NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7404 | 1kft | 5217 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 23 H THR 23 -2.161 8.687 12.498 2 HA THR 23 HA THR 23 -4.351 9.274 13.690 3 HB THR 23 HB THR 23 -4.594 11.706 12.126 4 HG1 THR 23 HG1 THR 23 -2.396 11.377 13.847 5 1HG2 THR 23 1HG2 THR 23 -4.858 11.069 15.065 6 H SER 24 H SER 24 -2.818 9.611 10.611 7 HA SER 24 HA SER 24 -5.118 9.492 8.976 8 1HB SER 24 1HB SER 24 -2.359 8.513 8.254 9 2HB SER 24 2HB SER 24 -3.615 9.116 7.170 10 HG SER 24 HG SER 24 -3.277 11.026 8.875 11 H SER 25 H SER 25 -6.444 7.887 8.645 12 HA SER 25 HA SER 25 -6.004 5.287 9.732 13 1HB SER 25 1HB SER 25 -8.164 6.330 7.883 14 2HB SER 25 2HB SER 25 -8.215 4.788 8.737 15 HG SER 25 HG SER 25 -8.703 5.786 10.542 16 H LEU 26 H LEU 26 -3.981 5.898 7.924 17 HA LEU 26 HA LEU 26 -4.267 5.046 5.307 18 1HB LEU 26 1HB LEU 26 -1.820 4.579 6.993 19 2HB LEU 26 2HB LEU 26 -1.904 4.823 5.260 20 HG LEU 26 HG LEU 26 -2.466 6.901 7.369 21 1HD1 LEU 26 1HD1 LEU 26 -0.248 6.674 5.346 22 1HD2 LEU 26 1HD2 LEU 26 -3.933 7.280 5.513 23 H GLU 27 H GLU 27 -3.896 3.193 8.230 24 HA GLU 27 HA GLU 27 -3.427 0.703 6.850 25 1HB GLU 27 1HB GLU 27 -3.518 -0.268 9.096 26 2HB GLU 27 2HB GLU 27 -2.433 1.115 9.033 27 1HG GLU 27 1HG GLU 27 -4.539 2.436 9.819 28 2HG GLU 27 2HG GLU 27 -5.093 0.847 10.348 29 H THR 28 H THR 28 -6.122 2.551 7.710 30 HA THR 28 HA THR 28 -7.883 0.292 7.123 31 HB THR 28 HB THR 28 -7.964 0.485 9.528 32 HG1 THR 28 HG1 THR 28 -10.198 1.489 8.105 33 1HG2 THR 28 1HG2 THR 28 -8.319 2.449 10.731 34 H ILE 29 H ILE 29 -6.885 2.293 5.496 35 HA ILE 29 HA ILE 29 -8.297 4.598 5.062 36 HB ILE 29 HB ILE 29 -7.641 2.831 2.736 37 2HG1 ILE 29 2HG1 ILE 29 -5.770 2.531 4.273 38 1HG2 ILE 29 1HG2 ILE 29 -8.557 4.994 2.229 39 1HD1 ILE 29 1HD1 ILE 29 -5.074 4.373 2.013 40 H GLU 30 H GLU 30 -9.947 5.027 3.346 41 HA GLU 30 HA GLU 30 -12.303 3.637 3.787 42 1HB GLU 30 1HB GLU 30 -12.965 4.781 1.505 43 2HB GLU 30 2HB GLU 30 -12.713 5.741 2.956 44 1HG GLU 30 1HG GLU 30 -10.412 5.237 1.136 45 2HG GLU 30 2HG GLU 30 -11.620 6.440 0.684 46 H GLY 31 H GLY 31 -9.811 2.284 2.530 47 1HA GLY 31 1HA GLY 31 -11.246 0.175 1.292 48 2HA GLY 31 2HA GLY 31 -10.332 1.112 0.113 49 H VAL 32 H VAL 32 -9.457 0.501 3.429 50 HA VAL 32 HA VAL 32 -7.592 -1.558 2.721 51 HB VAL 32 HB VAL 32 -6.808 1.213 3.117 52 1HG1 VAL 32 1HG1 VAL 32 -4.744 0.629 4.361 53 1HG2 VAL 32 1HG2 VAL 32 -4.997 -0.969 2.267 54 H GLY 33 H GLY 33 -6.671 -2.518 4.500 55 1HA GLY 33 1HA GLY 33 -6.488 -2.406 7.028 56 2HA GLY 33 2HA GLY 33 -8.229 -2.167 6.976 57 HA PRO 34 HA PRO 34 -8.912 -6.497 6.385 58 1HB PRO 34 1HB PRO 34 -9.838 -7.040 3.923 59 2HB PRO 34 2HB PRO 34 -10.767 -6.081 5.079 60 1HG PRO 34 1HG PRO 34 -9.112 -5.191 2.764 61 2HG PRO 34 2HG PRO 34 -10.681 -4.581 3.310 62 1HD PRO 34 1HD PRO 34 -8.273 -3.370 3.847 63 2HD PRO 34 2HD PRO 34 -9.729 -3.185 4.850 64 H LYS 35 H LYS 35 -7.194 -5.453 3.453 65 HA LYS 35 HA LYS 35 -5.047 -7.236 3.831 66 1HB LYS 35 1HB LYS 35 -5.550 -8.681 1.822 67 2HB LYS 35 2HB LYS 35 -6.494 -9.011 3.265 68 1HG LYS 35 1HG LYS 35 -8.217 -7.408 2.184 69 2HG LYS 35 2HG LYS 35 -7.337 -7.767 0.696 70 1HD LYS 35 1HD LYS 35 -8.605 -9.781 2.544 71 2HD LYS 35 2HD LYS 35 -9.233 -9.268 0.977 72 1HE LYS 35 1HE LYS 35 -7.416 -10.253 -0.178 73 2HE LYS 35 2HE LYS 35 -6.515 -10.512 1.316 74 1HZ LYS 35 1HZ LYS 35 -7.955 -12.228 1.952 75 2HZ LYS 35 2HZ LYS 35 -7.671 -12.507 0.315 76 3HZ LYS 35 3HZ LYS 35 -9.127 -11.809 0.811 77 H ARG 36 H ARG 36 -6.832 -5.019 1.948 78 HA ARG 36 HA ARG 36 -5.571 -4.765 -0.412 79 1HB ARG 36 1HB ARG 36 -7.212 -3.139 1.024 80 2HB ARG 36 2HB ARG 36 -5.738 -2.209 1.006 81 1HG ARG 36 1HG ARG 36 -6.123 -3.136 -1.603 82 2HG ARG 36 2HG ARG 36 -7.681 -2.532 -1.034 83 1HD ARG 36 1HD ARG 36 -6.671 -0.431 -0.418 84 2HD ARG 36 2HD ARG 36 -5.086 -1.045 -0.872 85 HE ARG 36 HE ARG 36 -5.702 -0.876 -3.148 86 1HH1 ARG 36 1HH1 ARG 36 -8.249 0.135 -0.985 87 1HH2 ARG 36 1HH2 ARG 36 -6.852 0.297 -4.758 88 H ARG 37 H ARG 37 -4.360 -3.604 2.698 89 HA ARG 37 HA ARG 37 -1.978 -2.494 1.691 90 1HB ARG 37 1HB ARG 37 -2.679 -3.591 4.418 91 2HB ARG 37 2HB ARG 37 -1.160 -2.782 4.061 92 1HG ARG 37 1HG ARG 37 -3.904 -1.591 3.806 93 2HG ARG 37 2HG ARG 37 -2.734 -1.243 5.082 94 1HD ARG 37 1HD ARG 37 -1.175 -0.639 3.076 95 2HD ARG 37 2HD ARG 37 -2.689 -0.488 2.186 96 HE ARG 37 HE ARG 37 -3.317 1.296 3.665 97 1HH1 ARG 37 1HH1 ARG 37 -0.037 0.155 4.080 98 1HH2 ARG 37 1HH2 ARG 37 -2.534 3.299 4.423 99 H GLN 38 H GLN 38 -2.745 -5.639 3.083 100 HA GLN 38 HA GLN 38 -0.264 -6.839 2.908 101 1HB GLN 38 1HB GLN 38 -2.968 -7.654 3.347 102 2HB GLN 38 2HB GLN 38 -2.227 -8.766 2.202 103 1HG GLN 38 1HG GLN 38 -0.372 -9.112 3.757 104 2HG GLN 38 2HG GLN 38 -1.157 -8.043 4.917 105 1HE2 GLN 38 1HE2 GLN 38 -1.273 -9.710 6.439 106 H MET 39 H MET 39 -2.667 -6.183 0.455 107 HA MET 39 HA MET 39 -1.981 -7.853 -1.578 108 1HB MET 39 1HB MET 39 -2.520 -4.887 -1.753 109 2HB MET 39 2HB MET 39 -2.464 -5.954 -3.146 110 1HG MET 39 1HG MET 39 -4.338 -7.221 -2.292 111 2HG MET 39 2HG MET 39 -4.368 -6.233 -0.833 112 1HE MET 39 1HE MET 39 -7.102 -5.780 -1.378 113 2HE MET 39 2HE MET 39 -6.783 -6.912 -2.687 114 3HE MET 39 3HE MET 39 -7.608 -5.387 -3.019 115 H LEU 40 H LEU 40 -0.369 -4.808 -0.712 116 HA LEU 40 HA LEU 40 1.641 -4.746 -2.525 117 1HB LEU 40 1HB LEU 40 1.627 -4.104 0.409 118 2HB LEU 40 2HB LEU 40 3.033 -3.796 -0.602 119 HG LEU 40 HG LEU 40 1.726 -1.782 -0.397 120 1HD1 LEU 40 1HD1 LEU 40 1.445 -1.265 -2.724 121 1HD2 LEU 40 1HD2 LEU 40 -0.452 -2.724 0.092 122 H LEU 41 H LEU 41 1.561 -6.632 0.481 123 HA LEU 41 HA LEU 41 4.092 -7.843 -0.074 124 1HB LEU 41 1HB LEU 41 2.014 -8.202 2.015 125 2HB LEU 41 2HB LEU 41 3.204 -9.470 1.772 126 HG LEU 41 HG LEU 41 4.944 -7.609 1.926 127 1HD1 LEU 41 1HD1 LEU 41 2.507 -6.186 2.712 128 1HD2 LEU 41 1HD2 LEU 41 4.599 -7.594 4.514 129 H LYS 42 H LYS 42 0.784 -8.558 -0.757 130 HA LYS 42 HA LYS 42 1.253 -11.239 -1.570 131 1HB LYS 42 1HB LYS 42 -0.911 -9.232 -2.122 132 2HB LYS 42 2HB LYS 42 -0.854 -10.739 -3.030 133 1HG LYS 42 1HG LYS 42 -2.334 -10.816 -1.044 134 2HG LYS 42 2HG LYS 42 -1.057 -12.030 -1.040 135 1HD LYS 42 1HD LYS 42 0.267 -10.641 0.474 136 2HD LYS 42 2HD LYS 42 -1.005 -9.421 0.457 137 1HE LYS 42 1HE LYS 42 -0.993 -10.972 2.449 138 2HE LYS 42 2HE LYS 42 -2.523 -10.837 1.584 139 1HZ LYS 42 1HZ LYS 42 -1.983 -12.915 0.437 140 2HZ LYS 42 2HZ LYS 42 -2.055 -13.126 2.109 141 3HZ LYS 42 3HZ LYS 42 -0.559 -13.053 1.332 142 H TYR 43 H TYR 43 1.938 -8.167 -2.705 143 HA TYR 43 HA TYR 43 2.481 -8.939 -5.453 144 1HB TYR 43 1HB TYR 43 2.162 -6.418 -3.937 145 2HB TYR 43 2HB TYR 43 3.332 -6.366 -5.248 146 HD1 TYR 43 HD1 TYR 43 2.588 -5.814 -7.354 147 HD2 TYR 43 HD2 TYR 43 -0.174 -7.478 -4.583 148 HE1 TYR 43 HE1 TYR 43 0.772 -5.484 -8.973 149 HE2 TYR 43 HE2 TYR 43 -2.001 -7.149 -6.199 150 HH TYR 43 HH TYR 43 -1.391 -6.250 -9.494 151 H MET 44 H MET 44 4.174 -7.988 -2.504 152 HA MET 44 HA MET 44 6.748 -8.490 -3.836 153 1HB MET 44 1HB MET 44 7.769 -7.218 -2.008 154 2HB MET 44 2HB MET 44 6.555 -6.274 -2.857 155 1HG MET 44 1HG MET 44 4.949 -6.789 -1.052 156 2HG MET 44 2HG MET 44 6.232 -7.612 -0.161 157 1HE MET 44 1HE MET 44 5.312 -4.279 -1.988 158 2HE MET 44 2HE MET 44 7.031 -4.446 -2.349 159 3HE MET 44 3HE MET 44 6.476 -3.148 -1.297 160 H GLY 45 H GLY 45 4.850 -9.257 -0.983 161 1HA GLY 45 1HA GLY 45 4.856 -11.240 0.221 162 2HA GLY 45 2HA GLY 45 6.250 -11.769 -0.713 163 H GLY 46 H GLY 46 6.004 -8.704 1.007 164 1HA GLY 46 1HA GLY 46 7.256 -9.451 3.374 165 2HA GLY 46 2HA GLY 46 8.528 -9.101 2.219 166 H LEU 47 H LEU 47 6.412 -7.825 4.479 167 HA LEU 47 HA LEU 47 5.741 -5.323 3.704 168 1HB LEU 47 1HB LEU 47 6.072 -6.668 6.155 169 2HB LEU 47 2HB LEU 47 6.935 -5.153 6.317 170 HG LEU 47 HG LEU 47 4.007 -5.532 5.711 171 1HD1 LEU 47 1HD1 LEU 47 5.285 -3.943 7.907 172 1HD2 LEU 47 1HD2 LEU 47 3.901 -3.057 5.670 173 H GLN 48 H GLN 48 8.923 -6.423 4.750 174 HA GLN 48 HA GLN 48 10.319 -4.092 4.933 175 1HB GLN 48 1HB GLN 48 11.298 -6.353 5.209 176 2HB GLN 48 2HB GLN 48 11.252 -6.555 3.463 177 1HG GLN 48 1HG GLN 48 13.470 -5.891 4.493 178 2HG GLN 48 2HG GLN 48 12.907 -4.939 3.117 179 1HE2 GLN 48 1HE2 GLN 48 12.238 -2.818 3.440 180 H GLY 49 H GLY 49 9.740 -5.931 1.959 181 1HA GLY 49 1HA GLY 49 10.905 -4.136 0.172 182 2HA GLY 49 2HA GLY 49 9.593 -5.245 -0.229 183 H LEU 50 H LEU 50 7.734 -4.210 1.639 184 HA LEU 50 HA LEU 50 6.632 -2.121 0.079 185 1HB LEU 50 1HB LEU 50 5.187 -3.676 1.194 186 2HB LEU 50 2HB LEU 50 5.896 -3.304 2.751 187 HG LEU 50 HG LEU 50 4.937 -1.126 2.739 188 1HD1 LEU 50 1HD1 LEU 50 3.607 -0.256 0.944 189 1HD2 LEU 50 1HD2 LEU 50 3.168 -3.461 2.225 190 H ARG 51 H ARG 51 8.446 -2.363 3.005 191 HA ARG 51 HA ARG 51 8.162 0.364 3.784 192 1HB ARG 51 1HB ARG 51 10.230 -1.696 4.561 193 2HB ARG 51 2HB ARG 51 9.945 -0.166 5.386 194 1HG ARG 51 1HG ARG 51 7.474 -1.503 5.229 195 2HG ARG 51 2HG ARG 51 8.668 -2.673 5.776 196 1HD ARG 51 1HD ARG 51 9.358 -1.196 7.563 197 2HD ARG 51 2HD ARG 51 8.256 0.056 6.991 198 HE ARG 51 HE ARG 51 7.049 -2.488 7.699 199 1HH1 ARG 51 1HH1 ARG 51 7.883 0.753 8.685 200 1HH2 ARG 51 1HH2 ARG 51 5.563 -2.462 9.436 201 H ASN 52 H ASN 52 10.069 -1.458 1.666 202 HA ASN 52 HA ASN 52 12.054 0.645 1.271 203 1HB ASN 52 1HB ASN 52 11.742 -2.055 -0.068 204 2HB ASN 52 2HB ASN 52 13.089 -0.946 -0.309 205 1HD2 ASN 52 1HD2 ASN 52 13.273 -0.126 2.440 206 H ALA 53 H ALA 53 9.115 -0.512 0.072 207 HA ALA 53 HA ALA 53 9.368 0.761 -2.529 208 1HB ALA 53 1HB ALA 53 6.824 -0.081 -2.464 209 2HB ALA 53 2HB ALA 53 7.517 -1.164 -1.255 210 3HB ALA 53 3HB ALA 53 8.173 -1.139 -2.891 211 H SER 54 H SER 54 9.008 2.919 -2.582 212 HA SER 54 HA SER 54 7.265 4.099 -0.592 213 1HB SER 54 1HB SER 54 8.718 5.487 -2.857 214 2HB SER 54 2HB SER 54 8.085 6.215 -1.387 215 HG SER 54 HG SER 54 10.469 4.966 -1.834 216 H VAL 55 H VAL 55 6.013 6.065 -2.017 217 HA VAL 55 HA VAL 55 3.748 4.882 -2.985 218 HB VAL 55 HB VAL 55 5.051 7.515 -3.410 219 1HG1 VAL 55 1HG1 VAL 55 2.727 6.508 -5.042 220 1HG2 VAL 55 1HG2 VAL 55 2.187 7.317 -2.823 221 H GLU 56 H GLU 56 6.710 5.710 -4.589 222 HA GLU 56 HA GLU 56 6.160 5.355 -7.231 223 1HB GLU 56 1HB GLU 56 8.564 4.433 -7.325 224 2HB GLU 56 2HB GLU 56 8.319 6.064 -6.725 225 1HG GLU 56 1HG GLU 56 8.430 5.215 -4.432 226 2HG GLU 56 2HG GLU 56 8.717 3.594 -5.059 227 H GLU 57 H GLU 57 7.007 2.815 -4.895 228 HA GLU 57 HA GLU 57 6.575 0.749 -6.870 229 1HB GLU 57 1HB GLU 57 7.863 1.004 -4.287 230 2HB GLU 57 2HB GLU 57 6.844 -0.416 -4.379 231 1HG GLU 57 1HG GLU 57 9.357 0.207 -5.770 232 2HG GLU 57 2HG GLU 57 8.758 -1.324 -5.142 233 H ILE 58 H ILE 58 5.221 1.797 -3.790 234 HA ILE 58 HA ILE 58 3.261 -0.128 -3.477 235 HB ILE 58 HB ILE 58 3.347 2.769 -2.668 236 2HG1 ILE 58 2HG1 ILE 58 4.864 0.777 -1.753 237 1HG2 ILE 58 1HG2 ILE 58 1.442 2.392 -1.273 238 1HD1 ILE 58 1HD1 ILE 58 5.039 3.004 -0.853 239 H ALA 59 H ALA 59 3.433 2.643 -5.527 240 HA ALA 59 HA ALA 59 0.657 2.752 -6.167 241 1HB ALA 59 1HB ALA 59 3.042 3.929 -7.578 242 2HB ALA 59 2HB ALA 59 2.057 4.719 -6.347 243 3HB ALA 59 3HB ALA 59 1.354 4.320 -7.914 244 H LYS 60 H LYS 60 1.895 0.105 -6.487 245 HA LYS 60 HA LYS 60 1.373 -0.235 -9.372 246 1HB LYS 60 1HB LYS 60 3.558 -1.348 -7.674 247 2HB LYS 60 2HB LYS 60 2.911 -2.351 -8.963 248 1HG LYS 60 1HG LYS 60 4.873 -1.139 -9.701 249 2HG LYS 60 2HG LYS 60 3.441 -0.618 -10.590 250 1HD LYS 60 1HD LYS 60 3.320 1.409 -9.397 251 2HD LYS 60 2HD LYS 60 4.444 0.840 -8.160 252 1HE LYS 60 1HE LYS 60 5.201 1.205 -11.046 253 2HE LYS 60 2HE LYS 60 5.405 2.460 -9.826 254 1HZ LYS 60 1HZ LYS 60 7.376 0.939 -10.314 255 2HZ LYS 60 2HZ LYS 60 6.539 -0.236 -9.441 256 3HZ LYS 60 3HZ LYS 60 6.983 1.209 -8.695 257 H VAL 61 H VAL 61 -0.197 -0.488 -6.776 258 HA VAL 61 HA VAL 61 -1.064 -3.275 -7.157 259 HB VAL 61 HB VAL 61 -2.049 -2.418 -4.679 260 1HG1 VAL 61 1HG1 VAL 61 0.312 -4.134 -5.430 261 1HG2 VAL 61 1HG2 VAL 61 -0.274 -0.579 -5.080 262 HA PRO 62 HA PRO 62 -5.285 -2.383 -8.076 263 1HB PRO 62 1HB PRO 62 -6.679 -2.997 -5.754 264 2HB PRO 62 2HB PRO 62 -6.170 -4.175 -6.967 265 1HG PRO 62 1HG PRO 62 -4.788 -3.360 -4.426 266 2HG PRO 62 2HG PRO 62 -5.074 -4.999 -5.061 267 1HD PRO 62 1HD PRO 62 -2.715 -3.916 -5.365 268 2HD PRO 62 2HD PRO 62 -3.460 -4.731 -6.757 269 H GLY 63 H GLY 63 -5.625 -0.243 -8.349 270 1HA GLY 63 1HA GLY 63 -6.434 1.850 -7.871 271 2HA GLY 63 2HA GLY 63 -6.911 1.243 -6.292 272 H ILE 64 H ILE 64 -4.327 0.364 -5.511 273 HA ILE 64 HA ILE 64 -3.333 2.635 -4.262 274 HB ILE 64 HB ILE 64 -1.612 0.261 -4.844 275 2HG1 ILE 64 2HG1 ILE 64 -3.583 -0.894 -4.367 276 1HG2 ILE 64 1HG2 ILE 64 -0.625 0.691 -2.797 277 1HD1 ILE 64 1HD1 ILE 64 -2.357 -0.415 -1.663 278 H SER 65 H SER 65 -3.130 4.147 -5.981 279 HA SER 65 HA SER 65 -0.743 3.764 -7.653 280 1HB SER 65 1HB SER 65 -3.439 4.592 -8.291 281 2HB SER 65 2HB SER 65 -2.274 5.835 -8.757 282 HG SER 65 HG SER 65 -1.615 3.197 -9.375 283 H GLN 66 H GLN 66 -2.732 6.242 -6.098 284 HA GLN 66 HA GLN 66 -0.263 7.647 -5.377 285 1HB GLN 66 1HB GLN 66 -1.752 8.551 -7.430 286 2HB GLN 66 2HB GLN 66 -2.592 9.332 -6.097 287 1HG GLN 66 1HG GLN 66 0.357 9.549 -6.631 288 2HG GLN 66 2HG GLN 66 -0.848 10.746 -7.095 289 1HE2 GLN 66 1HE2 GLN 66 1.490 10.793 -5.247 290 H GLY 67 H GLY 67 -3.796 7.594 -4.950 291 1HA GLY 67 1HA GLY 67 -3.785 8.898 -2.444 292 2HA GLY 67 2HA GLY 67 -5.064 7.839 -3.030 293 H LEU 68 H LEU 68 -4.324 5.450 -3.052 294 HA LEU 68 HA LEU 68 -3.861 4.639 -0.402 295 1HB LEU 68 1HB LEU 68 -4.869 3.449 -2.610 296 2HB LEU 68 2HB LEU 68 -3.261 2.765 -2.619 297 HG LEU 68 HG LEU 68 -4.546 1.188 -1.492 298 1HD1 LEU 68 1HD1 LEU 68 -3.801 1.342 0.884 299 1HD2 LEU 68 1HD2 LEU 68 -5.750 3.430 0.116 300 H ALA 69 H ALA 69 -1.840 4.651 -3.288 301 HA ALA 69 HA ALA 69 0.443 3.508 -2.380 302 1HB ALA 69 1HB ALA 69 0.440 6.029 -4.031 303 2HB ALA 69 2HB ALA 69 0.106 4.421 -4.678 304 3HB ALA 69 3HB ALA 69 1.686 4.778 -3.983 305 H GLU 70 H GLU 70 -0.285 6.990 -2.144 306 HA GLU 70 HA GLU 70 1.851 7.640 -0.488 307 1HB GLU 70 1HB GLU 70 -0.886 8.861 -0.783 308 2HB GLU 70 2HB GLU 70 0.335 9.540 0.280 309 1HG GLU 70 1HG GLU 70 1.633 9.186 -2.142 310 2HG GLU 70 2HG GLU 70 0.038 9.773 -2.573 311 H LYS 71 H LYS 71 -1.479 6.778 0.297 312 HA LYS 71 HA LYS 71 -1.499 6.941 3.006 313 1HB LYS 71 1HB LYS 71 -2.730 4.868 1.198 314 2HB LYS 71 2HB LYS 71 -3.108 5.010 2.894 315 1HG LYS 71 1HG LYS 71 -4.211 6.419 0.686 316 2HG LYS 71 2HG LYS 71 -4.704 6.443 2.377 317 1HD LYS 71 1HD LYS 71 -3.211 8.237 2.867 318 2HD LYS 71 2HD