILE 93 -0.215 0.622 -3.721 717 HG12 ILE 93 2HG1 ILE 93 0.339 1.396 -0.841 718 HG13 ILE 93 1HG1 ILE 93 1.619 1.095 -2.013 719 HG21 ILE 93 1HG2 ILE 93 -2.481 0.278 -2.910 720 HG22 ILE 93 2HG2 ILE 93 -1.960 1.899 -2.443 721 HG23 ILE 93 3HG2 ILE 93 -1.971 0.597 -1.252 722 HD11 ILE 93 3HD1 ILE 93 -0.412 3.308 -1.963 723 HD12 ILE 93 1HD1 ILE 93 0.311 2.812 -3.493 724 HD13 ILE 93 2HD1 ILE 93 1.337 3.400 -2.181 725 H LYS 94 H LYS 94 -1.915 -2.244 -1.257 726 HA LYS 94 HA LYS 94 -2.979 -3.214 -3.836 727 HB2 LYS 94 2HB LYS 94 -2.347 -5.151 -2.540 728 HB3 LYS 94 1HB LYS 94 -3.138 -4.524 -1.095 729 HG2 LYS 94 2HG LYS 94 -4.638 -6.135 -2.032 730 HG3 LYS 94 1HG LYS 94 -5.345 -4.586 -2.421 731 HD2 LYS 94 2HD LYS 94 -4.255 -4.718 -4.696 732 HD3 LYS 94 1HD LYS 94 -3.680 -6.332 -4.253 733 HE2 LYS 94 2HE LYS 94 -6.039 -7.073 -3.902 734 HE3 LYS 94 1HE LYS 94 -6.592 -5.491 -4.391 735 HZ1 LYS 94 3HZ LYS 94 -4.782 -6.897 -6.241 736 HZ2 LYS 94 1HZ LYS 94 -6.101 -5.904 -6.605 737 HZ3 LYS 94 2HZ LYS 94 -6.352 -7.464 -6.080 738 H ARG 95 H ARG 95 -4.982 -2.470 -4.304 739 HA ARG 95 HA ARG 95 -6.211 -0.637 -2.443 740 HB2 ARG 95 2HB ARG 95 -6.277 -0.188 -4.898 741 HB3 ARG 95 1HB ARG 95 -7.286 -1.623 -5.088 742 HG2 ARG 95 2HG ARG 95 -8.978 -0.638 -3.541 743 HG3 ARG 95 1HG ARG 95 -7.963 0.792 -3.396 744 HD2 ARG 95 2HD ARG 95 -8.100 1.178 -5.761 745 HD3 ARG 95 1HD ARG 95 -9.180 -0.195 -5.996 746 HE ARG 95 HE ARG 95 -9.852 2.421 -4.867 747 HH11 ARG 95 1HH2 ARG 95 -10.721 -0.956 -5.153 748 HH12 ARG 95 2HH2 ARG 95 -12.380 -0.680 -4.850 749 HH21 ARG 95 1HH1 ARG 95 -12.070 2.778 -4.430 750 HH22 ARG 95 2HH1 ARG 95 -13.156 1.471 -4.434 751 H LEU 96 H LEU 96 -7.930 -0.996 -1.219 752 HA LEU 96 HA LEU 96 -8.761 -3.790 -0.910 753 HB2 LEU 96 2HB LEU 96 -7.575 -2.842 0.978 754 HB3 LEU 96 1HB LEU 96 -8.648 -1.447 0.986 755 HG LEU 96 HG LEU 96 -10.566 -2.954 1.466 756 HD11 LEU 96 1HD1 LEU 96 -8.340 -5.014 1.477 757 HD12 LEU 96 2HD1 LEU 96 -9.891 -5.079 0.634 758 HD13 LEU 96 3HD1 LEU 96 -9.835 -5.270 2.372 759 HD21 LEU 96 3HD2 LEU 96 -8.190 -2.640 3.268 760 HD22 LEU 96 1HD2 LEU 96 -9.511 -3.668 3.823 761 HD23 LEU 96 2HD2 LEU 96 -9.817 -1.982 3.431 762 H GLY 97 H GLY 97 -10.855 -4.316 -1.147 763 HA2 GLY 97 2HA GLY 97 -12.745 -2.108 -1.665 764 HA3 GLY 97 1HA GLY 97 -12.830 -3.667 -2.436 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.046 8.591 -9.069 2 HA2 GLY 1 2HA GLY 1 -15.517 7.523 -9.625 3 HA3 GLY 1 1HA GLY 1 -15.201 7.157 -7.926 4 HA PRO 2 HA PRO 2 -16.886 11.574 -8.445 5 HB2 PRO 2 2HB PRO 2 -19.079 11.279 -6.904 6 HB3 PRO 2 1HB PRO 2 -19.084 10.899 -8.635 7 HG2 PRO 2 2HG PRO 2 -18.867 9.016 -6.324 8 HG3 PRO 2 1HG PRO 2 -19.790 8.876 -7.828 9 HD2 PRO 2 2HD PRO 2 -17.425 7.609 -7.484 10 HD3 PRO 2 1HD PRO 2 -17.969 8.187 -9.080 11 H MET 3 H MET 3 -16.473 13.157 -6.898 12 HA MET 3 HA MET 3 -15.181 12.297 -4.450 13 HB2 MET 3 2HB MET 3 -15.499 15.040 -5.683 14 HB3 MET 3 1HB MET 3 -14.665 14.730 -4.171 15 HG2 MET 3 2HG MET 3 -13.930 13.464 -6.828 16 HG3 MET 3 1HG MET 3 -13.095 14.821 -6.096 17 HE1 MET 3 3HE MET 3 -13.983 10.850 -5.451 18 HE2 MET 3 1HE MET 3 -12.253 10.544 -5.632 19 HE3 MET 3 2HE MET 3 -13.108 11.456 -6.849 20 H GLY 4 H GLY 4 -15.657 13.148 -2.381 21 HA2 GLY 4 2HA GLY 4 -17.002 13.894 -0.682 22 HA3 GLY 4 1HA GLY 4 -18.241 14.360 -1.838 23 H SER 5 H SER 5 -17.733 11.532 -3.006 24 HA SER 5 HA SER 5 -19.857 10.133 -1.761 25 HB2 SER 5 2HB SER 5 -17.621 8.784 -3.247 26 HB3 SER 5 1HB SER 5 -19.343 8.456 -3.282 27 HG SER 5 HG SER 5 -17.848 10.046 -4.846 28 H MET 6 H MET 6 -19.559 8.182 -0.380 29 HA MET 6 HA MET 6 -17.608 8.521 1.619 30 HB2 MET 6 2HB MET 6 -19.673 7.107 1.930 31 HB3 MET 6 1HB MET 6 -18.975 5.925 0.833 32 HG2 MET 6 2HG MET 6 -17.023 5.651 2.351 33 HG3 MET 6 1HG MET 6 -17.746 6.809 3.459 34 HE1 MET 6 3HE MET 6 -17.599 2.851 2.818 35 HE2 MET 6 1HE MET 6 -18.113 3.790 1.405 36 HE3 MET 6 2HE MET 6 -19.238 2.709 2.213 37 H ALA 7 H ALA 7 -17.797 6.626 -1.290 38 HA ALA 7 HA ALA 7 -15.177 5.455 -1.025 39 HB1 ALA 7 1HB ALA 7 -17.264 4.462 -2.244 40 HB2 ALA 7 2HB ALA 7 -15.661 4.238 -2.941 41 HB3 ALA 7 3HB ALA 7 -16.729 5.470 -3.592 42 H ASP 8 H ASP 8 -15.462 8.499 -1.169 43 HA ASP 8 HA ASP 8 -14.075 9.095 -3.665 44 HB2 ASP 8 2HB ASP 8 -14.102 11.391 -3.006 45 HB3 ASP 8 1HB ASP 8 -15.725 10.732 -2.683 46 H LYS 9 H LYS 9 -13.164 7.404 -1.368 47 HA LYS 9 HA LYS 9 -10.541 8.617 -0.804 48 HB2 LYS 9 2HB LYS 9 -12.175 6.580 0.706 49 HB3 LYS 9 1HB LYS 9 -10.631 7.254 1.238 50 HG2 LYS 9 2HG LYS 9 -11.599 9.542 1.210 51 HG3 LYS 9 1HG LYS 9 -13.095 8.830 0.624 52 HD2 LYS 9 2HD LYS 9 -13.038 7.395 2.803 53 HD3 LYS 9 1HD LYS 9 -11.855 8.620 3.304 54 HE2 LYS 9 2HE LYS 9 -14.197 9.201 3.994 55 HE3 LYS 9 1HE LYS 9 -13.388 10.396 3.005 56 HZ1 LYS 9 3HZ LYS 9 -15.756 9.772 2.332 57 HZ2 LYS 9 1HZ LYS 9 -15.108 8.346 1.681 58 HZ3 LYS 9 2HZ LYS 9 -14.603 9.848 1.112 59 H ILE 10 H ILE 10 -8.977 6.705 -0.228 60 HA ILE 10 HA ILE 10 -9.175 4.706 -2.395 61 HB ILE 10 HB ILE 10 -6.765 5.288 -0.711 62 HG12 ILE 10 2HG1 ILE 10 -7.403 7.440 -1.718 63 HG13 ILE 10 1HG1 ILE 10 -5.965 6.822 -2.496 64 HG21 ILE 10 1HG2 ILE 10 -5.816 3.730 -1.990 65 HG22 ILE 10 2HG2 ILE 10 -6.225 4.592 -3.463 66 HG23 ILE 10 3HG2 ILE 10 -7.356 3.428 -2.784 67 HD11 ILE 10 3HD1 ILE 10 -7.731 5.686 -4.128 68 HD12 ILE 10 1HD1 ILE 10 -7.144 7.331 -4.360 69 HD13 ILE 10 2HD1 ILE 10 -8.719 7.057 -3.597 70 H LYS 11 H LYS 11 -9.687 2.709 -1.757 71 HA LYS 11 HA LYS 11 -9.254 1.972 1.059 72 HB2 LYS 11 2HB LYS 11 -10.927 0.527 -1.069 73 HB3 LYS 11 1HB LYS 11 -10.569 -0.045 0.527 74 HG2 LYS 11 2HG LYS 11 -11.670 1.813 1.605 75 HG3 LYS 11 1HG LYS 11 -11.923 2.613 0.057 76 HD2 LYS 11 2HD LYS 11 -14.003 1.536 0.656 77 HD3 LYS 11 1HD LYS 11 -13.290 0.672 -0.689 78 HE2 LYS 11 2HE LYS 11 -12.367 -1.045 0.821 79 HE3 LYS 11 1HE LYS 11 -13.006 -0.195 2.226 80 HZ1 LYS 11 3HZ LYS 11 -14.777 -1.564 1.885 81 HZ2 LYS 11 1HZ LYS 11 -14.280 -1.913 0.319 82 HZ3 LYS 11 2HZ LYS 11 -15.177 -0.517 0.616 83 H CYS 12 H CYS 12 -7.224 1.382 1.238 84 HA CYS 12 HA CYS 12 -6.237 -0.706 -0.590 85 HB2 CYS 12 2HB CYS 12 -4.714 0.566 -1.612 86 HB3 CYS 12 1HB CYS 12 -5.600 1.952 -0.992 87 HG CYS 12 HG CYS 12 -3.134 2.192 -0.176 88 H SER 13 H SER 13 -4.082 -1.480 0.000 89 HA SER 13 HA SER 13 -3.499 -1.318 2.844 90 HB2 SER 13 2HB SER 13 -3.362 -3.922 1.306 91 HB3 SER 13 1HB SER 13 -3.245 -3.684 3.041 92 HG SER 13 HG SER 13 -5.534 -2.882 1.591 93 H HIS 14 H HIS 14 -1.193 -1.485 3.245 94 HA HIS 14 HA HIS 14 0.419 -1.653 0.802 95 HB2 HIS 14 2HB HIS 14 1.448 0.346 0.981 96 HB3 HIS 14 1HB HIS 14 -0.102 0.804 1.664 97 HD2 HIS 14 2HD HIS 14 0.362 -0.215 4.779 98 HE1 HIS 14 1HE HIS 14 3.903 2.071 4.672 99 HE2 HIS 14 2HE HIS 14 2.205 0.892 6.197 100 H ILE 15 H ILE 15 2.532 -2.168 0.967 101 HA ILE 15 HA ILE 15 3.445 -3.287 3.546 102 HB ILE 15 HB ILE 15 3.842 -4.431 0.751 103 HG12 ILE 15 2HG1 ILE 15 2.407 -5.604 3.150 104 HG13 ILE 15 1HG1 ILE 15 1.594 -4.752 1.848 105 HG21 ILE 15 1HG2 ILE 15 5.592 -5.574 1.588 106 HG22 ILE 15 2HG2 ILE 15 4.560 -6.235 2.849 107 HG23 ILE 15 3HG2 ILE 15 5.437 -4.736 3.139 108 HD11 ILE 15 3HD1 ILE 15 3.232 -7.279 1.586 109 HD12 ILE 15 1HD1 ILE 15 2.552 -6.384 0.219 110 HD13 ILE 15 2HD1 ILE 15 1.483 -7.120 1.419 111 H LEU 16 H LEU 16 5.292 -2.380 4.163 112 HA LEU 16 HA LEU 16 6.698 -0.641 2.257 113 HB2 LEU 16 2HB LEU 16 5.877 0.328 4.422 114 HB3 LEU 16 1HB LEU 16 6.964 -0.760 5.272 115 HG LEU 16 HG LEU 16 8.913 0.266 4.047 116 HD11 LEU 16 1HD1 LEU 16 7.601 2.701 3.242 117 HD12 LEU 16 2HD1 LEU 16 6.889 1.357 2.379 118 HD13 LEU 16 3HD1 LEU 16 8.629 1.630 2.318 119 HD21 LEU 16 3HD2 LEU 16 7.333 2.478 5.348 120 HD22 LEU 16 1HD2 LEU 16 9.058 2.156 5.442 121 HD23 LEU 16 2HD2 LEU 16 7.910 1.134 6.323 122 H VAL 17 H VAL 17 8.553 -1.289 1.408 123 HA VAL 17 HA VAL 17 10.194 -3.252 2.862 124 HB VAL 17 HB VAL 17 10.704 -4.304 0.687 125 HG11 VAL 17 1HG1 VAL 17 7.753 -4.201 1.405 126 HG12 VAL 17 2HG1 VAL 17 8.961 -5.273 2.128 127 HG13 VAL 17 3HG1 VAL 17 8.520 -5.453 0.431 128 HG21 VAL 17 3HG2 VAL 17 9.201 -3.807 -1.236 129 HG22 VAL 17 1HG2 VAL 17 10.170 -2.402 -0.796 130 HG23 VAL 17 2HG2 VAL 17 8.473 -2.486 -0.319 131 H LYS 18 H LYS 18 12.372 -3.245 2.337 132 HA LYS 18 HA LYS 18 13.543 -0.679 2.251 133 HB2 LYS 18 2HB LYS 18 14.750 -3.434 1.941 134 HB3 LYS 18 1HB LYS 18 15.668 -1.947 2.117 135 HG2 LYS 18 2HG LYS 18 14.656 -1.500 4.282 136 HG3 LYS 18 1HG LYS 18 13.623 -2.926 4.130 137 HD2 LYS 18 2HD LYS 18 15.622 -4.365 4.005 138 HD3 LYS 18 1HD LYS 18 16.661 -2.958 4.233 139 HE2 LYS 18 2HE LYS 18 14.485 -3.681 6.207 140 HE3 LYS 18 1HE LYS 18 16.109 -4.352 6.321 141 HZ1 LYS 18 3HZ LYS 18 15.588 -1.412 6.198 142 HZ2 LYS 18 1HZ LYS 18 17.034 -2.211 6.553 143 HZ3 LYS 18 2HZ LYS 18 15.730 -2.285 7.629 144 H LYS 19 H LYS 19 13.222 -3.232 -0.150 145 HA LYS 19 HA LYS 19 14.709 -1.571 -2.112 146 HB2 LYS 19 2HB LYS 19 14.219 -4.521 -2.018 147 HB3 LYS 19 1HB LYS 19 15.213 -3.690 -3.202 148 HG2 LYS 19 2HG LYS 19 16.690 -2.865 -1.378 149 HG3 LYS 19 1HG LYS 19 15.711 -3.736 -0.211 150 HD2 LYS 19 2HD LYS 19 16.200 -5.880 -1.473 151 HD3 LYS 19 1HD LYS 19 17.313 -4.949 -2.469 152 HE2 LYS 19 2HE LYS 19 18.485 -6.075 -0.659 153 HE3 LYS 19 1HE LYS 19 18.621 -4.323 -0.471 154 HZ1 LYS 19 3HZ LYS 19 17.387 -4.373 1.407 155 HZ2 LYS 19 1HZ LYS 19 17.819 -6.000 1.462 156 HZ3 LYS 19 2HZ LYS 19 16.308 -5.556 0.827 157 H GLN 20 H GLN 20 14.057 -1.479 -4.246 158 HA GLN 20 HA GLN 20 11.268 -1.543 -4.864 159 HB2 GLN 20 2HB GLN 20 13.739 -1.457 -6.630 160 HB3 GLN 20 1HB GLN 20 12.096 -1.309 -7.219 161 HG2 GLN 20 2HG GLN 20 11.706 0.682 -5.902 162 HG3 GLN 20 1HG GLN 20 13.271 0.525 -5.113 163 HE21 GLN 20 1HE2 GLN 20 11.768 2.221 -7.555 164 HE22 GLN 20 2HE2 GLN 20 13.122 2.544 -8.514 165 H GLY 21 H GLY 21 14.027 -3.701 -5.344 166 HA2 GLY 21 2HA GLY 21 12.719 -5.694 -6.865 167 HA3 GLY 21 1HA GLY 21 14.159 -5.960 -5.874 168 H GLU 22 H GLU 22 12.955 -5.118 -3.421 169 HA GLU 22 HA GLU 22 11.654 -7.514 -2.568 170 HB2 GLU 22 2HB GLU 22 11.937 -4.773 -1.277 171 HB3 GLU 22 1HB GLU 22 11.208 -6.171 -0.519 172 HG2 GLU 22 2HG GLU 22 13.206 -7.423 -0.562 173 HG3 GLU 22 1HG GLU 22 14.047 -6.330 -1.625 174 H ALA 23 H ALA 23 10.613 -4.263 -3.450 175 HA ALA 23 HA ALA 23 7.857 -4.602 -2.891 176 HB1 ALA 23 1HB ALA 23 8.340 -2.375 -3.251 177 HB2 ALA 23 2HB ALA 23 7.673 -2.801 -4.827 178 HB3 ALA 23 3HB ALA 23 9.418 -2.705 -4.606 179 H LEU 24 H LEU 24 9.770 -5.202 -5.799 180 HA LEU 24 HA LEU 24 7.613 -6.175 -7.397 181 HB2 LEU 24 2HB LEU 24 10.608 -6.498 -7.489 182 HB3 LEU 24 1HB LEU 24 9.601 -7.531 -8.478 183 HG LEU 24 HG LEU 24 10.441 -5.352 -9.553 184 HD11 LEU 24 1HD1 LEU 24 8.300 -6.890 -10.094 185 HD12 LEU 24 2HD1 LEU 24 8.728 -5.455 -11.009 186 HD13 LEU 24 3HD1 LEU 24 7.484 -5.357 -9.774 187 HD21 LEU 24 3HD2 LEU 24 8.219 -4.193 -7.803 188 HD22 LEU 24 1HD2 LEU 24 9.022 -3.368 -9.131 189 HD23 LEU 24 2HD2 LEU 24 9.936 -3.804 -7.698 190 H ALA 25 H ALA 25 9.845 -7.659 -5.134 191 HA ALA 25 HA ALA 25 9.145 -10.342 -5.509 192 HB1 ALA 25 1HB ALA 25 10.125 -10.782 -3.391 193 HB2 ALA 25 2HB ALA 25 9.833 -9.148 -2.818 194 HB3 ALA 25 3HB ALA 25 11.046 -9.440 -4.067 195 H VAL 26 H VAL 26 7.783 -7.966 -3.227 196 HA VAL 26 HA VAL 26 5.836 -9.779 -2.289 197 HB VAL 26 HB VAL 26 4.872 -8.019 -1.061 198 HG11 VAL 26 1HG1 VAL 26 7.497 -8.537 -0.815 199 HG12 VAL 26 2HG1 VAL 26 6.690 -7.325 0.178 200 HG13 VAL 26 3HG1 VAL 26 7.598 -6.833 -1.230 201 HG21 VAL 26 3HG2 VAL 26 4.611 -6.439 -3.060 202 HG22 VAL 26 1HG2 VAL 26 6.307 -6.009 -2.797 203 HG23 VAL 26 2HG2 VAL 26 5.115 -5.678 -1.553 204 H GLN 27 H GLN 27 5.795 -7.384 -4.859 205 HA GLN 27 HA GLN 27 3.065 -7.498 -5.534 206 HB2 GLN 27 2HB GLN 27 5.520 -7.063 -7.255 207 HB3 GLN 27 1HB GLN 27 3.873 -6.898 -7.849 208 HG2 GLN 27 2HG GLN 27 3.375 -5.125 -6.375 209 HG3 GLN 27 1HG GLN 27 4.825 -5.363 -5.408 210 HE21 GLN 27 1HE2 GLN 27 4.724 -2.849 -6.186 211 HE22 GLN 27 2HE2 GLN 27 5.638 -2.532 -7.575 212 H GLU 28 H GLU 28 5.781 -9.489 -6.641 213 HA GLU 28 HA GLU 28 4.196 -11.277 -8.225 214 HB2 GLU 28 2HB GLU 28 6.926 -11.605 -6.946 215 HB3 GLU 28 1HB GLU 28 6.181 -12.759 -8.043 216 HG2 GLU 28 2HG GLU 28 6.686 -9.851 -8.737 217 HG3 GLU 28 1HG GLU 28 7.756 -11.167 -9.196 218 H ARG 29 H ARG 29 5.415 -11.280 -4.922 219 HA ARG 29 HA ARG 29 4.654 -13.862 -4.266 220 HB2 ARG 29 2HB ARG 29 6.243 -12.559 -2.903 221 HB3 ARG 29 1HB ARG 29 4.893 -11.532 -2.378 222 HG2 ARG 29 2HG ARG 29 3.762 -13.439 -1.366 223 HG3 ARG 29 1HG ARG 29 5.006 -14.519 -1.966 224 HD2 ARG 29 2HD ARG 29 6.679 -13.482 -0.585 225 HD3 ARG 29 1HD ARG 29 5.572 -12.237 -0.046 226 HE ARG 29 HE ARG 29 4.573 -14.897 0.472 227 HH11 ARG 29 1HH2 ARG 29 6.821 -12.472 1.633 228 HH12 ARG 29 2HH2 ARG 29 6.654 -12.933 3.266 229 HH21 ARG 29 1HH1 ARG 29 4.341 -15.478 2.624 230 HH22 ARG 29 2HH1 ARG 29 5.201 -14.626 3.854 231 H LEU 30 H LEU 30 2.792 -10.886 -4.054 232 HA LEU 30 HA LEU 30 0.630 -11.936 -2.577 233 HB2 LEU 30 2HB LEU 30 0.914 -9.646 -4.499 234 HB3 LEU 30 1HB LEU 30 -0.710 -10.163 -4.111 235 HG LEU 30 HG LEU 30 0.067 -8.332 -2.645 236 HD11 LEU 30 1HD1 LEU 30 -0.435 -9.456 -0.452 237 HD12 LEU 30 2HD1 LEU 30 -0.505 -10.986 -1.290 238 HD13 LEU 30 3HD1 LEU 30 -1.628 -9.687 -1.713 239 HD21 LEU 30 3HD2 LEU 30 2.238 -10.326 -1.907 240 HD22 LEU 30 1HD2 LEU 30 1.723 -9.040 -0.813 241 HD23 LEU 30 2HD2 LEU 30 2.380 -8.624 -2.373 242 H LYS 31 H LYS 31 1.456 -12.080 -5.954 243 HA LYS 31 HA LYS 31 -0.992 -13.248 -6.840 244 HB2 LYS 31 2HB LYS 31 1.664 -13.712 -8.187 245 HB3 LYS 31 1HB LYS 31 0.074 -13.586 -8.916 246 HG2 LYS 31 2HG LYS 31 1.731 -11.335 -7.734 247 HG3 LYS 31 1HG LYS 31 1.227 -11.560 -9.390 248 HD2 LYS 31 2HD LYS 31 -1.166 -11.256 -8.740 249 HD3 LYS 31 1HD LYS 31 -0.683 -11.052 -7.079 250 HE2 LYS 31 2HE LYS 31 -1.017 -8.860 -8.125 251 HE3 LYS 31 1HE LYS 31 0.656 -9.067 -7.633 252 HZ1 LYS 31 3HZ LYS 31 0.212 -10.012 -10.305 253 HZ2 LYS 31 1HZ LYS 31 1.328 -8.905 -9.709 254 HZ3 LYS 31 2HZ LYS 31 -0.198 -8.365 -10.116 255 H ALA 32 H ALA 32 1.573 -14.462 -4.919 256 HA ALA 32 HA ALA 32 1.441 -17.199 -5.749 257 HB1 ALA 32 1HB ALA 32 3.384 -16.110 -4.491 258 HB2 ALA 32 2HB ALA 32 2.841 -17.669 -3.883 259 HB3 ALA 32 3HB ALA 32 2.371 -16.196 -3.051 260 H GLY 33 H GLY 33 -0.618 -15.145 -4.059 261 HA2 GLY 33 2HA GLY 33 -2.787 -15.730 -3.422 262 HA3 GLY 33 1HA GLY 33 -2.293 -17.412 -3.303 263 H GLU 34 H GLU 34 -0.181 -15.152 -1.770 264 HA GLU 34 HA GLU 34 -0.996 -16.178 0.832 265 HB2 GLU 34 2HB GLU 34 1.237 -14.264 0.074 266 HB3 GLU 34 1HB GLU 34 0.884 -14.802 1.711 267 HG2 GLU 34 2HG GLU 34 1.098 -17.222 0.763 268 HG3 GLU 34 1HG GLU 34 1.818 -16.455 -0.623 269 H LYS 35 H LYS 35 -1.764 -14.948 2.508 270 HA LYS 35 HA LYS 35 -3.622 -12.952 1.794 271 HB2 LYS 35 2HB LYS 35 -3.514 -14.581 3.871 272 HB3 LYS 35 1HB LYS 35 -2.678 -13.224 4.622 273 HG2 LYS 35 2HG LYS 35 -4.539 -11.752 4.208 274 HG3 LYS 35 1HG LYS 35 -5.386 -12.986 3.264 275 HD2 LYS 35 2HD LYS 35 -5.460 -14.431 5.294 276 HD3 LYS 35 1HD LYS 35 -4.720 -13.151 6.238 277 HE2 LYS 35 2HE LYS 35 -7.344 -12.877 4.731 278 HE3 LYS 35 1HE LYS 35 -7.198 -13.204 6.445 279 HZ1 LYS 35 3HZ LYS 35 -6.242 -10.739 5.050 280 HZ2 LYS 35 1HZ LYS 35 -5.938 -11.100 6.676 281 HZ3 LYS 35 2HZ LYS 35 -7.513 -10.900 6.125 282 H PHE 36 H PHE 36 -3.480 -10.773 1.758 283 HA PHE 36 HA PHE 36 -0.999 -9.512 1.554 284 HB2 PHE 36 2HB PHE 36 -3.164 -8.656 0.616 285 HB3 PHE 36 1HB PHE 36 -3.621 -8.154 2.242 286 HD1 PHE 36 1HD PHE 36 -1.349 -7.533 -0.597 287 HD2 PHE 36 2HD PHE 36 -2.470 -6.296 3.370 288 HE1 PHE 36 1HE PHE 36 -0.062 -5.440 -0.881 289 HE2 PHE 36 2HE PHE 36 -1.183 -4.203 3.066 290 HZ PHE 36 HZ PHE 36 0.013 -3.780 0.934 291 H GLY 37 H GLY 37 -3.285 -9.538 4.256 292 HA2 GLY 37 2HA GLY 37 -1.812 -7.866 5.981 293 HA3 GLY 37 1HA GLY 37 -3.040 -9.050 6.474 294 H LYS 38 H LYS 38 -1.728 -11.294 5.383 295 HA LYS 38 HA LYS 38 -0.031 -12.096 7.494 296 HB2 LYS 38 2HB LYS 38 -1.256 -13.687 6.110 297 HB3 LYS 38 1HB LYS 38 -0.347 -13.191 4.683 298 HG2 LYS 38 2HG LYS 38 1.719 -13.998 5.755 299 HG3 LYS 38 1HG LYS 38 0.791 -14.524 7.167 300 HD2 LYS 38 2HD LYS 38 -0.566 -15.995 5.748 301 HD3 LYS 38 1HD LYS 38 0.352 -15.521 4.324 302 HE2 LYS 38 2HE LYS 38 1.557 -16.820 6.792 303 HE3 LYS 38 1HE LYS 38 1.079 -17.671 5.331 304 HZ1 LYS 38 3HZ LYS 38 3.216 -15.660 5.659 305 HZ2 LYS 38 1HZ LYS 38 2.635 -16.042 4.095 306 HZ3 LYS 38 2HZ LYS 38 3.312 -17.239 5.073 307 H LEU 39 H LEU 39 0.556 -11.088 4.165 308 HA LEU 39 HA LEU 39 3.387 -11.051 4.294 309 HB2 LEU 39 2HB LEU 39 1.481 -9.533 2.513 310 HB3 LEU 39 1HB LEU 39 3.206 -9.584 2.323 311 HG LEU 39 HG LEU 39 1.217 -11.589 1.553 312 HD11 LEU 39 1HD1 LEU 39 4.100 -11.628 0.958 313 HD12 LEU 39 2HD1 LEU 39 3.088 -10.362 0.253 314 HD13 LEU 39 3HD1 LEU 39 2.771 -12.074 -0.116 315 HD21 LEU 39 3HD2 LEU 39 3.708 -12.580 3.033 316 HD22 LEU 39 1HD2 LEU 39 2.636 -13.556 2.054 317 HD23 LEU 39 2HD2 LEU 39 2.028 -12.863 3.529 318 H ALA 40 H ALA 40 0.914 -8.604 4.957 319 HA ALA 40 HA ALA 40 2.601 -6.430 5.029 320 HB1 ALA 40 1HB ALA 40 0.912 -5.307 6.235 321 HB2 ALA 40 2HB ALA 40 0.310 -6.817 6.928 322 HB3 ALA 40 3HB ALA 40 0.062 -6.471 5.213 323 H LYS 41 H LYS 41 1.676 -8.643 7.610 324 HA LYS 41 HA LYS 41 3.382 -7.465 9.580 325 HB2 LYS 41 2HB LYS 41 2.193 -10.234 9.403 326 HB3 LYS 41 1HB LYS 41 3.127 -9.666 10.774 327 HG2 LYS 41 2HG LYS 41 1.580 -7.801 11.103 328 HG3 LYS 41 1HG LYS 41 0.561 -8.328 9.774 329 HD2 LYS 41 2HD LYS 41 1.212 -10.014 12.223 330 HD3 LYS 41 1HD LYS 41 -0.233 -9.043 12.084 331 HE2 LYS 41 2HE LYS 41 0.503 -11.539 10.580 332 HE3 LYS 41 1HE LYS 41 -0.990 -11.128 11.386 333 HZ1 LYS 41 3HZ LYS 41 -0.064 -9.945 8.776 334 HZ2 LYS 41 1HZ LYS 41 -1.427 -9.433 9.640 335 HZ3 LYS 41 2HZ LYS 41 -1.356 -10.989 9.067 336 H GLU 42 H GLU 42 3.813 -10.095 7.263 337 HA GLU 42 HA GLU 42 6.328 -10.940 8.272 338 HB2 GLU 42 2HB GLU 42 4.927 -11.338 5.632 339 HB3 GLU 42 1HB GLU 42 6.456 -12.064 5.931 340 HG2 GLU 42 2HG GLU 42 5.537 -13.202 7.952 341 HG3 GLU 42 1HG GLU 42 3.968 -12.470 7.621 342 H LEU 43 H LEU 43 5.581 -9.159 5.322 343 HA LEU 43 HA LEU 43 8.303 -8.719 4.585 344 HB2 LEU 43 2HB LEU 43 5.647 -7.813 3.642 345 HB3 LEU 43 1HB LEU 43 7.099 -7.097 2.977 346 HG LEU 43 HG LEU 43 6.929 -10.093 3.164 347 HD11 LEU 43 1HD1 LEU 43 5.236 -8.309 1.544 348 HD12 LEU 43 2HD1 LEU 43 5.072 -10.016 1.937 349 HD13 LEU 43 3HD1 LEU 43 6.109 -9.533 0.594 350 HD21 LEU 43 3HD2 LEU 43 8.188 -9.530 0.881 351 HD22 LEU 43 1HD2 LEU 43 9.015 -9.394 2.439 352 HD23 LEU 43 2HD2 LEU 43 8.373 -7.953 1.665 353 H SER 44 H SER 44 5.754 -6.590 5.589 354 HA SER 44 HA SER 44 7.006 -4.340 4.972 355 HB2 SER 44 2HB SER 44 5.075 -4.407 7.254 356 HB3 SER 44 1HB SER 44 5.367 -3.183 5.977 357 HG SER 44 HG SER 44 4.025 -5.574 6.008 358 H ILE 45 H ILE 45 8.303 -2.842 5.858 359 HA ILE 45 HA ILE 45 9.583 -3.429 8.431 360 HB ILE 45 HB ILE 45 11.114 -1.576 7.869 361 HG12 ILE 45 2HG1 ILE 45 9.624 -1.431 5.222 362 HG13 ILE 45 1HG1 ILE 45 9.435 -0.247 6.519 363 HG21 ILE 45 1HG2 ILE 45 10.842 -3.428 5.487 364 HG22 ILE 45 2HG2 ILE 45 11.506 -3.941 7.045 365 HG23 ILE 45 3HG2 ILE 45 12.307 -2.688 6.118 366 HD11 ILE 45 3HD1 ILE 45 12.013 -0.918 5.068 367 HD12 ILE 45 1HD1 ILE 45 11.865 0.231 6.396 368 HD13 ILE 45 2HD1 ILE 45 11.057 0.545 4.870 369 H ASP 46 H ASP 46 6.904 -1.991 7.313 370 HA ASP 46 HA ASP 46 6.760 0.162 9.289 371 HB2 ASP 46 2HB ASP 46 5.815 0.574 7.059 372 HB3 ASP 46 1HB ASP 46 4.736 -0.798 7.236 373 H GLY 47 H GLY 47 6.695 -0.898 11.248 374 HA2 GLY 47 2HA GLY 47 5.331 -3.281 11.813 375 HA3 GLY 47 1HA GLY 47 5.862 -2.104 13.011 376 H GLY 48 H GLY 48 4.380 0.117 12.128 377 HA2 GLY 48 2HA GLY 48 1.942 -0.270 13.434 378 HA3 GLY 48 1HA GLY 48 2.298 1.071 12.342 379 H SER 49 H SER 49 2.776 -0.269 10.015 380 HA SER 49 HA SER 49 0.160 -0.921 9.088 381 HB2 SER 49 2HB SER 49 2.889 -1.242 7.864 382 HB3 SER 49 1HB SER 49 1.439 -1.760 7.041 383 HG SER 49 HG SER 49 2.270 0.822 7.830 384 H ALA 50 H ALA 50 2.853 -2.802 10.324 385 HA ALA 50 HA ALA 50 1.940 -5.357 9.495 386 HB1 ALA 50 1HB ALA 50 4.254 -4.891 10.377 387 HB2 ALA 50 2HB ALA 50 3.456 -6.251 11.169 388 HB3 ALA 50 3HB ALA 50 3.555 -4.716 11.986 389 H LYS 51 H LYS 51 1.382 -3.343 12.285 390 HA LYS 51 HA LYS 51 -0.337 -5.207 13.660 391 HB2 LYS 51 2HB LYS 51 -0.034 -2.211 13.973 392 HB3 LYS 51 1HB LYS 51 -0.921 -3.260 15.065 393 HG2 LYS 51 2HG LYS 51 2.050 -3.533 14.457 394 HG3 LYS 51 1HG LYS 51 1.373 -2.762 15.890 395 HD2 LYS 51 2HD LYS 51 0.399 -4.864 16.662 396 HD3 LYS 51 1HD LYS 51 0.790 -5.664 15.162 397 HE2 LYS 51 2HE LYS 51 2.383 -6.210 16.976 398 HE3 LYS 51 1HE LYS 51 3.156 -5.516 15.564 399 HZ1 LYS 51 3HZ LYS 51 3.758 -4.621 17.877 400 HZ2 LYS 51 1HZ LYS 51 2.305 -3.780 17.812 401 HZ3 LYS 51 2HZ LYS 51 3.528 -3.511 16.642 402 H ARG 52 H ARG 52 -0.718 -3.330 10.918 403 HA ARG 52 HA ARG 52 -3.666 -3.416 11.157 404 HB2 ARG 52 2HB ARG 52 -1.942 -1.573 9.484 405 HB3 ARG 52 1HB ARG 52 -3.696 -1.610 9.460 406 HG2 ARG 52 2HG ARG 52 -2.065 -1.088 11.973 407 HG3 ARG 52 1HG ARG 52 -2.735 0.173 10.944 408 HD2 ARG 52 2HD ARG 52 -4.964 -0.472 11.377 409 HD3 ARG 52 1HD ARG 52 -4.559 -1.981 12.131 410 HE ARG 52 HE ARG 52 -4.269 0.707 13.277 411 HH11 ARG 52 1HH2 ARG 52 -3.848 -2.785 13.559 412 HH12 ARG 52 2HH2 ARG 52 -3.828 -2.754 15.260 413 HH21 ARG 52 1HH1 ARG 52 -4.211 0.689 15.603 414 HH22 ARG 52 2HH1 ARG 52 -4.027 -0.795 16.423 415 H ASP 53 H ASP 53 -1.375 -5.271 10.056 416 HA ASP 53 HA ASP 53 -1.126 -6.746 8.329 417 HB2 ASP 53 2HB ASP 53 -4.080 -6.262 8.221 418 HB3 ASP 53 1HB ASP 53 -3.384 -7.281 7.049 419 H GLY 54 H GLY 54 -0.785 -3.893 7.975 420 HA2 GLY 54 2HA GLY 54 -0.370 -2.356 6.310 421 HA3 GLY 54 1HA GLY 54 -0.422 -3.691 5.169 422 H SER 55 H SER 55 -3.281 -3.760 6.881 423 HA SER 55 HA SER 55 -4.748 -2.832 4.611 424 HB2 SER 55 2HB SER 55 -5.949 -3.530 7.275 425 HB3 SER 55 1HB SER 55 -6.640 -3.692 5.674 426 HG SER 55 HG SER 55 -4.230 -5.082 6.207 427 H LEU 56 H LEU 56 -4.158 -0.679 4.490 428 HA LEU 56 HA LEU 56 -4.383 1.227 6.544 429 HB2 LEU 56 2HB LEU 56 -4.514 1.511 3.539 430 HB3 LEU 56 1HB LEU 56 -4.394 2.856 4.651 431 HG LEU 56 HG LEU 56 -2.391 0.576 4.659 432 HD11 LEU 56 1HD1 LEU 56 -1.692 1.377 2.750 433 HD12 LEU 56 2HD1 LEU 56 -1.078 2.769 3.635 434 HD13 LEU 56 3HD1 LEU 56 -2.650 2.840 2.826 435 HD21 LEU 56 3HD2 LEU 56 -1.848 1.593 6.609 436 HD22 LEU 56 1HD2 LEU 56 -2.832 3.016 6.273 437 HD23 LEU 56 2HD2 LEU 56 -1.201 2.890 5.618 438 H GLY 57 H GLY 57 -6.623 0.124 4.073 439 HA2 GLY 57 2HA GLY 57 -8.983 0.067 4.274 440 HA3 GLY 57 1HA GLY 57 -8.879 1.176 5.640 441 H TYR 58 H TYR 58 -10.387 2.628 4.792 442 HA TYR 58 HA TYR 58 -9.955 3.820 2.168 443 HB2 TYR 58 2HB TYR 58 -11.828 5.334 3.768 444 HB3 TYR 58 1HB TYR 58 -12.137 4.448 2.299 445 HD1 TYR 58 1HD TYR 58 -11.587 3.925 5.986 446 HD2 TYR 58 2HD TYR 58 -13.568 2.566 2.417 447 HE1 TYR 58 1HE TYR 58 -12.869 2.304 7.316 448 HE2 TYR 58 2HE TYR 58 -14.852 0.933 3.751 449 HH TYR 58 HH TYR 58 -15.474 1.068 6.630 450 H PHE 59 H PHE 59 -8.881 5.703 1.822 451 HA PHE 59 HA PHE 59 -8.748 7.650 3.980 452 HB2 PHE 59 2HB PHE 59 -6.348 8.073 3.726 453 HB3 PHE 59 1HB PHE 59 -6.612 6.432 4.276 454 HD1 PHE 59 1HD PHE 59 -5.656 8.544 1.396 455 HD2 PHE 59 2HD PHE 59 -6.144 4.520 2.835 456 HE1 PHE 59 1HE PHE 59 -4.397 7.700 -0.542 457 HE2 PHE 59 2HE PHE 59 -4.891 3.673 0.888 458 HZ PHE 59 HZ PHE 59 -4.006 5.270 -0.814 459 H GLY 60 H GLY 60 -8.580 9.749 3.282 460 HA2 GLY 60 2HA GLY 60 -9.278 10.089 0.489 461 HA3 GLY 60 1HA GLY 60 -9.504 11.276 1.743 462 H ARG 61 H ARG 61 -8.479 12.627 -0.051 463 HA ARG 61 HA ARG 61 -5.720 12.372 -0.706 464 HB2 ARG 61 2HB ARG 61 -7.582 14.770 -0.779 465 HB3 ARG 61 1HB ARG 61 -6.004 14.657 -1.546 466 HG2 ARG 61 2HG ARG 61 -6.768 12.865 -3.016 467 HG3 ARG 61 1HG ARG 61 -8.312 12.778 -2.185 468 HD2 ARG 61 2HD ARG 61 -8.659 14.082 -4.185 469 HD3 ARG 61 1HD ARG 61 -8.785 15.132 -2.821 470 HE ARG 61 HE ARG 61 -6.554 15.977 -3.285 471 HH11 ARG 61 1HH2 ARG 61 -8.081 14.037 -5.800 472 HH12 ARG 61 2HH2 ARG 61 -7.111 14.647 -7.054 473 HH21 ARG 61 1HH1 ARG 61 -5.226 16.781 -5.038 474 HH22 ARG 61 2HH1 ARG 61 -5.480 16.208 -6.621 475 H GLY 62 H GLY 62 -3.981 13.264 0.350 476 HA2 GLY 62 2HA GLY 62 -2.916 14.837 1.639 477 HA3 GLY 62 1HA GLY 62 -4.412 15.267 2.447 478 H LYS 63 H LYS 63 -4.983 12.322 2.841 479 HA LYS 63 HA LYS 63 -3.837 12.099 5.434 480 HB2 LYS 63 2HB LYS 63 -5.367 10.107 3.756 481 HB3 LYS 63 1HB LYS 63 -4.780 9.727 5.368 482 HG2 LYS 63 2HG LYS 63 -6.621 12.054 4.696 483 HG3 LYS 63 1HG LYS 63 -7.123 10.511 5.387 484 HD2 LYS 63 2HD LYS 63 -5.371 11.002 7.274 485 HD3 LYS 63 1HD LYS 63 -5.387 12.646 6.662 486 HE2 LYS 63 2HE LYS 63 -6.983 11.870 8.615 487 HE3 LYS 63 1HE LYS 63 -7.516 13.073 7.460 488 HZ1 LYS 63 3HZ LYS 63 -8.853 11.524 6.367 489 HZ2 LYS 63 1HZ LYS 63 -9.016 11.006 7.961 490 HZ3 LYS 63 2HZ LYS 63 -7.983 10.190 6.934 491 H MET 64 H MET 64 -2.960 10.730 2.340 492 HA MET 64 HA MET 64 -0.725 9.327 3.650 493 HB2 MET 64 2HB MET 64 -1.903 8.850 0.918 494 HB3 MET 64 1HB MET 64 -0.681 7.873 1.730 495 HG2 MET 64 2HG MET 64 -3.510 8.319 2.729 496 HG3 MET 64 1HG MET 64 -2.919 6.853 1.959 497 HE1 MET 64 3HE MET 64 -3.561 5.353 3.595 498 HE2 MET 64 1HE MET 64 -2.480 4.864 4.916 499 HE3 MET 64 2HE MET 64 -1.907 4.908 3.247 500 H VAL 65 H VAL 65 1.320 9.275 2.500 501 HA VAL 65 HA VAL 65 2.068 11.864 1.728 502 HB VAL 65 HB VAL 65 4.263 10.930 1.182 503 HG11 VAL 65 1HG1 VAL 65 3.215 9.438 3.597 504 HG12 VAL 65 2HG1 VAL 65 3.434 11.185 3.603 505 HG13 VAL 65 3HG1 VAL 65 4.816 10.123 3.345 506 HG21 VAL 65 3HG2 VAL 65 2.827 8.273 1.457 507 HG22 VAL 65 1HG2 VAL 65 4.581 8.440 1.443 508 HG23 VAL 65 2HG2 VAL 65 3.673 8.893 0.014 509 H LYS 66 H LYS 66 2.231 12.803 -0.171 510 HA LYS 66 HA LYS 66 0.422 12.219 -2.096 511 HB2 LYS 66 2HB LYS 66 2.985 13.694 -2.681 512 HB3 LYS 66 1HB LYS 66 1.457 13.874 -3.517 513 HG2 LYS 66 2HG LYS 66 1.484 14.334 -0.516 514 HG3 LYS 66 1HG LYS 66 2.138 15.553 -1.560 515 HD2 LYS 66 2HD LYS 66 -0.144 16.132 -1.266 516 HD3 LYS 66 1HD LYS 66 -0.026 15.517 -2.894 517 HE2 LYS 66 2HE LYS 66 -1.990 14.694 -1.448 518 HE3 LYS 66 1HE LYS 66 -1.101 13.470 -2.322 519 HZ1 LYS 66 3HZ LYS 66 -1.583 12.979 0.096 520 HZ2 LYS 66 1HZ LYS 66 -0.480 14.153 0.547 521 HZ3 LYS 66 2HZ LYS 66 0.001 12.777 -0.303 522 HA PRO 67 HA PRO 67 3.745 9.780 -4.783 523 HB2 PRO 67 2HB PRO 67 4.855 8.381 -2.393 524 HB3 PRO 67 1HB PRO 67 5.635 8.819 -3.911 525 HG2 PRO 67 2HG PRO 67 6.026 10.172 -1.636 526 HG3 PRO 67 1HG PRO 67 6.164 10.919 -3.217 527 HD2 PRO 67 2HD PRO 67 4.131 11.424 -1.167 528 HD3 PRO 67 1HD PRO 67 4.459 12.294 -2.673 529 H PHE 68 H PHE 68 2.619 8.705 -1.624 530 HA PHE 68 HA PHE 68 1.830 6.084 -2.315 531 HB2 PHE 68 2HB PHE 68 2.213 6.935 0.016 532 HB3 PHE 68 1HB PHE 68 0.670 7.792 -0.094 533 HD1 PHE 68 2HD PHE 68 2.350 4.532 0.093 534 HD2 PHE 68 1HD PHE 68 -1.459 6.531 -0.116 535 HE1 PHE 68 2HE PHE 68 1.224 2.453 0.730 536 HE2 PHE 68 1HE PHE 68 -2.572 4.414 0.540 537 HZ PHE 68 HZ PHE 68 -1.250 2.389 0.950 538 H GLU 69 H GLU 69 0.034 9.110 -2.052 539 HA GLU 69 HA GLU 69 -2.505 8.049 -2.779 540 HB2 GLU 69 2HB GLU 69 -1.414 10.862 -3.137 541 HB3 GLU 69 1HB GLU 69 -3.081 10.384 -3.372 542 HG2 GLU 69 2HG GLU 69 -3.237 9.660 -1.018 543 HG3 GLU 69 1HG GLU 69 -1.546 10.113 -0.772 544 H ASP 70 H ASP 70 0.149 9.472 -4.590 545 HA ASP 70 HA ASP 70 -1.028 9.684 -7.098 546 HB2 ASP 70 2HB ASP 70 1.261 10.527 -6.404 547 HB3 ASP 70 1HB ASP 70 1.842 8.883 -6.606 548 H ALA 71 H ALA 71 0.730 6.989 -5.675 549 HA ALA 71 HA ALA 71 0.206 5.184 -7.864 550 HB1 ALA 71 1HB ALA 71 1.280 4.888 -5.084 551 HB2 ALA 71 2HB ALA 71 2.020 4.452 -6.618 552 HB3 ALA 71 3HB ALA 71 0.729 3.452 -5.944 553 H ALA 72 H ALA 72 -1.327 5.906 -4.770 554 HA ALA 72 HA ALA 72 -3.063 3.744 -4.636 555 HB1 ALA 72 1HB ALA 72 -2.523 5.500 -2.835 556 HB2 ALA 72 2HB ALA 72 -4.140 4.837 -2.895 557 HB3 ALA 72 3HB ALA 72 -3.831 6.443 -3.557 558 H PHE 73 H PHE 73 -3.703 6.944 -6.038 559 HA PHE 73 HA PHE 73 -6.404 6.364 -6.580 560 HB2 PHE 73 2HB PHE 73 -4.542 8.442 -7.686 561 HB3 PHE 73 1HB PHE 73 -6.150 8.268 -8.363 562 HD1 PHE 73 2HD PHE 73 -8.173 8.530 -6.911 563 HD2 PHE 73 1HD PHE 73 -4.219 9.378 -5.457 564 HE1 PHE 73 2HE PHE 73 -9.141 9.747 -4.986 565 HE2 PHE 73 1HE PHE 73 -5.175 10.597 -3.544 566 HZ PHE 73 HZ PHE 73 -7.652 10.788 -3.297 567 H ARG 74 H ARG 74 -3.565 5.885 -8.603 568 HA ARG 74 HA ARG 74 -4.964 5.099 -10.945 569 HB2 ARG 74 2HB ARG 74 -2.186 4.428 -9.966 570 HB3 ARG 74 1HB ARG 74 -2.814 3.919 -11.525 571 HG2 ARG 74 2HG ARG 74 -3.215 6.247 -12.192 572 HG3 ARG 74 1HG ARG 74 -2.683 6.805 -10.605 573 HD2 ARG 74 2HD ARG 74 -0.846 7.040 -12.192 574 HD3 ARG 74 1HD ARG 74 -0.445 5.817 -11.003 575 HE ARG 74 HE ARG 74 -1.686 4.677 -13.328 576 HH11 ARG 74 1HH2 ARG 74 1.277 5.986 -12.063 577 HH12 ARG 74 2HH2 ARG 74 2.309 5.143 -13.130 578 HH21 ARG 74 1HH1 ARG 74 -0.313 3.526 -14.817 579 HH22 ARG 74 2HH1 ARG 74 1.370 3.696 -14.705 580 H LEU 75 H LEU 75 -3.791 3.181 -8.182 581 HA LEU 75 HA LEU 75 -4.624 0.764 -9.484 582 HB2 LEU 75 2HB LEU 75 -3.034 -0.178 -8.243 583 HB3 LEU 75 1HB LEU 75 -2.678 1.377 -7.552 584 HG LEU 75 HG LEU 75 -4.576 -0.701 -6.462 585 HD11 LEU 75 1HD1 LEU 75 -3.020 -0.976 -4.737 586 HD12 LEU 75 2HD1 LEU 75 -2.197 0.542 -5.103 587 HD13 LEU 75 3HD1 LEU 75 -2.016 -0.840 -6.177 588 HD21 LEU 75 3HD2 LEU 75 -4.525 2.166 -6.110 589 HD22 LEU 75 1HD2 LEU 75 -4.188 1.361 -4.573 590 HD23 LEU 75 2HD2 LEU 75 -5.669 0.987 -5.457 591 H GLN 76 H GLN 76 -6.398 3.007 -8.026 592 HA GLN 76 HA GLN 76 -8.100 1.733 -6.216 593 HB2 GLN 76 2HB GLN 76 -8.602 3.866 -8.294 594 HB3 GLN 76 1HB GLN 76 -9.902 3.245 -7.290 595 HG2 GLN 76 2HG GLN 76 -7.429 3.973 -5.829 596 HG3 GLN 76 1HG GLN 76 -8.322 5.315 -6.538 597 HE21 GLN 76 1HE2 GLN 76 -9.860 6.140 -5.105 598 HE22 GLN 76 2HE2 GLN 76 -10.687 5.250 -3.932 599 H VAL 77 H VAL 77 -7.681 1.222 -9.576 600 HA VAL 77 HA VAL 77 -10.115 0.035 -10.268 601 HB VAL 77 HB VAL 77 -8.480 0.712 -11.930 602 HG11 VAL 77 1HG1 VAL 77 -6.499 -1.120 -12.107 603 HG12 VAL 77 2HG1 VAL 77 -6.687 -1.078 -10.355 604 HG13 VAL 77 3HG1 VAL 77 -6.330 0.398 -11.241 605 HG21 VAL 77 3HG2 VAL 77 -8.314 -2.194 -12.429 606 HG22 VAL 77 1HG2 VAL 77 -9.115 -0.942 -13.367 607 HG23 VAL 77 2HG2 VAL 77 -9.925 -1.661 -11.986 608 H GLY 78 H GLY 78 -7.424 -1.141 -8.418 609 HA2 GLY 78 2HA GLY 78 -8.035 -3.034 -6.834 610 HA3 GLY 78 1HA GLY 78 -8.677 -3.802 -8.276 611 H GLU 79 H GLU 79 -5.631 -2.002 -7.870 612 HA GLU 79 HA GLU 79 -4.287 -4.376 -8.962 613 HB2 GLU 79 2HB GLU 79 -4.008 -1.439 -9.420 614 HB3 GLU 79 1HB GLU 79 -2.693 -2.552 -9.773 615 HG2 GLU 79 2HG GLU 79 -5.498 -2.968 -10.794 616 HG3 GLU 79 1HG GLU 79 -4.310 -2.048 -11.704 617 H VAL 80 H VAL 80 -1.934 -4.313 -8.615 618 HA VAL 80 HA VAL 80 -1.274 -3.641 -5.823 619 HB VAL 80 HB VAL 80 0.397 -5.320 -7.711 620 HG11 VAL 80 1HG1 VAL 80 0.277 -5.386 -4.692 621 HG12 VAL 80 2HG1 VAL 80 1.348 -4.303 -5.572 622 HG13 VAL 80 3HG1 VAL 80 1.505 -6.052 -5.762 623 HG21 VAL 80 3HG2 VAL 80 -1.687 -6.515 -7.579 624 HG22 VAL 80 1HG2 VAL 80 -1.821 -6.216 -5.839 625 HG23 VAL 80 2HG2 VAL 80 -0.562 -7.283 -6.462 626 H SER 81 H SER 81 -0.241 -1.718 -5.707 627 HA SER 81 HA SER 81 0.491 -0.271 -7.984 628 HB2 SER 81 2HB SER 81 1.477 1.326 -6.465 629 HB3 SER 81 1HB SER 81 -0.046 0.770 -5.806 630 HG SER 81 HG SER 81 2.613 0.202 -5.088 631 H GLU 82 H GLU 82 2.505 0.320 -8.777 632 HA GLU 82 HA GLU 82 4.600 -1.608 -8.689 633 HB2 GLU 82 2HB GLU 82 5.859 0.553 -9.641 634 HB3 GLU 82 1HB GLU 82 4.747 -0.366 -10.647 635 HG2 GLU 82 2HG GLU 82 3.048 1.234 -10.457 636 HG3 GLU 82 1HG GLU 82 3.720 1.881 -8.945 637 HA PRO 83 HA PRO 83 6.715 -0.317 -5.017 638 HB2 PRO 83 2HB PRO 83 9.023 0.866 -6.474 639 HB3 PRO 83 1HB PRO 83 8.992 -0.417 -5.244 640 HG2 PRO 83 2HG PRO 83 9.465 -1.041 -7.755 641 HG3 PRO 83 1HG PRO 83 8.402 -2.070 -6.779 642 HD2 PRO 83 2HD PRO 83 7.613 0.004 -8.818 643 HD3 PRO 83 1HD PRO 83 6.950 -1.632 -8.584 644 H VAL 84 H VAL 84 6.222 1.481 -3.824 645 HA VAL 84 HA VAL 84 6.166 4.120 -5.153 646 HB VAL 84 HB VAL 84 4.876 3.288 -2.555 647 HG11 VAL 84 1HG1 VAL 84 3.847 5.317 -2.517 648 HG12 VAL 84 2HG1 VAL 84 3.833 5.497 -4.266 649 HG13 VAL 84 3HG1 VAL 84 5.313 5.813 -3.359 650 HG21 VAL 84 3HG2 VAL 84 2.745 3.349 -4.065 651 HG22 VAL 84 1HG2 VAL 84 3.767 1.918 -4.118 652 HG23 VAL 84 2HG2 VAL 84 3.875 3.112 -5.400 653 H LYS 85 H LYS 85 8.028 5.213 -4.750 654 HA LYS 85 HA LYS 85 9.549 4.556 -2.367 655 HB2 LYS 85 2HB LYS 85 10.615 4.825 -4.610 656 HB3 LYS 85 1HB LYS 85 10.224 6.536 -4.545 657 HG2 LYS 85 2HG LYS 85 11.574 6.824 -2.522 658 HG3 LYS 85 1HG LYS 85 11.893 5.089 -2.452 659 HD2 LYS 85 2HD LYS 85 13.002 5.226 -4.679 660 HD3 LYS 85 1HD LYS 85 12.740 6.963 -4.666 661 HE2 LYS 85 2HE LYS 85 14.160 7.234 -2.704 662 HE3 LYS 85 1HE LYS 85 14.298 5.488 -2.519 663 HZ1 LYS 85 3HZ LYS 85 15.225 6.890 -4.984 664 HZ2 LYS 85 1HZ LYS 85 15.484 5.306 -4.497 665 HZ3 LYS 85 2HZ LYS 85 16.232 6.543 -3.679 666 H SER 86 H SER 86 9.770 5.788 -0.570 667 HA SER 86 HA SER 86 8.848 8.559 -0.593 668 HB2 SER 86 2HB SER 86 7.295 8.267 1.138 669 HB3 SER 86 1HB SER 86 6.972 6.882 0.124 670 HG SER 86 HG SER 86 7.708 5.625 1.644 671 H GLU 87 H GLU 87 9.315 9.464 1.685 672 HA GLU 87 HA GLU 87 12.054 9.190 2.296 673 HB2 GLU 87 2HB GLU 87 11.196 10.250 4.551 674 HB3 GLU 87 1HB GLU 87 11.140 11.196 3.077 675 HG2 GLU 87 2HG GLU 87 8.739 9.493 3.689 676 HG3 GLU 87 1HG GLU 87 8.997 10.922 4.653 677 H PHE 88 H PHE 88 9.175 7.539 3.345 678 HA PHE 88 HA PHE 88 10.224 6.240 5.653 679 HB2 PHE 88 2HB PHE 88 7.914 5.544 3.827 680 HB3 PHE 88 1HB PHE 88 8.293 4.681 5.294 681 HD1 PHE 88 2HD PHE 88 8.476 6.056 7.510 682 HD2 PHE 88 1HD PHE 88 6.621 7.535 3.920 683 HE1 PHE 88 2HE PHE 88 7.270 7.776 8.830 684 HE2 PHE 88 1HE PHE 88 5.431 9.250 5.250 685 HZ PHE 88 HZ PHE 88 5.752 9.370 7.699 686 H GLY 89 H GLY 89 10.056 5.406 2.227 687 HA2 GLY 89 2HA GLY 89 12.195 3.852 1.796 688 HA3 GLY 89 1HA GLY 89 11.160 2.745 2.682 689 H TYR 90 H TYR 90 10.705 1.343 0.958 690 HA TYR 90 HA TYR 90 9.244 2.542 -1.303 691 HB2 TYR 90 2HB TYR 90 10.694 -0.093 -1.012 692 HB3 TYR 90 1HB TYR 90 9.664 0.284 -2.376 693 HD1 TYR 90 2HD TYR 90 10.281 2.085 -3.984 694 HD2 TYR 90 1HD TYR 90 12.881 1.004 -0.731 695 HE1 TYR 90 2HE TYR 90 12.139 3.293 -5.069 696 HE2 TYR 90 1HE TYR 90 14.737 2.213 -1.817 697 HH TYR 90 HH TYR 90 15.224 2.849 -4.461 698 H HIS 91 H HIS 91 7.098 2.139 -1.451 699 HA HIS 91 HA HIS 91 5.938 0.104 0.371 700 HB2 HIS 91 2HB HIS 91 4.331 2.303 -0.929 701 HB3 HIS 91 1HB HIS 91 3.932 1.307 0.438 702 HD1 HIS 91 1HD HIS 91 3.960 2.629 2.504 703 HD2 HIS 91 2HD HIS 91 6.961 3.873 -0.100 704 HE1 HIS 91 1HE HIS 91 5.149 4.529 3.654 705 H VAL 92 H VAL 92 4.404 -1.284 -0.411 706 HA VAL 92 HA VAL 92 3.799 -1.188 -3.294 707 HB VAL 92 HB VAL 92 4.210 -3.622 -1.536 708 HG11 VAL 92 1HG1 VAL 92 3.581 -4.808 -3.786 709 HG12 VAL 92 2HG1 VAL 92 2.767 -3.292 -4.161 710 HG13 VAL 92 3HG1 VAL 92 2.284 -4.226 -2.742 711 HG21 VAL 92 3HG2 VAL 92 5.648 -4.167 -3.674 712 HG22 VAL 92 1HG2 VAL 92 6.283 -3.055 -2.460 713 HG23 VAL 92 2HG2 VAL 92 5.562 -2.427 -3.942 714 H ILE 93 H ILE 93 1.649 -0.873 -3.653 715 HA ILE 93 HA ILE 93 -0.080 -1.062 -1.295 716 HB ILE 93 HB ILE 93 -0.427 0.539 -3.840 717 HG12 ILE 93 2HG1 ILE 93 0.333 1.468 -1.047 718 HG13 ILE 93 1HG1 ILE 93 1.488 1.281 -2.372 719 HG21 ILE 93 1HG2 ILE 93 -2.207 1.678 -2.556 720 HG22 ILE 93 2HG2 ILE 93 -1.913 0.589 -1.203 721 HG23 ILE 93 3HG2 ILE 93 -2.558 -0.044 -2.717 722 HD11 ILE 93 3HD1 ILE 93 -0.054 2.846 -3.720 723 HD12 ILE 93 1HD1 ILE 93 0.905 3.574 -2.427 724 HD13 ILE 93 2HD1 ILE 93 -0.805 3.231 -2.169 725 H LYS 94 H LYS 94 -1.637 -2.500 -1.291 726 HA LYS 94 HA LYS 94 -2.545 -3.706 -3.823 727 HB2 LYS 94 2HB LYS 94 -1.797 -5.474 -2.330 728 HB3 LYS 94 1HB LYS 94 -2.661 -4.745 -0.981 729 HG2 LYS 94 2HG LYS 94 -3.885 -6.689 -1.833 730 HG3 LYS 94 1HG LYS 94 -4.827 -5.228 -2.075 731 HD2 LYS 94 2HD LYS 94 -3.954 -5.175 -4.494 732 HD3 LYS 94 1HD LYS 94 -3.170 -6.696 -4.153 733 HE2 LYS 94 2HE LYS 94 -5.630 -6.612 -5.221 734 HE3 LYS 94 1HE LYS 94 -5.113 -7.907 -4.151 735 HZ1 LYS 94 3HZ LYS 94 -6.522 -5.462 -3.090 736 HZ2 LYS 94 1HZ LYS 94 -6.281 -6.981 -2.362 737 HZ3 LYS 94 2HZ LYS 94 -7.284 -6.829 -3.687 738 H ARG 95 H ARG 95 -4.652 -3.330 -4.379 739 HA ARG 95 HA ARG 95 -5.978 -1.268 -2.898 740 HB2 ARG 95 2HB ARG 95 -6.100 -1.574 -5.420 741 HB3 ARG 95 1HB ARG 95 -7.215 -2.914 -5.089 742 HG2 ARG 95 2HG ARG 95 -8.114 -0.727 -3.480 743 HG3 ARG 95 1HG ARG 95 -7.737 -0.053 -5.049 744 HD2 ARG 95 2HD ARG 95 -9.468 -1.129 -6.088 745 HD3 ARG 95 1HD ARG 95 -9.235 -2.596 -5.180 746 HE ARG 95 HE ARG 95 -10.394 -1.512 -3.268 747 HH11 ARG 95 1HH2 ARG 95 -10.769 0.002 -6.456 748 HH12 ARG 95 2HH2 ARG 95 -12.299 0.625 -6.048 749 HH21 ARG 95 1HH1 ARG 95 -12.446 -0.663 -2.818 750 HH22 ARG 95 2HH1 ARG 95 -13.242 0.263 -4.013 751 H LEU 96 H LEU 96 -7.798 -1.416 -1.665 752 HA LEU 96 HA LEU 96 -8.633 -4.103 -0.836 753 HB2 LEU 96 2HB LEU 96 -7.622 -2.736 0.956 754 HB3 LEU 96 1HB LEU 96 -8.748 -1.432 0.593 755 HG LEU 96 HG LEU 96 -10.633 -2.981 1.115 756 HD11 LEU 96 1HD1 LEU 96 -8.314 -4.782 1.916 757 HD12 LEU 96 2HD1 LEU 96 -9.632 -5.157 0.808 758 HD13 LEU 96 3HD1 LEU 96 -9.946 -5.004 2.531 759 HD21 LEU 96 3HD2 LEU 96 -10.109 -1.517 2.880 760 HD22 LEU 96 1HD2 LEU 96 -8.534 -2.258 3.161 761 HD23 LEU 96 2HD2 LEU 96 -10.005 -3.090 3.657 762 H GLY 97 H GLY 97 -10.732 -4.604 -1.215 763 HA2 GLY 97 2HA GLY 97 -12.158 -3.185 -3.126 764 HA3 GLY 97 1HA GLY 97 -12.790 -4.496 -2.159 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -18.343 4.829 1.282 2 HA2 GLY 1 2HA GLY 1 -20.076 2.684 0.669 3 HA3 GLY 1 1HA GLY 1 -18.783 2.099 1.701 4 HA PRO 2 HA PRO 2 -21.209 3.381 5.215 5 HB2 PRO 2 2HB PRO 2 -18.576 4.111 6.416 6 HB3 PRO 2 1HB PRO 2 -19.857 3.089 7.069 7 HG2 PRO 2 2HG PRO 2 -17.686 2.000 6.138 8 HG3 PRO 2 1HG PRO 2 -19.261 1.271 5.773 9 HD2 PRO 2 2HD PRO 2 -17.492 2.863 3.969 10 HD3 PRO 2 1HD PRO 2 -18.539 1.468 3.603 11 H MET 3 H MET 3 -22.109 5.292 5.897 12 HA MET 3 HA MET 3 -21.708 7.685 4.573 13 HB2 MET 3 2HB MET 3 -22.780 7.213 7.366 14 HB3 MET 3 1HB MET 3 -22.768 8.803 6.614 15 HG2 MET 3 2HG MET 3 -24.133 7.954 4.742 16 HG3 MET 3 1HG MET 3 -24.138 6.341 5.441 17 HE1 MET 3 3HE MET 3 -24.670 9.979 7.379 18 HE2 MET 3 1HE MET 3 -26.294 10.117 6.678 19 HE3 MET 3 2HE MET 3 -24.910 9.921 5.635 20 H GLY 4 H GLY 4 -20.165 9.095 4.521 21 HA2 GLY 4 2HA GLY 4 -18.545 10.557 5.474 22 HA3 GLY 4 1HA GLY 4 -18.331 9.408 6.796 23 H SER 5 H SER 5 -18.483 7.291 4.461 24 HA SER 5 HA SER 5 -15.662 7.604 3.650 25 HB2 SER 5 2HB SER 5 -16.632 4.879 3.480 26 HB3 SER 5 1HB SER 5 -15.247 5.524 4.348 27 HG SER 5 HG SER 5 -17.963 5.574 5.142 28 H MET 6 H MET 6 -15.728 8.360 1.628 29 HA MET 6 HA MET 6 -17.628 7.149 -0.291 30 HB2 MET 6 2HB MET 6 -16.185 9.830 -0.388 31 HB3 MET 6 1HB MET 6 -17.230 9.178 -1.642 32 HG2 MET 6 2HG MET 6 -19.129 9.084 -0.043 33 HG3 MET 6 1HG MET 6 -18.099 9.796 1.190 34 HE1 MET 6 3HE MET 6 -16.449 11.720 0.391 35 HE2 MET 6 1HE MET 6 -17.689 12.559 1.340 36 HE3 MET 6 2HE MET 6 -17.145 13.212 -0.189 37 H ALA 7 H ALA 7 -16.809 6.663 -2.395 38 HA ALA 7 HA ALA 7 -14.311 5.357 -2.437 39 HB1 ALA 7 1HB ALA 7 -14.709 5.724 -5.081 40 HB2 ALA 7 2HB ALA 7 -16.350 6.039 -4.498 41 HB3 ALA 7 3HB ALA 7 -15.564 4.507 -4.142 42 H ASP 8 H ASP 8 -14.923 8.583 -2.336 43 HA ASP 8 HA ASP 8 -12.821 9.688 -3.936 44 HB2 ASP 8 2HB ASP 8 -14.681 11.033 -2.896 45 HB3 ASP 8 1HB ASP 8 -13.933 10.744 -1.333 46 H LYS 9 H LYS 9 -13.118 8.255 -0.812 47 HA LYS 9 HA LYS 9 -10.335 8.649 -0.057 48 HB2 LYS 9 2HB LYS 9 -12.614 7.066 1.134 49 HB3 LYS 9 1HB LYS 9 -10.988 7.099 1.789 50 HG2 LYS 9 2HG LYS 9 -11.101 9.516 2.106 51 HG3 LYS 9 1HG LYS 9 -12.726 9.555 1.397 52 HD2 LYS 9 2HD LYS 9 -13.602 8.166 3.205 53 HD3 LYS 9 1HD LYS 9 -11.990 7.957 3.872 54 HE2 LYS 9 2HE LYS 9 -13.464 9.673 4.983 55 HE3 LYS 9 1HE LYS 9 -11.836 10.188 4.551 56 HZ1 LYS 9 3HZ LYS 9 -12.672 11.717 3.108 57 HZ2 LYS 9 1HZ LYS 9 -14.092 11.485 3.932 58 HZ3 LYS 9 2HZ LYS 9 -13.838 10.689 2.447 59 H ILE 10 H ILE 10 -8.970 6.809 0.211 60 HA ILE 10 HA ILE 10 -9.592 4.664 -1.708 61 HB ILE 10 HB ILE 10 -6.981 5.366 -0.434 62 HG12 ILE 10 2HG1 ILE 10 -7.648 7.227 -1.819 63 HG13 ILE 10 1HG1 ILE 10 -6.376 6.364 -2.658 64 HG21 ILE 10 1HG2 ILE 10 -6.991 3.938 -3.051 65 HG22 ILE 10 2HG2 ILE 10 -7.720 3.028 -1.726 66 HG23 ILE 10 3HG2 ILE 10 -6.074 3.636 -1.591 67 HD11 ILE 10 3HD1 ILE 10 -7.795 6.353 -4.417 68 HD12 ILE 10 1HD1 ILE 10 -9.212 6.641 -3.407 69 HD13 ILE 10 2HD1 ILE 10 -8.567 5.006 -3.564 70 H LYS 11 H LYS 11 -10.072 2.778 -0.889 71 HA LYS 11 HA LYS 11 -9.441 2.184 1.904 72 HB2 LYS 11 2HB LYS 11 -11.189 0.761 -0.122 73 HB3 LYS 11 1HB LYS 11 -10.821 0.140 1.485 74 HG2 LYS 11 2HG LYS 11 -11.870 2.127 2.508 75 HG3 LYS 11 1HG LYS 11 -12.190 2.793 0.909 76 HD2 LYS 11 2HD LYS 11 -14.231 1.727 1.688 77 HD3 LYS 11 1HD LYS 11 -13.571 0.770 0.376 78 HE2 LYS 11 2HE LYS 11 -12.649 -0.873 1.880 79 HE3 LYS 11 1HE LYS 11 -12.968 0.114 3.296 80 HZ1 LYS 11 3HZ LYS 11 -15.441 -0.121 2.235 81 HZ2 LYS 11 1HZ LYS 11 -14.747 -1.164 3.379 82 HZ3 LYS 11 2HZ LYS 11 -14.696 -1.579 1.746 83 H CYS 12 H CYS 12 -7.366 1.456 1.972 84 HA CYS 12 HA CYS 12 -6.574 -0.610 0.041 85 HB2 CYS 12 2HB CYS 12 -5.277 0.710 -1.194 86 HB3 CYS 12 1HB CYS 12 -5.884 2.098 -0.293 87 HG CYS 12 HG CYS 12 -3.366 0.512 0.699 88 H SER 13 H SER 13 -4.382 -1.333 0.362 89 HA SER 13 HA SER 13 -3.583 -1.321 3.150 90 HB2 SER 13 2HB SER 13 -3.702 -3.772 1.376 91 HB3 SER 13 1HB SER 13 -3.115 -3.724 3.031 92 HG SER 13 HG SER 13 -5.495 -4.255 2.346 93 H HIS 14 H HIS 14 -1.324 -1.480 3.420 94 HA HIS 14 HA HIS 14 0.246 -1.323 0.945 95 HB2 HIS 14 2HB HIS 14 0.857 0.780 1.253 96 HB3 HIS 14 1HB HIS 14 -0.406 0.923 2.469 97 HD2 HIS 14 2HD HIS 14 0.991 -0.488 5.035 98 HE1 HIS 14 1HE HIS 14 4.386 1.860 4.232 99 HE2 HIS 14 2HE HIS 14 3.245 0.370 5.968 100 H ILE 15 H ILE 15 2.409 -1.800 1.115 101 HA ILE 15 HA ILE 15 3.329 -3.099 3.630 102 HB ILE 15 HB ILE 15 3.747 -4.082 0.780 103 HG12 ILE 15 2HG1 ILE 15 2.231 -5.416 3.053 104 HG13 ILE 15 1HG1 ILE 15 1.441 -4.455 1.830 105 HG21 ILE 15 1HG2 ILE 15 4.403 -5.992 2.836 106 HG22 ILE 15 2HG2 ILE 15 5.275 -4.518 3.180 107 HG23 ILE 15 3HG2 ILE 15 5.463 -5.302 1.615 108 HD11 ILE 15 3HD1 ILE 15 3.302 -6.575 0.845 109 HD12 ILE 15 1HD1 ILE 15 1.765 -6.001 0.188 110 HD13 ILE 15 2HD1 ILE 15 1.765 -7.093 1.563 111 H LEU 16 H LEU 16 5.148 -2.206 4.300 112 HA LEU 16 HA LEU 16 6.602 -0.385 2.499 113 HB2 LEU 16 2HB LEU 16 5.783 0.441 4.735 114 HB3 LEU 16 1HB LEU 16 6.851 -0.724 5.504 115 HG LEU 16 HG LEU 16 8.807 0.347 4.308 116 HD11 LEU 16 1HD1 LEU 16 7.573 2.886 3.742 117 HD12 LEU 16 2HD1 LEU 16 6.732 1.643 2.831 118 HD13 LEU 16 3HD1 LEU 16 8.483 1.819 2.676 119 HD21 LEU 16 3HD2 LEU 16 9.015 2.126 5.863 120 HD22 LEU 16 1HD2 LEU 16 7.933 1.003 6.668 121 HD23 LEU 16 2HD2 LEU 16 7.286 2.437 5.891 122 H VAL 17 H VAL 17 8.464 -1.046 1.618 123 HA VAL 17 HA VAL 17 9.885 -3.297 2.900 124 HB VAL 17 HB VAL 17 10.459 -4.076 0.657 125 HG11 VAL 17 1HG1 VAL 17 8.305 -4.751 1.915 126 HG12 VAL 17 2HG1 VAL 17 8.360 -5.081 0.180 127 HG13 VAL 17 3HG1 VAL 17 7.467 -3.689 0.785 128 HG21 VAL 17 3HG2 VAL 17 8.491 -1.996 -0.353 129 HG22 VAL 17 1HG2 VAL 17 9.472 -3.110 -1.312 130 HG23 VAL 17 2HG2 VAL 17 10.248 -1.797 -0.438 131 H LYS 18 H LYS 18 12.097 -3.441 2.553 132 HA LYS 18 HA LYS 18 13.511 -0.979 2.874 133 HB2 LYS 18 2HB LYS 18 14.526 -3.761 2.284 134 HB3 LYS 18 1HB LYS 18 15.493 -2.403 2.799 135 HG2 LYS 18 2HG LYS 18 14.219 -2.237 4.896 136 HG3 LYS 18 1HG LYS 18 13.216 -3.608 4.411 137 HD2 LYS 18 2HD LYS 18 15.957 -4.454 4.121 138 HD3 LYS 18 1HD LYS 18 15.819 -3.625 5.656 139 HE2 LYS 18 2HE LYS 18 15.344 -6.022 5.934 140 HE3 LYS 18 1HE LYS 18 13.923 -5.054 6.321 141 HZ1 LYS 18 3HZ LYS 18 14.067 -5.920 3.496 142 HZ2 LYS 18 1HZ LYS 18 12.794 -5.962 4.603 143 HZ3 LYS 18 2HZ LYS 18 13.973 -7.140 4.620 144 H LYS 19 H LYS 19 13.164 -3.340 0.312 145 HA LYS 19 HA LYS 19 14.785 -1.644 -1.494 146 HB2 LYS 19 2HB LYS 19 14.519 -4.641 -1.338 147 HB3 LYS 19 1HB LYS 19 15.448 -3.768 -2.539 148 HG2 LYS 19 2HG LYS 19 16.864 -2.787 -0.836 149 HG3 LYS 19 1HG LYS 19 15.936 -3.574 0.444 150 HD2 LYS 19 2HD LYS 19 16.496 -5.790 -0.515 151 HD3 LYS 19 1HD LYS 19 17.520 -5.034 -1.725 152 HE2 LYS 19 2HE LYS 19 17.887 -4.911 1.296 153 HE3 LYS 19 1HE LYS 19 18.873 -5.823 0.164 154 HZ1 LYS 19 3HZ LYS 19 19.635 -3.786 -0.826 155 HZ2 LYS 19 1HZ LYS 19 19.808 -3.645 0.839 156 HZ3 LYS 19 2HZ LYS 19 18.532 -2.862 0.092 157 H GLN 20 H GLN 20 14.241 -1.526 -3.621 158 HA GLN 