LYS 71 -2.438 8.099 1.286 319 1HE LYS 71 1HE LYS 71 -4.436 8.829 0.183 320 2HE LYS 71 2HE LYS 71 -5.334 8.808 1.701 321 1HZ LYS 71 1HZ LYS 71 -3.957 10.581 2.522 322 2HZ LYS 71 2HZ LYS 71 -4.646 11.045 1.056 323 3HZ LYS 71 3HZ LYS 71 -3.027 10.575 1.115 324 H ILE 72 H ILE 72 -0.233 4.317 1.005 325 HA ILE 72 HA ILE 72 0.516 2.725 3.283 326 HB ILE 72 HB ILE 72 1.437 2.424 0.429 327 2HG1 ILE 72 2HG1 ILE 72 -0.961 2.377 0.441 328 1HG2 ILE 72 1HG2 ILE 72 2.783 1.194 2.019 329 1HD1 ILE 72 1HD1 ILE 72 0.267 -0.348 0.350 330 H PHE 73 H PHE 73 2.084 4.854 1.002 331 HA PHE 73 HA PHE 73 4.742 4.417 1.627 332 1HB PHE 73 1HB PHE 73 4.288 5.884 -0.167 333 2HB PHE 73 2HB PHE 73 3.262 6.914 0.825 334 HD1 PHE 73 HD1 PHE 73 4.276 8.407 2.511 335 HD2 PHE 73 HD2 PHE 73 6.625 6.194 -0.255 336 HE1 PHE 73 HE1 PHE 73 6.195 9.868 2.985 337 HE2 PHE 73 HE2 PHE 73 8.554 7.649 0.210 338 HZ PHE 73 HZ PHE 73 8.344 9.482 1.832 339 H TRP 74 H TRP 74 2.583 6.834 3.075 340 HA TRP 74 HA TRP 74 4.354 7.710 5.062 341 1HB TRP 74 1HB TRP 74 1.328 7.651 5.146 342 2HB TRP 74 2HB TRP 74 2.364 8.642 6.161 343 HD1 TRP 74 HD1 TRP 74 0.682 8.582 2.812 344 HE1 TRP 74 HE1 TRP 74 1.182 10.777 1.553 345 HE3 TRP 74 HE3 TRP 74 4.329 10.442 5.856 346 HZ2 TRP 74 HZ2 TRP 74 2.895 13.001 1.828 347 HZ3 TRP 74 HZ3 TRP 74 5.344 12.609 5.299 348 HH2 TRP 74 HH2 TRP 74 4.643 13.859 3.327 349 H SER 75 H SER 75 2.748 4.764 4.720 350 HA SER 75 HA SER 75 2.364 4.198 7.499 351 1HB SER 75 1HB SER 75 2.511 2.137 5.310 352 2HB SER 75 2HB SER 75 1.593 2.079 6.813 353 HG SER 75 HG SER 75 0.894 4.240 5.351 354 H LEU 76 H LEU 76 4.649 2.900 5.058 355 HA LEU 76 HA LEU 76 6.346 2.101 7.312 356 1HB LEU 76 1HB LEU 76 7.528 0.840 5.290 357 2HB LEU 76 2HB LEU 76 6.258 0.129 6.261 358 HG LEU 76 HG LEU 76 5.981 -0.295 3.866 359 1HD1 LEU 76 1HD1 LEU 76 3.615 0.993 3.804 360 1HD2 LEU 76 1HD2 LEU 76 5.544 1.396 2.281 361 H LYS 77 H LYS 77 6.440 3.717 4.179 362 HA LYS 77 HA LYS 77 9.170 4.060 3.997 363 1HB LYS 77 1HB LYS 77 6.903 5.056 2.648 364 2HB LYS 77 2HB LYS 77 7.900 6.445 3.067 365 1HG LYS 77 1HG LYS 77 8.483 5.550 0.869 366 2HG LYS 77 2HG LYS 77 9.823 5.410 2.009 367 1HD LYS 77 1HD LYS 77 8.993 3.046 2.451 368 2HD LYS 77 2HD LYS 77 7.993 3.246 1.013 369 1HE LYS 77 1HE LYS 77 10.508 2.267 0.990 370 2HE LYS 77 2HE LYS 77 9.747 3.055 -0.385 371 1HZ LYS 77 1HZ LYS 77 11.515 4.359 1.610 372 2HZ LYS 77 2HZ LYS 77 10.756 5.141 0.322 373 3HZ LYS 77 3HZ LYS 77 11.924 3.964 0.023 374 H HIS 78 H HIS 78 6.978 6.673 5.127 375 HA HIS 78 HA HIS 78 8.575 7.113 7.434 376 1HB HIS 78 1HB HIS 78 9.661 9.153 6.928 377 2HB HIS 78 2HB HIS 78 10.035 8.068 5.599 378 HD1 HIS 78 HD1 HIS 78 7.102 10.461 6.110 379 HD2 HIS 78 HD2 HIS 78 10.126 9.592 3.400 380 HE1 HIS 78 HE1 HIS 78 6.805 12.088 4.217 381 HE2 HIS 78 HE2 HIS 78 8.560 11.457 2.535 Start of MODEL 2 1 H THR 23 H THR 23 1.814 7.814 17.802 2 HA THR 23 HA THR 23 0.648 5.273 18.741 3 HB THR 23 HB THR 23 -1.501 6.804 17.959 4 HG1 THR 23 HG1 THR 23 0.270 8.495 19.415 5 1HG2 THR 23 1HG2 THR 23 -0.307 6.634 20.727 6 H SER 24 H SER 24 2.205 6.158 16.237 7 HA SER 24 HA SER 24 0.778 6.302 13.948 8 1HB SER 24 1HB SER 24 2.599 4.673 12.997 9 2HB SER 24 2HB SER 24 3.082 6.249 13.625 10 HG SER 24 HG SER 24 3.036 4.544 15.656 11 H SER 25 H SER 25 0.165 4.679 12.340 12 HA SER 25 HA SER 25 -0.712 2.127 13.494 13 1HB SER 25 1HB SER 25 -2.556 3.506 11.603 14 2HB SER 25 2HB SER 25 -2.926 2.420 12.938 15 HG SER 25 HG SER 25 -1.927 5.053 13.307 16 H LEU 26 H LEU 26 1.526 2.440 11.925 17 HA LEU 26 HA LEU 26 1.412 2.371 9.217 18 1HB LEU 26 1HB LEU 26 3.072 0.889 11.192 19 2HB LEU 26 2HB LEU 26 3.185 0.423 9.507 20 HG LEU 26 HG LEU 26 3.965 2.604 8.879 21 1HD1 LEU 26 1HD1 LEU 26 4.352 4.325 10.659 22 1HD2 LEU 26 1HD2 LEU 26 5.325 1.487 11.324 23 H GLU 27 H GLU 27 0.103 0.045 11.366 24 HA GLU 27 HA GLU 27 -0.218 -1.950 9.264 25 1HB GLU 27 1HB GLU 27 -1.413 -2.331 11.950 26 2HB GLU 27 2HB GLU 27 -0.536 -3.471 10.935 27 1HG GLU 27 1HG GLU 27 0.979 -1.200 12.094 28 2HG GLU 27 2HG GLU 27 0.473 -2.488 13.167 29 H THR 28 H THR 28 -1.963 0.428 11.046 30 HA THR 28 HA THR 28 -4.357 -0.172 9.471 31 HB THR 28 HB THR 28 -4.797 0.735 12.254 32 HG1 THR 28 HG1 THR 28 -3.210 -1.300 11.794 33 1HG2 THR 28 1HG2 THR 28 -6.130 -1.445 10.666 34 H ILE 29 H ILE 29 -2.466 1.922 8.986 35 HA ILE 29 HA ILE 29 -3.168 4.396 10.099 36 HB ILE 29 HB ILE 29 -2.139 4.002 7.302 37 2HG1 ILE 29 2HG1 ILE 29 -0.510 2.887 8.471 38 1HG2 ILE 29 1HG2 ILE 29 -1.856 6.315 9.205 39 1HD1 ILE 29 1HD1 ILE 29 0.361 5.689 9.146 40 H GLU 30 H GLU 30 -5.126 5.086 10.164 41 HA GLU 30 HA GLU 30 -7.343 5.410 9.501 42 1HB GLU 30 1HB GLU 30 -7.343 7.488 8.170 43 2HB GLU 30 2HB GLU 30 -6.183 7.516 9.492 44 1HG GLU 30 1HG GLU 30 -4.356 7.313 8.062 45 2HG GLU 30 2HG GLU 30 -5.349 6.719 6.735 46 H GLY 31 H GLY 31 -6.456 3.133 7.922 47 1HA GLY 31 1HA GLY 31 -8.481 2.863 6.130 48 2HA GLY 31 2HA GLY 31 -7.239 3.687 5.195 49 H VAL 32 H VAL 32 -5.020 2.528 6.363 50 HA VAL 32 HA VAL 32 -4.997 0.043 4.976 51 HB VAL 32 HB VAL 32 -2.808 0.587 4.973 52 1HG1 VAL 32 1HG1 VAL 32 -3.109 2.829 5.642 53 1HG2 VAL 32 1HG2 VAL 32 -1.524 -0.008 7.058 54 H GLY 33 H GLY 33 -4.695 -2.008 5.932 55 1HA GLY 33 1HA GLY 33 -4.503 -3.169 8.188 56 2HA GLY 33 2HA GLY 33 -5.945 -2.239 8.586 57 HA PRO 34 HA PRO 34 -8.805 -4.842 6.457 58 1HB PRO 34 1HB PRO 34 -9.162 -3.872 3.869 59 2HB PRO 34 2HB PRO 34 -10.043 -3.332 5.298 60 1HG PRO 34 1HG PRO 34 -7.681 -2.095 3.964 61 2HG PRO 34 2HG PRO 34 -9.096 -1.319 4.699 62 1HD PRO 34 1HD PRO 34 -6.757 -1.384 5.962 63 2HD PRO 34 2HD PRO 34 -8.278 -1.581 6.853 64 H LYS 35 H LYS 35 -7.004 -3.950 3.550 65 HA LYS 35 HA LYS 35 -5.649 -6.522 3.523 66 1HB LYS 35 1HB LYS 35 -7.148 -5.778 1.046 67 2HB LYS 35 2HB LYS 35 -6.604 -7.358 1.588 68 1HG LYS 35 1HG LYS 35 -8.384 -7.568 3.106 69 2HG LYS 35 2HG LYS 35 -8.791 -5.855 2.987 70 1HD LYS 35 1HD LYS 35 -10.400 -7.140 1.730 71 2HD LYS 35 2HD LYS 35 -9.401 -6.202 0.617 72 1HE LYS 35 1HE LYS 35 -9.637 -8.390 -0.300 73 2HE LYS 35 2HE LYS 35 -7.988 -8.239 0.298 74 1HZ LYS 35 1HZ LYS 35 -8.631 -10.289 1.079 75 2HZ LYS 35 2HZ LYS 35 -10.218 -9.810 1.400 76 3HZ LYS 35 3HZ LYS 35 -8.965 -9.310 2.411 77 H ARG 36 H ARG 36 -5.833 -3.259 2.819 78 HA ARG 36 HA ARG 36 -4.457 -2.790 0.548 79 1HB ARG 36 1HB ARG 36 -4.673 -0.726 1.303 80 2HB ARG 36 2HB ARG 36 -5.272 -1.385 2.802 81 1HG ARG 36 1HG ARG 36 -3.480 -0.782 3.927 82 2HG ARG 36 2HG ARG 36 -2.376 -1.338 2.665 83 1HD ARG 36 1HD ARG 36 -2.314 1.087 3.004 84 2HD ARG 36 2HD ARG 36 -2.781 0.597 1.378 85 HE ARG 36 HE ARG 36 -5.128 1.030 2.134 86 1HH1 ARG 36 1HH1 ARG 36 -2.424 2.666 3.633 87 1HH2 ARG 36 1HH2 ARG 36 -6.362 2.863 2.723 88 H ARG 37 H ARG 37 -2.897 -3.088 3.750 89 HA ARG 37 HA ARG 37 -0.279 -2.999 2.759 90 1HB ARG 37 1HB ARG 37 -1.460 -4.134 5.281 91 2HB ARG 37 2HB ARG 37 0.256 -4.228 4.951 92 1HG ARG 37 1HG ARG 37 -1.044 -1.574 4.742 93 2HG ARG 37 2HG ARG 37 -0.808 -2.262 6.353 94 1HD ARG 37 1HD ARG 37 1.297 -1.823 4.254 95 2HD ARG 37 2HD ARG 37 1.112 -0.911 5.752 96 HE ARG 37 HE ARG 37 1.885 -3.757 5.587 97 1HH1 ARG 37 1HH1 ARG 37 1.934 -0.664 7.220 98 1HH2 ARG 37 1HH2 ARG 37 3.235 -4.480 7.276 99 H GLN 38 H GLN 38 -2.399 -5.699 3.518 100 HA GLN 38 HA GLN 