20 HA GLN 20 11.542 -1.687 -4.428 159 HB2 GLN 20 2HB GLN 20 12.444 -1.425 -6.724 160 HB3 GLN 20 1HB GLN 20 13.180 -0.278 -5.610 161 HG2 GLN 20 2HG GLN 20 15.008 -2.161 -5.308 162 HG3 GLN 20 1HG GLN 20 14.390 -2.738 -6.843 163 HE21 GLN 20 1HE2 GLN 20 14.104 -0.737 -8.502 164 HE22 GLN 20 2HE2 GLN 20 15.445 0.312 -8.533 165 H GLY 21 H GLY 21 14.276 -3.906 -4.609 166 HA2 GLY 21 2HA GLY 21 13.054 -5.931 -6.150 167 HA3 GLY 21 1HA GLY 21 14.426 -6.193 -5.068 168 H GLU 22 H GLU 22 12.981 -5.221 -2.710 169 HA GLU 22 HA GLU 22 11.631 -7.610 -1.955 170 HB2 GLU 22 2HB GLU 22 11.710 -4.856 -0.709 171 HB3 GLU 22 1HB GLU 22 10.844 -6.205 -0.010 172 HG2 GLU 22 2HG GLU 22 12.890 -7.498 0.186 173 HG3 GLU 22 1HG GLU 22 13.836 -6.242 -0.598 174 H ALA 23 H ALA 23 10.648 -4.433 -3.060 175 HA ALA 23 HA ALA 23 7.870 -4.800 -2.786 176 HB1 ALA 23 1HB ALA 23 8.390 -2.566 -3.160 177 HB2 ALA 23 2HB ALA 23 7.772 -3.073 -4.720 178 HB3 ALA 23 3HB ALA 23 9.517 -2.940 -4.479 179 H LEU 24 H LEU 24 10.050 -5.398 -5.519 180 HA LEU 24 HA LEU 24 8.067 -6.423 -7.317 181 HB2 LEU 24 2HB LEU 24 11.067 -6.749 -7.137 182 HB3 LEU 24 1HB LEU 24 10.144 -7.750 -8.234 183 HG LEU 24 HG LEU 24 11.105 -5.581 -9.207 184 HD11 LEU 24 1HD1 LEU 24 9.228 -5.239 -10.659 185 HD12 LEU 24 2HD1 LEU 24 8.109 -5.897 -9.481 186 HD13 LEU 24 3HD1 LEU 24 9.294 -6.953 -10.270 187 HD21 LEU 24 3HD2 LEU 24 8.801 -4.412 -7.602 188 HD22 LEU 24 1HD2 LEU 24 9.692 -3.564 -8.863 189 HD23 LEU 24 2HD2 LEU 24 10.524 -4.056 -7.383 190 H ALA 25 H ALA 25 10.113 -7.907 -4.880 191 HA ALA 25 HA ALA 25 9.435 -10.562 -5.368 192 HB1 ALA 25 1HB ALA 25 10.321 -11.082 -3.257 193 HB2 ALA 25 2HB ALA 25 9.918 -9.508 -2.588 194 HB3 ALA 25 3HB ALA 25 11.227 -9.660 -3.764 195 H VAL 26 H VAL 26 7.931 -8.228 -3.138 196 HA VAL 26 HA VAL 26 5.941 -10.059 -2.315 197 HB VAL 26 HB VAL 26 4.746 -8.122 -1.339 198 HG11 VAL 26 1HG1 VAL 26 6.300 -7.821 0.340 199 HG12 VAL 26 2HG1 VAL 26 7.643 -7.615 -0.782 200 HG13 VAL 26 3HG1 VAL 26 7.019 -9.228 -0.444 201 HG21 VAL 26 3HG2 VAL 26 5.742 -5.886 -1.535 202 HG22 VAL 26 1HG2 VAL 26 5.314 -6.460 -3.156 203 HG23 VAL 26 2HG2 VAL 26 6.981 -6.543 -2.582 204 H GLN 27 H GLN 27 6.012 -7.720 -4.947 205 HA GLN 27 HA GLN 27 3.260 -7.829 -5.600 206 HB2 GLN 27 2HB GLN 27 5.687 -7.475 -7.383 207 HB3 GLN 27 1HB GLN 27 4.043 -7.353 -7.956 208 HG2 GLN 27 2HG GLN 27 3.593 -5.491 -6.472 209 HG3 GLN 27 1HG GLN 27 5.173 -5.630 -5.723 210 HE21 GLN 27 1HE2 GLN 27 3.490 -4.104 -8.271 211 HE22 GLN 27 2HE2 GLN 27 4.849 -3.608 -9.145 212 H GLU 28 H GLU 28 5.982 -9.785 -6.791 213 HA GLU 28 HA GLU 28 4.310 -11.479 -8.360 214 HB2 GLU 28 2HB GLU 28 7.144 -11.872 -7.396 215 HB3 GLU 28 1HB GLU 28 6.302 -12.920 -8.544 216 HG2 GLU 28 2HG GLU 28 6.741 -9.939 -8.916 217 HG3 GLU 28 1HG GLU 28 7.662 -11.204 -9.708 218 H ARG 29 H ARG 29 5.573 -11.713 -5.096 219 HA ARG 29 HA ARG 29 4.635 -14.339 -4.607 220 HB2 ARG 29 2HB ARG 29 6.223 -13.198 -3.092 221 HB3 ARG 29 1HB ARG 29 4.935 -12.068 -2.626 222 HG2 ARG 29 2HG ARG 29 3.563 -13.963 -1.826 223 HG3 ARG 29 1HG ARG 29 4.842 -15.078 -2.285 224 HD2 ARG 29 2HD ARG 29 6.359 -14.051 -0.693 225 HD3 ARG 29 1HD ARG 29 5.168 -12.825 -0.299 226 HE ARG 29 HE ARG 29 4.209 -15.527 0.116 227 HH11 ARG 29 1HH2 ARG 29 6.069 -12.875 1.462 228 HH12 ARG 29 2HH2 ARG 29 5.714 -13.371 3.089 229 HH21 ARG 29 1HH1 ARG 29 3.818 -16.103 2.221 230 HH22 ARG 29 2HH1 ARG 29 4.490 -15.132 3.525 231 H LEU 30 H LEU 30 3.155 -11.144 -4.286 232 HA LEU 30 HA LEU 30 0.724 -11.972 -3.115 233 HB2 LEU 30 2HB LEU 30 1.713 -9.558 -3.655 234 HB3 LEU 30 1HB LEU 30 0.838 -9.769 -5.170 235 HG LEU 30 HG LEU 30 -0.691 -8.647 -3.756 236 HD11 LEU 30 1HD1 LEU 30 -1.561 -10.778 -4.851 237 HD12 LEU 30 2HD1 LEU 30 -2.494 -10.139 -3.498 238 HD13 LEU 30 3HD1 LEU 30 -1.441 -11.528 -3.254 239 HD21 LEU 30 3HD2 LEU 30 0.312 -10.520 -1.602 240 HD22 LEU 30 1HD2 LEU 30 -1.208 -9.652 -1.448 241 HD23 LEU 30 2HD2 LEU 30 0.314 -8.761 -1.609 242 H LYS 31 H LYS 31 1.846 -11.648 -6.421 243 HA LYS 31 HA LYS 31 -0.515 -12.569 -7.680 244 HB2 LYS 31 2HB LYS 31 2.279 -12.045 -8.531 245 HB3 LYS 31 1HB LYS 31 1.399 -13.235 -9.474 246 HG2 LYS 31 2HG LYS 31 0.640 -11.322 -10.611 247 HG3 LYS 31 1HG LYS 31 -0.549 -11.462 -9.383 248 HD2 LYS 31 2HD LYS 31 0.007 -9.249 -9.105 249 HD3 LYS 31 1HD LYS 31 1.030 -9.982 -7.899 250 HE2 LYS 31 2HE LYS 31 1.825 -8.316 -10.053 251 HE3 LYS 31 1HE LYS 31 2.892 -9.150 -8.948 252 HZ1 LYS 31 3HZ LYS 31 2.124 -9.828 -11.667 253 HZ2 LYS 31 1HZ LYS 31 2.337 -11.144 -10.642 254 HZ3 LYS 31 2HZ LYS 31 3.594 -10.069 -10.885 255 H ALA 32 H ALA 32 1.747 -14.184 -5.744 256 HA ALA 32 HA ALA 32 1.477 -16.786 -6.936 257 HB1 ALA 32 1HB ALA 32 2.193 -16.384 -4.035 258 HB2 ALA 32 2HB ALA 32 3.346 -15.959 -5.300 259 HB3 ALA 32 3HB ALA 32 2.754 -17.604 -5.177 260 H GLY 33 H GLY 33 -0.555 -14.714 -5.320 261 HA2 GLY 33 2HA GLY 33 -2.816 -15.123 -4.931 262 HA3 GLY 33 1HA GLY 33 -2.483 -16.853 -4.792 263 H GLU 34 H GLU 34 -0.206 -14.992 -3.134 264 HA GLU 34 HA GLU 34 -1.111 -15.972 -0.594 265 HB2 GLU 34 2HB GLU 34 1.198 -14.157 -1.315 266 HB3 GLU 34 1HB GLU 34 0.877 -14.742 0.309 267 HG2 GLU 34 2HG GLU 34 0.779 -16.990 -1.472 268 HG3 GLU 34 1HG GLU 34 2.238 -16.076 -1.822 269 H LYS 35 H LYS 35 -1.360 -14.587 1.292 270 HA LYS 35 HA LYS 35 -3.344 -12.601 0.773 271 HB2 LYS 35 2HB LYS 35 -2.111 -13.810 3.189 272 HB3 LYS 35 1HB LYS 35 -2.964 -12.277 3.361 273 HG2 LYS 35 2HG LYS 35 -4.949 -13.171 2.403 274 HG3 LYS 35 1HG LYS 35 -4.162 -14.706 2.025 275 HD2 LYS 35 2HD LYS 35 -3.743 -15.119 4.419 276 HD3 LYS 35 1HD LYS 35 -4.510 -13.596 4.858 277 HE2 LYS 35 2HE LYS 35 -5.894 -15.898 3.410 278 HE3 LYS 35 1HE LYS 35 -5.981 -15.598 5.132 279 HZ1 LYS 35 3HZ LYS 35 -7.176 -13.990 2.955 280 HZ2 LYS 35 1HZ LYS 35 -6.736 -13.220 4.383 281 HZ3 LYS 35 2HZ LYS 35 -7.817 -14.477 4.421 282 H PHE 36 H PHE 36 -3.238 -10.487 0.832 283 HA PHE 36 HA PHE 36 -0.798 -9.080 0.541 284 HB2 PHE 36 2HB PHE 36 -3.162 -8.343 -0.137 285 HB3 PHE 36 1HB PHE 36 -3.408 -7.924 1.537 286 HD1 PHE 36 1HD PHE 36 -1.474 -7.050 -1.487 287 HD2 PHE 36 2HD PHE 36 -2.192 -6.082 2.648 288 HE1 PHE 36 1HE PHE 36 -0.250 -4.910 -1.769 289 HE2 PHE 36 2HE PHE 36 -0.964 -3.947 2.350 290 HZ PHE 36 HZ PHE 36 -0.003 -3.364 0.145 291 H GLY 37 H GLY 37 -2.987 -9.582 3.256 292 HA2 GLY 37 2HA GLY 37 -1.573 -8.053 5.133 293 HA3 GLY 37 1HA GLY 37 -2.702 -9.378 5.519 294 H LYS 38 H LYS 38 -1.296 -11.417 4.147 295 HA LYS 38 HA LYS 38 0.497 -12.328 6.144 296 HB2 LYS 38 2HB LYS 38 -0.723 -13.773 4.555 297 HB3 LYS 38 1HB LYS 38 0.303 -13.183 3.239 298 HG2 LYS 38 2HG LYS 38 2.281 -14.091 4.439 299 HG3 LYS 38 1HG LYS 38 1.234 -14.685 5.726 300 HD2 LYS 38 2HD LYS 38 -0.018 -16.046 4.064 301 HD3 LYS 38 1HD LYS 38 1.085 -15.480 2.801 302 HE2 LYS 38 2HE LYS 38 2.983 -16.534 4.014 303 HE3 LYS 38 1HE LYS 38 1.869 -17.082 5.248 304 HZ1 LYS 38 3HZ LYS 38 1.591 -17.785 2.369 305 HZ2 LYS 38 1HZ LYS 38 0.715 -18.431 3.651 306 HZ3 LYS 38 2HZ LYS 38 2.350 -18.790 3.508 307 H LEU 39 H LEU 39 0.991 -10.883 2.972 308 HA LEU 39 HA LEU 39 3.819 -10.746 3.034 309 HB2 LEU 39 2HB LEU 39 1.663 -9.210 1.586 310 HB3 LEU 39 1HB LEU 39 3.341 -8.687 1.524 311 HG LEU 39 HG LEU 39 2.441 -10.260 -0.338 312 HD11 LEU 39 1HD1 LEU 39 4.595 -10.926 -0.795 313 HD12 LEU 39 2HD1 LEU 39 5.002 -11.203 0.914 314 HD13 LEU 39 3HD1 LEU 39 4.853 -9.562 0.296 315 HD21 LEU 39 3HD2 LEU 39 1.489 -11.968 1.200 316 HD22 LEU 39 1HD2 LEU 39 3.110 -12.329 1.812 317 HD23 LEU 39 2HD2 LEU 39 2.692 -12.644 0.125 318 H ALA 40 H ALA 40 1.203 -8.589 4.133 319 HA ALA 40 HA ALA 40 2.791 -6.444 4.684 320 HB1 ALA 40 1HB ALA 40 0.979 -5.633 6.129 321 HB2 ALA 40 2HB ALA 40 0.205 -7.218 5.990 322 HB3 ALA 40 3HB ALA 40 0.402 -6.200 4.555 323 H LYS 41 H LYS 41 1.571 -8.908 6.935 324 HA LYS 41 HA LYS 41 3.074 -7.878 9.135 325 HB2 LYS 41 2HB LYS 41 2.583 -10.147 10.204 326 HB3 LYS 41 1HB LYS 41 1.213 -9.117 9.841 327 HG2 LYS 41 2HG LYS 41 1.772 -10.768 7.520 328 HG3 LYS 41 1HG LYS 41 1.717 -11.795 8.935 329 HD2 LYS 41 2HD LYS 41 -0.417 -9.743 8.408 330 HD3 LYS 41 1HD LYS 41 -0.517 -11.369 7.755 331 HE2 LYS 41 2HE LYS 41 -0.582 -12.360 9.946 332 HE3 LYS 41 1HE LYS 41 -0.085 -10.864 10.722 333 HZ1 LYS 41 3HZ LYS 41 -2.196 -9.877 9.791 334 HZ2 LYS 41 1HZ LYS 41 -2.375 -10.983 11.051 335 HZ3 LYS 41 2HZ LYS 41 -2.709 -11.484 9.484 336 H GLU 42 H GLU 42 3.732 -10.245 6.664 337 HA GLU 42 HA GLU 42 6.034 -11.269 7.948 338 HB2 GLU 42 2HB GLU 42 4.970 -11.456 5.173 339 HB3 GLU 42 1HB GLU 42 6.531 -12.126 5.511 340 HG2 GLU 42 2HG GLU 42 5.495 -13.401 7.407 341 HG3 GLU 42 1HG GLU 42 3.914 -12.823 6.908 342 H LEU 43 H LEU 43 5.632 -8.701 5.516 343 HA LEU 43 HA LEU 43 8.563 -8.219 5.580 344 HB2 LEU 43 2HB LEU 43 6.398 -7.338 3.677 345 HB3 LEU 43 1HB LEU 43 8.009 -6.656 3.693 346 HG LEU 43 HG LEU 43 8.701 -9.254 3.645 347 HD11 LEU 43 1HD1 LEU 43 7.068 -10.313 1.990 348 HD12 LEU 43 2HD1 LEU 43 5.926 -9.054 2.472 349 HD13 LEU 43 3HD1 LEU 43 6.531 -10.204 3.669 350 HD21 LEU 43 3HD2 LEU 43 9.516 -7.751 2.033 351 HD22 LEU 43 1HD2 LEU 43 7.904 -7.336 1.491 352 HD23 LEU 43 2HD2 LEU 43 8.616 -8.918 1.067 353 H SER 44 H SER 44 5.733 -6.200 5.170 354 HA SER 44 HA SER 44 6.537 -3.841 5.268 355 HB2 SER 44 2HB SER 44 4.400 -4.267 7.304 356 HB3 SER 44 1HB SER 44 4.592 -3.049 6.025 357 HG SER 44 HG SER 44 3.835 -5.692 5.982 358 H ILE 45 H ILE 45 8.017 -2.729 6.168 359 HA ILE 45 HA ILE 45 8.901 -3.329 8.862 360 HB ILE 45 HB ILE 45 10.801 -1.891 8.328 361 HG12 ILE 45 2HG1 ILE 45 9.476 -1.529 5.603 362 HG13 ILE 45 1HG1 ILE 45 9.540 -0.292 6.858 363 HG21 ILE 45 1HG2 ILE 45 11.792 -3.344 6.668 364 HG22 ILE 45 2HG2 ILE 45 10.211 -3.721 5.980 365 HG23 ILE 45 3HG2 ILE 45 10.643 -4.329 7.581 366 HD11 ILE 45 3HD1 ILE 45 11.873 -1.542 5.417 367 HD12 ILE 45 1HD1 ILE 45 12.042 -0.495 6.827 368 HD13 ILE 45 2HD1 ILE 45 11.334 0.130 5.339 369 H ASP 46 H ASP 46 6.574 -1.362 7.598 370 HA ASP 46 HA ASP 46 7.098 1.009 9.155 371 HB2 ASP 46 2HB ASP 46 5.087 1.871 8.322 372 HB3 ASP 46 1HB ASP 46 5.709 0.906 6.989 373 H GLY 47 H GLY 47 5.043 1.735 10.504 374 HA2 GLY 47 2HA GLY 47 5.046 -0.005 12.816 375 HA3 GLY 47 1HA GLY 47 4.338 1.603 12.678 376 H GLY 48 H GLY 48 2.257 1.634 12.954 377 HA2 GLY 48 2HA GLY 48 0.677 -0.486 13.516 378 HA3 GLY 48 1HA GLY 48 0.038 1.051 12.944 379 H SER 49 H SER 49 0.981 1.018 10.274 380 HA SER 49 HA SER 49 -1.036 -0.513 9.126 381 HB2 SER 49 2HB SER 49 0.821 -0.073 7.101 382 HB3 SER 49 1HB SER 49 -0.555 0.942 7.517 383 HG SER 49 HG SER 49 2.096 1.002 8.476 384 H ALA 50 H ALA 50 2.333 -1.248 9.739 385 HA ALA 50 HA ALA 50 2.439 -3.656 8.227 386 HB1 ALA 50 1HB ALA 50 4.011 -2.747 10.647 387 HB2 ALA 50 2HB ALA 50 4.500 -2.635 8.965 388 HB3 ALA 50 3HB ALA 50 4.348 -4.222 9.739 389 H LYS 51 H LYS 51 1.439 -2.800 11.441 390 HA LYS 51 HA LYS 51 0.864 -5.555 12.154 391 HB2 LYS 51 2HB LYS 51 0.848 -2.958 13.611 392 HB3 LYS 51 1HB LYS 51 -0.198 -4.238 14.208 393 HG2 LYS 51 2HG LYS 51 1.554 -5.185 15.194 394 HG3 LYS 51 1HG LYS 51 2.219 -5.572 13.616 395 HD2 LYS 51 2HD LYS 51 3.050 -3.021 13.771 396 HD3 LYS 51 1HD LYS 51 2.934 -3.349 15.497 397 HE2 LYS 51 2HE LYS 51 4.581 -4.801 13.425 398 HE3 LYS 51 1HE LYS 51 5.139 -3.950 14.853 399 HZ1 LYS 51 3HZ LYS 51 4.537 -6.659 14.694 400 HZ2 LYS 51 1HZ LYS 51 3.266 -6.003 15.581 401 HZ3 LYS 51 2HZ LYS 51 4.838 -5.776 16.091 402 H ARG 52 H ARG 52 -0.660 -3.236 10.395 403 HA ARG 52 HA ARG 52 -3.387 -4.183 11.028 404 HB2 ARG 52 2HB ARG 52 -2.379 -1.966 9.259 405 HB3 ARG 52 1HB ARG 52 -4.054 -2.467 9.318 406 HG2 ARG 52 2HG ARG 52 -4.186 -1.945 11.709 407 HG3 ARG 52 1HG ARG 52 -2.494 -1.481 11.741 408 HD2 ARG 52 2HD ARG 52 -3.858 0.525 11.516 409 HD3 ARG 52 1HD ARG 52 -2.911 0.287 10.088 410 HE ARG 52 HE ARG 52 -4.888 -0.570 8.932 411 HH11 ARG 52 1HH2 ARG 52 -5.493 0.936 12.066 412 HH12 ARG 52 2HH2 ARG 52 -7.148 1.186 11.742 413 HH21 ARG 52 1HH1 ARG 52 -7.072 -0.247 8.558 414 HH22 ARG 52 2HH1 ARG 52 -8.067 0.489 9.733 415 H ASP 53 H ASP 53 -1.096 -5.623 9.613 416 HA ASP 53 HA ASP 53 -0.803 -7.016 7.808 417 HB2 ASP 53 2HB ASP 53 -3.796 -6.664 7.494 418 HB3 ASP 53 1HB ASP 53 -2.842 -7.756 6.573 419 H GLY 54 H GLY 54 -0.702 -4.060 7.670 420 HA2 GLY 54 2HA GLY 54 -0.185 -2.563 6.044 421 HA3 GLY 54 1HA GLY 54 -0.588 -3.758 4.832 422 H SER 55 H SER 55 -3.296 -3.983 6.541 423 HA SER 55 HA SER 55 -4.717 -2.412 4.667 424 HB2 SER 55 2HB SER 55 -6.779 -3.009 5.993 425 HB3 SER 55 1HB SER 55 -5.849 -4.346 5.362 426 HG SER 55 HG SER 55 -4.779 -4.190 7.612 427 H LEU 56 H LEU 56 -4.307 -0.399 4.650 428 HA LEU 56 HA LEU 56 -4.159 1.348 6.877 429 HB2 LEU 56 2HB LEU 56 -4.723 1.892 3.938 430 HB3 LEU 56 1HB LEU 56 -4.345 3.100 5.149 431 HG LEU 56 HG LEU 56 -2.509 0.779 4.530 432 HD11 LEU 56 1HD1 LEU 56 -2.840 3.422 3.236 433 HD12 LEU 56 2HD1 LEU 56 -2.259 1.894 2.612 434 HD13 LEU 56 3HD1 LEU 56 -1.183 2.902 3.585 435 HD21 LEU 56 3HD2 LEU 56 -2.168 1.703 6.746 436 HD22 LEU 56 1HD2 LEU 56 -2.176 3.356 6.108 437 HD23 LEU 56 2HD2 LEU 56 -0.867 2.248 5.692 438 H GLY 57 H GLY 57 -6.641 0.321 4.660 439 HA2 GLY 57 2HA GLY 57 -8.976 0.269 5.108 440 HA3 GLY 57 1HA GLY 57 -8.734 1.425 6.415 441 H TYR 58 H TYR 58 -10.199 2.976 5.631 442 HA TYR 58 HA TYR 58 -9.773 4.017 2.959 443 HB2 TYR 58 2HB TYR 58 -11.518 5.769 3.899 444 HB3 TYR 58 1HB TYR 58 -12.078 4.225 3.294 445 HD1 TYR 58 1HD TYR 58 -11.212 6.159 6.363 446 HD2 TYR 58 2HD TYR 58 -13.029 2.568 4.818 447 HE1 TYR 58 1HE TYR 58 -12.167 5.695 8.574 448 HE2 TYR 58 2HE TYR 58 -13.984 2.115 7.030 449 HH TYR 58 HH TYR 58 -14.636 3.621 9.102 450 H PHE 59 H PHE 59 -8.903 5.951 2.432 451 HA PHE 59 HA PHE 59 -8.365 7.900 4.497 452 HB2 PHE 59 2HB PHE 59 -5.996 8.221 3.916 453 HB3 PHE 59 1HB PHE 59 -6.248 6.583 4.491 454 HD1 PHE 59 2HD PHE 59 -5.665 8.698 1.504 455 HD2 PHE 59 1HD PHE 59 -5.977 4.666 2.988 456 HE1 PHE 59 2HE PHE 59 -4.691 7.836 -0.594 457 HE2 PHE 59 1HE PHE 59 -4.989 3.818 0.910 458 HZ PHE 59 HZ PHE 59 -4.343 5.407 -0.895 459 H GLY 60 H GLY 60 -8.052 10.028 3.633 460 HA2 GLY 60 2HA GLY 60 -9.045 10.245 0.887 461 HA3 GLY 60 1HA GLY 60 -9.167 11.501 2.097 462 H ARG 61 H ARG 61 -8.170 12.428 -0.100 463 HA ARG 61 HA ARG 61 -5.374 12.072 -0.442 464 HB2 ARG 61 2HB ARG 61 -7.337 14.145 -1.399 465 HB3 ARG 61 1HB ARG 61 -5.629 14.206 -1.827 466 HG2 ARG 61 2HG ARG 61 -5.796 11.911 -2.765 467 HG3 ARG 61 1HG ARG 61 -7.515 11.894 -2.346 468 HD2 ARG 61 2HD ARG 61 -6.272 13.942 -4.208 469 HD3 ARG 61 1HD ARG 61 -7.013 12.474 -4.773 470 HE ARG 61 HE ARG 61 -8.350 14.834 -3.850 471 HH11 ARG 61 1HH2 ARG 61 -8.544 11.350 -3.995 472 HH12 ARG 61 2HH2 ARG 61 -10.263 11.302 -4.003 473 HH21 ARG 61 1HH1 ARG 61 -10.691 14.754 -3.911 474 HH22 ARG 61 2HH1 ARG 61 -11.460 13.218 -3.952 475 H GLY 62 H GLY 62 -3.711 13.287 0.232 476 HA2 GLY 62 2HA GLY 62 -2.790 15.211 1.232 477 HA3 GLY 62 1HA GLY 62 -4.246 15.453 2.166 478 H LYS 63 H LYS 63 -4.553 12.681 2.940 479 HA LYS 63 HA LYS 63 -3.022 12.660 5.323 480 HB2 LYS 63 2HB LYS 63 -4.554 10.434 3.955 481 HB3 LYS 63 1HB LYS 63 -3.753 10.274 5.506 482 HG2 LYS 63 2HG LYS 63 -5.118 12.133 6.415 483 HG3 LYS 63 1HG LYS 63 -5.938 12.261 4.860 484 HD2 LYS 63 2HD LYS 63 -6.785 9.994 5.027 485 HD3 LYS 63 1HD LYS 63 -5.890 9.706 6.509 486 HE2 LYS 63 2HE LYS 63 -7.894 11.938 6.285 487 HE3 LYS 63 1HE LYS 63 -8.375 10.305 6.748 488 HZ1 LYS 63 3HZ LYS 63 -6.465 12.106 8.153 489 HZ2 LYS 63 1HZ LYS 63 -6.619 10.451 8.499 490 HZ3 LYS 63 2HZ LYS 63 -7.946 11.473 8.703 491 H MET 64 H MET 64 -2.682 11.003 2.260 492 HA MET 64 HA MET 64 -0.312 9.583 3.198 493 HB2 MET 64 2HB MET 64 -1.607 9.359 0.485 494 HB3 MET 64 1HB MET 64 -0.579 8.184 1.310 495 HG2 MET 64 2HG MET 64 -3.365 9.031 2.183 496 HG3 MET 64 1HG MET 64 -2.903 7.488 1.493 497 HE1 MET 64 3HE MET 64 -1.752 5.393 4.189 498 HE2 MET 64 1HE MET 64 -0.899 5.918 2.713 499 HE3 MET 64 2HE MET 64 -2.635 5.619 2.680 500 H VAL 65 H VAL 65 1.616 9.504 1.835 501 HA VAL 65 HA VAL 65 2.411 12.106 0.975 502 HB VAL 65 HB VAL 65 4.576 11.083 0.435 503 HG11 VAL 65 1HG1 VAL 65 5.187 10.342 2.605 504 HG12 VAL 65 2HG1 VAL 65 3.545 9.845 3.002 505 HG13 VAL 65 3HG1 VAL 65 3.938 11.557 2.828 506 HG21 VAL 65 3HG2 VAL 65 3.044 8.500 0.819 507 HG22 VAL 65 1HG2 VAL 65 4.798 8.585 0.973 508 HG23 VAL 65 2HG2 VAL 65 4.047 8.989 -0.562 509 H LYS 66 H LYS 66 2.804 12.813 -1.108 510 HA LYS 66 HA LYS 66 0.947 12.304 -2.989 511 HB2 LYS 66 2HB LYS 66 3.597 13.626 -3.103 512 HB3 LYS 66 1HB LYS 66 3.008 13.014 -4.639 513 HG2 LYS 66 2HG LYS 66 2.171 15.261 -4.401 514 HG3 LYS 66 1HG LYS 66 0.829 14.131 -4.245 515 HD2 LYS 66 2HD LYS 66 1.263 14.287 -1.673 516 HD3 LYS 66 1HD LYS 66 2.242 15.691 -2.068 517 HE2 LYS 66 2HE LYS 66 -0.200 16.171 -1.488 518 HE3 LYS 66 1HE LYS 66 0.391 16.860 -2.996 519 HZ1 LYS 66 3HZ LYS 66 -0.734 15.267 -4.251 520 HZ2 LYS 66 1HZ LYS 66 -1.815 15.673 -3.041 521 HZ3 LYS 66 2HZ LYS 66 -0.981 14.209 -2.932 522 HA PRO 67 HA PRO 67 3.861 9.193 -5.427 523 HB2 PRO 67 2HB PRO 67 5.064 7.949 -3.000 524 HB3 PRO 67 1HB PRO 67 5.749 8.195 -4.617 525 HG2 PRO 67 2HG PRO 67 6.493 9.717 -2.600 526 HG3 PRO 67 1HG PRO 67 6.304 10.399 -4.218 527 HD2 PRO 67 2HD PRO 67 4.551 10.759 -1.834 528 HD3 PRO 67 1HD PRO 67 4.848 11.842 -3.211 529 H PHE 68 H PHE 68 2.891 8.517 -2.121 530 HA PHE 68 HA PHE 68 1.844 5.914 -2.500 531 HB2 PHE 68 2HB PHE 68 2.458 6.910 -0.322 532 HB3 PHE 68 1HB PHE 68 1.002 7.915 -0.378 533 HD1 PHE 68 1HD PHE 68 -1.274 6.736 -0.508 534 HD2 PHE 68 2HD PHE 68 2.409 4.636 0.286 535 HE1 PHE 68 1HE PHE 68 -2.545 4.791 0.348 536 HE2 PHE 68 2HE PHE 68 1.136 2.728 1.130 537 HZ PHE 68 HZ PHE 68 -1.349 2.788 1.147 538 H GLU 69 H GLU 69 0.351 9.123 -2.456 539 HA GLU 69 HA GLU 69 -2.325 8.294 -2.890 540 HB2 GLU 69 2HB GLU 69 -0.877 10.820 -3.708 541 HB3 GLU 69 1HB GLU 69 -2.615 10.592 -3.834 542 HG2 GLU 69 2HG GLU 69 -2.752 10.271 -1.372 543 HG3 GLU 69 1HG GLU 69 -1.004 10.478 -1.270 544 H ASP 70 H ASP 70 0.325 9.156 -5.014 545 HA ASP 70 HA ASP 70 -0.982 9.124 -7.455 546 HB2 ASP 70 2HB ASP 70 1.218 9.964 -7.391 547 HB3 ASP 70 1HB ASP 70 1.869 8.483 -6.727 548 H ALA 71 H ALA 71 0.640 6.450 -5.817 549 HA ALA 71 HA ALA 71 -0.083 4.577 -7.865 550 HB1 ALA 71 1HB ALA 71 1.051 4.244 -5.087 551 HB2 ALA 71 2HB ALA 71 1.796 3.874 -6.656 552 HB3 ALA 71 3HB ALA 71 0.502 2.860 -6.024 553 H ALA 72 H ALA 72 -1.368 5.278 -4.631 554 HA ALA 72 HA ALA 72 -3.291 3.251 -4.557 555 HB1 ALA 72 1HB ALA 72 -2.622 4.607 -2.586 556 HB2 ALA 72 2HB ALA 72 -4.369 4.527 -2.811 557 HB3 ALA 72 3HB ALA 72 -3.493 5.981 -3.282 558 H PHE 73 H PHE 73 -3.669 6.642 -5.545 559 HA PHE 73 HA PHE 73 -6.406 6.315 -6.195 560 HB2 PHE 73 2HB PHE 73 -4.444 8.530 -6.797 561 HB3 PHE 73 1HB PHE 73 -6.081 8.539 -7.416 562 HD1 PHE 73 1HD PHE 73 -8.036 8.366 -5.835 563 HD2 PHE 73 2HD PHE 73 -4.019 9.033 -4.443 564 HE1 PHE 73 1HE PHE 73 -8.919 9.095 -3.650 565 HE2 PHE 73 2HE PHE 73 -4.895 9.750 -2.262 566 HZ PHE 73 HZ PHE 73 -7.343 9.797 -1.848 567 H ARG 74 H ARG 74 -3.522 6.096 -8.209 568 HA ARG 74 HA ARG 74 -4.963 5.905 -10.648 569 HB2 ARG 74 2HB ARG 74 -2.234 4.894 -9.863 570 HB3 ARG 74 1HB ARG 74 -2.909 4.667 -11.469 571 HG2 ARG 74 2HG ARG 74 -3.210 7.120 -11.694 572 HG3 ARG 74 1HG ARG 74 -2.472 7.342 -10.109 573 HD2 ARG 74 2HD ARG 74 -1.057 5.845 -12.321 574 HD3 ARG 74 1HD ARG 74 -0.906 7.574 -12.139 575 HE ARG 74 HE ARG 74 0.136 7.225 -10.028 576 HH11 ARG 74 1HH2 ARG 74 -0.577 4.248 -11.746 577 HH12 ARG 74 2HH2 ARG 74 0.764 3.405 -11.098 578 HH21 ARG 74 1HH1 ARG 74 1.916 6.086 -9.222 579 HH22 ARG 74 2HH1 ARG 74 2.215 4.435 -9.635 580 H LEU 75 H LEU 75 -4.029 3.509 -8.257 581 HA LEU 75 HA LEU 75 -5.210 1.425 -9.934 582 HB2 LEU 75 2HB LEU 75 -3.700 1.032 -7.350 583 HB3 LEU 75 1HB LEU 75 -4.199 -0.190 -8.482 584 HG LEU 75 HG LEU 75 -2.284 2.055 -9.184 585 HD11 LEU 75 1HD1 LEU 75 -1.162 -0.557 -9.454 586 HD12 LEU 75 2HD1 LEU 75 -1.819 -0.370 -7.823 587 HD13 LEU 75 3HD1 LEU 75 -0.677 0.823 -8.464 588 HD21 LEU 75 3HD2 LEU 75 -1.993 0.281 -11.177 589 HD22 LEU 75 1HD2 LEU 75 -3.207 1.542 -11.244 590 HD23 LEU 75 2HD2 LEU 75 -3.664 -0.095 -10.791 591 H GLN 76 H GLN 76 -6.915 3.349 -8.628 592 HA GLN 76 HA GLN 76 -8.266 2.248 -6.440 593 HB2 GLN 76 2HB GLN 76 -9.175 3.989 -8.746 594 HB3 GLN 76 1HB GLN 76 -10.335 3.351 -7.589 595 HG2 GLN 76 2HG GLN 76 -7.960 4.475 -6.296 596 HG3 GLN 76 1HG GLN 76 -8.846 5.652 -7.232 597 HE21 GLN 76 1HE2 GLN 76 -10.564 6.591 -6.106 598 HE22 GLN 76 2HE2 GLN 76 -11.386 5.909 -4.788 599 H VAL 77 H VAL 77 -7.911 1.200 -9.641 600 HA VAL 77 HA VAL 77 -10.192 -0.408 -9.973 601 HB VAL 77 HB VAL 77 -8.667 0.259 -11.803 602 HG11 VAL 77 1HG1 VAL 77 -6.783 -1.941 -11.056 603 HG12 VAL 77 2HG1 VAL 77 -6.562 -0.362 -10.298 604 HG13 VAL 77 3HG1 VAL 77 -6.495 -0.521 -12.048 605 HG21 VAL 77 3HG2 VAL 77 -8.989 -2.731 -11.448 606 HG22 VAL 77 1HG2 VAL 77 -8.686 -1.917 -12.977 607 HG23 VAL 77 2HG2 VAL 77 -10.196 -1.639 -12.108 608 H GLY 78 H GLY 78 -7.170 -0.938 -8.226 609 HA2 GLY 78 2HA GLY 78 -7.375 -2.521 -6.277 610 HA3 GLY 78 1HA GLY 78 -8.189 -3.602 -7.397 611 H GLU 79 H GLU 79 -5.834 -2.365 -9.217 612 HA GLU 79 HA GLU 79 -4.405 -4.818 -9.198 613 HB2 GLU 79 2HB GLU 79 -4.729 -3.069 -11.109 614 HB3 GLU 79 1HB GLU 79 -3.299 -2.313 -10.424 615 HG2 GLU 79 2HG GLU 79 -2.467 -3.819 -12.073 616 HG3 GLU 79 1HG GLU 79 -2.192 -4.574 -10.509 617 H VAL 80 H VAL 80 -2.166 -5.188 -8.653 618 HA VAL 80 HA VAL 80 -1.384 -3.929 -6.201 619 HB VAL 80 HB VAL 80 0.276 -5.704 -8.021 620 HG11 VAL 80 1HG1 VAL 80 0.617 -4.830 -5.136 621 HG12 VAL 80 2HG1 VAL 80 1.672 -4.482 -6.491 622 HG13 VAL 80 3HG1 VAL 80 1.539 -6.136 -5.881 623 HG21 VAL 80 3HG2 VAL 80 -0.312 -7.452 -6.295 624 HG22 VAL 80 1HG2 VAL 80 -1.656 -6.958 -7.328 625 HG23 VAL 80 2HG2 VAL 80 -1.535 -6.345 -5.667 626 H SER 81 H SER 81 -0.077 -2.216 -5.941 627 HA SER 81 HA SER 81 0.739 -0.697 -8.237 628 HB2 SER 81 2HB SER 81 1.736 0.762 -6.392 629 HB3 SER 81 1HB SER 81 -0.007 0.548 -6.375 630 HG SER 81 HG SER 81 0.169 -0.855 -4.738 631 H GLU 82 H GLU 82 2.826 -0.030 -8.688 632 HA GLU 82 HA GLU 82 4.864 -2.070 -8.412 633 HB2 GLU 82 2HB GLU 82 4.923 0.724 -9.541 634 HB3 GLU 82 1HB GLU 82 6.240 -0.434 -9.723 635 HG2 GLU 82 2HG GLU 82 5.092 -0.751 -11.733 636 HG3 GLU 82 1HG GLU 82 4.373 -1.992 -10.743 637 HA PRO 83 HA PRO 83 6.945 -0.612 -4.843 638 HB2 PRO 83 2HB PRO 83 9.208 0.467 -6.490 639 HB3 PRO 83 1HB PRO 83 9.251 -0.606 -5.088 640 HG2 PRO 83 2HG PRO 83 9.647 -1.511 -7.538 641 HG3 PRO 83 1HG PRO 83 8.799 -2.514 -6.355 642 HD2 PRO 83 2HD PRO 83 7.744 -1.101 -8.710 643 HD3 PRO 83 1HD PRO 83 7.095 -2.518 -7.856 644 H VAL 84 H VAL 84 6.378 1.286 -3.811 645 HA VAL 84 HA VAL 84 6.235 3.755 -5.402 646 HB VAL 84 HB VAL 84 4.999 3.056 -2.731 647 HG11 VAL 84 1HG1 VAL 84 4.579 5.247 -2.504 648 HG12 VAL 84 2HG1 VAL 84 3.672 5.231 -4.016 649 HG13 VAL 84 3HG1 VAL 84 5.392 5.604 -4.031 650 HG21 VAL 84 3HG2 VAL 84 4.051 1.789 -4.668 651 HG22 VAL 84 1HG2 VAL 84 3.704 3.333 -5.462 652 HG23 VAL 84 2HG2 VAL 84 2.889 2.897 -3.954 653 H LYS 85 H LYS 85 7.973 5.021 -5.177 654 HA LYS 85 HA LYS 85 9.638 4.767 -2.833 655 HB2 LYS 85 2HB LYS 85 10.606 5.091 -5.126 656 HB3 LYS 85 1HB LYS 85 9.913 6.713 -5.128 657 HG2 LYS 85 2HG LYS 85 11.187 7.320 -3.136 658 HG3 LYS 85 1HG LYS 85 11.857 5.688 -3.035 659 HD2 LYS 85 2HD LYS 85 12.877 5.975 -5.243 660 HD3 LYS 85 1HD LYS 85 12.258 7.625 -5.334 661 HE2 LYS 85 2HE LYS 85 14.527 7.791 -4.543 662 HE3 LYS 85 1HE LYS 85 13.471 8.117 -3.182 663 HZ1 LYS 85 3HZ LYS 85 13.987 6.153 -2.166 664 HZ2 LYS 85 1HZ LYS 85 15.414 6.407 -2.995 665 HZ3 LYS 85 2HZ LYS 85 14.285 5.320 -3.618 666 H SER 86 H SER 86 9.592 6.105 -1.097 667 HA SER 86 HA SER 86 8.088 8.621 -1.303 668 HB2 SER 86 2HB SER 86 6.840 8.105 0.609 669 HB3 SER 86 1HB SER 86 6.663 6.730 -0.450 670 HG SER 86 HG SER 86 7.848 5.528 0.867 671 H GLU 87 H GLU 87 8.372 9.807 0.790 672 HA GLU 87 HA GLU 87 11.099 10.156 1.466 673 HB2 GLU 87 2HB GLU 87 9.252 11.873 1.701 674 HB3 GLU 87 1HB GLU 87 8.658 10.960 3.077 675 HG2 GLU 87 2HG GLU 87 10.263 11.717 4.426 676 HG3 GLU 87 1HG GLU 87 11.523 11.449 3.253 677 H PHE 88 H PHE 88 8.382 8.385 2.710 678 HA PHE 88 HA PHE 88 9.471 7.412 5.140 679 HB2 PHE 88 2HB PHE 88 7.253 6.526 3.337 680 HB3 PHE 88 1HB PHE 88 7.661 5.620 4.775 681 HD1 PHE 88 2HD PHE 88 6.640 8.969 3.509 682 HD2 PHE 88 1HD PHE 88 7.028 6.452 6.980 683 HE1 PHE 88 2HE PHE 88 5.375 10.613 4.842 684 HE2 PHE 88 1HE PHE 88 5.749 8.113 8.308 685 HZ PHE 88 HZ PHE 88 4.931 10.192 7.246 686 H GLY 89 H GLY 89 9.340 6.107 1.843 687 HA2 GLY 89 2HA GLY 89 11.643 4.816 1.575 688 HA3 GLY 89 1HA GLY 89 10.795 3.691 2.642 689 H TYR 90 H TYR 90 10.508 2.011 1.160 690 HA TYR 90 HA TYR 90 9.100 2.682 -1.319 691 HB2 TYR 90 2HB TYR 90 10.861 0.404 -0.508 692 HB3 TYR 90 1HB TYR 90 9.858 0.272 -1.927 693 HD1 TYR 90 1HD TYR 90 12.740 1.998 -0.395 694 HD2 TYR 90 2HD TYR 90 10.212 1.784 -3.870 695 HE1 TYR 90 1HE TYR 90 14.355 3.363 -1.650 696 HE2 TYR 90 2HE TYR 90 11.827 3.141 -5.123 697 HH TYR 90 HH TYR 90 14.447 3.560 -4.876 698 H HIS 91 H HIS 91 7.039 2.085 -1.577 699 HA HIS 91 HA HIS 91 5.898 0.176 0.384 700 HB2 HIS 91 2HB HIS 91 4.265 2.268 -1.047 701 HB3 HIS 91 1HB HIS 91 3.856 1.315 0.377 702 HD1 HIS 91 1HD HIS 91 3.918 2.658 2.411 703 HD2 HIS 91 2HD HIS 91 6.802 3.925 -0.310 704 HE1 HIS 91 1HE HIS 91 5.072 4.654 3.472 705 H VAL 92 H VAL 92 4.289 -1.201 -0.314 706 HA VAL 92 HA VAL 92 3.715 -1.328 -3.192 707 HB VAL 92 HB VAL 92 4.074 -3.653 -1.271 708 HG11 VAL 92 1HG1 VAL 92 2.101 -4.183 -2.579 709 HG12 VAL 92 2HG1 VAL 92 3.447 -5.058 -3.298 710 HG13 VAL 92 3HG1 VAL 92 2.871 -3.581 -4.053 711 HG21 VAL 92 3HG2 VAL 92 6.188 -3.329 -2.150 712 HG22 VAL 92 1HG2 VAL 92 5.588 -2.543 -3.605 713 HG23 VAL 92 2HG2 VAL 92 5.529 -4.286 -3.464 714 H ILE 93 H ILE 93 1.565 -1.025 -3.605 715 HA ILE 93 HA ILE 93 -0.248 -1.067 -1.263 716 HB ILE 93 HB ILE 93 -0.281 0.745 -3.680 717 HG12 ILE 93 2HG1 ILE 93 0.270 1.436 -0.771 718 HG13 ILE 93 1HG1 ILE 93 1.559 1.151 -1.945 719 HG21 ILE 93 1HG2 ILE 93 -2.080 0.468 -1.281 720 HG22 ILE 93 2HG2 ILE 93 -2.517 0.484 -2.994 721 HG23 ILE 93 3HG2 ILE 93 -1.999 1.965 -2.201 722 HD11 ILE 93 3HD1 ILE 93 1.261 3.481 -2.025 723 HD12 ILE 93 1HD1 ILE 93 -0.494 3.350 -1.916 724 HD13 ILE 93 2HD1 ILE 93 0.332 2.897 -3.404 725 H LYS 94 H LYS 94 -2.122 -2.170 -1.436 726 HA LYS 94 HA LYS 94 -3.206 -2.641 -4.103 727 HB2 LYS 94 2HB LYS 94 -2.216 -4.824 -2.925 728 HB3 LYS 94 1HB LYS 94 -3.780 -4.807 -2.103 729 HG2 LYS 94 2HG LYS 94 -4.951 -4.756 -4.283 730 HG3 LYS 94 1HG LYS 94 -3.417 -4.652 -5.140 731 HD2 LYS 94 2HD LYS 94 -2.811 -6.902 -4.087 732 HD3 LYS 94 1HD LYS 94 -4.480 -6.988 -3.538 733 HE2 LYS 94 2HE LYS 94 -3.639 -6.659 -6.429 734 HE3 LYS 94 1HE LYS 94 -4.231 -8.165 -5.730 735 HZ1 LYS 94 3HZ LYS 94 -6.336 -6.829 -5.195 736 HZ2 LYS 94 1HZ LYS 94 -5.990 -7.180 -6.794 737 HZ3 LYS 94 2HZ LYS 94 -5.685 -5.647 -6.292 738 H ARG 95 H ARG 95 -5.473 -2.578 -4.205 739 HA ARG 95 HA ARG 95 -6.568 -0.828 -2.194 740 HB2 ARG 95 2HB ARG 95 -7.012 -0.651 -4.711 741 HB3 ARG 95 1HB ARG 95 -8.110 -2.013 -4.504 742 HG2 ARG 95 2HG ARG 95 -9.462 -0.734 -2.903 743 HG3 ARG 95 1HG ARG 95 -8.340 0.632 -3.017 744 HD2 ARG 95 2HD ARG 95 -8.765 0.637 -5.503 745 HD3 ARG 95 1HD ARG 95 -10.053 -0.511 -5.238 746 HE ARG 95 HE ARG 95 -10.060 2.349 -4.512 747 HH11 ARG 95 1HH2 ARG 95 -11.699 -0.752 -4.310 748 HH12 ARG 95 2HH2 ARG 95 -13.227 -0.032 -4.040 749 HH21 ARG 95 1HH1 ARG 95 -12.064 3.241 -4.158 750 HH22 ARG 95 2HH1 ARG 95 -13.453 2.238 -3.931 751 H LEU 96 H LEU 96 -8.219 -1.189 -0.791 752 HA LEU 96 HA LEU 96 -8.925 -3.992 -0.240 753 HB2 LEU 96 2HB LEU 96 -7.531 -2.967 1.515 754 HB3 LEU 96 1HB LEU 96 -8.622 -1.594 1.587 755 HG LEU 96 HG LEU 96 -10.481 -3.164 2.250 756 HD11 LEU 96 1HD1 LEU 96 -9.537 -5.363 3.249 757 HD12 LEU 96 2HD1 LEU 96 -8.191 -5.143 2.147 758 HD13 LEU 96 3HD1 LEU 96 -9.840 -5.291 1.526 759 HD21 LEU 96 3HD2 LEU 96 -9.605 -3.506 4.576 760 HD22 LEU 96 1HD2 LEU 96 -9.322 -1.882 3.956 761 HD23 LEU 96 2HD2 LEU 96 -8.002 -3.051 3.998 762 H GLY 97 H GLY 97 -11.067 -4.453 -0.216 763 HA2 GLY 97 2HA GLY 97 -12.883 -2.376 -1.117 764 HA3 GLY 97 1HA GLY 97 -13.202 -4.094 -1.036 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -21.326 -1.155 3.697 2 HA2 GLY 1 2HA GLY 1 -18.834 -0.607 4.811 3 HA3 GLY 1 1HA GLY 1 -19.047 0.462 3.422 4 HA PRO 2 HA PRO 2 -21.256 2.029 7.405 5 HB2 PRO 2 2HB PRO 2 -19.347 4.281 6.999 6 HB3 PRO 2 1HB PRO 2 -19.892 3.510 8.495 7 HG2 PRO 2 2HG PRO 2 -17.482 3.023 7.585 8 HG3 PRO 2 1HG PRO 2 -18.455 1.707 8.271 9 HD2 PRO 2 2HD PRO 2 -17.885 2.293 5.385 10 HD3 PRO 2 1HD PRO 2 -17.991 0.729 6.227 11 H MET 3 H MET 3 -22.985 3.444 7.145 12 HA MET 3 HA MET 3 -23.504 4.489 4.504 13 HB2 MET 3 2HB MET 3 -25.083 4.674 7.071 14 HB3 MET 3 1HB MET 3 -25.652 5.279 5.521 15 HG2 MET 3 2HG MET 3 -25.431 3.003 4.544 16 HG3 MET 3 1HG MET 3 -24.898 2.397 6.112 17 HE1 MET 3 3HE MET 3 -26.634 0.636 6.463 18 HE2 MET 3 1HE MET 3 -27.159 0.930 4.795 19 HE3 MET 3 2HE MET 3 -28.342 0.798 6.088 20 H GLY 4 H GLY 4 -23.893 6.676 3.962 21 HA2 GLY 4 2HA GLY 4 -23.637 8.986 4.129 22 HA3 GLY 4 1HA GLY 4 -23.243 8.788 5.827 23 H SER 5 H SER 5 -21.573 6.733 3.724 24 HA SER 5 HA SER 5 -19.137 8.377 3.985 25 HB2 SER 5 2HB SER 5 -19.049 5.444 3.475 26 HB3 SER 5 1HB SER 5 -17.900 6.464 4.307 27 HG SER 5 HG SER 5 -20.197 5.202 5.184 28 H MET 6 H MET 6 -18.517 9.237 2.136 29 HA MET 6 HA MET 6 -19.271 7.968 -0.409 30 HB2 MET 6 2HB MET 6 -18.611 10.748 0.450 31 HB3 MET 6 1HB MET 6 -18.078 10.283 -1.148 32 HG2 MET 6 2HG MET 6 -20.373 11.286 -1.138 33 HG3 MET 6 1HG MET 6 -20.333 9.665 -1.811 34 HE1 MET 6 3HE MET 6 -22.120 11.167 2.088 35 HE2 MET 6 1HE MET 6 -21.085 12.011 0.926 36 HE3 MET 6 2HE MET 6 -20.385 10.933 2.124 37 H ALA 7 H ALA 7 -17.454 8.291 -2.093 38 HA ALA 7 HA ALA 7 -15.206 6.785 -1.174 39 HB1 ALA 7 1HB ALA 7 -15.739 8.140 -3.839 40 HB2 ALA 7 2HB ALA 7 -15.893 6.418 -3.428 41 HB3 ALA 7 3HB ALA 7 -14.315 7.158 -3.483 42 H ASP 8 H ASP 8 -15.425 9.037 0.372 43 HA ASP 8 HA ASP 8 -13.727 11.210 -0.291 44 HB2 ASP 8 2HB ASP 8 -14.449 9.928 2.360 45 HB3 ASP 8 1HB ASP 8 -13.490 11.386 2.222 46 H LYS 9 H LYS 9 -13.406 8.088 1.082 47 HA LYS 9 HA LYS 9 -10.549 8.319 1.618 48 HB2 LYS 9 2HB LYS 9 -12.494 6.081 2.131 49 HB3 LYS 9 1HB LYS 9 -10.856 6.216 2.751 50 HG2 LYS 9 2HG LYS 9 -13.002 8.281 3.366 51 HG3 LYS 9 1HG LYS 9 -12.728 6.865 4.367 52 HD2 LYS 9 2HD LYS 9 -10.234 7.677 4.361 53 HD3 LYS 9 1HD LYS 9 -10.951 9.243 3.947 54 HE2 LYS 9 2HE LYS 9 -10.711 8.985 6.377 55 HE3 LYS 9 1HE LYS 9 -12.421 9.075 5.942 56 HZ1 LYS 9 3HZ LYS 9 -11.061 6.427 6.168 57 HZ2 LYS 9 1HZ LYS 9 -12.704 6.784 6.377 58 HZ3 LYS 9 2HZ LYS 9 -11.615 7.231 7.536 59 H ILE 10 H ILE 10 -9.160 6.612 0.883 60 HA ILE 10 HA ILE 10 -10.095 5.125 -1.484 61 HB ILE 10 HB ILE 10 -7.218 5.700 -0.653 62 HG12 ILE 10 2HG1 ILE 10 -8.486 7.713 -1.550 63 HG13 ILE 10 1HG1 ILE 10 -7.122 7.213 -2.547 64 HG21 ILE 10 1HG2 ILE 10 -6.998 3.766 -1.837 65 HG22 ILE 10 2HG2 ILE 10 -7.027 4.901 -3.185 66 HG23 ILE 10 3HG2 ILE 10 -8.477 4.008 -2.762 67 HD11 ILE 10 3HD1 ILE 10 -8.415 6.721 -4.276 68 HD12 ILE 10 1HD1 ILE 10 -9.729 7.548 -3.446 69 HD13 ILE 10 2HD1 ILE 10 -9.556 5.792 -3.311 70 H LYS 11 H LYS 11 -10.295 2.981 -1.165 71 HA LYS 11 HA LYS 11 -9.500 1.910 1.437 72 HB2 LYS 11 2HB LYS 11 -11.044 0.631 -0.854 73 HB3 LYS 11 1HB LYS 11 -10.657 -0.142 0.663 74 HG2 LYS 11 2HG LYS 11 -11.935 1.485 1.925 75 HG3 LYS 11 1HG LYS 11 -12.250 2.427 0.466 76 HD2 LYS 11 2HD LYS 11 -14.212 1.168 0.706 77 HD3 LYS 11 1HD LYS 11 -13.299 0.279 -0.494 78 HE2 LYS 11 2HE LYS 11 -12.508 -1.351 1.134 79 HE3 LYS 11 1HE LYS 11 -13.170 -0.443 2.478 80 HZ1 LYS 11 3HZ LYS 11 -14.459 -2.196 0.580 81 HZ2 LYS 11 1HZ LYS 11 -15.379 -0.830 0.984 82 HZ3 LYS 11 2HZ LYS 11 -14.843 -1.871 2.192 83 H CYS 12 H CYS 12 -7.392 1.502 1.477 84 HA CYS 12 HA CYS 12 -6.325 -0.337 -0.535 85 HB2 CYS 12 2HB CYS 12 -5.054 1.145 -1.608 86 HB3 CYS 12 1HB CYS 12 -5.800 2.439 -0.679 87 HG CYS 12 HG CYS 12 -3.112 1.027 0.065 88 H SER 13 H SER 13 -4.157 -1.084 -0.031 89 HA SER 13 HA SER 13 -3.532 -1.026 2.820 90 HB2 SER 13 2HB SER 13 -3.404 -3.529 1.125 91 HB3 SER 13 1HB SER 13 -3.165 -3.405 2.856 92 HG SER 13 HG SER 13 -5.308 -4.127 2.143 93 H HIS 14 H HIS 14 -1.264 -1.182 3.249 94 HA HIS 14 HA HIS 14 0.411 -1.230 0.855 95 HB2 HIS 14 2HB HIS 14 1.306 0.813 1.050 96 HB3 HIS 14 1HB HIS 14 -0.182 1.186 1.911 97 HD2 HIS 14 2HD HIS 14 0.515 0.159 4.912 98 HE1 HIS 14 1HE HIS 14 4.119 2.326 4.571 99 HE2 HIS 14 2HE HIS 14 2.510 1.219 6.200 100 H ILE 15 H ILE 15 2.519 -1.749 1.062 101 HA ILE 15 HA ILE 15 3.364 -2.986 3.601 102 HB ILE 15 HB ILE 15 3.729 -4.027 0.772 103 HG12 ILE 15 2HG1 ILE 15 2.315 -5.276 3.142 104 HG13 ILE 15 1HG1 ILE 15 1.487 -4.368 1.894 105 HG21 ILE 15 1HG2 ILE 15 5.504 -5.135 1.519 106 HG22 ILE 15 2HG2 ILE 15 4.484 -5.955 2.697 107 HG23 ILE 15 3HG2 ILE 15 5.325 -4.474 3.146 108 HD11 ILE 15 3HD1 ILE 15 3.301 -6.618 1.069 109 HD12 ILE 15 1HD1 ILE 15 1.872 -5.963 0.259 110 HD13 ILE 15 2HD1 ILE 15 1.684 -6.972 1.687 111 H LEU 16 H LEU 16 5.296 -2.205 4.261 112 HA LEU 16 HA LEU 16 6.702 -0.379 2.437 113 HB2 LEU 16 2HB LEU 16 5.979 0.488 4.667 114 HB3 LEU 16 1HB LEU 16 7.043 -0.688 5.425 115 HG LEU 16 HG LEU 16 8.995 0.303 4.216 116 HD11 LEU 16 1HD1 LEU 16 6.873 1.727 2.807 117 HD12 LEU 16 2HD1 LEU 16 8.574 1.538 2.399 118 HD13 LEU 16 3HD1 LEU 16 8.077 2.826 3.472 119 HD21 LEU 16 3HD2 LEU 16 8.067 1.137 6.536 120 HD22 LEU 16 1HD2 LEU 16 7.559 2.549 5.613 121 HD23 LEU 16 2HD2 LEU 16 9.258 2.120 5.689 122 H VAL 17 H VAL 17 8.616 -0.825 1.602 123 HA VAL 17 HA VAL 17 10.275 -2.898 2.841 124 HB VAL 17 HB VAL 17 11.004 -3.521 0.521 125 HG11 VAL 17 1HG1 VAL 17 9.551 -5.001 1.684 126 HG12 VAL 17 2HG1 VAL 17 8.903 -4.849 0.053 127 HG13 VAL 17 3HG1 VAL 17 8.150 -3.967 1.388 128 HG21 VAL 17 3HG2 VAL 17 9.907 -2.785 -1.350 129 HG22 VAL 17 1HG2 VAL 17 9.786 -1.326 -0.367 130 HG23 VAL 17 2HG2 VAL 17 8.410 -2.430 -0.484 131 H LYS 18 H LYS 18 12.450 -2.722 2.384 132 HA LYS 18 HA LYS 18 13.324 0.043 2.199 133 HB2 LYS 18 2HB LYS 18 15.640 -0.968 2.746 134 HB3 LYS 18 1HB LYS 18 14.425 -0.901 4.012 135 HG2 LYS 18 2HG LYS 18 13.833 -3.303 3.552 136 HG3 LYS 18 1HG LYS 18 15.131 -3.347 2.335 137 HD2 LYS 18 2HD LYS 18 16.786 -2.997 4.036 138 HD3 LYS 18 1HD LYS 18 15.568 -2.607 5.236 139 HE2 LYS 18 2HE LYS 18 16.352 -4.908 5.556 140 HE3 LYS 18 1HE LYS 18 14.659 -4.900 5.103 141 HZ1 LYS 18 3HZ LYS 18 16.938 -5.379 3.239 142 HZ2 LYS 18 1HZ LYS 18 15.307 -5.429 2.782 143 HZ3 LYS 18 2HZ LYS 18 15.888 -6.551 3.860 144 H LYS 19 H LYS 19 13.184 -2.746 0.200 145 HA LYS 19 HA LYS 19 14.560 -1.200 -1.866 146 HB2 LYS 19 2HB LYS 19 15.218 -4.079 -1.210 147 HB3 LYS 19 1HB LYS 19 15.751 -3.246 -2.662 148 HG2 LYS 19 2HG LYS 19 16.350 -2.237 0.144 149 HG3 LYS 19 1HG LYS 19 17.450 -3.221 -0.803 150 HD2 LYS 19 2HD LYS 19 17.775 -1.567 -2.455 151 HD3 LYS 19 1HD LYS 19 16.403 -0.596 -1.995 152 HE2 LYS 19 2HE LYS 19 18.940 -1.007 -0.386 153 HE3 LYS 19 1HE LYS 19 18.426 0.451 -1.222 154 HZ1 LYS 19 3HZ LYS 19 17.537 1.000 0.712 155 HZ2 LYS 19 1HZ LYS 19 17.523 -0.559 1.338 156 HZ3 LYS 19 2HZ LYS 19 16.272 -0.006 0.309 157 H GLN 20 H GLN 20 14.170 -1.665 -3.999 158 HA GLN 20 HA GLN 20 11.433 -1.987 -4.561 159 HB2 GLN 20 2HB GLN 20 13.771 -2.175 -6.468 160 HB3 GLN 20 1HB GLN 20 12.102 -1.842 -6.898 161 HG2 GLN 20 2HG GLN 20 12.713 0.343 -6.701 162 HG3 GLN 20 1HG GLN 20 12.489 0.088 -4.977 163 HE21 GLN 20 1HE2 GLN 20 14.495 1.837 -6.493 164 HE22 GLN 20 2HE2 GLN 20 15.996 1.344 -5.880 165 H GLY 21 H GLY 21 14.147 -4.231 -4.796 166 HA2 GLY 21 2HA GLY 21 12.806 -6.300 -6.162 167 HA3 GLY 21 1HA GLY 21 14.192 -6.534 -5.095 168 H GLU 22 H GLU 22 12.949 -5.387 -2.786 169 HA GLU 22 HA GLU 22 11.559 -7.637 -1.724 170 HB2 GLU 22 2HB GLU 22 11.799 -4.769 -0.770 171 HB3 GLU 22 1HB GLU 22 11.085 -6.087 0.143 172 HG2 GLU 22 2HG GLU 22 13.124 -7.295 0.209 173 HG3 GLU 22 1HG GLU 22 13.921 -6.178 -0.906 174 H ALA 23 H ALA 23 10.654 -4.428 -2.864 175 HA ALA 23 HA ALA 23 7.887 -4.589 -2.387 176 HB1 ALA 23 1HB ALA 23 7.760 -2.973 -4.423 177 HB2 ALA 23 2HB ALA 23 9.519 -2.988 -4.343 178 HB3 ALA 23 3HB ALA 23 8.575 -2.424 -2.965 179 H LEU 24 H LEU 24 9.739 -5.397 -5.314 180 HA LEU 24 HA LEU 24 7.471 -6.299 -6.753 181 HB2 LEU 24 2HB LEU 24 10.379 -7.014 -7.110 182 HB3 LEU 24 1HB LEU 24 9.096 -7.525 -8.200 183 HG LEU 24 HG LEU 24 9.986 -4.683 -7.619 184 HD11 LEU 24 1HD1 LEU 24 10.543 -4.617 -9.913 185 HD12 LEU 24 2HD1 LEU 24 9.666 -6.121 -10.195 186 HD13 LEU 24 3HD1 LEU 24 11.197 -6.154 -9.290 187 HD21 LEU 24 3HD2 LEU 24 7.468 -5.740 -8.922 188 HD22 LEU 24 1HD2 LEU 24 8.180 -4.212 -9.443 189 HD23 LEU 24 2HD2 LEU 24 7.669 -4.403 -7.777 190 H ALA 25 H ALA 25 9.756 -7.959 -4.664 191 HA ALA 25 HA ALA 25 8.926 -10.548 -5.218 192 HB1 ALA 25 1HB ALA 25 9.563 -10.886 -2.655 193 HB2 ALA 25 2HB ALA 25 10.186 -9.251 -2.834 194 HB3 ALA 25 3HB ALA 25 10.801 -10.548 -3.864 195 H VAL 26 H VAL 26 7.665 -8.299 -2.765 196 HA VAL 26 HA VAL 26 5.612 -10.084 -1.932 197 HB VAL 26 HB VAL 26 4.599 -8.189 -0.787 198 HG11 VAL 26 1HG1 VAL 26 7.499 -7.605 -0.461 199 HG12 VAL 26 2HG1 VAL 26 6.971 -9.257 -0.151 200 HG13 VAL 26 3HG1 VAL 26 6.266 -7.907 0.757 201 HG21 VAL 26 3HG2 VAL 26 5.316 -5.932 -1.077 202 HG22 VAL 26 1HG2 VAL 26 5.076 -6.522 -2.721 203 HG23 VAL 26 2HG2 VAL 26 6.701 -6.412 -2.033 204 H GLN 27 H GLN 27 5.792 -7.583 -4.389 205 HA GLN 27 HA GLN 27 3.074 -7.540 -5.129 206 HB2 GLN 27 2HB GLN 27 5.623 -6.971 -6.569 207 HB3 GLN 27 1HB GLN 27 4.159 -6.724 -7.438 208 HG2 GLN 27 2HG GLN 27 3.365 -5.197 -5.650 209 HG3 GLN 27 1HG GLN 27 4.854 -5.450 -4.753 210 HE21 GLN 27 1HE2 GLN 27 4.792 -2.991 -5.122 211 HE22 GLN 27 2HE2 GLN 27 5.562 -2.393 -6.512 212 H GLU 28 H GLU 28 5.762 -9.479 -6.360 213 HA GLU 28 HA GLU 28 4.180 -10.969 -8.202 214 HB2 GLU 28 2HB GLU 28 6.886 -11.467 -6.975 215 HB3 GLU 28 1HB GLU 28 6.174 -12.531 -8.190 216 HG2 GLU 28 2HG GLU 28 5.963 -10.617 -9.728 217 HG3 GLU 28 1HG GLU 28 6.653 -9.561 -8.507 218 H ARG 29 H ARG 29 5.234 -11.497 -4.896 219 HA ARG 29 HA ARG 29 4.186 -14.114 -4.654 220 HB2 ARG 29 2HB ARG 29 5.821 -13.210 -3.042 221 HB3 ARG 29 1HB ARG 29 4.597 -12.071 -2.470 222 HG2 ARG 29 2HG ARG 29 3.137 -13.938 -1.796 223 HG3 ARG 29 1HG ARG 29 4.324 -15.086 -2.407 224 HD2 ARG 29 2HD ARG 29 5.945 -14.406 -0.793 225 HD3 ARG 29 1HD ARG 29 4.951 -13.057 -0.264 226 HE ARG 29 HE ARG 29 3.646 -15.618 0.001 227 HH11 ARG 29 1HH2 ARG 29 5.988 -13.436 1.435 228 HH12 ARG 29 2HH2 ARG 29 5.575 -13.930 3.050 229 HH21 ARG 29 1HH1 ARG 29 3.168 -16.203 2.150 230 HH22 ARG 29 2HH1 ARG 29 4.067 -15.457 3.454 231 H LEU 30 H LEU 30 2.781 -10.929 -4.192 232 HA LEU 30 HA LEU 30 0.435 -11.620 -2.871 233 HB2 LEU 30 2HB LEU 30 1.490 -9.280 -3.674 234 HB3 LEU 30 1HB LEU 30 0.415 -9.526 -5.030 235 HG LEU 30 HG LEU 30 -0.805 -8.235 -3.437 236 HD11 LEU 30 1HD1 LEU 30 -1.987 -10.263 -4.457 237 HD12 LEU 30 2HD1 LEU 30 -2.696 -9.538 -3.018 238 HD13 LEU 30 3HD1 LEU 30 -1.773 -11.029 -2.873 239 HD21 LEU 30 3HD2 LEU 30 -1.084 -9.659 -1.094 240 HD22 LEU 30 1HD2 LEU 30 0.024 -8.311 -1.323 241 HD23 LEU 30 2HD2 LEU 30 0.607 -9.956 -1.498 242 H LYS 31 H LYS 31 1.411 -11.741 -6.199 243 HA LYS 31 HA LYS 31 -1.078 -12.298 -7.407 244 HB2 LYS 31 2HB LYS 31 1.621 -13.306 -8.349 245 HB3 LYS 31 1HB LYS 31 0.178 -13.053 -9.313 246 HG2 LYS 31 2HG LYS 31 1.814 -10.889 -7.945 247 HG3 LYS 31 1HG LYS 31 1.718 -11.199 -9.662 248 HD2 LYS 31 2HD LYS 31 -0.893 -10.811 -9.305 249 HD3 LYS 31 1HD LYS 31 -0.364 -10.063 -7.840 250 HE2 LYS 31 2HE LYS 31 0.865 -8.360 -8.878 251 HE3 LYS 31 1HE LYS 31 0.971 -9.253 -10.395 252 HZ1 LYS 31 3HZ LYS 31 -1.712 -8.934 -10.035 253 HZ2 LYS 31 1HZ LYS 31 -0.714 -8.060 -11.051 254 HZ3 LYS 31 2HZ LYS 31 -1.105 -7.436 -9.533 255 H ALA 32 H ALA 32 1.177 -14.294 -5.589 256 HA ALA 32 HA ALA 32 0.448 -16.837 -6.505 257 HB1 ALA 32 1HB ALA 32 1.251 -16.160 -3.668 258 HB2 ALA 32 2HB ALA 32 2.402 -16.306 -4.994 259 HB3 ALA 32 3HB ALA 32 1.437 -17.693 -4.508 260 H GLY 33 H GLY 33 -1.256 -14.575 -4.572 261 HA2 GLY 33 2HA GLY 33 -3.630 -14.830 -4.236 262 HA3 GLY 33 1HA GLY 33 -3.403 -16.567 -4.135 263 H GLU 34 H GLU 34 -0.907 -14.984 -2.527 264 HA GLU 34 HA GLU 34 -1.979 -15.763 0.024 265 HB2 GLU 34 2HB GLU 34 0.621 -14.356 -0.678 266 HB3 GLU 34 1HB GLU 34 0.152 -14.861 0.943 267 HG2 GLU 34 2HG GLU 34 -0.189 -17.221 -0.107 268 HG3 GLU 34 1HG GLU 34 0.712 -16.585 -1.453 269 H LYS 35 H LYS 35 -2.177 -14.326 1.810 270 HA LYS 35 HA LYS 35 -3.770 -12.107 1.079 271 HB2 LYS 35 2HB LYS 35 -2.886 -13.138 3.756 272 HB3 LYS 35 1HB LYS 35 -3.911 -11.715 3.568 273 HG2 LYS 35 2HG LYS 35 -5.515 -12.918 2.309 274 HG3 LYS 35 1HG LYS 35 -4.567 -14.407 2.335 275 HD2 LYS 35 2HD LYS 35 -5.585 -13.001 4.831 276 HD3 LYS 35 1HD LYS 35 -6.469 -14.301 4.076 277 HE2 LYS 35 2HE LYS 35 -3.637 -15.041 4.499 278 HE3 LYS 35 1HE LYS 35 -4.474 -14.557 5.964 279 HZ1 LYS 35 3HZ LYS 35 -5.445 -16.633 4.076 280 HZ2 LYS 35 1HZ LYS 35 -6.253 -16.092 5.448 281 HZ3 LYS 35 2HZ LYS 35 -4.781 -16.904 5.608 282 H PHE 36 H PHE 36 -3.511 -10.039 1.279 283 HA PHE 36 HA PHE 36 -1.008 -8.839 0.885 284 HB2 PHE 36 2HB PHE 36 -3.345 -7.953 0.360 285 HB3 PHE 36 1HB PHE 36 -3.458 -7.518 2.044 286 HD1 PHE 36 1HD PHE 36 -1.650 -6.802 -1.087 287 HD2 PHE 36 2HD PHE 36 -2.110 -5.741 3.053 288 HE1 PHE 36 1HE PHE 36 -0.329 -4.742 -1.469 289 HE2 PHE 36 2HE PHE 36 -0.789 -3.680 2.664 290 HZ PHE 36 HZ PHE 36 0.101 -3.187 0.391 291 H GLY 37 H GLY 37 -3.085 -9.172 3.702 292 HA2 GLY 37 2HA GLY 37 -1.468 -7.794 5.540 293 HA3 GLY 37 1HA GLY 37 -2.688 -9.013 5.956 294 H LYS 38 H LYS 38 -1.459 -11.136 4.463 295 HA LYS 38 HA LYS 38 0.307 -12.163 6.415 296 HB2 LYS 38 2HB LYS 38 -1.035 -13.545 4.814 297 HB3 LYS 38 1HB LYS 38 0.024 -13.006 3.511 298 HG2 LYS 38 2HG LYS 38 1.963 -14.012 4.675 299 HG3 LYS 38 1HG LYS 38 0.892 -14.552 5.971 300 HD2 LYS 38 2HD LYS 38 -0.410 -15.881 4.352 301 HD3 LYS 38 1HD LYS 38 0.669 -15.355 3.062 302 HE2 LYS 38 2HE LYS 38 2.589 -16.436 4.245 303 HE3 LYS 38 1HE LYS 38 1.480 -16.985 5.500 304 HZ1 LYS 38 3HZ LYS 38 1.871 -18.718 3.801 305 HZ2 LYS 38 1HZ LYS 38 1.321 -17.630 2.626 306 HZ3 LYS 38 2HZ LYS 38 0.264 -18.220 3.824 307 H LEU 39 H LEU 39 0.850 -10.810 3.199 308 HA LEU 39 HA LEU 39 3.691 -10.800 3.268 309 HB2 LEU 39 2HB LEU 39 1.629 -9.278 1.688 310 HB3 LEU 39 1HB LEU 39 3.295 -8.767 1.649 311 HG LEU 39 HG LEU 39 2.723 -10.358 -0.195 312 HD11 LEU 39 1HD1 LEU 39 5.011 -10.136 1.241 313 HD12 LEU 39 2HD1 LEU 39 4.832 -11.116 -0.198 314 HD13 LEU 39 3HD1 LEU 39 4.691 -11.862 1.401 315 HD21 LEU 39 3HD2 LEU 39 2.396 -12.720 0.322 316 HD22 LEU 39 1HD2 LEU 39 1.155 -11.798 1.150 317 HD23 LEU 39 2HD2 LEU 39 2.539 -12.425 2.049 318 H ALA 40 H ALA 40 1.225 -8.510 4.213 319 HA ALA 40 HA ALA 40 2.865 -6.366 4.723 320 HB1 ALA 40 1HB ALA 40 1.089 -5.393 5.996 321 HB2 ALA 40 2HB ALA 40 0.376 -6.970 6.322 322 HB3 ALA 40 3HB ALA 40 0.352 -6.310 4.685 323 H LYS 41 H LYS 41 1.685 -8.851 6.929 324 HA LYS 41 HA LYS 41 3.152 -7.980 9.201 325 HB2 LYS 41 2HB LYS 41 1.181 -9.490 9.301 326 HB3 LYS 41 1HB LYS 41 2.168 -10.774 8.610 327 HG2 LYS 41 2HG LYS 41 3.638 -9.582 10.783 328 HG3 LYS 41 1HG LYS 41 2.041 -9.908 11.342 329 HD2 LYS 41 2HD LYS 41 2.782 -12.026 11.726 330 HD3 LYS 41 1HD LYS 41 2.496 -12.269 10.021 331 HE2 LYS 41 2HE LYS 41 4.846 -12.878 11.027 332 HE3 LYS 41 1HE LYS 41 4.742 -12.107 9.458 333 HZ1 LYS 41 3HZ LYS 41 6.348 -11.156 11.245 334 HZ2 LYS 41 1HZ LYS 41 4.976 -10.430 11.892 335 HZ3 LYS 41 2HZ LYS 41 5.457 -10.059 10.309 336 H GLU 42 H GLU 42 3.765 -10.397 6.686 337 HA GLU 42 HA GLU 42 6.096 -11.426 7.876 338 HB2 GLU 42 2HB GLU 42 4.921 -11.576 5.157 339 HB3 GLU 42 1HB GLU 42 6.441 -12.348 5.444 340 HG2 GLU 42 2HG GLU 42 5.355 -13.612 7.357 341 HG3 GLU 42 1HG GLU 42 3.820 -12.876 6.915 342 H LEU 43 H LEU 43 5.730 -9.059 5.224 343 HA LEU 43 HA LEU 43 8.633 -8.863 5.186 344 HB2 LEU 43 2HB LEU 43 7.875 -9.542 3.097 345 HB3 LEU 43 1HB LEU 43 6.479 -8.479 3.132 346 HG LEU 43 HG LEU 43 8.308 -7.797 1.566 347 HD11 LEU 43 1HD1 LEU 43 6.705 -6.282 3.269 348 HD12 LEU 43 2HD1 LEU 43 7.399 -5.816 1.734 349 HD13 LEU 43 3HD1 LEU 43 8.263 -5.442 3.236 350 HD21 LEU 43 3HD2 LEU 43 9.996 -8.197 3.826 351 HD22 LEU 43 1HD2 LEU 43 9.972 -6.453 3.518 352 HD23 LEU 43 2HD2 LEU 43 10.421 -7.565 2.247 353 H SER 44 H SER 44 5.779 -6.740 5.428 354 HA SER 44 HA SER 44 6.985 -4.349 4.936 355 HB2 SER 44 2HB SER 44 5.010 -4.564 7.193 356 HB3 SER 44 1HB SER 44 5.244 -3.254 6.064 357 HG SER 44 HG SER 44 4.018 -5.679 5.843 358 H ILE 45 H ILE 45 8.240 -2.897 5.950 359 HA ILE 45 HA ILE 45 9.428 -3.642 8.523 360 HB