38 -0.747 -7.816 3.010 101 1HB GLN 38 1HB GLN 38 -3.491 -7.419 3.410 102 2HB GLN 38 2HB GLN 38 -3.369 -8.280 1.880 103 1HG GLN 38 1HG GLN 38 -1.927 -9.943 3.005 104 2HG GLN 38 2HG GLN 38 -2.244 -9.122 4.530 105 1HE2 GLN 38 1HE2 GLN 38 -3.198 -10.997 5.367 106 H MET 39 H MET 39 -2.675 -5.929 0.728 107 HA MET 39 HA MET 39 -2.257 -7.312 -1.599 108 1HB MET 39 1HB MET 39 -2.215 -4.304 -1.229 109 2HB MET 39 2HB MET 39 -2.402 -5.128 -2.770 110 1HG MET 39 1HG MET 39 -4.506 -6.020 -2.132 111 2HG MET 39 2HG MET 39 -4.294 -5.489 -0.468 112 1HE MET 39 1HE MET 39 -6.558 -4.155 -0.233 113 2HE MET 39 2HE MET 39 -6.935 -4.957 -1.756 114 3HE MET 39 3HE MET 39 -7.240 -3.230 -1.572 115 H LEU 40 H LEU 40 -0.231 -4.613 -0.443 116 HA LEU 40 HA LEU 40 1.818 -4.831 -2.249 117 1HB LEU 40 1HB LEU 40 2.019 -4.241 0.699 118 2HB LEU 40 2HB LEU 40 3.288 -3.926 -0.471 119 HG LEU 40 HG LEU 40 2.215 -1.873 -0.104 120 1HD1 LEU 40 1HD1 LEU 40 1.122 -3.060 -2.643 121 1HD2 LEU 40 1HD2 LEU 40 -0.492 -2.530 -0.908 122 H LEU 41 H LEU 41 1.491 -6.515 0.848 123 HA LEU 41 HA LEU 41 3.854 -7.984 0.709 124 1HB LEU 41 1HB LEU 41 1.270 -8.329 2.154 125 2HB LEU 41 2HB LEU 41 2.440 -9.634 2.177 126 HG LEU 41 HG LEU 41 2.443 -7.847 4.080 127 1HD1 LEU 41 1HD1 LEU 41 4.997 -8.647 2.693 128 1HD2 LEU 41 1HD2 LEU 41 4.189 -6.483 2.041 129 H LYS 42 H LYS 42 0.691 -8.615 -0.670 130 HA LYS 42 HA LYS 42 1.474 -11.248 -1.549 131 1HB LYS 42 1HB LYS 42 -0.972 -9.559 -1.804 132 2HB LYS 42 2HB LYS 42 -0.745 -10.900 -2.924 133 1HG LYS 42 1HG LYS 42 -2.043 -11.268 -0.710 134 2HG LYS 42 2HG LYS 42 -0.899 -12.487 -1.273 135 1HD LYS 42 1HD LYS 42 0.819 -11.565 0.211 136 2HD LYS 42 2HD LYS 42 -0.326 -10.344 0.773 137 1HE LYS 42 1HE LYS 42 -1.683 -11.961 1.824 138 2HE LYS 42 2HE LYS 42 -0.885 -13.288 0.982 139 1HZ LYS 42 1HZ LYS 42 0.280 -11.585 3.116 140 2HZ LYS 42 2HZ LYS 42 1.156 -12.720 2.226 141 3HZ LYS 42 3HZ LYS 42 -0.111 -13.226 3.222 142 H TYR 43 H TYR 43 1.689 -8.061 -2.634 143 HA TYR 43 HA TYR 43 2.051 -8.758 -5.415 144 1HB TYR 43 1HB TYR 43 1.918 -6.258 -3.822 145 2HB TYR 43 2HB TYR 43 2.819 -6.191 -5.331 146 HD1 TYR 43 HD1 TYR 43 1.583 -5.300 -7.062 147 HD2 TYR 43 HD2 TYR 43 -0.393 -7.771 -4.217 148 HE1 TYR 43 HE1 TYR 43 -0.524 -5.031 -8.300 149 HE2 TYR 43 HE2 TYR 43 -2.505 -7.509 -5.450 150 HH TYR 43 HH TYR 43 -3.415 -5.521 -7.125 151 H MET 44 H MET 44 4.018 -8.073 -2.620 152 HA MET 44 HA MET 44 6.427 -8.474 -4.259 153 1HB MET 44 1HB MET 44 7.642 -7.101 -2.703 154 2HB MET 44 2HB MET 44 6.224 -6.227 -3.262 155 1HG MET 44 1HG MET 44 5.060 -6.832 -1.181 156 2HG MET 44 2HG MET 44 6.530 -7.618 -0.610 157 1HE MET 44 1HE MET 44 4.929 -4.198 -1.750 158 2HE MET 44 2HE MET 44 6.350 -4.364 -2.780 159 3HE MET 44 3HE MET 44 6.298 -3.104 -1.549 160 H GLY 45 H GLY 45 4.828 -9.268 -1.215 161 1HA GLY 45 1HA GLY 45 5.043 -11.193 0.050 162 2HA GLY 45 2HA GLY 45 6.256 -11.760 -1.090 163 H GLY 46 H GLY 46 6.143 -8.800 0.844 164 1HA GLY 46 1HA GLY 46 7.952 -9.586 2.833 165 2HA GLY 46 2HA GLY 46 8.870 -8.903 1.497 166 H LEU 47 H LEU 47 6.681 -8.261 4.097 167 HA LEU 47 HA LEU 47 5.790 -5.724 3.644 168 1HB LEU 47 1HB LEU 47 5.315 -7.047 5.680 169 2HB LEU 47 2HB LEU 47 6.942 -6.734 6.247 170 HG LEU 47 HG LEU 47 4.905 -5.314 7.113 171 1HD1 LEU 47 1HD1 LEU 47 7.050 -4.881 7.954 172 1HD2 LEU 47 1HD2 LEU 47 4.056 -4.570 5.005 173 H GLN 48 H GLN 48 8.913 -6.576 5.107 174 HA GLN 48 HA GLN 48 10.003 -4.108 5.458 175 1HB GLN 48 1HB GLN 48 11.201 -6.188 5.973 176 2HB GLN 48 2HB GLN 48 11.403 -6.499 4.256 177 1HG GLN 48 1HG GLN 48 13.424 -5.577 5.323 178 2HG GLN 48 2HG GLN 48 12.812 -4.587 3.999 179 1HE2 GLN 48 1HE2 GLN 48 11.529 -4.766 7.259 180 H GLY 49 H GLY 49 10.267 -6.023 2.474 181 1HA GLY 49 1HA GLY 49 11.443 -4.097 0.865 182 2HA GLY 49 2HA GLY 49 10.374 -5.364 0.270 183 H LEU 50 H LEU 50 8.115 -4.533 1.819 184 HA LEU 50 HA LEU 50 6.997 -2.666 0.007 185 1HB LEU 50 1HB LEU 50 5.425 -4.101 0.945 186 2HB LEU 50 2HB LEU 50 6.095 -3.950 2.554 187 HG LEU 50 HG LEU 50 5.153 -1.759 2.794 188 1HD1 LEU 50 1HD1 LEU 50 4.078 -2.106 0.002 189 1HD2 LEU 50 1HD2 LEU 50 3.615 -3.286 3.547 190 H ARG 51 H ARG 51 8.169 -2.502 3.298 191 HA ARG 51 HA ARG 51 7.607 0.185 3.823 192 1HB ARG 51 1HB ARG 51 9.967 -1.428 4.788 193 2HB ARG 51 2HB ARG 51 9.326 0.025 5.548 194 1HG ARG 51 1HG ARG 51 7.194 -1.802 5.319 195 2HG ARG 51 2HG ARG 51 8.580 -2.693 5.947 196 1HD ARG 51 1HD ARG 51 7.536 -0.097 7.071 197 2HD ARG 51 2HD ARG 51 7.198 -1.693 7.735 198 HE ARG 51 HE ARG 51 9.880 -1.650 7.711 199 1HH1 ARG 51 1HH1 ARG 51 7.515 0.633 8.904 200 1HH2 ARG 51 1HH2 ARG 51 11.252 -0.836 9.339 201 H ASN 52 H ASN 52 10.281 -1.443 2.287 202 HA ASN 52 HA ASN 52 11.910 0.858 1.923 203 1HB ASN 52 1HB ASN 52 11.793 -1.808 0.509 204 2HB ASN 52 2HB ASN 52 12.939 -0.546 0.055 205 1HD2 ASN 52 1HD2 ASN 52 11.815 -1.311 3.300 206 H ALA 53 H ALA 53 9.395 -0.729 0.123 207 HA ALA 53 HA ALA 53 9.586 0.694 -2.278 208 1HB ALA 53 1HB ALA 53 7.335 -0.050 -2.716 209 2HB ALA 53 2HB ALA 53 7.077 -0.397 -1.007 210 3HB ALA 53 3HB ALA 53 8.227 -1.357 -1.938 211 H SER 54 H SER 54 8.677 2.598 -2.972 212 HA SER 54 HA SER 54 7.426 4.248 -0.888 213 1HB SER 54 1HB SER 54 8.682 5.496 -3.291 214 2HB SER 54 2HB SER 54 8.595 6.085 -1.629 215 HG SER 54 HG SER 54 10.457 4.375 -2.822 216 H VAL 55 H VAL 55 6.172 6.118 -2.278 217 HA VAL 55 HA VAL 55 3.878 4.992 -3.235 218 HB VAL 55 HB VAL 55 5.253 7.567 -3.889 219 1HG1 VAL 55 1HG1 VAL 55 4.181 6.936 -5.943 220 1HG2 VAL 55 1HG2 VAL 55 2.541 7.117 -2.681 221 H GLU 56 H GLU 56 6.834 5.737 -4.867 222 HA GLU 56 HA GLU 56 6.366 5.326 -7.487 223 1HB GLU 56 1HB GLU 56 8.679 4.443 -7.596 224 2HB GLU 56 2HB GLU 56 8.546 5.901 -6.628 225 1HG GLU 56 1HG GLU 56 8.218 4.038 -4.721 226 2HG GLU 56 2HG GLU 56 9.245 3.151 -5.845 227 H GLU 57 H GLU 57 7.059 2.749 -5.125 228 HA GLU 57 HA GLU 57 6.466 0.692 -7.071 229 1HB GLU 57 1HB GLU 57 7.869 0.878 -4.553 230 2HB GLU 57 2HB GLU 57 6.708 -0.432 -4.531 231 1HG GLU 57 1HG GLU 57 8.974 -0.009 -6.441 232 2HG GLU 57 2HG GLU 57 8.783 -1.289 -5.251 233 H ILE 58 H ILE 58 5.194 1.873 -3.999 234 HA ILE 58 HA ILE 58 3.151 0.036 -3.658 235 HB ILE 58 HB ILE 58 3.358 2.936 -2.866 236 2HG1 ILE 58 2HG1 ILE 58 4.923 1.107 -1.911 237 1HG2 ILE 58 1HG2 ILE 58 1.444 2.704 -1.538 238 1HD1 ILE 58 1HD1 ILE 58 3.250 2.604 0.095 239 H ALA 59 H ALA 59 3.462 2.770 -5.717 240 HA ALA 59 HA ALA 59 0.693 3.021 -6.370 241 1HB ALA 59 1HB ALA 59 3.144 4.082 -7.768 242 2HB ALA 59 2HB ALA 59 2.201 4.920 -6.533 243 3HB ALA 59 3HB ALA 59 1.484 4.562 -8.107 244 H LYS 60 H LYS 60 1.765 0.341 -6.651 245 HA LYS 60 HA LYS 60 1.100 -0.066 -9.489 246 1HB LYS 60 1HB LYS 60 3.463 -1.108 -7.984 247 2HB LYS 60 2HB LYS 60 2.765 -2.070 -9.271 248 1HG LYS 60 1HG LYS 60 4.430 -0.930 -10.365 249 2HG LYS 60 2HG LYS 60 3.013 0.067 -10.689 250 1HD LYS 60 1HD LYS 60 3.690 1.726 -9.242 251 2HD LYS 60 2HD LYS 60 4.716 0.638 -8.308 252 1HE LYS 60 1HE LYS 60 5.358 1.177 -11.172 253 2HE LYS 60 2HE LYS 60 5.796 2.370 -9.953 254 1HZ LYS 60 1HZ LYS 60 7.612 0.862 -10.339 255 2HZ LYS 60 2HZ LYS 60 6.635 -0.475 -10.007 256 3HZ LYS 60 3HZ LYS 60 7.012 0.617 -8.778 257 H VAL 61 H VAL 61 -0.569 -0.190 -7.227 258 HA VAL 61 HA VAL 61 -1.200 -3.055 -7.251 259 HB VAL 61 HB VAL 