ILE 45 HB ILE 45 11.053 -1.866 8.050 361 HG12 ILE 45 2HG1 ILE 45 9.562 -1.507 5.417 362 HG13 ILE 45 1HG1 ILE 45 9.492 -0.367 6.767 363 HG21 ILE 45 1HG2 ILE 45 12.269 -3.130 6.564 364 HG22 ILE 45 2HG2 ILE 45 10.929 -3.307 5.439 365 HG23 ILE 45 3HG2 ILE 45 10.994 -4.303 6.893 366 HD11 ILE 45 3HD1 ILE 45 11.172 0.564 5.465 367 HD12 ILE 45 1HD1 ILE 45 11.777 -1.008 4.945 368 HD13 ILE 45 2HD1 ILE 45 12.109 -0.438 6.576 369 H ASP 46 H ASP 46 6.843 -2.029 7.372 370 HA ASP 46 HA ASP 46 6.770 0.125 9.361 371 HB2 ASP 46 2HB ASP 46 5.952 0.539 7.050 372 HB3 ASP 46 1HB ASP 46 4.747 -0.717 7.270 373 H GLY 47 H GLY 47 6.465 -0.789 11.335 374 HA2 GLY 47 2HA GLY 47 4.956 -3.113 11.867 375 HA3 GLY 47 1HA GLY 47 5.488 -1.934 13.057 376 H GLY 48 H GLY 48 4.177 0.341 12.155 377 HA2 GLY 48 2HA GLY 48 1.688 0.112 13.386 378 HA3 GLY 48 1HA GLY 48 2.149 1.428 12.315 379 H SER 49 H SER 49 2.562 0.112 9.974 380 HA SER 49 HA SER 49 -0.078 -0.340 8.989 381 HB2 SER 49 2HB SER 49 2.624 -0.932 7.762 382 HB3 SER 49 1HB SER 49 1.097 -1.092 6.921 383 HG SER 49 HG SER 49 2.434 1.218 7.861 384 H ALA 50 H ALA 50 2.475 -2.395 10.232 385 HA ALA 50 HA ALA 50 1.446 -4.869 9.324 386 HB1 ALA 50 1HB ALA 50 3.057 -5.886 10.681 387 HB2 ALA 50 2HB ALA 50 3.040 -4.596 11.865 388 HB3 ALA 50 3HB ALA 50 3.803 -4.343 10.297 389 H LYS 51 H LYS 51 0.847 -2.864 12.114 390 HA LYS 51 HA LYS 51 -0.559 -4.752 13.700 391 HB2 LYS 51 2HB LYS 51 -1.054 -1.753 13.564 392 HB3 LYS 51 1HB LYS 51 -1.502 -2.831 14.873 393 HG2 LYS 51 2HG LYS 51 1.338 -2.172 14.014 394 HG3 LYS 51 1HG LYS 51 0.524 -1.623 15.458 395 HD2 LYS 51 2HD LYS 51 0.337 -3.926 16.293 396 HD3 LYS 51 1HD LYS 51 1.126 -4.527 14.832 397 HE2 LYS 51 2HE LYS 51 3.135 -3.167 15.356 398 HE3 LYS 51 1HE LYS 51 2.365 -2.624 16.841 399 HZ1 LYS 51 3HZ LYS 51 2.184 -5.061 17.446 400 HZ2 LYS 51 1HZ LYS 51 3.761 -4.440 17.387 401 HZ3 LYS 51 2HZ LYS 51 3.167 -5.363 16.106 402 H ARG 52 H ARG 52 -1.459 -2.631 11.119 403 HA ARG 52 HA ARG 52 -4.194 -3.708 11.045 404 HB2 ARG 52 2HB ARG 52 -2.922 -1.300 9.726 405 HB3 ARG 52 1HB ARG 52 -4.506 -1.913 9.285 406 HG2 ARG 52 2HG ARG 52 -5.340 -1.620 11.563 407 HG3 ARG 52 1HG ARG 52 -3.743 -1.143 12.122 408 HD2 ARG 52 2HD ARG 52 -5.145 0.850 11.792 409 HD3 ARG 52 1HD ARG 52 -3.804 0.844 10.680 410 HE ARG 52 HE ARG 52 -5.294 0.570 8.906 411 HH11 ARG 52 1HH2 ARG 52 -6.908 0.062 11.934 412 HH12 ARG 52 2HH2 ARG 52 -8.495 0.215 11.284 413 HH21 ARG 52 1HH1 ARG 52 -7.412 0.833 8.033 414 HH22 ARG 52 2HH1 ARG 52 -8.777 0.680 9.049 415 H ASP 53 H ASP 53 -1.562 -4.996 10.283 416 HA ASP 53 HA ASP 53 -0.637 -6.232 8.594 417 HB2 ASP 53 2HB ASP 53 -2.426 -7.670 7.409 418 HB3 ASP 53 1HB ASP 53 -2.203 -7.870 9.123 419 H GLY 54 H GLY 54 -0.779 -3.654 7.813 420 HA2 GLY 54 2HA GLY 54 -0.355 -2.467 5.861 421 HA3 GLY 54 1HA GLY 54 -0.596 -3.955 4.958 422 H SER 55 H SER 55 -3.280 -4.234 6.421 423 HA SER 55 HA SER 55 -4.900 -3.051 4.421 424 HB2 SER 55 2HB SER 55 -5.739 -4.160 7.091 425 HB3 SER 55 1HB SER 55 -6.734 -3.986 5.647 426 HG SER 55 HG SER 55 -4.802 -5.851 6.371 427 H LEU 56 H LEU 56 -4.157 -0.894 4.607 428 HA LEU 56 HA LEU 56 -4.463 0.721 6.888 429 HB2 LEU 56 2HB LEU 56 -4.508 1.450 3.949 430 HB3 LEU 56 1HB LEU 56 -4.418 2.620 5.252 431 HG LEU 56 HG LEU 56 -2.408 0.378 4.862 432 HD11 LEU 56 1HD1 LEU 56 -2.479 3.199 3.882 433 HD12 LEU 56 2HD1 LEU 56 -1.936 1.718 3.094 434 HD13 LEU 56 3HD1 LEU 56 -0.932 2.466 4.327 435 HD21 LEU 56 3HD2 LEU 56 -1.085 1.918 6.405 436 HD22 LEU 56 1HD2 LEU 56 -2.391 1.019 7.157 437 HD23 LEU 56 2HD2 LEU 56 -2.606 2.731 6.769 438 H GLY 57 H GLY 57 -6.621 -0.004 4.191 439 HA2 GLY 57 2HA GLY 57 -8.959 -0.213 4.375 440 HA3 GLY 57 1HA GLY 57 -8.917 0.694 5.884 441 H TYR 58 H TYR 58 -10.476 2.169 5.284 442 HA TYR 58 HA TYR 58 -10.191 3.724 2.844 443 HB2 TYR 58 2HB TYR 58 -12.126 4.884 4.657 444 HB3 TYR 58 1HB TYR 58 -12.389 4.166 3.088 445 HD1 TYR 58 1HD TYR 58 -11.709 3.184 6.652 446 HD2 TYR 58 2HD TYR 58 -13.723 2.215 2.970 447 HE1 TYR 58 1HE TYR 58 -12.848 1.307 7.760 448 HE2 TYR 58 2HE TYR 58 -14.853 0.335 4.090 449 HH TYR 58 HH TYR 58 -14.950 0.035 7.427 450 H PHE 59 H PHE 59 -8.518 5.120 2.886 451 HA PHE 59 HA PHE 59 -8.366 6.997 5.172 452 HB2 PHE 59 2HB PHE 59 -5.986 7.276 4.609 453 HB3 PHE 59 1HB PHE 59 -6.360 5.635 5.117 454 HD1 PHE 59 1HD PHE 59 -5.524 7.789 2.212 455 HD2 PHE 59 2HD PHE 59 -6.332 3.777 3.542 456 HE1 PHE 59 1HE PHE 59 -4.681 6.902 0.067 457 HE2 PHE 59 2HE PHE 59 -5.503 2.897 1.426 458 HZ PHE 59 HZ PHE 59 -4.663 4.453 -0.344 459 H GLY 60 H GLY 60 -8.034 9.148 4.718 460 HA2 GLY 60 2HA GLY 60 -9.080 9.990 2.156 461 HA3 GLY 60 1HA GLY 60 -8.832 11.031 3.538 462 H ARG 61 H ARG 61 -7.998 12.351 1.567 463 HA ARG 61 HA ARG 61 -5.351 11.619 0.725 464 HB2 ARG 61 2HB ARG 61 -7.145 13.890 -0.015 465 HB3 ARG 61 1HB ARG 61 -5.517 13.708 -0.645 466 HG2 ARG 61 2HG ARG 61 -6.387 11.217 -1.170 467 HG3 ARG 61 1HG ARG 61 -7.947 12.041 -1.183 468 HD2 ARG 61 2HD ARG 61 -6.989 12.046 -3.419 469 HD3 ARG 61 1HD ARG 61 -7.089 13.681 -2.797 470 HE ARG 61 HE ARG 61 -4.589 12.847 -2.021 471 HH11 ARG 61 1HH2 ARG 61 -6.313 12.885 -5.063 472 HH12 ARG 61 2HH2 ARG 61 -4.914 13.182 -5.996 473 HH21 ARG 61 1HH1 ARG 61 -2.741 13.232 -3.257 474 HH22 ARG 61 2HH1 ARG 61 -2.841 13.371 -4.970 475 H GLY 62 H GLY 62 -3.674 13.188 0.635 476 HA2 GLY 62 2HA GLY 62 -2.228 14.629 1.556 477 HA3 GLY 62 1HA GLY 62 -3.512 15.304 2.565 478 H LYS 63 H LYS 63 -4.064 12.414 3.384 479 HA LYS 63 HA LYS 63 -2.707 12.506 5.847 480 HB2 LYS 63 2HB LYS 63 -4.020 10.074 4.614 481 HB3 LYS 63 1HB LYS 63 -3.802 10.432 6.321 482 HG2 LYS 63 2HG LYS 63 -5.633 11.874 4.379 483 HG3 LYS 63 1HG LYS 63 -6.086 10.938 5.783 484 HD2 LYS 63 2HD LYS 63 -4.984 12.574 7.286 485 HD3 LYS 63 1HD LYS 63 -4.514 13.552 5.903 486 HE2 LYS 63 2HE LYS 63 -7.331 12.968 6.852 487 HE3 LYS 63 1HE LYS 63 -6.494 14.511 6.822 488 HZ1 LYS 63 3HZ LYS 63 -7.486 14.786 4.853 489 HZ2 LYS 63 1HZ LYS 63 -7.900 13.192 4.682 490 HZ3 LYS 63 2HZ LYS 63 -6.380 13.743 4.166 491 H MET 64 H MET 64 -2.144 10.719 2.884 492 HA MET 64 HA MET 64 0.436 9.792 3.971 493 HB2 MET 64 2HB MET 64 -1.530 8.457 2.163 494 HB3 MET 64 1HB MET 64 0.173 8.179 1.870 495 HG2 MET 64 2HG MET 64 -0.680 6.471 3.404 496 HG3 MET 64 1HG MET 64 0.501 7.481 4.217 497 HE1 MET 64 3HE MET 64 -2.941 6.530 3.468 498 HE2 MET 64 1HE MET 64 -3.577 8.185 3.544 499 HE3 MET 64 2HE MET 64 -3.933 7.038 4.819 500 H VAL 65 H VAL 65 2.165 9.639 2.452 501 HA VAL 65 HA VAL 65 2.666 12.076 1.261 502 HB VAL 65 HB VAL 65 4.738 11.109 0.459 503 HG11 VAL 65 1HG1 VAL 65 5.603 10.590 2.554 504 HG12 VAL 65 2HG1 VAL 65 4.221 9.590 2.992 505 HG13 VAL 65 3HG1 VAL 65 4.081 11.343 3.022 506 HG21 VAL 65 3HG2 VAL 65 3.259 8.516 0.928 507 HG22 VAL 65 1HG2 VAL 65 5.015 8.567 0.889 508 HG23 VAL 65 2HG2 VAL 65 4.108 9.027 -0.545 509 H LYS 66 H LYS 66 2.837 12.804 -0.822 510 HA LYS 66 HA LYS 66 0.788 12.341 -2.548 511 HB2 LYS 66 2HB LYS 66 3.562 13.323 -3.280 512 HB3 LYS 66 1HB LYS 66 2.155 13.443 -4.319 513 HG2 LYS 66 2HG LYS 66 1.007 14.888 -2.670 514 HG3 LYS 66 1HG LYS 66 2.261 14.567 -1.514 515 HD2 LYS 66 2HD LYS 66 2.902 16.669 -2.320 516 HD3 LYS 66 1HD LYS 66 3.942 15.582 -3.205 517 HE2 LYS 66 2HE LYS 66 2.398 17.528 -4.371 518 HE3 LYS 66 1HE LYS 66 2.993 16.105 -5.216 519 HZ1 LYS 66 3HZ LYS 66 0.330 16.452 -3.930 520 HZ2 LYS 66 1HZ LYS 66 0.873 14.981 -4.534 521 HZ3 LYS 66 2HZ LYS 66 0.653 16.277 -5.570 522 HA PRO 67 HA PRO 67 3.538 9.210 -5.215 523 HB2 PRO 67 2HB PRO 67 4.810 7.942 -2.827 524 HB3 PRO 67 1HB PRO 67 5.431 8.139 -4.474 525 HG2 PRO 67 2HG PRO 67 6.280 9.653 -2.481 526 HG3 PRO 67 1HG PRO 67 6.138 10.294 -4.108 527 HD2 PRO 67 2HD PRO 67 4.483 10.932 -1.741 528 HD3 PRO 67 1HD PRO 67 4.718 11.824 -3.249 529 H PHE 68 H PHE 68 2.652 8.581 -1.880 530 HA PHE 68 HA PHE 68 1.613 5.970 -2.127 531 HB2 PHE 68 2HB PHE 68 2.259 7.077 0.005 532 HB3 PHE 68 1HB PHE 68 0.820 8.093 -0.118 533 HD1 PHE 68 2HD PHE 68 -1.438 7.081 0.061 534 HD2 PHE 68 1HD PHE 68 2.151 4.764 0.577 535 HE1 PHE 68 2HE PHE 68 -2.746 5.265 1.104 536 HE2 PHE 68 1HE PHE 68 0.852 2.972 1.606 537 HZ PHE 68 HZ PHE 68 -1.624 3.214 1.870 538 H GLU 69 H GLU 69 0.081 9.160 -2.167 539 HA GLU 69 HA GLU 69 -2.574 8.249 -2.463 540 HB2 GLU 69 2HB GLU 69 -1.266 10.813 -3.355 541 HB3 GLU 69 1HB GLU 69 -2.986 10.529 -3.472 542 HG2 GLU 69 2HG GLU 69 -3.105 10.175 -1.038 543 HG3 GLU 69 1HG GLU 69 -1.372 10.461 -0.899 544 H ASP 70 H ASP 70 -0.171 9.234 -4.875 545 HA ASP 70 HA ASP 70 -1.861 8.971 -7.086 546 HB2 ASP 70 2HB ASP 70 0.435 10.014 -7.139 547 HB3 ASP 70 1HB ASP 70 1.100 8.390 -7.157 548 H ALA 71 H ALA 71 0.280 6.610 -5.592 549 HA ALA 71 HA ALA 71 -0.274 4.492 -7.381 550 HB1 ALA 71 1HB ALA 71 0.774 4.647 -4.589 551 HB2 ALA 71 2HB ALA 71 1.531 3.986 -6.036 552 HB3 ALA 71 3HB ALA 71 0.265 3.077 -5.214 553 H ALA 72 H ALA 72 -1.876 5.427 -4.323 554 HA ALA 72 HA ALA 72 -3.759 3.327 -4.303 555 HB1 ALA 72 1HB ALA 72 -3.188 5.172 -2.487 556 HB2 ALA 72 2HB ALA 72 -4.802 4.460 -2.587 557 HB3 ALA 72 3HB ALA 72 -4.504 6.042 -3.280 558 H PHE 73 H PHE 73 -3.889 6.583 -5.622 559 HA PHE 73 HA PHE 73 -6.480 6.253 -6.690 560 HB2 PHE 73 2HB PHE 73 -4.377 8.354 -7.112 561 HB3 PHE 73 1HB PHE 73 -5.833 8.310 -8.114 562 HD1 PHE 73 1HD PHE 73 -8.098 8.347 -7.017 563 HD2 PHE 73 2HD PHE 73 -4.481 9.125 -4.828 564 HE1 PHE 73 1HE PHE 73 -9.405 9.357 -5.192 565 HE2 PHE 73 2HE PHE 73 -5.769 10.115 -3.020 566 HZ PHE 73 HZ PHE 73 -8.259 10.247 -3.180 567 H ARG 74 H ARG 74 -3.255 5.703 -8.024 568 HA ARG 74 HA ARG 74 -4.062 5.400 -10.726 569 HB2 ARG 74 2HB ARG 74 -1.746 4.212 -9.206 570 HB3 ARG 74 1HB ARG 74 -2.038 3.851 -10.897 571 HG2 ARG 74 2HG ARG 74 -1.877 6.246 -11.467 572 HG3 ARG 74 1HG ARG 74 -1.625 6.672 -9.794 573 HD2 ARG 74 2HD ARG 74 0.504 6.532 -10.958 574 HD3 ARG 74 1HD ARG 74 0.403 5.302 -9.699 575 HE ARG 74 HE ARG 74 -0.395 4.530 -12.418 576 HH11 ARG 74 1HH2 ARG 74 2.133 4.522 -9.954 577 HH12 ARG 74 2HH2 ARG 74 2.877 3.104 -10.589 578 HH21 ARG 74 1HH1 ARG 74 0.668 2.651 -13.213 579 HH22 ARG 74 2HH1 ARG 74 2.040 2.032 -12.413 580 H LEU 75 H LEU 75 -3.821 3.020 -8.107 581 HA LEU 75 HA LEU 75 -5.093 1.095 -9.915 582 HB2 LEU 75 2HB LEU 75 -3.660 0.564 -7.320 583 HB3 LEU 75 1HB LEU 75 -4.416 -0.653 -8.312 584 HG LEU 75 HG LEU 75 -2.202 1.192 -9.266 585 HD11 LEU 75 1HD1 LEU 75 -0.907 -0.914 -9.357 586 HD12 LEU 75 2HD1 LEU 75 -2.240 -1.737 -8.548 587 HD13 LEU 75 3HD1 LEU 75 -1.373 -0.447 -7.717 588 HD21 LEU 75 3HD2 LEU 75 -2.223 -0.570 -11.158 589 HD22 LEU 75 1HD2 LEU 75 -3.473 0.667 -11.192 590 HD23 LEU 75 2HD2 LEU 75 -3.848 -0.968 -10.614 591 H GLN 76 H GLN 76 -6.832 2.985 -9.077 592 HA GLN 76 HA GLN 76 -8.413 2.181 -6.893 593 HB2 GLN 76 2HB GLN 76 -9.207 3.516 -9.499 594 HB3 GLN 76 1HB GLN 76 -10.349 3.194 -8.203 595 HG2 GLN 76 2HG GLN 76 -9.012 4.534 -6.634 596 HG3 GLN 76 1HG GLN 76 -7.804 4.811 -7.868 597 HE21 GLN 76 1HE2 GLN 76 -11.402 5.017 -7.882 598 HE22 GLN 76 2HE2 GLN 76 -11.469 6.581 -8.521 599 H VAL 77 H VAL 77 -7.769 0.789 -9.904 600 HA VAL 77 HA VAL 77 -10.013 -0.791 -10.373 601 HB VAL 77 HB VAL 77 -8.262 -0.328 -12.027 602 HG11 VAL 77 1HG1 VAL 77 -6.401 -0.806 -10.191 603 HG12 VAL 77 2HG1 VAL 77 -6.105 -1.082 -11.904 604 HG13 VAL 77 3HG1 VAL 77 -6.508 -2.441 -10.863 605 HG21 VAL 77 3HG2 VAL 77 -9.751 -2.581 -11.856 606 HG22 VAL 77 1HG2 VAL 77 -8.143 -3.307 -11.815 607 HG23 VAL 77 2HG2 VAL 77 -8.621 -2.283 -13.163 608 H GLY 78 H GLY 78 -7.240 -1.283 -8.207 609 HA2 GLY 78 2HA GLY 78 -7.795 -2.780 -6.228 610 HA3 GLY 78 1HA GLY 78 -8.438 -3.883 -7.409 611 H GLU 79 H GLU 79 -5.823 -2.763 -8.934 612 HA GLU 79 HA GLU 79 -4.383 -5.190 -8.470 613 HB2 GLU 79 2HB GLU 79 -4.506 -3.358 -10.555 614 HB3 GLU 79 1HB GLU 79 -2.885 -3.124 -9.909 615 HG2 GLU 79 2HG GLU 79 -3.973 -5.890 -10.491 616 HG3 GLU 79 1HG GLU 79 -3.219 -4.927 -11.738 617 H VAL 80 H VAL 80 -1.897 -5.026 -8.212 618 HA VAL 80 HA VAL 80 -1.332 -3.576 -5.733 619 HB VAL 80 HB VAL 80 0.514 -5.500 -7.164 620 HG11 VAL 80 1HG1 VAL 80 1.370 -5.915 -4.982 621 HG12 VAL 80 2HG1 VAL 80 0.213 -4.791 -4.259 622 HG13 VAL 80 3HG1 VAL 80 1.472 -4.191 -5.358 623 HG21 VAL 80 3HG2 VAL 80 -1.104 -7.087 -6.871 624 HG22 VAL 80 1HG2 VAL 80 -2.032 -6.082 -5.756 625 HG23 VAL 80 2HG2 VAL 80 -0.643 -7.003 -5.179 626 H SER 81 H SER 81 -0.075 -1.767 -5.761 627 HA SER 81 HA SER 81 0.733 -0.584 -8.232 628 HB2 SER 81 2HB SER 81 1.783 1.086 -6.623 629 HB3 SER 81 1HB SER 81 0.043 0.884 -6.524 630 HG SER 81 HG SER 81 0.295 -0.360 -4.747 631 H GLU 82 H GLU 82 2.793 -0.011 -8.900 632 HA GLU 82 HA GLU 82 4.835 -1.978 -8.537 633 HB2 GLU 82 2HB GLU 82 5.375 0.846 -9.481 634 HB3 GLU 82 1HB GLU 82 6.202 -0.615 -9.920 635 HG2 GLU 82 2HG GLU 82 4.944 -0.624 -11.774 636 HG3 GLU 82 1HG GLU 82 3.714 -1.276 -10.710 637 HA PRO 83 HA PRO 83 6.904 -0.533 -4.898 638 HB2 PRO 83 2HB PRO 83 9.203 0.442 -6.530 639 HB3 PRO 83 1HB PRO 83 9.198 -0.628 -5.116 640 HG2 PRO 83 2HG PRO 83 9.586 -1.623 -7.534 641 HG3 PRO 83 1HG PRO 83 8.602 -2.514 -6.371 642 HD2 PRO 83 2HD PRO 83 7.692 -0.978 -8.772 643 HD3 PRO 83 1HD PRO 83 6.999 -2.407 -7.999 644 H VAL 84 H VAL 84 6.429 1.371 -3.873 645 HA VAL 84 HA VAL 84 6.311 3.862 -5.438 646 HB VAL 84 HB VAL 84 5.053 3.101 -2.795 647 HG11 VAL 84 1HG1 VAL 84 5.033 5.653 -4.406 648 HG12 VAL 84 2HG1 VAL 84 5.269 5.421 -2.668 649 HG13 VAL 84 3HG1 VAL 84 3.672 5.223 -3.370 650 HG21 VAL 84 3HG2 VAL 84 3.854 3.433 -5.572 651 HG22 VAL 84 1HG2 VAL 84 2.932 3.148 -4.098 652 HG23 VAL 84 2HG2 VAL 84 4.036 1.913 -4.692 653 H LYS 85 H LYS 85 8.194 4.909 -5.267 654 HA LYS 85 HA LYS 85 9.861 4.644 -2.937 655 HB2 LYS 85 2HB LYS 85 10.772 4.941 -5.247 656 HB3 LYS 85 1HB LYS 85 10.160 6.590 -5.234 657 HG2 LYS 85 2HG LYS 85 11.532 7.146 -3.285 658 HG3 LYS 85 1HG LYS 85 12.124 5.484 -3.192 659 HD2 LYS 85 2HD LYS 85 13.098 5.712 -5.433 660 HD3 LYS 85 1HD LYS 85 12.534 7.380 -5.524 661 HE2 LYS 85 2HE LYS 85 14.889 7.326 -4.847 662 HE3 LYS 85 1HE LYS 85 13.913 7.940 -3.521 663 HZ1 LYS 85 3HZ LYS 85 14.726 5.072 -3.777 664 HZ2 LYS 85 1HZ LYS 85 14.079 5.843 -2.400 665 HZ3 LYS 85 2HZ LYS 85 15.605 6.254 -2.959 666 H SER 86 H SER 86 10.002 5.957 -1.201 667 HA SER 86 HA SER 86 8.832 8.615 -1.309 668 HB2 SER 86 2HB SER 86 7.499 8.287 0.587 669 HB3 SER 86 1HB SER 86 7.229 6.813 -0.314 670 HG SER 86 HG SER 86 8.137 5.747 1.256 671 H GLU 87 H GLU 87 9.558 9.793 0.687 672 HA GLU 87 HA GLU 87 12.368 9.678 0.939 673 HB2 GLU 87 2HB GLU 87 11.531 10.893 3.309 674 HB3 GLU 87 1HB GLU 87 11.862 11.707 1.784 675 HG2 GLU 87 2HG GLU 87 9.131 10.561 2.463 676 HG3 GLU 87 1HG GLU 87 9.571 12.199 2.842 677 H PHE 88 H PHE 88 9.764 8.269 2.728 678 HA PHE 88 HA PHE 88 11.201 7.183 4.920 679 HB2 PHE 88 2HB PHE 88 8.596 6.499 3.607 680 HB3 PHE 88 1HB PHE 88 9.200 5.563 4.950 681 HD1 PHE 88 1HD PHE 88 9.664 6.730 7.171 682 HD2 PHE 88 2HD PHE 88 7.667 8.706 3.907 683 HE1 PHE 88 1HE PHE 88 8.856 8.480 8.716 684 HE2 PHE 88 2HE PHE 88 6.864 10.450 5.458 685 HZ PHE 88 HZ PHE 88 7.456 10.343 7.868 686 H GLY 89 H GLY 89 10.315 5.835 1.763 687 HA2 GLY 89 2HA GLY 89 12.469 4.215 1.326 688 HA3 GLY 89 1HA GLY 89 11.418 3.259 2.368 689 H TYR 90 H TYR 90 10.881 1.730 0.752 690 HA TYR 90 HA TYR 90 9.330 2.827 -1.496 691 HB2 TYR 90 2HB TYR 90 10.793 0.199 -1.203 692 HB3 TYR 90 1HB TYR 90 9.752 0.604 -2.571 693 HD1 TYR 90 2HD TYR 90 12.914 1.429 -0.803 694 HD2 TYR 90 1HD TYR 90 10.462 2.233 -4.256 695 HE1 TYR 90 2HE TYR 90 14.780 2.640 -1.849 696 HE2 TYR 90 1HE TYR 90 12.341 3.447 -5.294 697 HH TYR 90 HH TYR 90 15.458 3.185 -4.371 698 H HIS 91 H HIS 91 7.197 2.397 -1.540 699 HA HIS 91 HA HIS 91 6.113 0.445 0.413 700 HB2 HIS 91 2HB HIS 91 4.515 2.628 -0.942 701 HB3 HIS 91 1HB HIS 91 4.081 1.646 0.436 702 HD1 HIS 91 1HD HIS 91 4.188 2.912 2.514 703 HD2 HIS 91 2HD HIS 91 7.121 4.185 -0.155 704 HE1 HIS 91 1HE HIS 91 5.445 4.805 3.668 705 H VAL 92 H VAL 92 4.473 -0.918 -0.255 706 HA VAL 92 HA VAL 92 3.936 -1.060 -3.158 707 HB VAL 92 HB VAL 92 4.138 -3.305 -1.129 708 HG11 VAL 92 1HG1 VAL 92 3.565 -4.759 -3.163 709 HG12 VAL 92 2HG1 VAL 92 3.005 -3.278 -3.937 710 HG13 VAL 92 3HG1 VAL 92 2.238 -3.846 -2.458 711 HG21 VAL 92 3HG2 VAL 92 5.739 -2.474 -3.549 712 HG22 VAL 92 1HG2 VAL 92 5.726 -4.161 -3.029 713 HG23 VAL 92 2HG2 VAL 92 6.301 -2.900 -1.939 714 H ILE 93 H ILE 93 1.806 -0.599 -3.555 715 HA ILE 93 HA ILE 93 -0.029 -0.787 -1.252 716 HB ILE 93 HB ILE 93 -0.020 1.201 -3.536 717 HG12 ILE 93 2HG1 ILE 93 0.328 1.669 -0.565 718 HG13 ILE 93 1HG1 ILE 93 1.697 1.534 -1.680 719 HG21 ILE 93 1HG2 ILE 93 -1.821 2.241 -1.942 720 HG22 ILE 93 2HG2 ILE 93 -2.010 0.582 -1.379 721 HG23 ILE 93 3HG2 ILE 93 -2.275 0.975 -3.078 722 HD11 ILE 93 3HD1 ILE 93 0.083 3.309 -2.978 723 HD12 ILE 93 1HD1 ILE 93 1.435 3.758 -1.931 724 HD13 ILE 93 2HD1 ILE 93 -0.226 3.725 -1.297 725 H LYS 94 H LYS 94 -1.719 -2.036 -1.507 726 HA LYS 94 HA LYS 94 -2.619 -2.660 -4.251 727 HB2 LYS 94 2HB LYS 94 -1.932 -4.741 -3.100 728 HB3 LYS 94 1HB LYS 94 -3.039 -4.355 -1.774 729 HG2 LYS 94 2HG LYS 94 -4.950 -4.361 -3.334 730 HG3 LYS 94 1HG LYS 94 -3.865 -4.742 -4.675 731 HD2 LYS 94 2HD LYS 94 -3.299 -6.883 -3.585 732 HD3 LYS 94 1HD LYS 94 -4.341 -6.455 -2.231 733 HE2 LYS 94 2HE LYS 94 -5.546 -7.930 -3.793 734 HE3 LYS 94 1HE LYS 94 -6.294 -6.339 -3.711 735 HZ1 LYS 94 3HZ LYS 94 -4.264 -6.871 -5.805 736 HZ2 LYS 94 1HZ LYS 94 -5.588 -5.805 -5.844 737 HZ3 LYS 94 2HZ LYS 94 -5.823 -7.456 -5.959 738 H ARG 95 H ARG 95 -4.759 -2.339 -4.656 739 HA ARG 95 HA ARG 95 -6.031 -0.536 -2.799 740 HB2 ARG 95 2HB ARG 95 -6.240 -0.855 -5.567 741 HB3 ARG 95 1HB ARG 95 -7.763 -1.475 -4.921 742 HG2 ARG 95 2HG ARG 95 -7.440 0.790 -3.404 743 HG3 ARG 95 1HG ARG 95 -6.793 1.298 -4.969 744 HD2 ARG 95 2HD ARG 95 -9.128 1.750 -5.034 745 HD3 ARG 95 1HD ARG 95 -8.861 0.284 -5.996 746 HE ARG 95 HE ARG 95 -9.475 -0.245 -3.227 747 HH11 ARG 95 1HH2 ARG 95 -10.807 0.399 -6.423 748 HH12 ARG 95 2HH2 ARG 95 -12.340 -0.248 -6.035 749 HH21 ARG 95 1HH1 ARG 95 -11.486 -1.094 -2.759 750 HH22 ARG 95 2HH1 ARG 95 -12.758 -1.129 -3.936 751 H LEU 96 H LEU 96 -7.855 -0.927 -1.630 752 HA LEU 96 HA LEU 96 -8.411 -3.754 -1.159 753 HB2 LEU 96 2HB LEU 96 -7.319 -2.485 0.667 754 HB3 LEU 96 1HB LEU 96 -8.677 -1.370 0.671 755 HG LEU 96 HG LEU 96 -10.205 -3.224 1.190 756 HD11 LEU 96 1HD1 LEU 96 -8.801 -5.316 2.123 757 HD12 LEU 96 2HD1 LEU 96 -7.656 -4.797 0.896 758 HD13 LEU 96 3HD1 LEU 96 -9.302 -5.238 0.443 759 HD21 LEU 96 3HD2 LEU 96 -9.378 -3.599 3.518 760 HD22 LEU 96 1HD2 LEU 96 -9.244 -1.913 3.018 761 HD23 LEU 96 2HD2 LEU 96 -7.817 -2.948 3.041 762 H GLY 97 H GLY 97 -10.452 -4.429 -1.135 763 HA2 GLY 97 2HA GLY 97 -12.483 -2.622 -2.237 764 HA3 GLY 97 1HA GLY 97 -12.528 -4.369 -2.254 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -14.208 19.277 -6.585 2 HA2 GLY 1 2HA GLY 1 -17.014 19.018 -7.121 3 HA3 GLY 1 1HA GLY 1 -16.106 17.566 -7.547 4 HA PRO 2 HA PRO 2 -17.336 17.536 -2.959 5 HB2 PRO 2 2HB PRO 2 -17.985 14.753 -3.849 6 HB3 PRO 2 1HB PRO 2 -18.884 15.816 -2.731 7 HG2 PRO 2 2HG PRO 2 -19.758 15.403 -5.151 8 HG3 PRO 2 1HG PRO 2 -19.787 17.051 -4.489 9 HD2 PRO 2 2HD PRO 2 -17.882 15.878 -6.496 10 HD3 PRO 2 1HD PRO 2 -18.600 17.503 -6.431 11 H MET 3 H MET 3 -15.893 16.853 -1.409 12 HA MET 3 HA MET 3 -13.617 15.184 -2.268 13 HB2 MET 3 2HB MET 3 -13.002 17.465 -1.682 14 HB3 MET 3 1HB MET 3 -13.765 17.293 -0.100 15 HG2 MET 3 2HG MET 3 -12.164 15.514 0.497 16 HG3 MET 3 1HG MET 3 -11.433 15.610 -1.101 17 HE1 MET 3 3HE MET 3 -11.230 18.619 2.334 18 HE2 MET 3 1HE MET 3 -11.299 16.860 2.508 19 HE3 MET 3 2HE MET 3 -12.665 17.740 1.836 20 H GLY 4 H GLY 4 -13.042 13.397 -1.142 21 HA2 GLY 4 2HA GLY 4 -13.014 11.802 0.488 22 HA3 GLY 4 1HA GLY 4 -13.932 12.889 1.536 23 H SER 5 H SER 5 -15.412 12.674 -1.422 24 HA SER 5 HA SER 5 -17.699 11.387 -0.381 25 HB2 SER 5 2HB SER 5 -17.221 11.742 -3.311 26 HB3 SER 5 1HB SER 5 -18.689 11.992 -2.395 27 HG SER 5 HG SER 5 -16.744 13.721 -3.022 28 H MET 6 H MET 6 -17.466 9.282 0.175 29 HA MET 6 HA MET 6 -16.718 7.095 0.103 30 HB2 MET 6 2HB MET 6 -18.432 7.382 -2.381 31 HB3 MET 6 1HB MET 6 -17.928 5.838 -1.689 32 HG2 MET 6 2HG MET 6 -19.043 6.432 0.446 33 HG3 MET 6 1HG MET 6 -19.521 7.973 -0.252 34 HE1 MET 6 3HE MET 6 -19.712 4.233 -2.134 35 HE2 MET 6 1HE MET 6 -21.012 3.794 -1.013 36 HE3 MET 6 2HE MET 6 -19.457 4.321 -0.396 37 H ALA 7 H ALA 7 -16.826 7.166 -3.356 38 HA ALA 7 HA ALA 7 -14.428 5.792 -3.681 39 HB1 ALA 7 1HB ALA 7 -14.843 5.801 -5.888 40 HB2 ALA 7 2HB ALA 7 -15.224 7.514 -5.954 41 HB3 ALA 7 3HB ALA 7 -16.434 6.353 -5.380 42 H ASP 8 H ASP 8 -14.921 9.135 -3.147 43 HA ASP 8 HA ASP 8 -12.512 10.107 -4.340 44 HB2 ASP 8 2HB ASP 8 -14.464 11.534 -3.457 45 HB3 ASP 8 1HB ASP 8 -13.750 11.264 -1.861 46 H LYS 9 H LYS 9 -13.322 8.631 -1.291 47 HA LYS 9 HA LYS 9 -10.653 8.794 -0.179 48 HB2 LYS 9 2HB LYS 9 -13.050 7.085 0.584 49 HB3 LYS 9 1HB LYS 9 -11.512 7.099 1.409 50 HG2 LYS 9 2HG LYS 9 -11.744 9.453 1.984 51 HG3 LYS 9 1HG LYS 9 -13.269 9.560 1.101 52 HD2 LYS 9 2HD LYS 9 -14.285 7.890 2.596 53 HD3 LYS 9 1HD LYS 9 -12.756 7.692 3.435 54 HE2 LYS 9 2HE LYS 9 -14.443 9.183 4.566 55 HE3 LYS 9 1HE LYS 9 -12.841 9.888 4.352 56 HZ1 LYS 9 3HZ LYS 9 -13.594 11.302 2.755 57 HZ2 LYS 9 1HZ LYS 9 -14.938 11.219 3.743 58 HZ3 LYS 9 2HZ LYS 9 -14.952 10.359 2.294 59 H ILE 10 H ILE 10 -9.288 6.943 -0.031 60 HA ILE 10 HA ILE 10 -9.762 4.953 -2.165 61 HB ILE 10 HB ILE 10 -7.165 5.683 -0.820 62 HG12 ILE 10 2HG1 ILE 10 -8.019 6.286 -3.629 63 HG13 ILE 10 1HG1 ILE 10 -8.160 7.502 -2.343 64 HG21 ILE 10 1HG2 ILE 10 -6.126 4.316 -2.530 65 HG22 ILE 10 2HG2 ILE 10 -7.661 4.090 -3.349 66 HG23 ILE 10 3HG2 ILE 10 -7.387 3.338 -1.776 67 HD11 ILE 10 3HD1 ILE 10 -5.525 6.312 -2.332 68 HD12 ILE 10 1HD1 ILE 10 -5.970 7.997 -2.588 69 HD13 ILE 10 2HD1 ILE 10 -5.911 6.883 -3.950 70 H LYS 11 H LYS 11 -10.127 2.931 -1.526 71 HA LYS 11 HA LYS 11 -9.646 2.162 1.290 72 HB2 LYS 11 2HB LYS 11 -11.013 0.466 -0.849 73 HB3 LYS 11 1HB LYS 11 -11.037 0.311 0.888 74 HG2 LYS 11 2HG LYS 11 -12.408 2.283 1.185 75 HG3 LYS 11 1HG LYS 11 -12.199 2.757 -0.481 76 HD2 LYS 11 2HD LYS 11 -14.373 1.751 -0.246 77 HD3 LYS 11 1HD LYS 11 -13.367 0.708 -1.231 78 HE2 LYS 11 2HE LYS 11 -12.894 -0.761 0.668 79 HE3 LYS 11 1HE LYS 11 -13.793 0.257 1.768 80 HZ1 LYS 11 3HZ LYS 11 -15.504 -1.077 1.233 81 HZ2 LYS 11 1HZ LYS 11 -14.631 -1.725 -0.035 82 HZ3 LYS 11 2HZ LYS 11 -15.567 -0.324 -0.279 83 H CYS 12 H CYS 12 -7.513 1.602 1.484 84 HA CYS 12 HA CYS 12 -6.499 -0.371 -0.431 85 HB2 CYS 12 2HB CYS 12 -5.062 0.968 -1.491 86 HB3 CYS 12 1HB CYS 12 -5.880 2.337 -0.746 87 HG CYS 12 HG CYS 12 -3.593 2.696 0.202 88 H SER 13 H SER 13 -4.283 -1.108 0.095 89 HA SER 13 HA SER 13 -3.682 -1.066 2.947 90 HB2 SER 13 2HB SER 13 -3.834 -3.560 1.228 91 HB3 SER 13 1HB SER 13 -3.284 -3.521 2.890 92 HG SER 13 HG SER 13 -5.813 -2.497 2.100 93 H HIS 14 H HIS 14 -1.394 -1.303 3.359 94 HA HIS 14 HA HIS 14 0.237 -1.408 0.932 95 HB2 HIS 14 2HB HIS 14 1.214 0.594 1.073 96 HB3 HIS 14 1HB HIS 14 -0.361 1.021 1.739 97 HD2 HIS 14 2HD HIS 14 0.273 -0.060 4.874 98 HE1 HIS 14 1HE HIS 14 3.506 2.639 4.720 99 HE2 HIS 14 2HE HIS 14 2.019 1.235 6.260 100 H ILE 15 H ILE 15 2.401 -1.787 1.091 101 HA ILE 15 HA ILE 15 3.395 -3.067 3.580 102 HB ILE 15 HB ILE 15 3.840 -3.792 0.672 103 HG12 ILE 15 2HG1 ILE 15 2.623 -5.456 2.876 104 HG13 ILE 15 1HG1 ILE 15 1.662 -4.506 1.783 105 HG21 ILE 15 1HG2 ILE 15 5.661 -4.956 1.225 106 HG22 ILE 15 2HG2 ILE 15 4.820 -5.760 2.532 107 HG23 ILE 15 3HG2 ILE 15 5.628 -4.217 2.828 108 HD11 ILE 15 3HD1 ILE 15 2.440 -5.746 -0.124 109 HD12 ILE 15 1HD1 ILE 15 1.935 -6.907 1.100 110 HD13 ILE 15 2HD1 ILE 15 3.655 -6.584 0.852 111 H LEU 16 H LEU 16 5.212 -2.020 4.307 112 HA LEU 16 HA LEU 16 6.585 -0.158 2.454 113 HB2 LEU 16 2HB LEU 16 5.610 0.504 4.824 114 HB3 LEU 16 1HB LEU 16 7.079 -0.226 5.399 115 HG LEU 16 HG LEU 16 7.130 1.892 3.227 116 HD11 LEU 16 1HD1 LEU 16 7.216 2.208 6.217 117 HD12 LEU 16 2HD1 LEU 16 6.257 3.097 5.031 118 HD13 LEU 16 3HD1 LEU 16 7.998 3.353 5.133 119 HD21 LEU 16 3HD2 LEU 16 9.163 0.353 4.797 120 HD22 LEU 16 1HD2 LEU 16 9.521 2.045 4.457 121 HD23 LEU 16 2HD2 LEU 16 9.233 0.944 3.131 122 H VAL 17 H VAL 17 8.518 -0.743 1.701 123 HA VAL 17 HA VAL 17 10.268 -2.424 3.345 124 HB VAL 17 HB VAL 17 10.908 -3.698 1.300 125 HG11 VAL 17 1HG1 VAL 17 9.233 -4.542 2.987 126 HG12 VAL 17 2HG1 VAL 17 9.021 -5.195 1.367 127 HG13 VAL 17 3HG1 VAL 17 7.953 -3.913 1.942 128 HG21 VAL 17 3HG2 VAL 17 9.458 -3.635 -0.644 129 HG22 VAL 17 1HG2 VAL 17 10.048 -2.004 -0.346 130 HG23 VAL 17 2HG2 VAL 17 8.402 -2.444 0.117 131 H LYS 18 H LYS 18 12.494 -2.224 2.797 132 HA LYS 18 HA LYS 18 13.132 0.451 1.862 133 HB2 LYS 18 2HB LYS 18 15.482 -0.175 2.460 134 HB3 LYS 18 1HB LYS 18 14.354 -0.201 3.808 135 HG2 LYS 18 2HG LYS 18 14.410 -2.817 2.494 136 HG3 LYS 18 1HG LYS 18 16.029 -2.309 2.935 137 HD2 LYS 18 2HD LYS 18 14.994 -1.710 5.255 138 HD3 LYS 18 1HD LYS 18 13.654 -2.723 4.729 139 HE2 LYS 18 2HE LYS 18 15.012 -4.296 5.790 140 HE3 LYS 18 1HE LYS 18 15.522 -4.443 4.108 141 HZ1 LYS 18 3HZ LYS 18 17.046 -3.731 6.327 142 HZ2 LYS 18 1HZ LYS 18 17.061 -2.408 5.257 143 HZ3 LYS 18 2HZ LYS 18 17.535 -3.957 4.728 144 H LYS 19 H LYS 19 13.108 -2.746 0.593 145 HA LYS 19 HA LYS 19 14.887 -1.973 -1.634 146 HB2 LYS 19 2HB LYS 19 13.821 -4.650 -0.778 147 HB3 LYS 19 1HB LYS 19 14.934 -4.386 -2.119 148 HG2 LYS 19 2HG LYS 19 16.602 -3.422 -0.528 149 HG3 LYS 19 1HG LYS 19 15.483 -3.726 0.796 150 HD2 LYS 19 2HD LYS 19 15.497 -6.169 0.169 151 HD3 LYS 19 1HD LYS 19 16.749 -5.829 -0.985 152 HE2 LYS 19 2HE LYS 19 16.998 -5.140 1.951 153 HE3 LYS 19 1HE LYS 19 17.599 -6.627 1.261 154 HZ1 LYS 19 3HZ LYS 19 18.765 -4.007 1.117 155 HZ2 LYS 19 1HZ LYS 19 18.634 -4.712 -0.416 156 HZ3 LYS 19 2HZ LYS 19 19.426 -5.503 0.837 157 H GLN 20 H GLN 20 14.172 -1.853 -3.678 158 HA GLN 20 HA GLN 20 11.385 -1.757 -4.296 159 HB2 GLN 20 2HB GLN 20 13.830 -1.977 -6.086 160 HB3 GLN 20 1HB GLN 20 12.183 -1.732 -6.665 161 HG2 GLN 20 2HG GLN 20 12.019 0.373 -5.405 162 HG3 GLN 20 1HG GLN 20 13.651 0.137 -4.775 163 HE21 GLN 20 1HE2 GLN 20 13.999 2.336 -5.940 164 HE22 GLN 20 2HE2 GLN 20 14.414 2.264 -7.576 165 H GLY 21 H GLY 21 13.952 -4.125 -4.506 166 HA2 GLY 21 2HA GLY 21 12.636 -6.111 -5.992 167 HA3 GLY 21 1HA GLY 21 13.949 -6.410 -4.845 168 H GLU 22 H GLU 22 12.680 -5.457 -2.519 169 HA GLU 22 HA GLU 22 11.130 -7.718 -1.766 170 HB2 GLU 22 2HB GLU 22 11.541 -5.014 -0.451 171 HB3 GLU 22 1HB GLU 22 10.643 -6.342 0.266 172 HG2 GLU 22 2HG GLU 22 12.574 -7.783 0.246 173 HG3 GLU 22 1HG GLU 22 13.525 -6.613 -0.650 174 H ALA 23 H ALA 23 10.368 -4.388 -2.601 175 HA ALA 23 HA ALA 23 7.579 -4.548 -2.216 176 HB1 ALA 23 1HB ALA 23 8.245 -2.355 -2.484 177 HB2 ALA 23 2HB ALA 23 7.635 -2.681 -4.099 178 HB3 ALA 23 3HB ALA 23 9.373 -2.741 -3.783 179 H LEU 24 H LEU 24 9.567 -5.128 -5.075 180 HA LEU 24 HA LEU 24 7.411 -5.816 -6.787 181 HB2 LEU 24 2HB LEU 24 10.339 -6.564 -6.887 182 HB3 LEU 24 1HB LEU 24 9.181 -7.020 -8.132 183 HG LEU 24 HG LEU 24 9.645 -4.144 -7.279 184 HD11 LEU 24 1HD1 LEU 24 10.771 -5.729 -9.585 185 HD12 LEU 24 2HD1 LEU 24 11.680 -5.031 -8.239 186 HD13 LEU 24 3HD1 LEU 24 10.895 -3.975 -9.421 187 HD21 LEU 24 3HD2 LEU 24 8.248 -5.438 -9.658 188 HD22 LEU 24 1HD2 LEU 24 8.514 -3.715 -9.481 189 HD23 LEU 24 2HD2 LEU 24 7.441 -4.561 -8.369 190 H ALA 25 H ALA 25 9.414 -7.685 -4.581 191 HA ALA 25 HA ALA 25 8.563 -10.236 -5.378 192 HB1 ALA 25 1HB ALA 25 9.479 -11.062 -3.371 193 HB2 ALA 25 2HB ALA 25 9.205 -9.550 -2.504 194 HB3 ALA 25 3HB ALA 25 10.458 -9.645 -3.733 195 H VAL 26 H VAL 26 7.178 -8.044 -2.950 196 HA VAL 26 HA VAL 26 5.065 -9.866 -2.304 197 HB VAL 26 HB VAL 26 3.988 -8.066 -1.113 198 HG11 VAL 26 1HG1 VAL 26 6.158 -9.114 -0.233 199 HG12 VAL 26 2HG1 VAL 26 5.702 -7.557 0.474 200 HG13 VAL 26 3HG1 VAL 26 6.941 -7.631 -0.768 201 HG21 VAL 26 3HG2 VAL 26 4.645 -5.774 -1.258 202 HG22 VAL 26 1HG2 VAL 26 4.464 -6.307 -2.926 203 HG23 VAL 26 2HG2 VAL 26 6.074 -6.160 -2.200 204 H GLN 27 H GLN 27 5.463 -7.268 -4.616 205 HA GLN 27 HA GLN 27 2.841 -7.105 -5.551 206 HB2 GLN 27 2HB GLN 27 4.274 -5.485 -6.427 207 HB3 GLN 27 1HB GLN 27 5.543 -6.642 -6.809 208 HG2 GLN 27 2HG GLN 27 4.557 -5.982 -8.886 209 HG3 GLN 27 1HG GLN 27 4.005 -7.613 -8.539 210 HE21 GLN 27 1HE2 GLN 27 2.969 -4.189 -8.130 211 HE22 GLN 27 2HE2 GLN 27 1.317 -4.521 -8.276 212 H GLU 28 H GLU 28 5.476 -9.263 -6.565 213 HA GLU 28 HA GLU 28 3.845 -10.758 -8.381 214 HB2 GLU 28 2HB GLU 28 6.478 -11.446 -7.049 215 HB3 GLU 28 1HB GLU 28 5.683 -12.460 -8.244 216 HG2 GLU 28 2HG GLU 28 5.757 -10.616 -9.888 217 HG3 GLU 28 1HG GLU 28 6.535 -9.585 -8.704 218 H ARG 29 H ARG 29 4.765 -11.135 -5.015 219 HA ARG 29 HA ARG 29 3.821 -13.734 -4.638 220 HB2 ARG 29 2HB ARG 29 5.307 -12.373 -3.056 221 HB3 ARG 29 1HB ARG 29 3.814 -11.616 -2.491 222 HG2 ARG 29 2HG ARG 29 4.207 -13.423 -0.994 223 HG3 ARG 29 1HG ARG 29 2.917 -13.970 -2.056 224 HD2 ARG 29 2HD ARG 29 5.092 -14.816 -3.493 225 HD3 ARG 29 1HD ARG 29 5.729 -14.900 -1.864 226 HE ARG 29 HE ARG 29 3.349 -16.143 -1.599 227 HH11 ARG 29 1HH2 ARG 29 6.011 -16.443 -3.835 228 HH12 ARG 29 2HH2 ARG 29 5.768 -18.091 -4.172 229 HH21 ARG 29 1HH1 ARG 29 2.984 -18.370 -2.053 230 HH22 ARG 29 2HH1 ARG 29 4.001 -19.224 -3.137 231 H LEU 30 H LEU 30 2.140 -10.637 -4.325 232 HA LEU 30 HA LEU 30 -0.206 -11.637 -3.135 233 HB2 LEU 30 2HB LEU 30 0.538 -9.155 -4.598 234 HB3 LEU 30 1HB LEU 30 -1.172 -9.497 -4.463 235 HG LEU 30 HG LEU 30 -0.085 -8.085 -2.602 236 HD11 LEU 30 1HD1 LEU 30 -2.146 -10.089 -2.555 237 HD12 LEU 30 2HD1 LEU 30 -2.067 -8.608 -1.635 238 HD13 LEU 30 3HD1 LEU 30 -1.341 -10.081 -0.999 239 HD21 LEU 30 3HD2 LEU 30 0.646 -10.736 -1.360 240 HD22 LEU 30 1HD2 LEU 30 1.205 -9.125 -0.949 241 HD23 LEU 30 2HD2 LEU 30 1.830 -9.918 -2.382 242 H LYS 31 H LYS 31 0.820 -11.343 -6.460 243 HA LYS 31 HA LYS 31 -1.679 -12.031 -7.581 244 HB2 LYS 31 2HB LYS 31 1.084 -12.432 -8.761 245 HB3 LYS 31 1HB LYS 31 -0.438 -12.480 -9.642 246 HG2 LYS 31 2HG LYS 31 0.801 -10.068 -8.270 247 HG3 LYS 31 1HG LYS 31 0.462 -10.273 -9.983 248 HD2 LYS 31 2HD LYS 31 -2.033 -10.669 -9.006 249 HD3 LYS 31 1HD LYS 31 -1.412 -9.635 -7.755 250 HE2 LYS 31 2HE LYS 31 -1.625 -8.977 -10.703 251 HE3 LYS 31 1HE LYS 31 -2.402 -8.174 -9.360 252 HZ1 LYS 31 3HZ LYS 31 0.194 -7.765 -10.451 253 HZ2 LYS 31 1HZ LYS 31 0.302 -7.824 -8.752 254 HZ3 LYS 31 2HZ LYS 31 -0.782 -6.792 -9.525 255 H ALA 32 H ALA 32 0.582 -13.908 -5.844 256 HA ALA 32 HA ALA 32 -0.104 -16.448 -7.004 257 HB1 ALA 32 1HB ALA 32 2.015 -15.952 -5.647 258 HB2 ALA 32 2HB ALA 32 1.131 -17.418 -5.230 259 HB3 ALA 32 3HB ALA 32 0.977 -15.988 -4.219 260 H GLY 33 H GLY 33 -1.734 -14.195 -5.149 261 HA2 GLY 33 2HA GLY 33 -3.966 -14.366 -4.466 262 HA3 GLY 33 1HA GLY 33 -3.844 -16.119 -4.519 263 H GLU 34 H GLU 34 -1.191 -14.673 -2.970 264 HA GLU 34 HA GLU 34 -2.121 -15.664 -0.416 265 HB2 GLU 34 2HB GLU 34 0.545 -14.520 -1.268 266 HB3 GLU 34 1HB GLU 34 0.192 -15.083 0.363 267 HG2 GLU 34 2HG GLU 34 -0.466 -17.313 -0.581 268 HG3 GLU 34 1HG GLU 34 -0.012 -16.729 -2.162 269 H LYS 35 H LYS 35 -2.131 -14.439 1.512 270 HA LYS 35 HA LYS 35 -3.634 -12.128 1.171 271 HB2 LYS 35 2HB LYS 35 -3.511 -13.781 3.198 272 HB3 LYS 35 1HB LYS 35 -2.319 -12.636 3.817 273 HG2 LYS 35 2HG LYS 35 -3.935 -10.788 3.645 274 HG3 LYS 35 1HG LYS 35 -5.120 -11.857 2.902 275 HD2 LYS 35 2HD LYS 35 -5.111 -13.258 4.977 276 HD3 LYS 35 1HD LYS 35 -4.047 -12.089 5.743 277 HE2 LYS 35 2HE LYS 35 -6.862 -11.571 4.720 278 HE3 LYS 35 1HE LYS 35 -6.349 -11.631 6.390 279 HZ1 LYS 35 3HZ LYS 35 -4.954 -9.604 6.013 280 HZ2 LYS 35 1HZ LYS 35 -6.553 -9.380 5.631 281 HZ3 LYS 35 2HZ LYS 35 -5.467 -9.558 4.398 282 H PHE 36 H PHE 36 -3.249 -10.073 1.118 283 HA PHE 36 HA PHE 36 -0.732 -8.911 0.667 284 HB2 PHE 36 2HB PHE 36 -3.014 -7.937 0.084 285 HB3 PHE 36 1HB PHE 36 -3.211 -7.570 1.786 286 HD1 PHE 36 1HD PHE 36 -1.164 -6.850 -1.227 287 HD2 PHE 36 2HD PHE 36 -2.052 -5.743 2.834 288 HE1 PHE 36 1HE PHE 36 0.120 -4.776 -1.519 289 HE2 PHE 36 2HE PHE 36 -0.760 -3.657 2.531 290 HZ PHE 36 HZ PHE 36 0.332 -3.185 0.320 291 H GLY 37 H GLY 37 -2.789 -9.131 3.514 292 HA2 GLY 37 2HA GLY 37 -1.159 -7.725 5.291 293 HA3 GLY 37 1HA GLY 37 -2.342 -8.947 5.770 294 H LYS 38 H LYS 38 -1.062 -11.138 4.336 295 HA LYS 38 HA LYS 38 0.817 -11.889 6.315 296 HB2 LYS 38 2HB LYS 38 -0.370 -13.602 4.995 297 HB3 LYS 38 1HB LYS 38 0.488 -13.073 3.540 298 HG2 LYS 38 2HG LYS 38 2.658 -13.639 4.588 299 HG3 LYS 38 1HG LYS 38 1.817 -14.114 6.058 300 HD2 LYS 38 2HD LYS 38 0.688 -15.925 4.873 301 HD3 LYS 38 1HD LYS 38 1.417 -15.419 3.352 302 HE2 LYS 38 2HE LYS 38 2.558 -17.376 4.622 303 HE3 LYS 38 1HE LYS 38 3.590 -16.091 4.020 304 HZ1 LYS 38 3HZ LYS 38 2.535 -15.694 6.725 305 HZ2 LYS 38 1HZ LYS 38 4.062 -15.367 6.078 306 HZ3 LYS 38 2HZ LYS 38 3.652 -16.936 6.545 307 H LEU 39 H LEU 39 1.195 -10.721 2.999 308 HA LEU 39 HA LEU 39 4.036 -10.688 3.039 309 HB2 LEU 39 2HB LEU 39 1.992 -9.155 1.415 310 HB3 LEU 39 1HB LEU 39 3.688 -8.785 1.298 311 HG LEU 39 HG LEU 39 3.072 -10.401 -0.454 312 HD11 LEU 39 1HD1 LEU 39 5.261 -10.555 1.182 313 HD12 LEU 39 2HD1 LEU 39 5.039 -11.454 -0.306 314 HD13 LEU 39 3HD1 LEU 39 4.649 -12.209 1.238 315 HD21 LEU 39 3HD2 LEU 39 2.455 -12.358 1.794 316 HD22 LEU 39 1HD2 LEU 39 2.266 -12.616 0.062 317 HD23 LEU 39 2HD2 LEU 39 1.218 -11.480 0.894 318 H ALA 40 H ALA 40 1.578 -8.350 3.950 319 HA ALA 40 HA ALA 40 3.223 -6.175 4.531 320 HB1 ALA 40 1HB ALA 40 1.411 -5.219 5.661 321 HB2 ALA 40 2HB ALA 40 0.766 -6.783 6.160 322 HB3 ALA 40 3HB ALA 40 0.648 -6.273 4.473 323 H LYS 41 H LYS 41 2.067 -8.718 6.686 324 HA LYS 41 HA LYS 41 3.603 -7.851 8.918 325 HB2 LYS 41 2HB LYS 41 2.328 -10.517 8.287 326 HB3 LYS 41 1HB LYS 41 3.188 -10.193 9.794 327 HG2 LYS 41 2HG LYS 41 1.666 -8.296 10.260 328 HG3 LYS 41 1HG LYS 41 0.793 -8.621 8.762 329 HD2 LYS 41 2HD LYS 41 0.171 -10.854 9.595 330 HD3 LYS 41 1HD LYS 41 1.047 -10.551 11.097 331 HE2 LYS 41 2HE LYS 41 -0.445 -8.595 11.560 332 HE3 LYS 41 1HE LYS 41 -1.308 -8.935 10.073 333 HZ1 LYS 41 3HZ LYS 41 -2.444 -10.600 11.012 334 HZ2 LYS 41 1HZ LYS 41 -1.996 -9.918 12.469 335 HZ3 LYS 41 2HZ LYS 41 -1.134 -11.236 11.851 336 H GLU 42 H GLU 42 4.250 -10.003 6.252 337 HA GLU 42 HA GLU 42 6.607 -11.138 7.345 338 HB2 GLU 42 2HB GLU 42 4.998 -11.759 5.179 339 HB3 GLU 42 1HB GLU 42 6.419 -11.151 4.381 340 HG2 GLU 42 2HG GLU 42 6.956 -13.318 4.594 341 HG3 GLU 42 1HG GLU 42 7.682 -12.720 6.084 342 H LEU 43 H LEU 43 6.605 -9.289 4.306 343 HA LEU 43 HA LEU 43 9.374 -8.692 4.491 344 HB2 LEU 43 2HB LEU 43 7.195 -7.736 2.674 345 HB3 LEU 43 1HB LEU 43 8.796 -7.026 2.641 346 HG LEU 43 HG LEU 43 9.750 -9.365 2.421 347 HD11 LEU 43 1HD1 LEU 43 6.826 -9.901 2.401 348 HD12 LEU 43 2HD1 LEU 43 8.149 -10.883 3.021 349 HD13 LEU 43 3HD1 LEU 43 7.815 -10.851 1.284 350 HD21 LEU 43 3HD2 LEU 43 8.471 -7.624 0.545 351 HD22 LEU 43 1HD2 LEU 43 8.292 -9.283 -0.036 352 HD23 LEU 43 2HD2 LEU 43 9.896 -8.629 0.305 353 H SER 44 H SER 44 6.537 -6.697 4.957 354 HA SER 44 HA SER 44 7.672 -4.324 4.700 355 HB2 SER 44 2HB SER 44 5.522 -4.670 6.727 356 HB3 SER 44 1HB SER 44 5.807 -3.430 5.462 357 HG SER 44 HG SER 44 4.782 -5.968 5.393 358 H ILE 45 H ILE 45 8.461 -2.688 6.006 359 HA ILE 45 HA ILE 45 9.529 -3.531 8.626 360 HB ILE 45 HB ILE 45 11.016 -1.586 8.449 361 HG12 ILE 45 2HG1 ILE 45 9.885 -1.268 5.660 362 HG13 ILE 45 1HG1 ILE 45 9.452 -0.203 7.008 363 HG21 ILE 45 1HG2 ILE 45 11.591 -3.872 7.421 364 HG22 ILE 45 2HG2 ILE 45 12.489 -2.490 6.802 365 HG23 ILE 45 3HG2 ILE 45 11.164 -3.154 5.865 366 HD11 ILE 45 3HD1 ILE 45 11.184 0.998 6.058 367 HD12 ILE 45 1HD1 ILE 45 12.028 -0.448 5.512 368 HD13 ILE 45 2HD1 ILE 45 12.096 0.020 7.211 369 H ASP 46 H ASP 46 6.937 -2.008 7.284 370 HA ASP 46 HA ASP 46 6.612 0.045 9.322 371 HB2 ASP 46 2HB ASP 46 5.796 0.470 7.031 372 HB3 ASP 46 1HB ASP 46 4.680 -0.887 7.173 373 H GLY 47 H GLY 47 6.508 -1.073 11.233 374 HA2 GLY 47 2HA GLY 47 5.091 -3.426 11.718 375 HA3 GLY 47 1HA GLY 47 5.555 -2.244 12.933 376 H GLY 48 H GLY 48 4.148 -0.023 12.111 377 HA2 GLY 48 2HA GLY 48 1.645 -0.389 13.271 378 HA3 GLY 48 1HA GLY 48 2.053 0.969 12.232 379 H SER 49 H SER 49 2.617 -0.453 9.872 380 HA SER 49 HA SER 49 -0.064 -1.052 8.966 381 HB2 SER 49 2HB SER 49 2.596 -1.267 7.545 382 HB3 SER 49 1HB SER 49 1.033 -1.514 6.797 383 HG SER 49 HG SER 49 2.235 0.823 7.782 384 H ALA 50 H ALA 50 2.774 -2.883 9.964 385 HA ALA 50 HA ALA 50 1.908 -5.418 8.969 386 HB1 ALA 50 1HB ALA 50 3.722 -4.891 11.327 387 HB2 ALA 50 2HB ALA 50 4.277 -4.886 9.650 388 HB3 ALA 50 3HB ALA 50 3.623 -6.356 10.366 389 H LYS 51 H LYS 51 1.595 -3.729 12.025 390 HA LYS 51 HA LYS 51 0.240 -5.773 13.460 391 HB2 LYS 51 2HB LYS 51 0.066 -2.751 13.755 392 HB3 LYS 51 1HB LYS 51 -0.530 -3.917 14.925 393 HG2 LYS 51 2HG LYS 51 2.381 -3.703 14.055 394 HG3 LYS 51 1HG LYS 51 1.729 -3.009 15.524 395 HD2 LYS 51 2HD LYS 51 1.088 -5.298 16.301 396 HD3 LYS 51 1HD LYS 51 1.745 -5.963 14.814 397 HE2 LYS 51 2HE LYS 51 3.430 -6.174 16.543 398 HE3 LYS 51 1HE LYS 51 3.975 -4.987 15.373 399 HZ1 LYS 51 3HZ LYS 51 4.226 -3.640 17.147 400 HZ2 LYS 51 1HZ LYS 51 3.361 -4.657 18.149 401 HZ3 LYS 51 2HZ LYS 51 2.558 -3.509 17.218 402 H ARG 52 H ARG 52 -0.698 -3.376 11.174 403 HA ARG 52 HA ARG 52 -3.553 -4.012 11.437 404 HB2 ARG 52 2HB ARG 52 -2.086 -1.921 9.821 405 HB3 ARG 52 1HB ARG 52 -3.830 -2.129 9.862 406 HG2 ARG 52 2HG ARG 52 -3.898 -1.694 12.265 407 HG3 ARG 52 1HG ARG 52 -2.143 -1.567 12.339 408 HD2 ARG 52 2HD ARG 52 -3.921 0.239 10.664 409 HD3 ARG 52 1HD ARG 52 -3.279 0.639 12.252 410 HE ARG 52 HE ARG 52 -1.096 -0.121 10.768 411 HH11 ARG 52 1HH2 ARG 52 -3.616 2.324 10.625 412 HH12 ARG 52 2HH2 ARG 52 -2.664 3.465 9.788 413 HH21 ARG 52 1HH1 ARG 52 0.198 1.497 9.557 414 HH22 ARG 52 2HH1 ARG 52 -0.517 2.985 9.178 415 H ASP 53 H ASP 53 -1.214 -5.648 10.163 416 HA ASP 53 HA ASP 53 -0.719 -6.758 8.280 417 HB2 ASP 53 2HB ASP 53 -2.103 -8.548 8.033 418 HB3 ASP 53 1HB ASP 53 -2.895 -7.858 9.438 419 H GLY 54 H GLY 54 -0.872 -4.174 7.738 420 HA2 GLY 54 2HA GLY 54 -0.551 -2.888 5.834 421 HA3 GLY 54 1HA GLY 54 -1.040 -4.276 4.881 422 H SER 55 H SER 55 -3.544 -4.173 6.831 423 HA SER 55 HA SER 55 -5.247 -2.977 4.915 424 HB2 SER 55 2HB SER 55 -5.825 -3.818 7.758 425 HB3 SER 55 1HB SER 55 -7.022 -3.432 6.544 426 HG SER 55 HG SER 55 -5.336 -5.661 6.809 427 H LEU 56 H LEU 56 -4.314 -0.895 4.732 428 HA LEU 56 HA LEU 56 -4.322 1.063 6.793 429 HB2 LEU 56 2HB LEU 56 -4.626 1.423 3.793 430 HB3 LEU 56 1HB LEU 56 -4.330 2.702 4.945 431 HG LEU 56 HG LEU 56 -2.477 0.335 4.559 432 HD11 LEU 56 1HD1 LEU 56 -2.301 1.546 2.600 433 HD12 LEU 56 2HD1 LEU 56 -1.011 2.242 3.599 434 HD13 LEU 56 3HD1 LEU 56 -2.537 3.099 3.392 435 HD21 LEU 56 3HD2 LEU 56 -1.083 2.441 5.716 436 HD22 LEU 56 1HD2 LEU 56 -1.712 1.045 6.575 437 HD23 LEU 56 2HD2 LEU 56 -2.645 2.543 6.517 438 H GLY 57 H GLY 57 -6.637 0.017 4.374 439 HA2 GLY 57 2HA GLY 57 -8.985 -0.044 4.668 440 HA3 GLY 57 1HA GLY 57 -8.796 1.116 5.988 441 H TYR 58 H TYR 58 -10.388 2.484 5.150 442 HA TYR 58 HA TYR 58 -9.927 3.660 2.509 443 HB2 TYR 58 2HB TYR 58 -12.024 4.918 4.110 444 HB3 TYR 58 1HB TYR 58 -12.090 4.262 2.511 445 HD1 TYR 58 2HD TYR 58 -11.375 1.404 2.859 446 HD2 TYR 58 1HD TYR 58 -13.842 3.949 5.302 447 HE1 TYR 58 2HE TYR 58 -12.613 -0.575 3.696 448 HE2 TYR 58 1HE TYR 58 -15.064 1.971 6.124 449 HH TYR 58 HH TYR 58 -14.350 -0.659 6.336 450 H PHE 59 H PHE 59 -9.290 5.738 2.177 451 HA PHE 59 HA PHE 59 -9.014 7.523 4.438 452 HB2 PHE 59 2HB PHE 59 -6.630 8.017 3.943 453 HB3 PHE 59 1HB PHE 59 -6.874 6.398 4.573 454 HD1 PHE 59 1HD PHE 59 -6.090 8.379 1.547 455 HD2 PHE 59 2HD PHE 59 -6.570 4.425 3.171 456 HE1 PHE 59 1HE PHE 59 -5.009 7.421 -0.452 457 HE2 PHE 59 2HE PHE 59 -5.491 3.469 1.182 458 HZ PHE 59 HZ PHE 59 -4.700 4.962 -0.647 459 H GLY 60 H GLY 60 -8.754 9.708 3.845 460 HA2 GLY 60 2HA GLY 60 -9.973 10.305 1.313 461 HA3 GLY 60 1HA GLY 60 -9.556 11.462 2.568 462 H ARG 61 H ARG 61 -9.099 12.156 0.007 463 HA ARG 61 HA ARG 61 -6.479 11.499 -0.894 464 HB2 ARG 61 2HB ARG 61 -8.371 13.738 -1.650 465 HB3 ARG 61 1HB ARG 61 -6.898 13.310 -2.516 466 HG2 ARG 61 2HG ARG 61 -7.776 11.076 -3.015 467 HG3 ARG 61 1HG ARG 61 -9.208 11.393 -2.049 468 HD2 ARG 61 2HD ARG 61 -9.823 11.749 -4.354 469 HD3 ARG 61 1HD ARG 61 -9.791 13.277 -3.545 470 HE ARG 61 HE ARG 61 -7.869 13.907 -4.752 471 HH11 ARG 61 1HH2 ARG 61 -8.900 10.650 -5.464 472 HH12 ARG 61 2HH2 ARG 61 -7.895 10.463 -6.833 473 HH21 ARG 61 1HH1 ARG 61 -6.499 13.666 -6.596 474 HH22 ARG 61 2HH1 ARG 61 -6.495 12.207 -7.481 475 H GLY 62 H GLY 62 -4.638 12.653 -0.638 476 HA2 GLY 62 2HA GLY 62 -3.384 14.519 -0.213 477 HA3 GLY 62 1HA GLY 62 -4.693 15.241 0.709 478 H LYS 63 H LYS 63 -5.097 12.710 2.201 479 HA LYS 63 HA LYS 63 -3.526 13.350 4.449 480 HB2 LYS 63 2HB LYS 63 -5.567 11.304 3.824 481 HB3 LYS 63 1HB LYS 63 -4.411 10.857 5.063 482 HG2 LYS 63 2HG LYS 63 -6.227 11.981 6.161 483 HG3 LYS 63 1HG LYS 63 -4.810 13.033 6.211 484 HD2 LYS 63 2HD LYS 63 -6.099 13.750 3.803 485 HD3 LYS 63 1HD LYS 63 -7.419 13.494 4.929 486 HE2 LYS 63 2HE LYS 63 -5.162 15.469 5.098 487 HE3 LYS 63 1HE LYS 63 -6.889 15.748 5.290 488 HZ1 LYS 63 3HZ LYS 63 -4.959 15.083 7.288 489 HZ2 LYS 63 1HZ LYS 63 -6.205 13.951 7.288 490 HZ3 LYS 63 2HZ LYS 63 -6.576 15.557 7.470 491 H MET 64 H MET 64 -3.129 10.818 2.068 492 HA MET 64 HA MET 64 -0.904 9.601 3.470 493 HB2 MET 64 2HB MET 64 -1.470 9.077 0.566 494 HB3 MET 64 1HB MET 64 -0.929 7.982 1.825 495 HG2 MET 64 2HG MET 64 -3.730 9.176 1.737 496 HG3 MET 64 1HG MET 64 -3.265 7.600 1.129 497 HE1 MET 64 3HE MET 64 -3.673 5.314 3.728 498 HE2 MET 64 1HE MET 64 -2.111 5.580 2.931 499 HE3 MET 64 2HE MET 64 -3.620 5.806 2.057 500 H VAL 65 H VAL 65 1.287 9.441 2.449 501 HA VAL 65 HA VAL 65 2.184 12.013 1.654 502 HB VAL 65 HB VAL 65 4.370 11.013 1.293 503 HG11 VAL 65 1HG1 VAL 65 3.077 9.603 3.637 504 HG12 VAL 65 2HG1 VAL 65 3.514 11.315 3.635 505 HG13 VAL 65 3HG1 VAL 65 4.765 10.087 3.467 506 HG21 VAL 65 3HG2 VAL 65 2.773 8.472 1.275 507 HG22 VAL 65 1HG2 VAL 65 4.481 8.426 1.696 508 HG23 VAL 65 2HG2 VAL 65 4.010 9.000 0.103 509 H LYS 66 H LYS 66 2.547 12.831 -0.281 510 HA LYS 66 HA LYS 66 0.773 12.298 -2.240 511 HB2 LYS 66 2HB LYS 66 3.300 13.862 -2.229 512 HB3 LYS 66 1HB LYS 66 2.633 13.448 -3.802 513 HG2 LYS 66 2HG LYS 66 1.650 15.536 -3.192 514 HG3 LYS 66 1HG LYS 66 0.386 14.329 -3.027 515 HD2 LYS 66 2HD LYS 66 1.641 14.431 -0.453 516 HD3 LYS 66 1HD LYS 66 1.576 16.074 -1.015 517 HE2 LYS 66 2HE LYS 66 -0.568 16.164 -0.347 518 HE3 LYS 66 1HE LYS 66 -0.976 15.096 -1.668 519 HZ1 LYS 66 3HZ LYS 66 0.039 13.717 0.740 520 HZ2 LYS 66 1HZ LYS 66 -1.206 13.348 -0.322 521 HZ3 LYS 66 2HZ LYS 66 -1.410 14.482 0.925 522 HA PRO 67 HA PRO 67 4.018 9.589 -4.775 523 HB2 PRO 67 2HB PRO 67 5.267 8.320 -2.379 524 HB3 PRO 67 1HB PRO 67 5.970 8.746 -3.943 525 HG2 PRO 67 2HG PRO 67 6.525 10.213 -1.846 526 HG3 PRO 67 1HG PRO 67 6.222 10.981 -3.404 527 HD2 PRO 67 2HD PRO 67 4.412 10.830 -1.037 528 HD3 PRO 67 1HD PRO 67 4.643 12.151 -2.202 529 H PHE 68 H PHE 68 2.881 8.680 -1.557 530 HA PHE 68 HA PHE 68 2.120 6.009 -2.111 531 HB2 PHE 68 2HB PHE 68 2.382 6.907 0.153 532 HB3 PHE 68 1HB PHE 68 0.922 7.895 -0.044 533 HD1 PHE 68 1HD PHE 68 -1.293 6.767 -0.257 534 HD2 PHE 68 2HD PHE 68 2.337 4.572 0.448 535 HE1 PHE 68 1HE PHE 68 -2.612 4.786 0.410 536 HE2 PHE 68 2HE PHE 68 1.044 2.620 1.101 537 HZ PHE 68 HZ PHE 68 -1.459 2.701 1.088 538 H GLU 69 H GLU 69 0.350 9.061 -2.137 539 HA GLU 69 HA GLU 69 -2.158 7.989 -2.965 540 HB2 GLU 69 2HB GLU 69 -0.962 10.736 -3.352 541 HB3 GLU 69 1HB GLU 69 -2.628 10.301 -3.729 542 HG2 GLU 69 2HG GLU 69 -2.955 9.628 -1.353 543 HG3 GLU 69 1HG GLU 69 -1.292 10.171 -1.044 544 H ASP 70 H ASP 70 0.666 9.183 -4.620 545 HA ASP 70 HA ASP 70 -0.288 9.377 -7.232 546 HB2 ASP 70 2HB ASP 70 2.026 10.041 -6.300 547 HB3 ASP 70 1HB ASP 70 2.451 8.355 -6.506 548 H ALA 71 H ALA 71 1.192 6.664 -5.564 549 HA ALA 71 HA ALA 71 0.681 4.772 -7.672 550 HB1 ALA 71 1HB ALA 71 1.153 4.092 -4.790 551 HB2 ALA 71 2HB ALA 71 2.454 4.598 -5.862 552 HB3 ALA 71 3HB ALA 71 1.526 3.124 -6.220 553 H ALA 72 H ALA 72 -0.931 5.672 -4.653 554 HA ALA 72 HA ALA 72 -2.728 3.546 -4.527 555 HB1 ALA 72 1HB ALA 72 -3.893 4.741 -2.873 556 HB2 ALA 72 2HB ALA 72 -3.411 6.303 -3.526 557 HB3 ALA 72 3HB ALA 72 -2.221 5.280 -2.712 558 H PHE 73 H PHE 73 -3.062 6.657 -6.136 559 HA PHE 73 HA PHE 73 -5.784 6.302 -6.773 560 HB2 PHE 73 2HB PHE 73 -3.695 8.022 -8.140 561 HB3 PHE 73 1HB PHE 73 -5.409 8.055 -8.532 562 HD1 PHE 73 1HD PHE 73 -6.762 7.838 -5.926 563 HD2 PHE 73 2HD PHE 73 -3.207 10.015 -7.000 564 HE1 PHE 73 1HE PHE 73 -7.156 