61 -2.026 -2.006 -4.736 260 1HG1 VAL 61 1HG1 VAL 61 0.271 -3.885 -5.247 261 1HG2 VAL 61 1HG2 VAL 61 0.718 -1.216 -5.583 262 HA PRO 62 HA PRO 62 -5.477 -2.384 -7.916 263 1HB PRO 62 1HB PRO 62 -6.759 -2.693 -5.463 264 2HB PRO 62 2HB PRO 62 -6.375 -3.992 -6.596 265 1HG PRO 62 1HG PRO 62 -4.878 -3.078 -4.175 266 2HG PRO 62 2HG PRO 62 -5.154 -4.730 -4.765 267 1HD PRO 62 1HD PRO 62 -2.821 -3.534 -5.119 268 2HD PRO 62 2HD PRO 62 -3.506 -4.541 -6.405 269 H GLY 63 H GLY 63 -5.757 -0.301 -8.463 270 1HA GLY 63 1HA GLY 63 -6.473 1.873 -8.266 271 2HA GLY 63 2HA GLY 63 -7.082 1.442 -6.674 272 H ILE 64 H ILE 64 -4.252 0.509 -6.081 273 HA ILE 64 HA ILE 64 -3.400 2.822 -4.754 274 HB ILE 64 HB ILE 64 -1.653 0.462 -5.340 275 2HG1 ILE 64 2HG1 ILE 64 -3.617 -0.641 -4.695 276 1HG2 ILE 64 1HG2 ILE 64 -1.920 2.000 -2.787 277 1HD1 ILE 64 1HD1 ILE 64 -3.135 -1.704 -2.757 278 H SER 65 H SER 65 -3.281 4.336 -6.418 279 HA SER 65 HA SER 65 -0.985 4.090 -8.228 280 1HB SER 65 1HB SER 65 -3.657 5.333 -8.381 281 2HB SER 65 2HB SER 65 -2.346 6.275 -9.082 282 HG SER 65 HG SER 65 -2.111 3.708 -9.828 283 H GLN 66 H GLN 66 -2.753 6.586 -6.447 284 HA GLN 66 HA GLN 66 -0.199 7.661 -5.501 285 1HB GLN 66 1HB GLN 66 -0.975 9.059 -7.393 286 2HB GLN 66 2HB GLN 66 -2.501 9.315 -6.554 287 1HG GLN 66 1HG GLN 66 -1.075 11.229 -6.275 288 2HG GLN 66 2HG GLN 66 -1.310 10.418 -4.725 289 1HE2 GLN 66 1HE2 GLN 66 0.773 12.190 -5.275 290 H GLY 67 H GLY 67 -3.715 7.986 -5.245 291 1HA GLY 67 1HA GLY 67 -3.812 9.054 -2.685 292 2HA GLY 67 2HA GLY 67 -5.074 8.050 -3.392 293 H LEU 68 H LEU 68 -4.321 5.640 -3.510 294 HA LEU 68 HA LEU 68 -4.058 4.737 -0.838 295 1HB LEU 68 1HB LEU 68 -5.027 3.631 -3.075 296 2HB LEU 68 2HB LEU 68 -3.427 2.927 -3.105 297 HG LEU 68 HG LEU 68 -4.928 1.379 -2.058 298 1HD1 LEU 68 1HD1 LEU 68 -2.620 1.650 -1.191 299 1HD2 LEU 68 1HD2 LEU 68 -5.946 2.059 0.184 300 H ALA 69 H ALA 69 -1.888 4.917 -3.575 301 HA ALA 69 HA ALA 69 0.265 3.527 -2.694 302 1HB ALA 69 1HB ALA 69 1.684 4.906 -4.048 303 2HB ALA 69 2HB ALA 69 0.510 6.225 -4.021 304 3HB ALA 69 3HB ALA 69 0.134 4.728 -4.873 305 H GLU 70 H GLU 70 -0.179 7.015 -2.093 306 HA GLU 70 HA GLU 70 1.867 7.219 -0.192 307 1HB GLU 70 1HB GLU 70 -0.695 8.811 -0.255 308 2HB GLU 70 2HB GLU 70 0.807 9.285 0.522 309 1HG GLU 70 1HG GLU 70 1.802 9.105 -1.854 310 2HG GLU 70 2HG GLU 70 0.121 9.178 -2.369 311 H LYS 71 H LYS 71 -1.583 6.548 0.131 312 HA LYS 71 HA LYS 71 -1.875 6.488 2.856 313 1HB LYS 71 1HB LYS 71 -3.083 4.803 0.677 314 2HB LYS 71 2HB LYS 71 -3.565 4.641 2.342 315 1HG LYS 71 1HG LYS 71 -4.613 6.373 0.461 316 2HG LYS 71 2HG LYS 71 -4.929 6.375 2.193 317 1HD LYS 71 1HD LYS 71 -3.266 8.010 2.592 318 2HD LYS 71 2HD LYS 71 -2.596 7.822 0.970 319 1HE LYS 71 1HE LYS 71 -3.911 9.869 1.144 320 2HE LYS 71 2HE LYS 71 -4.641 8.737 0.007 321 1HZ LYS 71 1HZ LYS 71 -6.348 9.647 1.363 322 2HZ LYS 71 2HZ LYS 71 -5.507 9.286 2.783 323 3HZ LYS 71 3HZ LYS 71 -6.132 8.039 1.837 324 H ILE 72 H ILE 72 -0.409 4.179 0.708 325 HA ILE 72 HA ILE 72 0.045 2.217 2.792 326 HB ILE 72 HB ILE 72 1.326 2.330 0.069 327 2HG1 ILE 72 2HG1 ILE 72 -0.936 2.376 -0.469 328 1HG2 ILE 72 1HG2 ILE 72 2.351 0.779 1.621 329 1HD1 ILE 72 1HD1 ILE 72 0.358 -0.090 -0.798 330 H PHE 73 H PHE 73 1.808 4.615 0.969 331 HA PHE 73 HA PHE 73 4.410 4.123 1.659 332 1HB PHE 73 1HB PHE 73 3.785 5.891 0.122 333 2HB PHE 73 2HB PHE 73 3.000 6.785 1.418 334 HD1 PHE 73 HD1 PHE 73 4.514 7.483 3.400 335 HD2 PHE 73 HD2 PHE 73 5.967 6.378 -0.437 336 HE1 PHE 73 HE1 PHE 73 6.611 8.680 3.852 337 HE2 PHE 73 HE2 PHE 73 8.067 7.574 0.008 338 HZ PHE 73 HZ PHE 73 8.388 8.729 2.159 339 H TRP 74 H TRP 74 2.286 6.382 3.412 340 HA TRP 74 HA TRP 74 4.019 6.628 5.633 341 1HB TRP 74 1HB TRP 74 1.066 6.996 5.942 342 2HB TRP 74 2HB TRP 74 2.383 7.955 6.603 343 HD1 TRP 74 HD1 TRP 74 -0.174 8.034 3.972 344 HE1 TRP 74 HE1 TRP 74 0.287 9.947 2.308 345 HE3 TRP 74 HE3 TRP 74 4.628 9.158 5.331 346 HZ2 TRP 74 HZ2 TRP 74 2.405 11.688 1.658 347 HZ3 TRP 74 HZ3 TRP 74 5.796 10.964 4.131 348 HH2 TRP 74 HH2 TRP 74 4.706 12.200 2.336 349 H SER 75 H SER 75 1.936 4.187 4.622 350 HA SER 75 HA SER 75 1.126 3.161 7.145 351 1HB SER 75 1HB SER 75 0.044 2.787 4.840 352 2HB SER 75 2HB SER 75 1.280 1.561 4.601 353 HG SER 75 HG SER 75 0.239 1.129 6.979 354 H LEU 76 H LEU 76 4.127 3.139 5.640 355 HA LEU 76 HA LEU 76 4.962 0.959 7.386 356 1HB LEU 76 1HB LEU 76 6.477 0.624 5.125 357 2HB LEU 76 2HB LEU 76 5.124 -0.352 5.644 358 HG LEU 76 HG LEU 76 4.281 2.014 4.191 359 1HD1 LEU 76 1HD1 LEU 76 4.990 1.263 1.998 360 1HD2 LEU 76 1HD2 LEU 76 3.797 -0.904 3.674 361 H LYS 77 H LYS 77 6.311 3.060 4.900 362 HA LYS 77 HA LYS 77 8.723 3.364 6.481 363 1HB LYS 77 1HB LYS 77 9.701 4.198 4.345 364 2HB LYS 77 2HB LYS 77 9.185 2.518 4.364 365 1HG LYS 77 1HG LYS 77 8.085 2.972 2.494 366 2HG LYS 77 2HG LYS 77 6.964 3.886 3.494 367 1HD LYS 77 1HD LYS 77 7.524 5.587 2.196 368 2HD LYS 77 2HD LYS 77 8.943 5.654 3.244 369 1HE LYS 77 1HE LYS 77 8.720 4.880 0.422 370 2HE LYS 77 2HE LYS 77 10.095 5.530 1.311 371 1HZ LYS 77 1HZ LYS 77 9.187 2.712 1.198 372 2HZ LYS 77 2HZ LYS 77 10.326 3.261 2.310 373 3HZ LYS 77 3HZ LYS 77 10.656 3.347 0.656 374 H HIS 78 H HIS 78 7.063 4.816 7.712 375 HA HIS 78 HA HIS 78 8.148 7.354 7.710 376 1HB HIS 78 1HB HIS 78 6.317 7.125 5.612 377 2HB HIS 78 2HB HIS 78 5.429 7.957 6.889 378 HD1 HIS 78 HD1 HIS 78 5.603 10.386 6.633 379 HD2 HIS 78 HD2 HIS 78 9.103 8.481 5.457 380 HE1 HIS 78 HE1 HIS 78 7.171 12.225 5.932 381 HE2 HIS 78 HE2 HIS 78 9.332 11.058 5.393 Start of MODEL 3 1 H THR 23 H THR 23 -0.643 4.134 19.179 2 HA THR 23 HA THR 23 0.474 6.142 19.206 3 HB THR 23 HB THR 23 2.490 4.697 19.979 4 HG1 THR 23 HG1 THR 23 2.288 7.100 19.909 5 1HG2 THR 23 1HG2 THR 23 2.897 3.692 17.752 6 H SER 24 H SER 24 0.058 4.022 16.693 7 HA SER 24 HA SER 24 0.141 6.204 14.780 8 1HB SER 24 1HB SER 24 1.300 3.938 13.480 9 2HB SER 24 2HB SER 24 1.985 5.544 13.719 10 HG SER 24 HG SER 24 2.005 3.596 15.770 11 H SER 25 H SER 25 -1.128 5.851 12.932 12 HA SER 25 HA SER 25 -3.019 3.618 13.204 13 1HB SER 25 1HB SER 25 -3.377 6.114 11.539 14 2HB SER 25 2HB SER 25 -4.612 4.959 12.036 15 HG SER 25 HG SER 25 -3.431 5.839 14.234 16 H LEU 26 H LEU 26 -0.263 4.217 11.732 17 HA LEU 26 HA LEU 26 -0.732 3.846 8.985 18 1HB LEU 26 1HB LEU 26 1.643 3.281 10.739 19 2HB LEU 26 2HB LEU 26 1.667 2.944 9.020 20 HG LEU 26 HG LEU 26 2.710 5.035 9.262 21 1HD1 LEU 26 1HD1 LEU 26 1.320 6.530 8.024 22 1HD2 LEU 26 1HD2 LEU 26 1.883 5.414 11.591 23 H GLU 27 H GLU 27 -1.073 1.836 11.625 24 HA GLU 27 HA GLU 27 -0.890 -0.625 10.065 25 1HB GLU 27 1HB GLU 27 -1.424 -1.632 12.375 26 2HB GLU 27 2HB GLU 27 0.167 -0.919 12.126 27 1HG GLU 27 1HG GLU 27 -2.042 0.752 13.226 28 2HG GLU 27 2HG GLU 27 -1.186 -0.380 14.267 29 H THR 28 H THR 28 -3.097 1.652 11.238 30 HA THR 28 HA THR 28 -5.371 -0.125 10.694 31 HB THR 28 HB THR 28 -5.463 2.264 12.525 32 HG1 THR 28 HG1 THR 28 -4.276 -0.170 12.926 33 1HG2 THR 28 1HG2 THR 28 -7.422 1.172 13.426 34 H ILE 29 H ILE 29 -3.734 1.810 9.068 35 HA ILE 29 HA ILE 29 -5.017 4.160 8.502 36 HB ILE 29 HB ILE 29 -4.038 2.473 6.226 37 2HG1 ILE 29 2HG1 ILE 29 -2.391 2.228 8.051 38 1HG2 ILE 29 1HG2 ILE 29 -3.858 5.413 6.839 39 1HD1 ILE 29 1HD1 ILE 29 -1.478 2.314 5.813 40 H