9.398 -4.072 565 HE2 PHE 73 2HE PHE 73 -3.613 11.583 -5.131 566 HZ PHE 73 HZ PHE 73 -5.582 11.279 -3.662 567 H ARG 74 H ARG 74 -2.851 5.290 -8.355 568 HA ARG 74 HA ARG 74 -3.839 4.778 -10.929 569 HB2 ARG 74 2HB ARG 74 -1.557 3.518 -9.425 570 HB3 ARG 74 1HB ARG 74 -1.919 3.154 -11.103 571 HG2 ARG 74 2HG ARG 74 -1.639 5.522 -11.720 572 HG3 ARG 74 1HG ARG 74 -1.355 5.938 -10.032 573 HD2 ARG 74 2HD ARG 74 0.777 5.695 -11.226 574 HD3 ARG 74 1HD ARG 74 0.610 4.504 -9.944 575 HE ARG 74 HE ARG 74 -0.141 3.767 -12.713 576 HH11 ARG 74 1HH2 ARG 74 1.975 3.429 -9.948 577 HH12 ARG 74 2HH2 ARG 74 2.688 1.975 -10.471 578 HH21 ARG 74 1HH1 ARG 74 0.870 1.788 -13.452 579 HH22 ARG 74 2HH1 ARG 74 2.074 1.048 -12.464 580 H LEU 75 H LEU 75 -3.608 2.555 -8.180 581 HA LEU 75 HA LEU 75 -4.880 0.478 -9.815 582 HB2 LEU 75 2HB LEU 75 -4.161 -1.143 -8.320 583 HB3 LEU 75 1HB LEU 75 -2.793 -0.073 -8.477 584 HG LEU 75 HG LEU 75 -4.624 -0.570 -6.150 585 HD11 LEU 75 1HD1 LEU 75 -1.977 0.248 -5.453 586 HD12 LEU 75 2HD1 LEU 75 -1.914 -0.964 -6.744 587 HD13 LEU 75 3HD1 LEU 75 -2.812 -1.289 -5.262 588 HD21 LEU 75 3HD2 LEU 75 -4.100 1.495 -5.063 589 HD22 LEU 75 1HD2 LEU 75 -4.828 1.948 -6.589 590 HD23 LEU 75 2HD2 LEU 75 -3.065 2.035 -6.354 591 H GLN 76 H GLN 76 -6.568 2.586 -8.981 592 HA GLN 76 HA GLN 76 -8.140 1.864 -6.786 593 HB2 GLN 76 2HB GLN 76 -8.877 3.353 -9.311 594 HB3 GLN 76 1HB GLN 76 -10.010 3.100 -7.998 595 HG2 GLN 76 2HG GLN 76 -8.477 4.212 -6.422 596 HG3 GLN 76 1HG GLN 76 -7.306 4.451 -7.700 597 HE21 GLN 76 1HE2 GLN 76 -7.697 6.148 -9.230 598 HE22 GLN 76 2HE2 GLN 76 -8.988 7.240 -9.065 599 H VAL 77 H VAL 77 -7.779 0.425 -9.825 600 HA VAL 77 HA VAL 77 -10.179 -0.989 -10.112 601 HB VAL 77 HB VAL 77 -8.585 -0.791 -11.923 602 HG11 VAL 77 1HG1 VAL 77 -6.622 -1.292 -10.012 603 HG12 VAL 77 2HG1 VAL 77 -6.387 -1.233 -11.749 604 HG13 VAL 77 3HG1 VAL 77 -6.647 -2.781 -10.966 605 HG21 VAL 77 3HG2 VAL 77 -10.060 -2.795 -11.913 606 HG22 VAL 77 1HG2 VAL 77 -8.832 -3.697 -11.022 607 HG23 VAL 77 2HG2 VAL 77 -8.500 -3.150 -12.653 608 H GLY 78 H GLY 78 -7.393 -1.558 -8.026 609 HA2 GLY 78 2HA GLY 78 -7.983 -2.978 -5.971 610 HA3 GLY 78 1HA GLY 78 -8.626 -4.094 -7.154 611 H GLU 79 H GLU 79 -6.124 -2.955 -8.732 612 HA GLU 79 HA GLU 79 -4.624 -5.322 -8.524 613 HB2 GLU 79 2HB GLU 79 -4.429 -4.366 -10.616 614 HB3 GLU 79 1HB GLU 79 -4.453 -2.728 -9.994 615 HG2 GLU 79 2HG GLU 79 -2.324 -2.944 -10.754 616 HG3 GLU 79 1HG GLU 79 -2.087 -3.264 -9.063 617 H VAL 80 H VAL 80 -2.236 -5.275 -8.120 618 HA VAL 80 HA VAL 80 -1.632 -3.930 -5.574 619 HB VAL 80 HB VAL 80 0.019 -5.999 -7.028 620 HG11 VAL 80 1HG1 VAL 80 -0.007 -4.878 -4.226 621 HG12 VAL 80 2HG1 VAL 80 1.330 -4.949 -5.375 622 HG13 VAL 80 3HG1 VAL 80 0.757 -6.423 -4.598 623 HG21 VAL 80 3HG2 VAL 80 -1.670 -6.745 -4.688 624 HG22 VAL 80 1HG2 VAL 80 -1.123 -7.739 -6.033 625 HG23 VAL 80 2HG2 VAL 80 -2.476 -6.633 -6.268 626 H SER 81 H SER 81 -0.284 -2.217 -5.618 627 HA SER 81 HA SER 81 0.603 -1.167 -8.107 628 HB2 SER 81 2HB SER 81 1.722 0.537 -6.560 629 HB3 SER 81 1HB SER 81 -0.029 0.441 -6.521 630 HG SER 81 HG SER 81 0.126 -0.816 -4.674 631 H GLU 82 H GLU 82 2.861 -0.487 -8.526 632 HA GLU 82 HA GLU 82 4.751 -2.602 -7.932 633 HB2 GLU 82 2HB GLU 82 5.433 -0.008 -9.333 634 HB3 GLU 82 1HB GLU 82 6.124 -1.595 -9.577 635 HG2 GLU 82 2HG GLU 82 4.790 -1.679 -11.393 636 HG3 GLU 82 1HG GLU 82 3.578 -2.157 -10.216 637 HA PRO 83 HA PRO 83 6.905 -0.658 -4.615 638 HB2 PRO 83 2HB PRO 83 9.165 0.267 -6.331 639 HB3 PRO 83 1HB PRO 83 9.182 -0.657 -4.825 640 HG2 PRO 83 2HG PRO 83 9.580 -1.832 -7.194 641 HG3 PRO 83 1HG PRO 83 8.788 -2.673 -5.863 642 HD2 PRO 83 2HD PRO 83 7.572 -1.701 -8.388 643 HD3 PRO 83 1HD PRO 83 6.987 -2.896 -7.224 644 H VAL 84 H VAL 84 6.454 1.267 -3.675 645 HA VAL 84 HA VAL 84 6.234 3.695 -5.339 646 HB VAL 84 HB VAL 84 4.981 3.016 -2.679 647 HG11 VAL 84 1HG1 VAL 84 3.429 4.962 -3.594 648 HG12 VAL 84 2HG1 VAL 84 4.893 5.430 -4.455 649 HG13 VAL 84 3HG1 VAL 84 4.897 5.294 -2.689 650 HG21 VAL 84 3HG2 VAL 84 2.879 2.780 -4.014 651 HG22 VAL 84 1HG2 VAL 84 4.070 1.557 -4.418 652 HG23 VAL 84 2HG2 VAL 84 3.846 2.908 -5.497 653 H LYS 85 H LYS 85 8.187 4.690 -5.153 654 HA LYS 85 HA LYS 85 9.750 4.686 -2.756 655 HB2 LYS 85 2HB LYS 85 10.476 5.112 -5.254 656 HB3 LYS 85 1HB LYS 85 10.073 6.781 -4.887 657 HG2 LYS 85 2HG LYS 85 11.797 5.268 -2.950 658 HG3 LYS 85 1HG LYS 85 12.514 5.858 -4.448 659 HD2 LYS 85 2HD LYS 85 11.523 8.163 -3.858 660 HD3 LYS 85 1HD LYS 85 11.190 7.514 -2.262 661 HE2 LYS 85 2HE LYS 85 13.744 8.361 -3.431 662 HE3 LYS 85 1HE LYS 85 13.280 8.201 -1.742 663 HZ1 LYS 85 3HZ LYS 85 13.496 5.733 -2.089 664 HZ2 LYS 85 1HZ LYS 85 14.950 6.569 -2.119 665 HZ3 LYS 85 2HZ LYS 85 14.286 6.096 -3.565 666 H SER 86 H SER 86 9.735 6.109 -1.076 667 HA SER 86 HA SER 86 8.218 8.609 -1.281 668 HB2 SER 86 2HB SER 86 6.924 8.090 0.662 669 HB3 SER 86 1HB SER 86 6.743 6.726 -0.422 670 HG SER 86 HG SER 86 7.863 5.514 0.908 671 H GLU 87 H GLU 87 8.519 9.784 0.839 672 HA GLU 87 HA GLU 87 11.262 10.057 1.582 673 HB2 GLU 87 2HB GLU 87 9.852 10.990 3.783 674 HB3 GLU 87 1HB GLU 87 10.268 11.950 2.373 675 HG2 GLU 87 2HG GLU 87 7.701 10.331 2.513 676 HG3 GLU 87 1HG GLU 87 7.794 11.963 3.096 677 H PHE 88 H PHE 88 8.540 8.247 2.758 678 HA PHE 88 HA PHE 88 9.679 7.163 5.136 679 HB2 PHE 88 2HB PHE 88 7.354 6.432 3.395 680 HB3 PHE 88 1HB PHE 88 7.851 5.373 4.694 681 HD1 PHE 88 1HD PHE 88 6.852 8.902 3.947 682 HD2 PHE 88 2HD PHE 88 7.280 5.863 6.964 683 HE1 PHE 88 1HE PHE 88 5.688 10.352 5.581 684 HE2 PHE 88 2HE PHE 88 6.119 7.317 8.591 685 HZ PHE 88 HZ PHE 88 5.323 9.560 7.907 686 H GLY 89 H GLY 89 9.420 5.954 1.818 687 HA2 GLY 89 2HA GLY 89 11.702 4.514 1.481 688 HA3 GLY 89 1HA GLY 89 10.737 3.464 2.512 689 H TYR 90 H TYR 90 10.531 1.875 0.841 690 HA TYR 90 HA TYR 90 8.938 2.744 -1.447 691 HB2 TYR 90 2HB TYR 90 10.529 0.229 -0.948 692 HB3 TYR 90 1HB TYR 90 9.355 0.364 -2.236 693 HD1 TYR 90 2HD TYR 90 9.643 1.940 -4.088 694 HD2 TYR 90 1HD TYR 90 12.650 1.502 -1.043 695 HE1 TYR 90 2HE TYR 90 11.248 3.107 -5.519 696 HE2 TYR 90 1HE TYR 90 14.268 2.676 -2.470 697 HH TYR 90 HH TYR 90 14.628 3.677 -4.481 698 H HIS 91 H HIS 91 6.847 2.290 -1.537 699 HA HIS 91 HA HIS 91 5.771 0.386 0.434 700 HB2 HIS 91 2HB HIS 91 4.133 2.508 -0.965 701 HB3 HIS 91 1HB HIS 91 3.708 1.527 0.420 702 HD1 HIS 91 1HD HIS 91 3.793 2.809 2.502 703 HD2 HIS 91 2HD HIS 91 6.702 4.115 -0.166 704 HE1 HIS 91 1HE HIS 91 5.007 4.713 3.651 705 H VAL 92 H VAL 92 4.238 -1.079 -0.260 706 HA VAL 92 HA VAL 92 3.653 -1.171 -3.146 707 HB VAL 92 HB VAL 92 3.829 -3.551 -1.274 708 HG11 VAL 92 1HG1 VAL 92 2.322 -4.334 -2.795 709 HG12 VAL 92 2HG1 VAL 92 3.748 -4.561 -3.798 710 HG13 VAL 92 3HG1 VAL 92 2.751 -3.133 -4.008 711 HG21 VAL 92 3HG2 VAL 92 5.713 -2.319 -3.237 712 HG22 VAL 92 1HG2 VAL 92 5.615 -4.077 -3.170 713 HG23 VAL 92 2HG2 VAL 92 6.061 -3.161 -1.721 714 H ILE 93 H ILE 93 1.533 -0.904 -3.515 715 HA ILE 93 HA ILE 93 -0.222 -1.011 -1.151 716 HB ILE 93 HB ILE 93 -0.348 0.791 -3.591 717 HG12 ILE 93 2HG1 ILE 93 0.237 1.484 -0.699 718 HG13 ILE 93 1HG1 ILE 93 1.500 1.252 -1.909 719 HG21 ILE 93 1HG2 ILE 93 -2.093 0.516 -1.142 720 HG22 ILE 93 2HG2 ILE 93 -2.579 0.434 -2.833 721 HG23 ILE 93 3HG2 ILE 93 -2.071 1.969 -2.134 722 HD11 ILE 93 3HD1 ILE 93 0.170 2.965 -3.325 723 HD12 ILE 93 1HD1 ILE 93 1.136 3.569 -1.983 724 HD13 ILE 93 2HD1 ILE 93 -0.609 3.399 -1.808 725 H LYS 94 H LYS 94 -1.959 -2.277 -1.296 726 HA LYS 94 HA LYS 94 -2.902 -2.984 -3.995 727 HB2 LYS 94 2HB LYS 94 -2.082 -5.041 -2.701 728 HB3 LYS 94 1HB LYS 94 -3.451 -4.761 -1.606 729 HG2 LYS 94 2HG LYS 94 -5.024 -4.845 -3.474 730 HG3 LYS 94 1HG LYS 94 -3.715 -5.039 -4.628 731 HD2 LYS 94 2HD LYS 94 -3.128 -7.209 -3.450 732 HD3 LYS 94 1HD LYS 94 -4.582 -6.997 -2.486 733 HE2 LYS 94 2HE LYS 94 -4.497 -7.200 -5.518 734 HE3 LYS 94 1HE LYS 94 -5.098 -8.428 -4.424 735 HZ1 LYS 94 3HZ LYS 94 -7.005 -7.411 -4.939 736 HZ2 LYS 94 1HZ LYS 94 -6.322 -5.923 -5.271 737 HZ3 LYS 94 2HZ LYS 94 -6.637 -6.388 -3.644 738 H ARG 95 H ARG 95 -5.059 -2.753 -4.329 739 HA ARG 95 HA ARG 95 -6.227 -0.870 -2.527 740 HB2 ARG 95 2HB ARG 95 -6.584 -1.429 -5.256 741 HB3 ARG 95 1HB ARG 95 -8.115 -1.825 -4.464 742 HG2 ARG 95 2HG ARG 95 -7.527 0.528 -3.210 743 HG3 ARG 95 1HG ARG 95 -6.813 0.803 -4.794 744 HD2 ARG 95 2HD ARG 95 -9.107 1.519 -4.924 745 HD3 ARG 95 1HD ARG 95 -8.917 -0.003 -5.817 746 HE ARG 95 HE ARG 95 -9.740 -0.399 -3.074 747 HH11 ARG 95 1HH2 ARG 95 -10.797 0.231 -6.383 748 HH12 ARG 95 2HH2 ARG 95 -12.394 -0.262 -6.058 749 HH21 ARG 95 1HH1 ARG 95 -11.871 -1.090 -2.712 750 HH22 ARG 95 2HH1 ARG 95 -13.028 -1.016 -3.963 751 H LEU 96 H LEU 96 -8.026 -1.056 -1.340 752 HA LEU 96 HA LEU 96 -8.794 -3.755 -0.520 753 HB2 LEU 96 2HB LEU 96 -8.030 -2.272 1.280 754 HB3 LEU 96 1HB LEU 96 -9.161 -1.032 0.764 755 HG LEU 96 HG LEU 96 -11.035 -2.581 1.221 756 HD11 LEU 96 1HD1 LEU 96 -8.732 -4.315 2.149 757 HD12 LEU 96 2HD1 LEU 96 -10.086 -4.775 1.138 758 HD13 LEU 96 3HD1 LEU 96 -10.323 -4.511 2.868 759 HD21 LEU 96 3HD2 LEU 96 -9.151 -2.033 3.541 760 HD22 LEU 96 1HD2 LEU 96 -10.864 -2.388 3.710 761 HD23 LEU 96 2HD2 LEU 96 -10.331 -0.906 2.905 762 H GLY 97 H GLY 97 -10.801 -4.434 -0.958 763 HA2 GLY 97 2HA GLY 97 -12.284 -3.251 -3.011 764 HA3 GLY 97 1HA GLY 97 -12.816 -4.577 -2.004 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -17.563 9.195 -9.813 2 HA2 GLY 1 2HA GLY 1 -20.373 9.154 -10.062 3 HA3 GLY 1 1HA GLY 1 -19.895 8.452 -8.516 4 HA PRO 2 HA PRO 2 -20.090 13.132 -8.084 5 HB2 PRO 2 2HB PRO 2 -21.571 13.131 -5.809 6 HB3 PRO 2 1HB PRO 2 -22.299 13.087 -7.431 7 HG2 PRO 2 2HG PRO 2 -21.815 10.826 -5.534 8 HG3 PRO 2 1HG PRO 2 -23.241 11.190 -6.520 9 HD2 PRO 2 2HD PRO 2 -21.503 9.329 -7.330 10 HD3 PRO 2 1HD PRO 2 -22.307 10.400 -8.486 11 H MET 3 H MET 3 -18.851 14.328 -6.609 12 HA MET 3 HA MET 3 -16.822 12.913 -5.186 13 HB2 MET 3 2HB MET 3 -17.460 15.811 -5.626 14 HB3 MET 3 1HB MET 3 -16.385 15.373 -4.312 15 HG2 MET 3 2HG MET 3 -14.710 15.211 -5.784 16 HG3 MET 3 1HG MET 3 -15.513 13.802 -6.474 17 HE1 MET 3 3HE MET 3 -15.599 13.555 -8.628 18 HE2 MET 3 1HE MET 3 -16.234 14.654 -9.853 19 HE3 MET 3 2HE MET 3 -17.298 13.980 -8.637 20 H GLY 4 H GLY 4 -16.295 13.110 -2.986 21 HA2 GLY 4 2HA GLY 4 -16.856 13.173 -0.697 22 HA3 GLY 4 1HA GLY 4 -18.535 13.513 -1.126 23 H SER 5 H SER 5 -16.866 11.267 -2.994 24 HA SER 5 HA SER 5 -18.701 9.136 -2.516 25 HB2 SER 5 2HB SER 5 -17.435 8.041 -4.305 26 HB3 SER 5 1HB SER 5 -17.726 9.728 -4.695 27 HG SER 5 HG SER 5 -15.619 10.188 -3.856 28 H MET 6 H MET 6 -17.820 6.921 -2.224 29 HA MET 6 HA MET 6 -16.179 6.650 0.118 30 HB2 MET 6 2HB MET 6 -17.048 4.607 -1.970 31 HB3 MET 6 1HB MET 6 -16.217 4.218 -0.478 32 HG2 MET 6 2HG MET 6 -18.908 5.628 -0.632 33 HG3 MET 6 1HG MET 6 -18.682 3.924 -0.271 34 HE1 MET 6 3HE MET 6 -16.357 3.546 1.482 35 HE2 MET 6 1HE MET 6 -17.969 2.930 1.853 36 HE3 MET 6 2HE MET 6 -17.015 3.723 3.093 37 H ALA 7 H ALA 7 -15.826 6.545 -3.349 38 HA ALA 7 HA ALA 7 -13.144 5.660 -3.492 39 HB1 ALA 7 1HB ALA 7 -13.250 6.767 -5.810 40 HB2 ALA 7 2HB ALA 7 -14.944 7.088 -5.434 41 HB3 ALA 7 3HB ALA 7 -14.364 5.439 -5.508 42 H ASP 8 H ASP 8 -14.492 8.714 -2.646 43 HA ASP 8 HA ASP 8 -12.269 10.346 -3.369 44 HB2 ASP 8 2HB ASP 8 -14.486 10.647 -1.354 45 HB3 ASP 8 1HB ASP 8 -13.122 11.731 -1.268 46 H LYS 9 H LYS 9 -13.007 8.279 -0.709 47 HA LYS 9 HA LYS 9 -10.406 8.680 0.544 48 HB2 LYS 9 2HB LYS 9 -12.702 6.816 1.176 49 HB3 LYS 9 1HB LYS 9 -11.169 6.824 2.034 50 HG2 LYS 9 2HG LYS 9 -11.518 9.163 2.678 51 HG3 LYS 9 1HG LYS 9 -13.067 9.189 1.840 52 HD2 LYS 9 2HD LYS 9 -13.905 7.380 3.318 53 HD3 LYS 9 1HD LYS 9 -12.350 7.344 4.145 54 HE2 LYS 9 2HE LYS 9 -13.901 8.674 5.450 55 HE3 LYS 9 1HE LYS 9 -12.628 9.685 4.785 56 HZ1 LYS 9 3HZ LYS 9 -15.113 9.353 3.230 57 HZ2 LYS 9 1HZ LYS 9 -14.022 10.634 3.244 58 HZ3 LYS 9 2HZ LYS 9 -15.103 10.438 4.529 59 H ILE 10 H ILE 10 -8.948 6.877 0.633 60 HA ILE 10 HA ILE 10 -9.311 5.083 -1.666 61 HB ILE 10 HB ILE 10 -6.672 5.043 -0.436 62 HG12 ILE 10 2HG1 ILE 10 -7.820 7.674 -1.438 63 HG13 ILE 10 1HG1 ILE 10 -6.979 7.374 0.057 64 HG21 ILE 10 1HG2 ILE 10 -5.997 5.236 -2.764 65 HG22 ILE 10 2HG2 ILE 10 -7.594 5.792 -3.218 66 HG23 ILE 10 3HG2 ILE 10 -7.368 4.132 -2.680 67 HD11 ILE 10 3HD1 ILE 10 -4.935 6.731 -1.313 68 HD12 ILE 10 1HD1 ILE 10 -5.379 8.435 -1.347 69 HD13 ILE 10 2HD1 ILE 10 -5.782 7.409 -2.712 70 H LYS 11 H LYS 11 -9.771 3.080 -1.234 71 HA LYS 11 HA LYS 11 -9.392 2.001 1.480 72 HB2 LYS 11 2HB LYS 11 -10.759 0.811 -0.973 73 HB3 LYS 11 1HB LYS 11 -10.673 0.085 0.622 74 HG2 LYS 11 2HG LYS 11 -11.980 1.954 1.592 75 HG3 LYS 11 1HG LYS 11 -11.971 2.762 0.034 76 HD2 LYS 11 2HD LYS 11 -14.080 1.678 0.142 77 HD3 LYS 11 1HD LYS 11 -13.089 0.738 -0.957 78 HE2 LYS 11 2HE LYS 11 -12.614 -0.940 0.685 79 HE3 LYS 11 1HE LYS 11 -13.299 -0.001 1.992 80 HZ1 LYS 11 3HZ LYS 11 -15.228 -0.968 1.575 81 HZ2 LYS 11 1HZ LYS 11 -14.516 -1.852 0.341 82 HZ3 LYS 11 2HZ LYS 11 -15.266 -0.385 -0.039 83 H CYS 12 H CYS 12 -7.242 1.405 1.633 84 HA CYS 12 HA CYS 12 -6.215 -0.377 -0.474 85 HB2 CYS 12 2HB CYS 12 -4.846 1.094 -1.401 86 HB3 CYS 12 1HB CYS 12 -5.616 2.373 -0.465 87 HG CYS 12 HG CYS 12 -2.868 1.124 0.107 88 H SER 13 H SER 13 -4.074 -1.136 -0.065 89 HA SER 13 HA SER 13 -3.433 -1.418 2.746 90 HB2 SER 13 2HB SER 13 -3.225 -3.704 0.784 91 HB3 SER 13 1HB SER 13 -3.049 -3.772 2.532 92 HG SER 13 HG SER 13 -5.378 -3.221 0.987 93 H HIS 14 H HIS 14 -1.168 -1.354 3.104 94 HA HIS 14 HA HIS 14 0.482 -1.227 0.678 95 HB2 HIS 14 2HB HIS 14 1.162 0.876 0.919 96 HB3 HIS 14 1HB HIS 14 -0.315 1.086 1.846 97 HD2 HIS 14 2HD HIS 14 0.445 0.216 4.820 98 HE1 HIS 14 1HE HIS 14 4.087 2.294 4.390 99 HE2 HIS 14 2HE HIS 14 2.519 1.257 6.052 100 H ILE 15 H ILE 15 2.643 -1.587 0.863 101 HA ILE 15 HA ILE 15 3.577 -2.887 3.365 102 HB ILE 15 HB ILE 15 4.027 -3.693 0.476 103 HG12 ILE 15 2HG1 ILE 15 2.651 -5.219 2.690 104 HG13 ILE 15 1HG1 ILE 15 1.772 -4.221 1.558 105 HG21 ILE 15 1HG2 ILE 15 4.804 -5.681 2.395 106 HG22 ILE 15 2HG2 ILE 15 5.690 -4.193 2.728 107 HG23 ILE 15 3HG2 ILE 15 5.764 -4.941 1.130 108 HD11 ILE 15 3HD1 ILE 15 2.714 -5.556 -0.318 109 HD12 ILE 15 1HD1 ILE 15 1.762 -6.535 0.805 110 HD13 ILE 15 2HD1 ILE 15 3.537 -6.573 0.875 111 H LEU 16 H LEU 16 5.286 -1.778 4.145 112 HA LEU 16 HA LEU 16 6.834 0.004 2.356 113 HB2 LEU 16 2HB LEU 16 5.762 0.679 4.690 114 HB3 LEU 16 1HB LEU 16 7.139 -0.150 5.340 115 HG LEU 16 HG LEU 16 7.613 1.912 3.188 116 HD11 LEU 16 1HD1 LEU 16 7.561 3.695 4.633 117 HD12 LEU 16 2HD1 LEU 16 7.710 2.695 6.068 118 HD13 LEU 16 3HD1 LEU 16 6.172 2.781 5.215 119 HD21 LEU 16 3HD2 LEU 16 9.302 1.358 5.625 120 HD22 LEU 16 1HD2 LEU 16 9.787 1.980 4.064 121 HD23 LEU 16 2HD2 LEU 16 9.421 0.275 4.230 122 H VAL 17 H VAL 17 8.768 -0.770 1.656 123 HA VAL 17 HA VAL 17 10.216 -2.598 3.448 124 HB VAL 17 HB VAL 17 10.875 -3.970 1.518 125 HG11 VAL 17 1HG1 VAL 17 8.955 -4.608 2.999 126 HG12 VAL 17 2HG1 VAL 17 8.744 -5.176 1.344 127 HG13 VAL 17 3HG1 VAL 17 7.870 -3.757 1.902 128 HG21 VAL 17 3HG2 VAL 17 10.400 -2.202 -0.222 129 HG22 VAL 17 1HG2 VAL 17 8.674 -2.481 0.037 130 HG23 VAL 17 2HG2 VAL 17 9.701 -3.771 -0.588 131 H LYS 18 H LYS 18 12.399 -2.661 3.245 132 HA LYS 18 HA LYS 18 13.671 -0.221 2.543 133 HB2 LYS 18 2HB LYS 18 14.792 -2.913 3.350 134 HB3 LYS 18 1HB LYS 18 15.754 -1.454 3.118 135 HG2 LYS 18 2HG LYS 18 14.428 -0.241 4.797 136 HG3 LYS 18 1HG LYS 18 13.428 -1.667 5.048 137 HD2 LYS 18 2HD LYS 18 15.410 -2.933 5.791 138 HD3 LYS 18 1HD LYS 18 16.404 -1.498 5.587 139 HE2 LYS 18 2HE LYS 18 15.038 -0.264 7.247 140 HE3 LYS 18 1HE LYS 18 14.008 -1.674 7.453 141 HZ1 LYS 18 3HZ LYS 18 16.923 -1.897 7.896 142 HZ2 LYS 18 1HZ LYS 18 15.651 -2.851 8.489 143 HZ3 LYS 18 2HZ LYS 18 15.889 -1.279 9.086 144 H LYS 19 H LYS 19 13.398 -3.375 0.999 145 HA LYS 19 HA LYS 19 15.132 -2.448 -1.213 146 HB2 LYS 19 2HB LYS 19 14.248 -5.190 -0.401 147 HB3 LYS 19 1HB LYS 19 15.334 -4.848 -1.749 148 HG2 LYS 19 2HG LYS 19 16.914 -3.767 -0.152 149 HG3 LYS 19 1HG LYS 19 15.834 -4.200 1.174 150 HD2 LYS 19 2HD LYS 19 16.080 -6.617 0.528 151 HD3 LYS 19 1HD LYS 19 17.291 -6.155 -0.658 152 HE2 LYS 19 2HE LYS 19 17.412 -5.779 2.334 153 HE3 LYS 19 1HE LYS 19 18.428 -6.828 1.364 154 HZ1 LYS 19 3HZ LYS 19 18.388 -3.851 1.328 155 HZ2 LYS 19 1HZ LYS 19 19.226 -4.758 0.183 156 HZ3 LYS 19 2HZ LYS 19 19.647 -4.827 1.827 157 H GLN 20 H GLN 20 14.464 -2.463 -3.293 158 HA GLN 20 HA GLN 20 11.683 -2.403 -3.917 159 HB2 GLN 20 2HB GLN 20 14.144 -2.503 -5.693 160 HB3 GLN 20 1HB GLN 20 12.503 -2.344 -6.296 161 HG2 GLN 20 2HG GLN 20 12.159 -0.278 -5.036 162 HG3 GLN 20 1HG GLN 20 13.745 -0.444 -4.290 163 HE21 GLN 20 1HE2 GLN 20 12.128 1.031 -6.875 164 HE22 GLN 20 2HE2 GLN 20 13.476 1.373 -7.834 165 H GLY 21 H GLY 21 14.222 -4.817 -4.134 166 HA2 GLY 21 2HA GLY 21 12.784 -6.762 -5.600 167 HA3 GLY 21 1HA GLY 21 14.142 -7.112 -4.526 168 H GLU 22 H GLU 22 12.892 -5.939 -2.186 169 HA GLU 22 HA GLU 22 11.325 -8.139 -1.281 170 HB2 GLU 22 2HB GLU 22 11.796 -5.357 -0.152 171 HB3 GLU 22 1HB GLU 22 10.864 -6.609 0.650 172 HG2 GLU 22 2HG GLU 22 12.779 -8.081 0.747 173 HG3 GLU 22 1HG GLU 22 13.767 -7.009 -0.216 174 H ALA 23 H ALA 23 10.663 -4.868 -2.418 175 HA ALA 23 HA ALA 23 7.855 -4.885 -2.058 176 HB1 ALA 23 1HB ALA 23 9.681 -3.353 -3.899 177 HB2 ALA 23 2HB ALA 23 8.664 -2.757 -2.595 178 HB3 ALA 23 3HB ALA 23 7.941 -3.270 -4.114 179 H LEU 24 H LEU 24 9.886 -5.901 -4.786 180 HA LEU 24 HA LEU 24 7.687 -6.715 -6.393 181 HB2 LEU 24 2HB LEU 24 10.550 -7.692 -6.476 182 HB3 LEU 24 1HB LEU 24 9.301 -8.076 -7.652 183 HG LEU 24 HG LEU 24 10.484 -5.349 -7.074 184 HD11 LEU 24 1HD1 LEU 24 11.279 -5.428 -9.262 185 HD12 LEU 24 2HD1 LEU 24 10.109 -6.667 -9.702 186 HD13 LEU 24 3HD1 LEU 24 11.509 -7.106 -8.719 187 HD21 LEU 24 3HD2 LEU 24 8.834 -4.691 -8.970 188 HD22 LEU 24 1HD2 LEU 24 8.199 -4.820 -7.337 189 HD23 LEU 24 2HD2 LEU 24 7.934 -6.124 -8.513 190 H ALA 25 H ALA 25 9.636 -8.347 -3.991 191 HA ALA 25 HA ALA 25 8.739 -10.964 -4.389 192 HB1 ALA 25 1HB ALA 25 9.368 -11.425 -2.116 193 HB2 ALA 25 2HB ALA 25 9.280 -9.721 -1.680 194 HB3 ALA 25 3HB ALA 25 10.540 -10.288 -2.771 195 H VAL 26 H VAL 26 7.320 -8.448 -2.299 196 HA VAL 26 HA VAL 26 5.066 -10.054 -1.620 197 HB VAL 26 HB VAL 26 4.030 -8.028 -0.752 198 HG11 VAL 26 1HG1 VAL 26 5.528 -7.677 0.981 199 HG12 VAL 26 2HG1 VAL 26 6.908 -7.628 -0.108 200 HG13 VAL 26 3HG1 VAL 26 6.169 -9.179 0.302 201 HG21 VAL 26 3HG2 VAL 26 6.386 -6.509 -1.878 202 HG22 VAL 26 1HG2 VAL 26 4.990 -5.832 -1.061 203 HG23 VAL 26 2HG2 VAL 26 4.804 -6.514 -2.678 204 H GLN 27 H GLN 27 5.670 -7.726 -4.185 205 HA GLN 27 HA GLN 27 3.070 -7.638 -5.280 206 HB2 GLN 27 2HB GLN 27 5.799 -7.265 -6.431 207 HB3 GLN 27 1HB GLN 27 4.448 -7.045 -7.484 208 HG2 GLN 27 2HG GLN 27 3.519 -5.359 -5.931 209 HG3 GLN 27 1HG GLN 27 4.888 -5.572 -4.852 210 HE21 GLN 27 1HE2 GLN 27 4.948 -3.099 -5.488 211 HE22 GLN 27 2HE2 GLN 27 5.910 -2.704 -6.831 212 H GLU 28 H GLU 28 5.777 -9.764 -6.017 213 HA GLU 28 HA GLU 28 4.253 -11.241 -7.927 214 HB2 GLU 28 2HB GLU 28 6.946 -11.812 -6.700 215 HB3 GLU 28 1HB GLU 28 6.183 -12.820 -7.928 216 HG2 GLU 28 2HG GLU 28 6.785 -9.857 -8.248 217 HG3 GLU 28 1HG GLU 28 7.669 -11.195 -8.987 218 H ARG 29 H ARG 29 5.022 -11.743 -4.539 219 HA ARG 29 HA ARG 29 3.893 -14.342 -4.506 220 HB2 ARG 29 2HB ARG 29 5.357 -13.498 -2.654 221 HB3 ARG 29 1HB ARG 29 4.039 -12.419 -2.167 222 HG2 ARG 29 2HG ARG 29 2.540 -14.294 -1.802 223 HG3 ARG 29 1HG ARG 29 3.741 -15.413 -2.436 224 HD2 ARG 29 2HD ARG 29 5.266 -14.649 -0.496 225 HD3 ARG 29 1HD ARG 29 3.854 -13.832 0.124 226 HE ARG 29 HE ARG 29 2.806 -15.877 0.578 227 HH11 ARG 29 1HH2 ARG 29 5.914 -16.288 -1.049 228 HH12 ARG 29 2HH2 ARG 29 5.916 -17.982 -0.827 229 HH21 ARG 29 1HH1 ARG 29 2.854 -18.105 0.810 230 HH22 ARG 29 2HH1 ARG 29 4.193 -19.035 0.259 231 H LEU 30 H LEU 30 2.570 -11.116 -4.081 232 HA LEU 30 HA LEU 30 0.026 -11.728 -3.130 233 HB2 LEU 30 2HB LEU 30 1.341 -9.444 -4.404 234 HB3 LEU 30 1HB LEU 30 -0.306 -9.605 -4.950 235 HG LEU 30 HG LEU 30 -0.058 -8.175 -2.912 236 HD11 LEU 30 1HD1 LEU 30 -1.701 -10.685 -2.504 237 HD12 LEU 30 2HD1 LEU 30 -2.193 -9.294 -3.474 238 HD13 LEU 30 3HD1 LEU 30 -1.965 -9.127 -1.741 239 HD21 LEU 30 3HD2 LEU 30 1.633 -10.145 -1.992 240 HD22 LEU 30 1HD2 LEU 30 0.147 -10.526 -1.119 241 HD23 LEU 30 2HD2 LEU 30 0.887 -8.927 -0.984 242 H LYS 31 H LYS 31 1.462 -12.157 -6.218 243 HA LYS 31 HA LYS 31 -0.805 -12.262 -7.888 244 HB2 LYS 31 2HB LYS 31 1.678 -13.974 -8.145 245 HB3 LYS 31 1HB LYS 31 0.569 -13.511 -9.420 246 HG2 LYS 31 2HG LYS 31 2.336 -11.618 -7.844 247 HG3 LYS 31 1HG LYS 31 2.615 -12.116 -9.509 248 HD2 LYS 31 2HD LYS 31 0.138 -11.064 -9.808 249 HD3 LYS 31 1HD LYS 31 0.595 -10.243 -8.355 250 HE2 LYS 31 2HE LYS 31 2.289 -10.218 -10.859 251 HE3 LYS 31 1HE LYS 31 1.257 -8.903 -10.312 252 HZ1 LYS 31 3HZ LYS 31 2.924 -8.224 -9.085 253 HZ2 LYS 31 1HZ LYS 31 3.891 -9.546 -9.473 254 HZ3 LYS 31 2HZ LYS 31 2.788 -9.553 -8.121 255 H ALA 32 H ALA 32 0.814 -14.601 -5.806 256 HA ALA 32 HA ALA 32 -0.558 -16.931 -6.567 257 HB1 ALA 32 1HB ALA 32 1.552 -16.771 -5.146 258 HB2 ALA 32 2HB ALA 32 0.338 -17.922 -4.610 259 HB3 ALA 32 3HB ALA 32 0.494 -16.366 -3.794 260 H GLY 33 H GLY 33 -1.607 -14.174 -4.863 261 HA2 GLY 33 2HA GLY 33 -3.814 -13.719 -4.277 262 HA3 GLY 33 1HA GLY 33 -4.197 -15.426 -4.384 263 H GLU 34 H GLU 34 -1.339 -14.737 -2.620 264 HA GLU 34 HA GLU 34 -2.545 -15.575 -0.162 265 HB2 GLU 34 2HB GLU 34 0.213 -14.481 -0.756 266 HB3 GLU 34 1HB GLU 34 -0.328 -14.928 0.856 267 HG2 GLU 34 2HG GLU 34 -1.045 -17.201 -0.379 268 HG3 GLU 34 1HG GLU 34 0.183 -16.686 -1.508 269 H LYS 35 H LYS 35 -2.500 -14.285 1.808 270 HA LYS 35 HA LYS 35 -3.999 -11.994 1.362 271 HB2 LYS 35 2HB LYS 35 -4.072 -13.493 3.380 272 HB3 LYS 35 1HB LYS 35 -2.592 -12.714 3.936 273 HG2 LYS 35 2HG LYS 35 -3.693 -10.542 3.992 274 HG3 LYS 35 1HG LYS 35 -5.162 -11.242 3.295 275 HD2 LYS 35 2HD LYS 35 -5.408 -12.685 5.290 276 HD3 LYS 35 1HD LYS 35 -3.949 -11.996 5.979 277 HE2 LYS 35 2HE LYS 35 -6.127 -10.993 6.812 278 HE3 LYS 35 1HE LYS 35 -4.931 -9.846 6.218 279 HZ1 LYS 35 3HZ LYS 35 -7.248 -10.871 4.611 280 HZ2 LYS 35 1HZ LYS 35 -6.113 -9.760 4.078 281 HZ3 LYS 35 2HZ LYS 35 -7.170 -9.362 5.312 282 H PHE 36 H PHE 36 -3.480 -9.950 1.069 