GLU 30 H GLU 30 -6.530 4.792 7.012 41 HA GLU 30 HA GLU 30 -8.941 3.481 6.936 42 1HB GLU 30 1HB GLU 30 -9.272 5.046 4.853 43 2HB GLU 30 2HB GLU 30 -9.040 5.743 6.453 44 1HG GLU 30 1HG GLU 30 -6.909 6.454 5.990 45 2HG GLU 30 2HG GLU 30 -6.661 5.242 4.732 46 H GLY 31 H GLY 31 -8.165 1.235 6.323 47 1HA GLY 31 1HA GLY 31 -9.102 0.003 4.330 48 2HA GLY 31 2HA GLY 31 -8.006 0.988 3.389 49 H VAL 32 H VAL 32 -6.369 0.295 6.176 50 HA VAL 32 HA VAL 32 -5.080 -1.948 4.826 51 HB VAL 32 HB VAL 32 -3.227 -1.552 6.482 52 1HG1 VAL 32 1HG1 VAL 32 -2.832 -0.866 4.295 53 1HG2 VAL 32 1HG2 VAL 32 -4.748 0.990 6.959 54 H GLY 33 H GLY 33 -5.145 -3.864 5.517 55 1HA GLY 33 1HA GLY 33 -4.941 -5.289 7.597 56 2HA GLY 33 2HA GLY 33 -6.358 -4.398 8.151 57 HA PRO 34 HA PRO 34 -9.276 -6.667 5.710 58 1HB PRO 34 1HB PRO 34 -9.728 -5.307 3.335 59 2HB PRO 34 2HB PRO 34 -10.502 -4.930 4.869 60 1HG PRO 34 1HG PRO 34 -8.117 -3.653 3.613 61 2HG PRO 34 2HG PRO 34 -9.500 -2.893 4.430 62 1HD PRO 34 1HD PRO 34 -7.196 -3.182 5.687 63 2HD PRO 34 2HD PRO 34 -8.715 -3.479 6.545 64 H LYS 35 H LYS 35 -7.675 -5.326 2.866 65 HA LYS 35 HA LYS 35 -6.306 -7.868 2.411 66 1HB LYS 35 1HB LYS 35 -7.829 -6.541 0.184 67 2HB LYS 35 2HB LYS 35 -7.132 -8.154 0.222 68 1HG LYS 35 1HG LYS 35 -9.249 -8.787 0.608 69 2HG LYS 35 2HG LYS 35 -8.869 -8.335 2.269 70 1HD LYS 35 1HD LYS 35 -9.777 -6.104 1.873 71 2HD LYS 35 2HD LYS 35 -10.162 -6.554 0.215 72 1HE LYS 35 1HE LYS 35 -11.647 -8.319 1.068 73 2HE LYS 35 2HE LYS 35 -11.296 -7.802 2.715 74 1HZ LYS 35 1HZ LYS 35 -12.480 -6.014 0.669 75 2HZ LYS 35 2HZ LYS 35 -12.347 -5.730 2.327 76 3HZ LYS 35 3HZ LYS 35 -13.401 -6.919 1.757 77 H ARG 36 H ARG 36 -6.539 -4.436 1.986 78 HA ARG 36 HA ARG 36 -4.769 -3.906 -0.031 79 1HB ARG 36 1HB ARG 36 -5.381 -1.886 0.625 80 2HB ARG 36 2HB ARG 36 -6.040 -2.536 2.100 81 1HG ARG 36 1HG ARG 36 -4.335 -1.820 3.328 82 2HG ARG 36 2HG ARG 36 -3.139 -2.181 2.076 83 1HD ARG 36 1HD ARG 36 -3.476 0.236 2.540 84 2HD ARG 36 2HD ARG 36 -3.703 -0.263 0.871 85 HE ARG 36 HE ARG 36 -6.190 -0.331 1.646 86 1HH1 ARG 36 1HH1 ARG 36 -3.788 2.071 2.501 87 1HH2 ARG 36 1HH2 ARG 36 -7.693 1.390 1.742 88 H ARG 37 H ARG 37 -4.064 -4.309 3.419 89 HA ARG 37 HA ARG 37 -1.308 -3.987 3.298 90 1HB ARG 37 1HB ARG 37 -3.122 -5.578 5.094 91 2HB ARG 37 2HB ARG 37 -1.375 -5.651 5.298 92 1HG ARG 37 1HG ARG 37 -2.911 -3.067 5.295 93 2HG ARG 37 2HG ARG 37 -2.600 -4.011 6.752 94 1HD ARG 37 1HD ARG 37 -0.675 -2.886 6.903 95 2HD ARG 37 2HD ARG 37 -0.135 -3.894 5.564 96 HE ARG 37 HE ARG 37 -0.783 -2.108 4.060 97 1HH1 ARG 37 1HH1 ARG 37 -0.578 -1.313 7.447 98 1HH2 ARG 37 1HH2 ARG 37 -0.228 0.078 3.671 99 H GLN 38 H GLN 38 -3.352 -6.761 2.786 100 HA GLN 38 HA GLN 38 -1.281 -8.648 2.399 101 1HB GLN 38 1HB GLN 38 -4.163 -8.655 1.521 102 2HB GLN 38 2HB GLN 38 -3.077 -10.033 1.375 103 1HG GLN 38 1HG GLN 38 -4.086 -10.529 3.313 104 2HG GLN 38 2HG GLN 38 -2.730 -9.604 3.927 105 1HE2 GLN 38 1HE2 GLN 38 -5.288 -10.056 5.194 106 H MET 39 H MET 39 -2.995 -6.447 0.302 107 HA MET 39 HA MET 39 -2.276 -7.573 -2.139 108 1HB MET 39 1HB MET 39 -2.536 -4.632 -1.461 109 2HB MET 39 2HB MET 39 -2.550 -5.309 -3.087 110 1HG MET 39 1HG MET 39 -4.609 -6.403 -2.708 111 2HG MET 39 2HG MET 39 -4.550 -6.065 -0.981 112 1HE MET 39 1HE MET 39 -6.709 -5.020 -0.591 113 2HE MET 39 2HE MET 39 -7.283 -5.312 -2.230 114 3HE MET 39 3HE MET 39 -7.437 -3.707 -1.518 115 H LEU 40 H LEU 40 -0.663 -4.939 -0.363 116 HA LEU 40 HA LEU 40 1.588 -4.822 -1.986 117 1HB LEU 40 1HB LEU 40 1.291 -4.268 0.957 118 2HB LEU 40 2HB LEU 40 2.711 -3.851 0.016 119 HG LEU 40 HG LEU 40 1.352 -1.895 0.229 120 1HD1 LEU 40 1HD1 LEU 40 0.832 -2.917 -2.541 121 1HD2 LEU 40 1HD2 LEU 40 -0.909 -3.419 -1.040 122 H LEU 41 H LEU 41 1.240 -6.531 1.130 123 HA LEU 41 HA LEU 41 3.717 -7.794 1.085 124 1HB LEU 41 1HB LEU 41 1.126 -8.270 2.440 125 2HB LEU 41 2HB LEU 41 2.267 -9.601 2.425 126 HG LEU 41 HG LEU 41 2.254 -7.842 4.390 127 1HD1 LEU 41 1HD1 LEU 41 4.841 -8.759 3.137 128 1HD2 LEU 41 1HD2 LEU 41 3.789 -6.031 4.064 129 H LYS 42 H LYS 42 0.651 -8.807 -0.333 130 HA LYS 42 HA LYS 42 1.697 -11.313 -1.248 131 1HB LYS 42 1HB LYS 42 -0.842 -9.795 -1.822 132 2HB LYS 42 2HB LYS 42 -0.456 -11.328 -2.595 133 1HG LYS 42 1HG LYS 42 -1.911 -11.213 -0.397 134 2HG LYS 42 2HG LYS 42 -0.800 -12.540 -0.720 135 1HD LYS 42 1HD LYS 42 0.863 -11.589 0.719 136 2HD LYS 42 2HD LYS 42 -0.077 -10.110 0.913 137 1HE LYS 42 1HE LYS 42 -1.787 -11.285 2.115 138 2HE LYS 42 2HE LYS 42 -1.019 -12.836 1.781 139 1HZ LYS 42 1HZ LYS 42 0.525 -12.515 3.375 140 2HZ LYS 42 2HZ LYS 42 -0.667 -11.525 4.038 141 3HZ LYS 42 3HZ LYS 42 0.595 -10.842 3.156 142 H TYR 43 H TYR 43 1.709 -8.093 -2.379 143 HA TYR 43 HA TYR 43 2.193 -8.842 -5.141 144 1HB TYR 43 1HB TYR 43 1.569 -6.359 -3.683 145 2HB TYR 43 2HB TYR 43 2.682 -6.161 -5.030 146 HD1 TYR 43 HD1 TYR 43 1.954 -6.576 -7.321 147 HD2 TYR 43 HD2 TYR 43 -0.746 -7.005 -4.063 148 HE1 TYR 43 HE1 TYR 43 0.062 -6.567 -8.890 149 HE2 TYR 43 HE2 TYR 43 -2.640 -7.008 -5.622 150 HH TYR 43 HH TYR 43 -2.253 -7.334 -8.990 151 H MET 44 H MET 44 3.941 -7.987 -2.294 152 HA MET 44 HA MET 44 6.443 -7.825 -3.847 153 1HB MET 44 1HB MET 44 7.389 -6.614 -1.970 154 2HB MET 44 2HB MET 44 5.898 -5.843 -2.496 155 1HG MET 44 1HG MET 44 4.748 -7.182 -0.669 156 2HG MET 44 2HG MET 44 6.360 -7.521 -0.051 157 1HE MET 44 1HE MET 44 4.772 -3.229 -0.598 158 2HE MET 44 2HE MET 44 4.149 -4.656 -1.418 159 3HE MET 44 3HE MET 44 5.749 -4.038 -1.825 160 H GLY 45 H GLY 45 4.894 -9.304 -1.074 161 1HA GLY 45 1HA GLY 45 5.295 -11.435 -0.246 162 2HA GLY 45 2HA GLY 45 6.757 -11.527 -1.219 163 H GLY 46 H GLY 46 5.745 -9.052 1.081 164 1HA GLY 46 1HA GLY 46 6.857 -9.584 3.397 165 2HA GLY 46 2HA GLY 46 8.307 -9.359 2.424 166 H LEU 47 H LEU 47 6.256 -7.829 4.470 167 HA LEU 47 HA LEU 47 5.622 -5.400 3.443 168 1HB LEU 47 1HB LEU 47 5.072 -5.954 5.692 169 2HB LEU 47 2HB LEU 47 6.751 -6.057 6.151 170 HG LEU 47 HG LEU 47 7.022 -3.676 5.957 171 1HD1 LEU 47 1HD1 LEU 47 5.795 -2.804 4.283 172 1HD2 LEU 47 1HD2 LEU 47 5.569 -2.936 7.734 173 H GLN 48 H GLN 48 8.767 -6.576 4.353 174 HA GLN 48 HA GLN 48 10.351 -4.383 4.422 175 1HB GLN 48 1HB GLN 48 11.061 -6.817 4.484 176 2HB GLN 48 2HB GLN 48 10.977 -6.794 2.727 177 1HG GLN 48 1HG GLN 48 13.255 -6.499 3.492 178 2HG GLN 48 2HG GLN 48 12.684 -5.056 2.655 179 1HE2 GLN 48 1HE2 GLN 48 13.490 -6.457 5.733 180 H GLY 49 H GLY 49 9.110 -6.009 1.552 181 1HA GLY 49 1HA GLY 49 10.384 -4.437 -0.395 182 2HA GLY 49 2HA GLY 49 8.868 -5.306 -0.626 183 H LEU 50 H LEU 50 7.517 -3.994 1.486 184 HA LEU 50 HA LEU 50 6.630 -1.661 0.069 185 1HB LEU 50 1HB LEU 50 4.890 -2.843 1.047 186 2HB LEU 50 2HB LEU 50 5.779 -3.122 2.529 187 HG LEU 50 HG LEU 50 5.432 -0.894 3.254 188 1HD1 LEU 50 1HD1 LEU 50 4.035 -0.326 0.646 189 1HD2 LEU 50 1HD2 LEU 50 2.795 -1.728 2.082 190 H ARG 51 H ARG 51 8.052 -2.291 3.251 191 HA ARG 51 HA ARG 51 8.323 0.294 4.151 192 1HB ARG 51 1HB ARG 51 10.314 -1.935 4.523 193 2HB ARG 51 2HB ARG 51 10.116 -0.528 5.563 194 1HG ARG 51 1HG ARG 51 7.611 -1.832 5.316 195 2HG ARG 51 2HG ARG 51 8.829 -3.031 5.737 196 1HD ARG 51 1HD ARG 51 8.170 -0.487 7.206 197 2HD ARG 51 2HD ARG 51 7.909 -2.140 7.763 198 HE ARG 51 HE ARG 51 10.667 -1.504 7.201 199 1HH1 ARG 51 1HH1 