283 HA PHE 36 HA PHE 36 -0.898 -9.019 0.520 284 HB2 PHE 36 2HB PHE 36 -3.031 -7.912 -0.190 285 HB3 PHE 36 1HB PHE 36 -3.285 -7.399 1.474 286 HD1 PHE 36 1HD PHE 36 -1.251 -6.936 -1.565 287 HD2 PHE 36 2HD PHE 36 -1.889 -5.684 2.486 288 HE1 PHE 36 1HE PHE 36 0.167 -4.950 -1.967 289 HE2 PHE 36 2HE PHE 36 -0.461 -3.683 2.083 290 HZ PHE 36 HZ PHE 36 0.559 -3.323 -0.155 291 H GLY 37 H GLY 37 -2.917 -8.840 3.378 292 HA2 GLY 37 2HA GLY 37 -1.121 -7.433 5.013 293 HA3 GLY 37 1HA GLY 37 -2.441 -8.473 5.609 294 H LYS 38 H LYS 38 -1.339 -10.846 4.231 295 HA LYS 38 HA LYS 38 0.416 -11.776 6.235 296 HB2 LYS 38 2HB LYS 38 -0.859 -13.359 4.906 297 HB3 LYS 38 1HB LYS 38 -0.043 -12.848 3.423 298 HG2 LYS 38 2HG LYS 38 2.117 -13.592 4.388 299 HG3 LYS 38 1HG LYS 38 1.253 -14.140 5.831 300 HD2 LYS 38 2HD LYS 38 -0.025 -15.753 4.524 301 HD3 LYS 38 1HD LYS 38 0.662 -15.131 3.026 302 HE2 LYS 38 2HE LYS 38 1.720 -17.263 4.043 303 HE3 LYS 38 1HE LYS 38 2.777 -15.979 3.459 304 HZ1 LYS 38 3HZ LYS 38 1.912 -15.949 6.284 305 HZ2 LYS 38 1HZ LYS 38 3.334 -15.332 5.599 306 HZ3 LYS 38 2HZ LYS 38 3.131 -16.995 5.801 307 H LEU 39 H LEU 39 0.959 -10.646 2.934 308 HA LEU 39 HA LEU 39 3.802 -10.793 3.051 309 HB2 LEU 39 2HB LEU 39 1.930 -9.177 1.300 310 HB3 LEU 39 1HB LEU 39 3.653 -8.945 1.268 311 HG LEU 39 HG LEU 39 3.022 -10.588 -0.469 312 HD11 LEU 39 1HD1 LEU 39 5.127 -10.753 1.233 313 HD12 LEU 39 2HD1 LEU 39 4.892 -11.815 -0.146 314 HD13 LEU 39 3HD1 LEU 39 4.415 -12.348 1.456 315 HD21 LEU 39 3HD2 LEU 39 1.931 -12.625 0.006 316 HD22 LEU 39 1HD2 LEU 39 1.062 -11.484 1.019 317 HD23 LEU 39 2HD2 LEU 39 2.285 -12.548 1.722 318 H ALA 40 H ALA 40 1.467 -8.267 3.834 319 HA ALA 40 HA ALA 40 3.267 -6.232 4.259 320 HB1 ALA 40 1HB ALA 40 1.563 -5.035 5.273 321 HB2 ALA 40 2HB ALA 40 0.905 -6.453 6.080 322 HB3 ALA 40 3HB ALA 40 0.646 -6.225 4.341 323 H LYS 41 H LYS 41 1.972 -8.577 6.538 324 HA LYS 41 HA LYS 41 3.515 -7.749 8.780 325 HB2 LYS 41 2HB LYS 41 2.217 -10.388 8.127 326 HB3 LYS 41 1HB LYS 41 2.985 -10.033 9.676 327 HG2 LYS 41 2HG LYS 41 1.463 -8.121 9.988 328 HG3 LYS 41 1HG LYS 41 0.657 -8.489 8.458 329 HD2 LYS 41 2HD LYS 41 0.127 -10.780 9.372 330 HD3 LYS 41 1HD LYS 41 0.757 -10.262 10.930 331 HE2 LYS 41 2HE LYS 41 -1.569 -9.038 9.437 332 HE3 LYS 41 1HE LYS 41 -1.669 -10.012 10.889 333 HZ1 LYS 41 3HZ LYS 41 -1.754 -7.525 10.975 334 HZ2 LYS 41 1HZ LYS 41 -0.089 -7.452 10.909 335 HZ3 LYS 41 2HZ LYS 41 -0.857 -8.254 12.209 336 H GLU 42 H GLU 42 4.075 -10.034 6.186 337 HA GLU 42 HA GLU 42 6.305 -11.309 7.359 338 HB2 GLU 42 2HB GLU 42 4.741 -11.725 5.078 339 HB3 GLU 42 1HB GLU 42 6.306 -11.331 4.433 340 HG2 GLU 42 2HG GLU 42 6.584 -13.546 4.702 341 HG3 GLU 42 1HG GLU 42 7.145 -13.045 6.295 342 H LEU 43 H LEU 43 6.159 -8.818 4.803 343 HA LEU 43 HA LEU 43 9.095 -8.556 4.887 344 HB2 LEU 43 2HB LEU 43 6.983 -7.642 2.987 345 HB3 LEU 43 1HB LEU 43 8.587 -6.939 2.976 346 HG LEU 43 HG LEU 43 9.437 -9.424 2.965 347 HD11 LEU 43 1HD1 LEU 43 7.493 -10.573 1.426 348 HD12 LEU 43 2HD1 LEU 43 6.531 -9.679 2.618 349 HD13 LEU 43 3HD1 LEU 43 7.731 -10.849 3.151 350 HD21 LEU 43 3HD2 LEU 43 8.386 -9.110 0.316 351 HD22 LEU 43 1HD2 LEU 43 9.999 -8.701 0.900 352 HD23 LEU 43 2HD2 LEU 43 8.698 -7.507 0.953 353 H SER 44 H SER 44 6.280 -6.456 5.029 354 HA SER 44 HA SER 44 7.507 -4.154 4.793 355 HB2 SER 44 2HB SER 44 5.197 -4.349 6.664 356 HB3 SER 44 1HB SER 44 5.613 -3.154 5.404 357 HG SER 44 HG SER 44 4.565 -5.669 5.328 358 H ILE 45 H ILE 45 8.411 -2.580 6.055 359 HA ILE 45 HA ILE 45 9.245 -3.404 8.756 360 HB ILE 45 HB ILE 45 10.858 -1.556 8.628 361 HG12 ILE 45 2HG1 ILE 45 9.902 -1.214 5.765 362 HG13 ILE 45 1HG1 ILE 45 9.449 -0.123 7.078 363 HG21 ILE 45 1HG2 ILE 45 11.897 -2.560 6.301 364 HG22 ILE 45 2HG2 ILE 45 10.760 -3.822 6.740 365 HG23 ILE 45 3HG2 ILE 45 12.028 -3.342 7.874 366 HD11 ILE 45 3HD1 ILE 45 12.267 -0.412 7.206 367 HD12 ILE 45 1HD1 ILE 45 11.331 1.007 6.731 368 HD13 ILE 45 2HD1 ILE 45 11.849 -0.158 5.511 369 H ASP 46 H ASP 46 6.916 -1.535 7.209 370 HA ASP 46 HA ASP 46 6.636 0.485 9.276 371 HB2 ASP 46 2HB ASP 46 5.840 1.145 7.125 372 HB3 ASP 46 1HB ASP 46 4.886 -0.310 6.915 373 H GLY 47 H GLY 47 6.037 -0.098 11.226 374 HA2 GLY 47 2HA GLY 47 4.890 -2.510 11.946 375 HA3 GLY 47 1HA GLY 47 4.784 -1.041 12.917 376 H GLY 48 H GLY 48 3.445 0.559 11.040 377 HA2 GLY 48 2HA GLY 48 0.747 -0.029 11.540 378 HA3 GLY 48 1HA GLY 48 1.342 1.066 10.294 379 H SER 49 H SER 49 2.730 -0.574 8.607 380 HA SER 49 HA SER 49 0.644 -1.832 7.162 381 HB2 SER 49 2HB SER 49 2.430 -2.747 5.701 382 HB3 SER 49 1HB SER 49 2.614 -1.030 5.975 383 HG SER 49 HG SER 49 4.028 -2.054 7.903 384 H ALA 50 H ALA 50 2.909 -2.993 9.552 385 HA ALA 50 HA ALA 50 2.317 -5.766 9.068 386 HB1 ALA 50 1HB ALA 50 4.454 -4.879 10.115 387 HB2 ALA 50 2HB ALA 50 3.702 -6.224 10.959 388 HB3 ALA 50 3HB ALA 50 3.514 -4.581 11.573 389 H LYS 51 H LYS 51 1.420 -3.361 11.475 390 HA LYS 51 HA LYS 51 -0.239 -5.024 12.983 391 HB2 LYS 51 2HB LYS 51 -0.053 -2.047 12.820 392 HB3 LYS 51 1HB LYS 51 -1.108 -2.907 13.967 393 HG2 LYS 51 2HG LYS 51 0.751 -4.220 14.758 394 HG3 LYS 51 1HG LYS 51 1.873 -3.400 13.678 395 HD2 LYS 51 2HD LYS 51 1.284 -1.257 14.837 396 HD3 LYS 51 1HD LYS 51 0.327 -2.205 15.985 397 HE2 LYS 51 2HE LYS 51 3.297 -2.093 15.655 398 HE3 LYS 51 1HE LYS 51 2.248 -2.215 17.094 399 HZ1 LYS 51 3HZ LYS 51 1.764 -4.593 16.263 400 HZ2 LYS 51 1HZ LYS 51 3.282 -4.296 16.911 401 HZ3 LYS 51 2HZ LYS 51 3.097 -4.371 15.262 402 H ARG 52 H ARG 52 -0.824 -2.932 10.265 403 HA ARG 52 HA ARG 52 -3.725 -3.407 10.314 404 HB2 ARG 52 2HB ARG 52 -1.919 -1.669 8.642 405 HB3 ARG 52 1HB ARG 52 -3.611 -1.892 8.296 406 HG2 ARG 52 2HG ARG 52 -2.584 -0.936 10.994 407 HG3 ARG 52 1HG ARG 52 -3.055 0.170 9.720 408 HD2 ARG 52 2HD ARG 52 -4.831 -1.795 11.216 409 HD3 ARG 52 1HD ARG 52 -4.981 -0.049 11.063 410 HE ARG 52 HE ARG 52 -5.165 -1.297 8.470 411 HH11 ARG 52 1HH2 ARG 52 -6.948 -0.707 11.396 412 HH12 ARG 52 2HH2 ARG 52 -8.475 -0.839 10.634 413 HH21 ARG 52 1HH1 ARG 52 -7.126 -1.474 7.472 414 HH22 ARG 52 2HH1 ARG 52 -8.581 -1.287 8.360 415 H ASP 53 H ASP 53 -1.216 -5.177 9.439 416 HA ASP 53 HA ASP 53 -0.797 -6.760 7.844 417 HB2 ASP 53 2HB ASP 53 -3.623 -7.164 7.093 418 HB3 ASP 53 1HB ASP 53 -2.492 -8.301 7.755 419 H GLY 54 H GLY 54 -0.450 -4.328 6.959 420 HA2 GLY 54 2HA GLY 54 -0.201 -3.071 5.067 421 HA3 GLY 54 1HA GLY 54 -0.881 -4.389 4.125 422 H SER 55 H SER 55 -3.322 -4.618 5.489 423 HA SER 55 HA SER 55 -5.016 -2.979 4.072 424 HB2 SER 55 2HB SER 55 -5.877 -4.061 6.720 425 HB3 SER 55 1HB SER 55 -6.714 -4.069 5.174 426 HG SER 55 HG SER 55 -4.458 -5.615 6.002 427 H LEU 56 H LEU 56 -4.175 -0.842 4.330 428 HA LEU 56 HA LEU 56 -4.257 0.604 6.776 429 HB2 LEU 56 2HB LEU 56 -4.476 1.515 3.896 430 HB3 LEU 56 1HB LEU 56 -4.306 2.611 5.247 431 HG LEU 56 HG LEU 56 -2.317 0.445 4.488 432 HD11 LEU 56 1HD1 LEU 56 -1.916 3.418 4.378 433 HD12 LEU 56 2HD1 LEU 56 -2.508 2.492 3.006 434 HD13 LEU 56 3HD1 LEU 56 -0.912 2.148 3.690 435 HD21 LEU 56 3HD2 LEU 56 -2.647 2.144 6.901 436 HD22 LEU 56 1HD2 LEU 56 -1.027 2.151 6.209 437 HD23 LEU 56 2HD2 LEU 56 -1.762 0.631 6.694 438 H GLY 57 H GLY 57 -6.492 -0.083 4.191 439 HA2 GLY 57 2HA GLY 57 -8.824 -0.293 4.445 440 HA3 GLY 57 1HA GLY 57 -8.755 0.675 5.915 441 H TYR 58 H TYR 58 -10.358 2.084 5.178 442 HA TYR 58 HA TYR 58 -9.912 3.581 2.730 443 HB2 TYR 58 2HB TYR 58 -11.946 4.768 4.349 444 HB3 TYR 58 1HB TYR 58 -12.129 3.939 2.832 445 HD1 TYR 58 1HD TYR 58 -11.536 1.122 3.352 446 HD2 TYR 58 2HD TYR 58 -13.483 3.972 5.931 447 HE1 TYR 58 1HE TYR 58 -12.658 -0.718 4.552 448 HE2 TYR 58 2HE TYR 58 -14.597 2.126 7.121 449 HH TYR 58 HH TYR 58 -15.197 -0.550 6.179 450 H PHE 59 H PHE 59 -8.996 5.553 2.637 451 HA PHE 59 HA PHE 59 -8.915 7.217 5.024 452 HB2 PHE 59 2HB PHE 59 -6.514 7.649 4.855 453 HB3 PHE 59 1HB PHE 59 -6.812 5.958 5.218 454 HD1 PHE 59 1HD PHE 59 -6.528 4.220 3.457 455 HD2 PHE 59 2HD PHE 59 -5.562 8.346 2.705 456 HE1 PHE 59 1HE PHE 59 -5.239 3.563 1.466 457 HE2 PHE 59 2HE PHE 59 -4.291 7.674 0.711 458 HZ PHE 59 HZ PHE 59 -4.120 5.292 0.082 459 H GLY 60 H GLY 60 -8.569 9.415 4.580 460 HA2 GLY 60 2HA GLY 60 -9.488 10.108 1.927 461 HA3 GLY 60 1HA GLY 60 -9.382 11.186 3.302 462 H ARG 61 H ARG 61 -8.550 12.362 1.185 463 HA ARG 61 HA ARG 61 -5.850 11.916 0.370 464 HB2 ARG 61 2HB ARG 61 -7.762 14.234 0.004 465 HB3 ARG 61 1HB ARG 61 -6.133 14.194 -0.636 466 HG2 ARG 61 2HG ARG 61 -6.608 12.247 -1.993 467 HG3 ARG 61 1HG ARG 61 -8.206 12.068 -1.255 468 HD2 ARG 61 2HD ARG 61 -8.375 13.195 -3.453 469 HD3 ARG 61 1HD ARG 61 -8.926 14.179 -2.137 470 HE ARG 61 HE ARG 61 -6.866 15.449 -2.217 471 HH11 ARG 61 1HH2 ARG 61 -7.426 13.286 -4.912 472 HH12 ARG 61 2HH2 ARG 61 -6.366 14.108 -5.969 473 HH21 ARG 61 1HH1 ARG 61 -5.459 16.541 -3.638 474 HH22 ARG 61 2HH1 ARG 61 -5.228 15.992 -5.232 475 H GLY 62 H GLY 62 -4.101 13.227 0.808 476 HA2 GLY 62 2HA GLY 62 -2.842 14.812 1.826 477 HA3 GLY 62 1HA GLY 62 -4.255 15.405 2.678 478 H LYS 63 H LYS 63 -3.897 12.064 2.976 479 HA LYS 63 HA LYS 63 -2.859 12.406 5.704 480 HB2 LYS 63 2HB LYS 63 -4.720 10.469 4.455 481 HB3 LYS 63 1HB LYS 63 -3.766 9.880 5.793 482 HG2 LYS 63 2HG LYS 63 -5.590 12.311 5.792 483 HG3 LYS 63 1HG LYS 63 -5.919 10.786 6.592 484 HD2 LYS 63 2HD LYS 63 -3.891 12.911 7.383 485 HD3 LYS 63 1HD LYS 63 -5.136 12.157 8.337 486 HE2 LYS 63 2HE LYS 63 -3.452 10.902 9.182 487 HE3 LYS 63 1HE LYS 63 -3.626 9.916 7.751 488 HZ1 LYS 63 3HZ LYS 63 -1.369 10.845 8.430 489 HZ2 LYS 63 1HZ LYS 63 -1.813 12.295 7.763 490 HZ3 LYS 63 2HZ LYS 63 -1.680 10.894 6.805 491 H MET 64 H MET 64 -2.065 11.143 2.646 492 HA MET 64 HA MET 64 0.282 9.760 3.825 493 HB2 MET 64 2HB MET 64 -0.610 8.839 1.160 494 HB3 MET 64 1HB MET 64 -0.048 7.927 2.535 495 HG2 MET 64 2HG MET 64 -2.833 9.138 2.386 496 HG3 MET 64 1HG MET 64 -2.437 7.489 1.981 497 HE1 MET 64 3HE MET 64 -2.690 5.610 5.031 498 HE2 MET 64 1HE MET 64 -1.522 5.667 3.694 499 HE3 MET 64 2HE MET 64 -3.243 5.908 3.396 500 H VAL 65 H VAL 65 2.155 9.727 2.326 501 HA VAL 65 HA VAL 65 2.664 12.279 1.259 502 HB VAL 65 HB VAL 65 4.660 11.231 0.169 503 HG11 VAL 65 1HG1 VAL 65 5.759 10.571 2.216 504 HG12 VAL 65 2HG1 VAL 65 4.207 10.278 3.008 505 HG13 VAL 65 3HG1 VAL 65 4.675 11.916 2.558 506 HG21 VAL 65 3HG2 VAL 65 3.548 9.051 -0.383 507 HG22 VAL 65 1HG2 VAL 65 3.562 8.637 1.337 508 HG23 VAL 65 2HG2 VAL 65 5.081 8.852 0.471 509 H LYS 66 H LYS 66 2.392 13.142 -0.741 510 HA LYS 66 HA LYS 66 0.226 12.475 -2.182 511 HB2 LYS 66 2HB LYS 66 1.828 14.542 -2.405 512 HB3 LYS 66 1HB LYS 66 2.475 13.635 -3.773 513 HG2 LYS 66 2HG LYS 66 -0.167 13.326 -4.289 514 HG3 LYS 66 1HG LYS 66 -0.230 14.855 -3.424 515 HD2 LYS 66 2HD LYS 66 0.671 16.007 -5.138 516 HD3 LYS 66 1HD LYS 66 1.936 14.831 -5.427 517 HE2 LYS 66 2HE LYS 66 -0.919 14.263 -6.225 518 HE3 LYS 66 1HE LYS 66 0.149 15.183 -7.271 519 HZ1 LYS 66 3HZ LYS 66 1.096 12.610 -6.183 520 HZ2 LYS 66 1HZ LYS 66 1.556 13.411 -7.574 521 HZ3 LYS 66 2HZ LYS 66 0.079 12.603 -7.560 522 HA PRO 67 HA PRO 67 2.696 9.912 -5.440 523 HB2 PRO 67 2HB PRO 67 4.695 8.385 -4.319 524 HB3 PRO 67 1HB PRO 67 4.964 9.888 -5.212 525 HG2 PRO 67 2HG PRO 67 4.858 9.469 -2.253 526 HG3 PRO 67 1HG PRO 67 5.936 10.481 -3.216 527 HD2 PRO 67 2HD PRO 67 3.958 11.649 -1.937 528 HD3 PRO 67 1HD PRO 67 4.372 12.158 -3.577 529 H PHE 68 H PHE 68 2.472 9.032 -2.065 530 HA PHE 68 HA PHE 68 1.743 6.290 -2.395 531 HB2 PHE 68 2HB PHE 68 2.516 7.235 -0.241 532 HB3 PHE 68 1HB PHE 68 1.021 8.166 -0.117 533 HD1 PHE 68 1HD PHE 68 -1.154 7.007 0.198 534 HD2 PHE 68 2HD PHE 68 2.577 4.858 0.136 535 HE1 PHE 68 1HE PHE 68 -2.255 5.038 1.211 536 HE2 PHE 68 2HE PHE 68 1.470 2.914 1.130 537 HZ PHE 68 HZ PHE 68 -0.962 2.997 1.675 538 H GLU 69 H GLU 69 -0.142 9.248 -1.870 539 HA GLU 69 HA GLU 69 -2.681 7.964 -2.150 540 HB2 GLU 69 2HB GLU 69 -1.881 10.879 -2.322 541 HB3 GLU 69 1HB GLU 69 -3.546 10.368 -2.431 542 HG2 GLU 69 2HG GLU 69 -3.379 9.269 -0.219 543 HG3 GLU 69 1HG GLU 69 -1.680 9.744 -0.144 544 H ASP 70 H ASP 70 -0.653 9.770 -4.365 545 HA ASP 70 HA ASP 70 -2.370 9.849 -6.585 546 HB2 ASP 70 2HB ASP 70 -0.040 10.959 -6.223 547 HB3 ASP 70 1HB ASP 70 0.613 9.463 -6.860 548 H ALA 71 H ALA 71 0.114 7.494 -5.691 549 HA ALA 71 HA ALA 71 -0.374 5.712 -7.831 550 HB1 ALA 71 1HB ALA 71 0.809 5.252 -5.093 551 HB2 ALA 71 2HB ALA 71 1.685 5.504 -6.607 552 HB3 ALA 71 3HB ALA 71 0.759 4.024 -6.353 553 H ALA 72 H ALA 72 -1.705 5.955 -4.572 554 HA ALA 72 HA ALA 72 -3.099 3.499 -4.588 555 HB1 ALA 72 1HB ALA 72 -2.564 4.991 -2.587 556 HB2 ALA 72 2HB ALA 72 -4.148 4.232 -2.610 557 HB3 ALA 72 3HB ALA 72 -3.968 5.936 -3.077 558 H PHE 73 H PHE 73 -4.113 6.747 -5.518 559 HA PHE 73 HA PHE 73 -6.825 6.050 -6.051 560 HB2 PHE 73 2HB PHE 73 -5.126 8.374 -6.948 561 HB3 PHE 73 1HB PHE 73 -6.761 8.149 -7.538 562 HD1 PHE 73 2HD PHE 73 -8.632 7.700 -5.725 563 HD2 PHE 73 1HD PHE 73 -4.817 9.503 -4.876 564 HE1 PHE 73 2HE PHE 73 -9.540 8.654 -3.642 565 HE2 PHE 73 1HE PHE 73 -5.722 10.442 -2.802 566 HZ PHE 73 HZ PHE 73 -8.113 10.021 -2.172 567 H ARG 74 H ARG 74 -3.954 5.906 -7.952 568 HA ARG 74 HA ARG 74 -5.125 5.621 -10.482 569 HB2 ARG 74 2HB ARG 74 -2.476 4.647 -9.418 570 HB3 ARG 74 1HB ARG 74 -2.950 4.529 -11.116 571 HG2 ARG 74 2HG ARG 74 -3.248 6.941 -11.266 572 HG3 ARG 74 1HG ARG 74 -2.912 7.150 -9.567 573 HD2 ARG 74 2HD ARG 74 -0.876 7.674 -10.752 574 HD3 ARG 74 1HD ARG 74 -0.642 6.157 -9.938 575 HE ARG 74 HE ARG 74 -0.575 5.048 -11.994 576 HH11 ARG 74 1HH2 ARG 74 -1.722 8.317 -12.335 577 HH12 ARG 74 2HH2 ARG 74 -1.501 8.372 -14.036 578 HH21 ARG 74 1HH1 ARG 74 -0.283 5.106 -14.290 579 HH22 ARG 74 2HH1 ARG 74 -0.688 6.533 -15.143 580 H LEU 75 H LEU 75 -4.444 3.227 -7.990 581 HA LEU 75 HA LEU 75 -5.204 1.060 -9.811 582 HB2 LEU 75 2HB LEU 75 -4.155 0.812 -6.994 583 HB3 LEU 75 1HB LEU 75 -4.365 -0.473 -8.154 584 HG LEU 75 HG LEU 75 -2.484 1.889 -8.490 585 HD11 LEU 75 1HD1 LEU 75 -1.131 0.628 -7.252 586 HD12 LEU 75 2HD1 LEU 75 -1.065 -0.480 -8.638 587 HD13 LEU 75 3HD1 LEU 75 -2.195 -0.776 -7.333 588 HD21 LEU 75 3HD2 LEU 75 -2.841 1.432 -10.703 589 HD22 LEU 75 1HD2 LEU 75 -3.514 -0.168 -10.400 590 HD23 LEU 75 2HD2 LEU 75 -1.777 0.065 -10.405 591 H GLN 76 H GLN 76 -7.297 2.896 -8.554 592 HA GLN 76 HA GLN 76 -8.707 1.697 -6.544 593 HB2 GLN 76 2HB GLN 76 -9.895 3.021 -8.997 594 HB3 GLN 76 1HB GLN 76 -10.847 2.498 -7.616 595 HG2 GLN 76 2HG GLN 76 -9.393 3.922 -6.122 596 HG3 GLN 76 1HG GLN 76 -8.582 4.512 -7.554 597 HE21 GLN 76 1HE2 GLN 76 -9.367 6.633 -7.882 598 HE22 GLN 76 2HE2 GLN 76 -11.023 7.016 -7.878 599 H VAL 77 H VAL 77 -8.289 0.351 -9.690 600 HA VAL 77 HA VAL 77 -10.450 -1.432 -9.771 601 HB VAL 77 HB VAL 77 -8.967 -0.955 -11.688 602 HG11 VAL 77 1HG1 VAL 77 -6.848 -1.155 -10.144 603 HG12 VAL 77 2HG1 VAL 77 -6.761 -1.617 -11.839 604 HG13 VAL 77 3HG1 VAL 77 -6.922 -2.859 -10.608 605 HG21 VAL 77 3HG2 VAL 77 -10.353 -3.066 -11.652 606 HG22 VAL 77 1HG2 VAL 77 -8.973 -3.904 -10.947 607 HG23 VAL 77 2HG2 VAL 77 -8.851 -3.258 -12.563 608 H GLY 78 H GLY 78 -7.523 -1.548 -7.878 609 HA2 GLY 78 2HA GLY 78 -7.747 -3.069 -5.796 610 HA3 GLY 78 1HA GLY 78 -8.266 -4.256 -6.947 611 H GLU 79 H GLU 79 -6.114 -2.675 -8.634 612 HA GLU 79 HA GLU 79 -4.308 -4.752 -8.813 613 HB2 GLU 79 2HB GLU 79 -4.621 -2.120 -9.941 614 HB3 GLU 79 1HB GLU 79 -2.945 -2.408 -9.538 615 HG2 GLU 79 2HG GLU 79 -4.460 -4.588 -10.960 616 HG3 GLU 79 1HG GLU 79 -3.892 -3.198 -11.871 617 H VAL 80 H VAL 80 -1.891 -4.386 -8.587 618 HA VAL 80 HA VAL 80 -1.220 -3.461 -5.845 619 HB VAL 80 HB VAL 80 0.548 -5.234 -7.480 620 HG11 VAL 80 1HG1 VAL 80 1.538 -4.439 -5.494 621 HG12 VAL 80 2HG1 VAL 80 1.075 -6.117 -5.181 622 HG13 VAL 80 3HG1 VAL 80 0.098 -4.804 -4.528 623 HG21 VAL 80 3HG2 VAL 80 -2.001 -6.050 -6.102 624 HG22 VAL 80 1HG2 VAL 80 -0.600 -7.123 -6.048 625 HG23 VAL 80 2HG2 VAL 80 -1.303 -6.666 -7.609 626 H SER 81 H SER 81 0.078 -1.707 -5.788 627 HA SER 81 HA SER 81 0.921 -0.408 -8.168 628 HB2 SER 81 2HB SER 81 2.033 1.152 -6.707 629 HB3 SER 81 1HB SER 81 0.482 0.756 -5.979 630 HG SER 81 HG SER 81 3.102 -0.018 -5.315 631 H GLU 82 H GLU 82 2.939 -0.194 -9.060 632 HA GLU 82 HA GLU 82 4.825 -2.327 -8.710 633 HB2 GLU 82 2HB GLU 82 5.568 0.363 -9.887 634 HB3 GLU 82 1HB GLU 82 6.073 -1.247 -10.373 635 HG2 GLU 82 2HG GLU 82 4.599 -0.899 -12.048 636 HG3 GLU 82 1HG GLU 82 3.503 -1.540 -10.837 637 HA PRO 83 HA PRO 83 7.228 -0.717 -5.360 638 HB2 PRO 83 2HB PRO 83 9.375 0.266 -7.188 639 HB3 PRO 83 1HB PRO 83 9.499 -0.779 -5.753 640 HG2 PRO 83 2HG PRO 83 9.727 -1.794 -8.172 641 HG3 PRO 83 1HG PRO 83 8.844 -2.680 -6.913 642 HD2 PRO 83 2HD PRO 83 7.692 -1.201 -9.273 643 HD3 PRO 83 1HD PRO 83 7.121 -2.643 -8.423 644 H VAL 84 H VAL 84 6.895 1.204 -4.305 645 HA VAL 84 HA VAL 84 6.767 3.724 -5.859 646 HB VAL 84 HB VAL 84 5.304 2.827 -3.362 647 HG11 VAL 84 1HG1 VAL 84 5.856 5.554 -4.375 648 HG12 VAL 84 2HG1 VAL 84 5.469 4.979 -2.756 649 HG13 VAL 84 3HG1 VAL 84 4.185 5.225 -3.914 650 HG21 VAL 84 3HG2 VAL 84 4.504 2.221 -5.796 651 HG22 VAL 84 1HG2 VAL 84 3.987 3.914 -5.847 652 HG23 VAL 84 2HG2 VAL 84 3.356 2.821 -4.611 653 H LYS 85 H LYS 85 8.296 5.202 -5.230 654 HA LYS 85 HA LYS 85 9.689 4.608 -2.703 655 HB2 LYS 85 2HB LYS 85 11.184 4.906 -4.660 656 HB3 LYS 85 1HB LYS 85 10.598 6.576 -4.812 657 HG2 LYS 85 2HG LYS 85 11.271 7.078 -2.539 658 HG3 LYS 85 1HG LYS 85 11.843 5.427 -2.294 659 HD2 LYS 85 2HD LYS 85 13.520 5.797 -4.090 660 HD3 LYS 85 1HD LYS 85 12.977 7.463 -4.250 661 HE2 LYS 85 2HE LYS 85 14.344 6.186 -1.861 662 HE3 LYS 85 1HE LYS 85 14.802 7.606 -2.794 663 HZ1 LYS 85 3HZ LYS 85 13.029 8.866 -1.867 664 HZ2 LYS 85 1HZ LYS 85 13.823 8.113 -0.620 665 HZ3 LYS 85 2HZ LYS 85 12.314 7.547 -1.081 666 H SER 86 H SER 86 9.449 5.812 -0.992 667 HA SER 86 HA SER 86 8.131 8.427 -1.273 668 HB2 SER 86 2HB SER 86 7.276 8.100 0.944 669 HB3 SER 86 1HB SER 86 6.829 6.705 -0.017 670 HG SER 86 HG SER 86 8.151 5.488 1.122 671 H GLU 87 H GLU 87 8.709 9.535 0.919 672 HA GLU 87 HA GLU 87 11.549 9.959 1.046 673 HB2 GLU 87 2HB GLU 87 10.477 11.054 3.375 674 HB3 GLU 87 1HB GLU 87 10.707 11.910 1.865 675 HG2 GLU 87 2HG GLU 87 8.140 10.420 2.595 676 HG3 GLU 87 1HG GLU 87 8.406 12.131 2.776 677 H PHE 88 H PHE 88 9.055 8.183 2.709 678 HA PHE 88 HA PHE 88 10.494 7.294 4.999 679 HB2 PHE 88 2HB PHE 88 8.102 6.132 3.549 680 HB3 PHE 88 1HB PHE 88 8.729 5.520 5.062 681 HD1 PHE 88 2HD PHE 88 8.946 7.181 7.047 682 HD2 PHE 88 1HD PHE 88 6.597 7.959 3.527 683 HE1 PHE 88 2HE PHE 88 7.668 8.887 8.277 684 HE2 PHE 88 1HE PHE 88 5.314 9.674 4.764 685 HZ PHE 88 HZ PHE 88 5.848 10.137 7.151 686 H GLY 89 H GLY 89 9.837 5.860 1.839 687 HA2 GLY 89 2HA GLY 89 12.141 4.489 1.323 688 HA3 GLY 89 1HA GLY 89 11.295 3.436 2.454 689 H TYR 90 H TYR 90 11.147 1.855 0.725 690 HA TYR 90 HA TYR 90 9.577 2.541 -1.598 691 HB2 TYR 90 2HB TYR 90 10.731 -0.109 -0.698 692 HB3 TYR 90 1HB TYR 90 9.912 0.163 -2.207 693 HD1 TYR 90 2HD TYR 90 10.811 2.004 -3.793 694 HD2 TYR 90 1HD TYR 90 13.047 0.387 -0.513 695 HE1 TYR 90 2HE TYR 90 12.898 2.816 -4.818 696 HE2 TYR 90 1HE TYR 90 15.137 1.193 -1.526 697 HH TYR 90 HH TYR 90 15.713 1.742 -4.253 698 H HIS 91 H HIS 91 7.447 2.047 -1.893 699 HA HIS 91 HA HIS 91 6.090 0.445 0.181 700 HB2 HIS 91 2HB HIS 91 4.876 2.770 -1.337 701 HB3 HIS 91 1HB HIS 91 4.070 1.757 -0.155 702 HD1 HIS 91 1HD HIS 91 4.230 2.463 2.230 703 HD2 HIS 91 2HD HIS 91 7.091 4.308 -0.164 704 HE1 HIS 91 1HE HIS 91 5.347 4.214 3.687 705 H VAL 92 H VAL 92 4.514 -0.915 -0.522 706 HA VAL 92 HA VAL 92 3.948 -1.073 -3.411 707 HB VAL 92 HB VAL 92 3.982 -3.384 -1.434 708 HG11 VAL 92 1HG1 VAL 92 3.309 -3.259 -4.383 709 HG12 VAL 92 2HG1 VAL 92 2.253 -3.728 -3.052 710 HG13 VAL 92 3HG1 VAL 92 3.611 -4.749 -3.488 711 HG21 VAL 92 3HG2 VAL 92 5.868 -2.552 -3.651 712 HG22 VAL 92 1HG2 VAL 92 5.807 -4.210 -3.037 713 HG23 VAL 92 2HG2 VAL 92 6.239 -2.872 -1.964 714 H ILE 93 H ILE 93 1.823 -0.618 -3.811 715 HA ILE 93 HA ILE 93 0.022 -0.611 -1.463 716 HB ILE 93 HB ILE 93 0.086 1.200 -3.863 717 HG12 ILE 93 2HG1 ILE 93 0.661 1.824 -0.943 718 HG13 ILE 93 1HG1 ILE 93 1.920 1.566 -2.152 719 HG21 ILE 93 1HG2 ILE 93 -1.661 1.219 -1.367 720 HG22 ILE 93 2HG2 ILE 93 -2.223 0.884 -3.012 721 HG23 ILE 93 3HG2 ILE 93 -1.637 2.485 -2.583 722 HD11 ILE 93 3HD1 ILE 93 1.732 3.861 -2.265 723 HD12 ILE 93 1HD1 ILE 93 0.024 3.857 -1.856 724 HD13 ILE 93 2HD1 ILE 93 0.530 3.427 -3.481 725 H LYS 94 H LYS 94 -1.686 -1.860 -1.624 726 HA LYS 94 HA LYS 94 -2.683 -2.572 -4.317 727 HB2 LYS 94 2HB LYS 94 -1.928 -4.569 -3.049 728 HB3 LYS 94 1HB LYS 94 -3.088 -4.168 -1.768 729 HG2 LYS 94 2HG LYS 94 -4.923 -4.246 -3.440 730 HG3 LYS 94 1HG LYS 94 -3.766 -4.720 -4.680 731 HD2 LYS 94 2HD LYS 94 -3.225 -6.752 -3.381 732 HD3 LYS 94 1HD LYS 94 -4.422 -6.295 -2.173 733 HE2 LYS 94 2HE LYS 94 -4.850 -7.215 -5.002 734 HE3 LYS 94 1HE LYS 94 -5.679 -7.727 -3.541 735 HZ1 LYS 94 3HZ LYS 94 -6.562 -5.210 -3.571 736 HZ2 LYS 94 1HZ LYS 94 -7.225 -6.378 -4.602 737 HZ3 LYS 94 2HZ LYS 94 -6.086 -5.338 -5.194 738 H ARG 95 H ARG 95 -4.859 -2.279 -4.651 739 HA ARG 95 HA ARG 95 -6.120 -0.538 -2.711 740 HB2 ARG 95 2HB ARG 95 -6.432 -0.584 -5.435 741 HB3 ARG 95 1HB ARG 95 -7.853 -1.477 -4.915 742 HG2 ARG 95 2HG ARG 95 -7.263 0.961 -3.347 743 HG3 ARG 95 1HG ARG 95 -7.824 1.242 -4.981 744 HD2 ARG 95 2HD ARG 95 -9.215 -0.552 -2.965 745 HD3 ARG 95 1HD ARG 95 -9.662 1.115 -3.276 746 HE ARG 95 HE ARG 95 -9.747 -0.137 -5.761 747 HH11 ARG 95 1HH2 ARG 95 -11.193 -0.714 -2.616 748 HH12 ARG 95 2HH2 ARG 95 -12.657 -1.284 -3.307 749 HH21 ARG 95 1HH1 ARG 95 -11.667 -0.894 -6.612 750 HH22 ARG 95 2HH1 ARG 95 -12.937 -1.407 -5.579 751 H LEU 96 H LEU 96 -7.828 -0.940 -1.492 752 HA LEU 96 HA LEU 96 -8.399 -3.766 -0.978 753 HB2 LEU 96 2HB LEU 96 -7.287 -2.570 0.862 754 HB3 LEU 96 1HB LEU 96 -8.537 -1.335 0.819 755 HG LEU 96 HG LEU 96 -10.242 -3.125 1.279 756 HD11 LEU 96 1HD1 LEU 96 -7.721 -4.774 1.617 757 HD12 LEU 96 2HD1 LEU 96 -9.122 -5.117 0.603 758 HD13 LEU 96 3HD1 LEU 96 -9.258 -5.207 2.359 759 HD21 LEU 96 3HD2 LEU 96 -9.771 -1.896 3.201 760 HD22 LEU 96 1HD2 LEU 96 -8.066 -2.337 3.208 761 HD23 LEU 96 2HD2 LEU 96 -9.279 -3.498 3.724 762 H GLY 97 H GLY 97 -10.463 -4.410 -1.057 763 HA2 GLY 97 2HA GLY 97 -12.524 -2.431 -1.818 764 HA3 GLY 97 1HA GLY 97 -12.532 -4.131 -2.249
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