ARG 51 8.143 -1.488 9.603 200 1HH2 ARG 51 1HH2 ARG 51 12.123 -1.443 8.957 201 H ASN 52 H ASN 52 10.112 -1.443 1.770 202 HA ASN 52 HA ASN 52 12.087 0.689 1.524 203 1HB ASN 52 1HB ASN 52 11.741 -2.018 0.285 204 2HB ASN 52 2HB ASN 52 12.845 -0.841 -0.428 205 1HD2 ASN 52 1HD2 ASN 52 12.056 -2.560 2.525 206 H ALA 53 H ALA 53 9.133 -0.322 0.216 207 HA ALA 53 HA ALA 53 9.487 1.009 -2.325 208 1HB ALA 53 1HB ALA 53 7.036 -0.260 -1.114 209 2HB ALA 53 2HB ALA 53 8.167 -1.037 -2.221 210 3HB ALA 53 3HB ALA 53 7.188 0.323 -2.770 211 H SER 54 H SER 54 8.698 2.945 -2.880 212 HA SER 54 HA SER 54 7.385 4.503 -0.783 213 1HB SER 54 1HB SER 54 8.843 5.531 -3.238 214 2HB SER 54 2HB SER 54 8.236 6.488 -1.892 215 HG SER 54 HG SER 54 10.606 5.256 -2.153 216 H VAL 55 H VAL 55 5.998 6.309 -2.021 217 HA VAL 55 HA VAL 55 3.718 5.140 -2.935 218 HB VAL 55 HB VAL 55 4.942 7.800 -3.285 219 1HG1 VAL 55 1HG1 VAL 55 4.213 7.369 -5.550 220 1HG2 VAL 55 1HG2 VAL 55 2.125 7.062 -2.548 221 H GLU 56 H GLU 56 6.562 6.058 -4.736 222 HA GLU 56 HA GLU 56 5.827 5.856 -7.322 223 1HB GLU 56 1HB GLU 56 8.190 4.605 -7.485 224 2HB GLU 56 2HB GLU 56 8.033 6.333 -7.229 225 1HG GLU 56 1HG GLU 56 8.300 6.020 -4.844 226 2HG GLU 56 2HG GLU 56 8.398 4.276 -5.072 227 H GLU 57 H GLU 57 6.973 3.071 -5.406 228 HA GLU 57 HA GLU 57 5.989 1.249 -7.422 229 1HB GLU 57 1HB GLU 57 7.776 0.218 -6.629 230 2HB GLU 57 2HB GLU 57 7.779 1.112 -5.125 231 1HG GLU 57 1HG GLU 57 6.168 -0.346 -4.194 232 2HG GLU 57 2HG GLU 57 5.945 -1.181 -5.727 233 H ILE 58 H ILE 58 5.364 2.017 -4.066 234 HA ILE 58 HA ILE 58 3.376 0.222 -3.483 235 HB ILE 58 HB ILE 58 3.553 3.135 -2.736 236 2HG1 ILE 58 2HG1 ILE 58 5.414 1.523 -2.016 237 1HG2 ILE 58 1HG2 ILE 58 1.942 1.022 -1.350 238 1HD1 ILE 58 1HD1 ILE 58 4.974 3.623 -0.792 239 H ALA 59 H ALA 59 3.399 2.890 -5.622 240 HA ALA 59 HA ALA 59 0.531 3.028 -5.925 241 1HB ALA 59 1HB ALA 59 1.620 5.095 -6.090 242 2HB ALA 59 2HB ALA 59 1.169 4.680 -7.742 243 3HB ALA 59 3HB ALA 59 2.830 4.463 -7.202 244 H LYS 60 H LYS 60 2.234 0.563 -6.728 245 HA LYS 60 HA LYS 60 1.119 0.376 -9.454 246 1HB LYS 60 1HB LYS 60 3.709 -0.616 -8.322 247 2HB LYS 60 2HB LYS 60 2.947 -1.494 -9.642 248 1HG LYS 60 1HG LYS 60 4.605 0.054 -10.479 249 2HG LYS 60 2HG LYS 60 2.992 0.528 -11.006 250 1HD LYS 60 1HD LYS 60 2.907 2.326 -9.505 251 2HD LYS 60 2HD LYS 60 4.251 1.694 -8.546 252 1HE LYS 60 1HE LYS 60 4.520 2.613 -11.405 253 2HE LYS 60 2HE LYS 60 4.804 3.661 -10.017 254 1HZ LYS 60 1HZ LYS 60 6.462 1.934 -9.281 255 2HZ LYS 60 2HZ LYS 60 6.889 2.822 -10.651 256 3HZ LYS 60 3HZ LYS 60 6.316 1.243 -10.816 257 H VAL 61 H VAL 61 -0.181 -0.116 -6.998 258 HA VAL 61 HA VAL 61 -0.653 -2.998 -7.241 259 HB VAL 61 HB VAL 61 -1.323 -2.301 -4.606 260 1HG1 VAL 61 1HG1 VAL 61 1.280 -3.610 -5.048 261 1HG2 VAL 61 1HG2 VAL 61 0.978 -0.762 -5.566 262 HA PRO 62 HA PRO 62 -5.027 -2.806 -7.456 263 1HB PRO 62 1HB PRO 62 -5.813 -3.293 -4.786 264 2HB PRO 62 2HB PRO 62 -5.585 -4.507 -6.054 265 1HG PRO 62 1HG PRO 62 -3.648 -3.533 -3.978 266 2HG PRO 62 2HG PRO 62 -3.947 -5.201 -4.530 267 1HD PRO 62 1HD PRO 62 -1.830 -3.967 -5.424 268 2HD PRO 62 2HD PRO 62 -2.867 -4.785 -6.615 269 H GLY 63 H GLY 63 -5.589 -0.720 -7.870 270 1HA GLY 63 1HA GLY 63 -6.615 1.299 -7.439 271 2HA GLY 63 2HA GLY 63 -6.754 0.801 -5.757 272 H ILE 64 H ILE 64 -3.976 0.271 -5.401 273 HA ILE 64 HA ILE 64 -3.090 2.805 -4.582 274 HB ILE 64 HB ILE 64 -1.084 0.670 -5.001 275 2HG1 ILE 64 2HG1 ILE 64 -2.875 -0.787 -4.466 276 1HG2 ILE 64 1HG2 ILE 64 -0.304 1.344 -2.873 277 1HD1 ILE 64 1HD1 ILE 64 -0.878 -0.381 -2.514 278 H SER 65 H SER 65 -3.302 4.006 -6.496 279 HA SER 65 HA SER 65 -1.377 3.464 -8.630 280 1HB SER 65 1HB SER 65 -3.960 4.879 -8.392 281 2HB SER 65 2HB SER 65 -2.796 5.566 -9.520 282 HG SER 65 HG SER 65 -3.321 2.794 -9.531 283 H GLN 66 H GLN 66 -2.001 5.518 -5.997 284 HA GLN 66 HA GLN 66 0.510 6.665 -5.930 285 1HB GLN 66 1HB GLN 66 -0.328 7.835 -8.004 286 2HB GLN 66 2HB GLN 66 -1.565 8.578 -7.004 287 1HG GLN 66 1HG GLN 66 1.334 8.874 -6.330 288 2HG GLN 66 2HG GLN 66 0.566 9.914 -7.529 289 1HE2 GLN 66 1HE2 GLN 66 1.712 10.593 -4.945 290 H GLY 67 H GLY 67 -2.885 7.651 -5.513 291 1HA GLY 67 1HA GLY 67 -2.477 9.038 -3.099 292 2HA GLY 67 2HA GLY 67 -4.008 8.329 -3.603 293 H LEU 68 H LEU 68 -4.000 5.844 -3.394 294 HA LEU 68 HA LEU 68 -3.848 5.050 -0.781 295 1HB LEU 68 1HB LEU 68 -4.755 3.846 -2.942 296 2HB LEU 68 2HB LEU 68 -3.163 3.128 -2.980 297 HG LEU 68 HG LEU 68 -4.462 1.533 -1.890 298 1HD1 LEU 68 1HD1 LEU 68 -2.362 2.213 -0.732 299 1HD2 LEU 68 1HD2 LEU 68 -6.168 1.934 -0.338 300 H ALA 69 H ALA 69 -1.505 4.832 -3.347 301 HA ALA 69 HA ALA 69 0.534 3.532 -2.057 302 1HB ALA 69 1HB ALA 69 0.624 4.081 -4.433 303 2HB ALA 69 2HB ALA 69 2.079 4.628 -3.607 304 3HB ALA 69 3HB ALA 69 0.824 5.786 -4.040 305 H GLU 70 H GLU 70 -0.302 6.957 -1.962 306 HA GLU 70 HA GLU 70 1.845 7.759 -0.315 307 1HB GLU 70 1HB GLU 70 -0.908 8.961 -0.153 308 2HB GLU 70 2HB GLU 70 0.645 9.765 0.042 309 1HG GLU 70 1HG GLU 70 1.041 9.280 -2.393 310 2HG GLU 70 2HG GLU 70 -0.648 8.790 -2.459 311 H LYS 71 H LYS 71 -1.469 6.836 0.322 312 HA LYS 71 HA LYS 71 -1.666 6.954 3.029 313 1HB LYS 71 1HB LYS 71 -2.682 4.732 1.260 314 2HB LYS 71 2HB LYS 71 -3.393 5.272 2.754 315 1HG LYS 71 1HG LYS 71 -3.328 6.686 0.126 316 2HG LYS 71 2HG LYS 71 -4.731 6.158 1.046 317 1HD LYS 71 1HD LYS 71 -4.216 7.802 2.781 318 2HD LYS 71 2HD LYS 71 -2.799 8.321 1.865 319 1HE LYS 71 1HE LYS 71 -4.257 8.989 0.009 320 2HE LYS 71 2HE LYS 71 -5.666 8.490 0.943 321 1HZ LYS 71 1HZ LYS 71 -4.948 10.137 2.649 322 2HZ LYS 71 2HZ LYS 71 -5.441 10.816 1.188 323 3HZ LYS 71 3HZ LYS 71 -3.799 10.705 1.555 324 H ILE 72 H ILE 72 -0.394 4.364 1.048 325 HA ILE 72 HA ILE 72 0.389 2.681 3.226 326 HB ILE 72 HB ILE 72 1.100 2.645 0.304 327 2HG1 ILE 72 2HG1 ILE 72 -1.254 2.349 0.805 328 1HG2 ILE 72 1HG2 ILE 72 2.689 1.180 0.823 329 1HD1 ILE 72 1HD1 ILE 72 -0.453 1.071 -1.069 330 H PHE 73 H PHE 73 1.931 4.984 1.114 331 HA PHE 73 HA PHE 73 4.591 4.503 1.639 332 1HB PHE 73 1HB PHE 73 4.116 6.096 -0.017 333 2HB PHE 73 2HB PHE 73 3.069 7.027 1.045 334 HD1 PHE 73 HD1 PHE 73 3.921 8.751 2.396 335 HD2 PHE 73 HD2 PHE 73 6.582 6.155 0.329 336 HE1 PHE 73 HE1 PHE 73 5.798 10.233 2.951 337 HE2 PHE 73 HE2 PHE 73 8.462 7.639 0.884 338 HZ PHE 73 HZ PHE 73 8.070 9.680 2.198 339 H TRP 74 H TRP 74 2.421 6.725 3.354 340 HA TRP 74 HA TRP 74 4.194 7.464 5.385 341 1HB TRP 74 1HB TRP 74 1.229 7.166 5.827 342 2HB TRP 74 2HB TRP 74 2.325 8.338 6.546 343 HD1 TRP 74 HD1 TRP 74 -0.080 7.922 3.743 344 HE1 TRP 74 HE1 TRP 74 -0.045 10.009 2.233 345 HE3 TRP 74 HE3 TRP 74 4.105 10.166 5.585 346 HZ2 TRP 74 HZ2 TRP 74 1.559 12.313 1.884 347 HZ3 TRP 74 HZ3 TRP 74 4.828 12.309 4.619 348 HH2 TRP 74 HH2 TRP 74 3.573 13.360 2.803 349 H SER 75 H SER 75 2.559 4.529 4.817 350 HA SER 75 HA SER 75 2.170 3.603 7.432 351 1HB SER 75 1HB SER 75 2.765 1.909 5.009 352 2HB SER 75 2HB SER 75 1.920 1.415 6.472 353 HG SER 75 HG SER 75 0.843 3.620 5.208 354 H LEU 76 H LEU 76 5.023 3.385 5.322 355 HA LEU 76 HA LEU 76 6.514 2.539 7.682 356 1HB LEU 76 1HB LEU 76 7.911 1.243 5.845 357 2HB LEU 76 2HB LEU 76 6.592 0.524 6.736 358 HG LEU 76 HG LEU 76 6.604 0.003 4.310 359 1HD1 LEU 76 1HD1 LEU 76 4.112 0.944 4.084 360 1HD2 LEU 76 1HD2 LEU 76 7.315 2.441 3.755 361 H LYS 77 H LYS 77 6.607 4.111 4.540 362 HA LYS 77 HA LYS 77 9.357 4.693 4.587 363 1HB LYS 77 1HB LYS 77 7.045 5.826 3.046 364 2HB LYS 77 2HB LYS 77 8.664 6.496 2.890 365 1HG LYS 77 1HG LYS 77 7.707 3.750 2.159 366 2HG LYS 77 2HG LYS 77 8.453 4.971 1.128 367 1HD LYS 77 1HD LYS 77 10.521 4.746 2.517 368 2HD LYS 77 2HD LYS 77 9.757 3.369 3.312 369 1HE LYS 77 1HE LYS 77 11.233 2.609 1.538 370 2HE LYS 77 2HE LYS 77 9.555 2.250 1.139 371 1HZ LYS 77 1HZ LYS 77 9.488 4.014 -0.388 372 2HZ LYS 77 2HZ LYS 77 10.934 3.205 -0.701 373 3HZ LYS 77 3HZ LYS 77 10.948 4.660 0.152 374 H HIS 78 H HIS 78 7.332 7.462 4.243 375 HA HIS 78 HA HIS 78 7.371 8.608 6.721 376 1HB HIS 78 1HB HIS 78 9.381 10.180 6.303 377 2HB HIS 78 2HB HIS 78 9.683 8.588 6.975 378 HD1 HIS 78 HD1 HIS 78 9.438 9.993 3.434 379 HD2 HIS 78 HD2 HIS 78 11.841 7.534 5.775 380 HE1 HIS 78 HE1 HIS 78 11.301 9.219 1.922 381 HE2 HIS 78 HE2 HIS 78 12.798 7.832 3.389 Start of MODEL 4 1 H THR 23 H THR 23 4.689 5.174 10.895 2 HA THR 23 HA THR 23 4.721 2.464 11.935 3 HB THR 23 HB THR 23 4.252 4.755 13.761 4 HG1 THR 23 HG1 THR 23 5.802 5.849 12.766 5 1HG2 THR 23 1HG2 THR 23 5.828 3.569 15.146 6 H SER 24 H SER 24 2.444 4.493 10.732 7 HA SER 24 HA SER 24 0.305 3.196 12.276 8 1HB SER 24 1HB SER 24 0.283 6.050 11.258 9 2HB SER 24 2HB SER 24 -1.014 5.249 12.147 10 HG SER 24 HG SER 24 1.009 6.591 13.138 11 H SER 25 H SER 25 -1.878 3.881 10.852 12 HA SER 25 HA SER 25 -1.319 3.585 8.027 13 1HB SER 25 1HB SER 25 -2.804 1.444 9.551 14 2HB SER 25 2HB SER 25 -2.649 1.527 7.794 15 HG SER 25 HG SER 25 -0.246 1.721 9.087 16 H LEU 26 H LEU 26 -2.956 5.153 10.231 17 HA LEU 26 HA LEU 26 -5.645 5.012 9.723 18 1HB LEU 26 1HB LEU 26 -3.911 7.433 10.205 19 2HB LEU 26 2HB LEU 26 -5.651 7.547 10.057 20 HG LEU 26 HG LEU 26 -5.235 7.534 12.362 21 1HD1 LEU 26 1HD1 LEU 26 -6.262 5.515 13.166 22 1HD2 LEU 26 1HD2 LEU 26 -2.851 6.626 11.971 23 H GLU 27 H GLU 27 -3.270 6.999 7.996 24 HA GLU 27 HA GLU 27 -5.032 7.875 6.002 25 1HB GLU 27 1HB GLU 27 -2.931 8.328 4.689 26 2HB GLU 27 2HB GLU 27 -3.002 9.067 6.281 27 1HG GLU 27 1HG GLU 27 -1.705 6.950 7.031 28 2HG GLU 27 2HG GLU 27 -1.321 6.806 5.315 29 H THR 28 H THR 28 -3.249 4.909 6.387 30 HA THR 28 HA THR 28 -3.507 4.033 3.686 31 HB THR 28 HB THR 28 -3.323 1.939 5.720 32 HG1 THR 28 HG1 THR 28 -1.475 4.101 5.638 33 1HG2 THR 28 1HG2 THR 28 -1.234 1.466 4.378 34 H ILE 29 H ILE 29 -5.414 3.968 6.523 35 HA ILE 29 HA ILE 29 -7.123 1.876 5.933 36 HB ILE 29 HB ILE 29 -7.621 4.371 7.509 37 2HG1 ILE 29 2HG1 ILE 29 -5.971 3.209 8.624 38 1HG2 ILE 29 1HG2 ILE 29 -9.252 1.834 7.486 39 1HD1 ILE 29 1HD1 ILE 29 -8.330 1.602 9.556 40 H GLU 30 H GLU 30 -7.394 2.062 3.745 41 HA GLU 30 HA GLU 30 -9.768 3.530 2.980 42 1HB GLU 30 1HB GLU 30 -7.296 3.442 1.237 43 2HB GLU 30 2HB GLU 30 -8.782 4.328 0.919 44 1HG GLU 30 1HG GLU 30 -7.724 5.154 3.441 45 2HG GLU 30 2HG GLU 30 -6.449 5.223 2.222 46 H GLY 31 H GLY 31 -10.683 1.453 3.249 47 1HA GLY 31 1HA GLY 31 -11.435 -0.577 2.410 48 2HA GLY 31 2HA GLY 31 -10.392 -0.324 0.998 49 H VAL 32 H VAL 32 -9.363 0.033 4.226 50 HA VAL 32 HA VAL 32 -7.335 -2.009 3.889 51 HB VAL 32 HB VAL 32 -7.661 0.437 5.429 52 1HG1 VAL 32 1HG1 VAL 32 -6.289 -0.098 7.289 53 1HG2 VAL 32 1HG2 VAL 32 -5.297 -1.038 4.340 54 H GLY 33 H GLY 33 -6.900 -3.514 5.322 55 1HA GLY 33 1HA GLY 33 -7.348 -4.654 7.434 56 2HA GLY 33 2HA GLY 33 -9.037 -4.220 7.230 57 HA PRO 34 HA PRO 34 -9.846 -7.739 4.698 58 1HB PRO 34 1HB PRO 34 -9.879 -7.148 2.028 59 2HB PRO 34 2HB PRO 34 -11.175 -6.725 3.148 60 1HG PRO 34 1HG PRO 34 -9.026 -5.015 2.019 61 2HG PRO 34 2HG PRO 34 -10.706 -4.613 2.404 62 1HD PRO 34 1HD PRO 34 -8.561 -3.944 3.965 63 2HD PRO 34 2HD PRO 34 -10.214 -4.130 4.574 64 H LYS 35 H LYS 35 -7.904 -6.475 2.078 65 HA LYS 35 HA LYS 35 -5.636 -8.169 2.720 66 1HB LYS 35 1HB LYS 35 -7.200 -8.447 0.144 67 2HB LYS 35 2HB LYS 35 -5.613 -9.145 0.432 68 1HG LYS 35 1HG LYS 35 -8.109 -9.792 1.985 69 2HG LYS 35 2HG LYS 35 -7.402 -10.785 0.708 70 1HD LYS 35 1HD LYS 35 -5.448 -11.208 2.020 71 2HD LYS 35 2HD LYS 35 -5.923 -10.010 3.222 72 1HE LYS 35 1HE LYS 35 -7.285 -12.629 2.633 73 2HE LYS 35 2HE LYS 35 -6.386 -12.204 4.088 74 1HZ LYS 35 1HZ LYS 35 -8.072 -10.443 4.467 75 2HZ LYS 35 2HZ LYS 35 -8.689 -12.009 4.552 76 3HZ LYS 35 3HZ LYS 35 -8.967 -11.070 3.181 77 H ARG 36 H ARG 36 -7.016 -5.431 1.726 78 HA ARG 36 HA ARG 36 -5.782 -4.282 -0.319 79 1HB ARG 36 1HB ARG 36 -7.230 -2.854 0.592 80 2HB ARG 36 2HB ARG 36 -7.084 -3.592 2.167 81 1HG ARG 36 1HG ARG 36 -6.397 -1.441 2.552 82 2HG ARG 36 2HG ARG 36 -4.874 -2.308 2.336 83 1HD ARG 36 1HD ARG 36 -4.668 -0.377 1.087 84 2HD ARG 36 2HD ARG 36 -5.015 -1.631 -0.091 85 HE ARG 36 HE ARG 36 -6.829 0.510 0.771 86 1HH1 ARG 36 1HH1 ARG 36 -6.193 -2.245 -1.282 87 1HH2 ARG 36 1HH2 ARG 36 -8.565 0.958 -0.630 88 H ARG 37 H ARG 37 -4.532 -4.357 3.024 89 HA ARG 37 HA ARG 37 -2.071 -3.111 2.243 90 1HB ARG 37 1HB ARG 37 -2.970 -4.480 4.774 91 2HB ARG 37 2HB ARG 37 -1.366 -3.789 4.590 92 1HG ARG 37 1HG ARG 37 -3.893 -2.215 4.220 93 2HG ARG 37 2HG ARG 37 -3.051 -2.361 5.760 94 1HD ARG 37 1HD ARG 37 -1.834 -1.324 3.220 95 2HD ARG 37 2HD ARG 37 -2.464 -0.308 4.514 96 HE ARG 37 HE ARG 37 -0.095 -2.054 4.690 97 1HH1 ARG 37 1HH1 ARG 37 -2.071 0.515 5.996 98 1HH2 ARG 37 1HH2 ARG 37 1.532 -1.302 6.088 99 H GLN 38 H GLN 38 -3.160 -6.356 3.039 100 HA GLN 38 HA GLN 38 -0.760 -7.711 2.939 101 1HB GLN 38 1HB GLN 38 -3.587 -8.387 2.613 102 2HB GLN 38 2HB GLN 38 -2.514 -9.446 1.707 103 1HG GLN 38 1HG GLN 38 -1.369 -10.113 3.663 104 2HG GLN 38 2HG GLN 38 -2.132 -8.849 4.622 105 1HE2 GLN 38 1HE2 GLN 38 -2.465 -11.991 3.257 106 H MET 39 H MET 39 -2.771 -6.472 0.364 107 HA MET 39 HA MET 39 -1.907 -7.812 -1.839 108 1HB MET 39 1HB MET 39 -2.253 -4.821 -1.616 109 2HB MET 39 2HB MET 39 -2.214 -5.730 -3.122 110 1HG MET 39 1HG MET 39 -4.211 -6.980 -2.358 111 2HG MET 39 2HG MET 39 -4.265 -5.939 -0.941 112 1HE MET 39 1HE MET 39 -4.567 -3.046 -1.328 113 2HE MET 39 2HE MET 39 -4.508 -2.449 -2.987 114 3HE MET 39 3HE MET 39 -3.142 -3.345 -2.321 115 H LEU 40 H LEU 40 -0.350 -4.898 -0.536 116 HA LEU 40 HA LEU 40 1.849 -4.813 -2.162 117 1HB LEU 40 1HB LEU 40 1.662 -4.205 0.787 118 2HB LEU 40 2HB LEU 40 3.024 -3.759 -0.227 119 HG LEU 40 HG LEU 40 1.607 -1.851 0.044 120 1HD1 LEU 40 1HD1 LEU 40 2.632 -2.052 -2.124 121 1HD2 LEU 40 1HD2 LEU 40 -0.710 -1.788 -0.528 122 H LEU 41 H LEU 41 1.454 -6.582 0.882 123 HA LEU 41 HA LEU 41 3.988 -7.778 0.929 124 1HB LEU 41 1HB LEU 41 1.380 -8.266 2.256 125 2HB LEU 41 2HB LEU 41 2.550 -9.571 2.289 126 HG LEU 41 HG LEU 41 2.439 -7.728 4.202 127 1HD1 LEU 41 1HD1 LEU 41 3.900 -9.695 4.151 128 1HD2 LEU 41 1HD2 LEU 41 4.509 -6.590 2.344 129 H LYS 42 H LYS 42 0.979 -8.757 -0.571 130 HA LYS 42 HA LYS 42 2.000 -11.322 -1.384 131 1HB LYS 42 1HB LYS 42 -0.530 -9.787 -1.929 132 2HB LYS 42 2HB LYS 42 -0.151 -11.258 -2.812 133 1HG LYS 42 1HG LYS 42 -1.642 -11.459 -0.754 134 2HG LYS 42 2HG LYS 42 -0.297 -12.589 -0.903 135 1HD LYS 42 1HD LYS 42 1.045 -11.129 0.578 136 2HD LYS 42 2HD LYS 42 -0.363 -10.081 0.769 137 1HE LYS 42 1HE LYS 42 -0.187 -11.571 2.663 138 2HE LYS 42 2HE LYS 42 -1.613 -11.978 1.715 139 1HZ LYS 42 1HZ LYS 42 -0.373 -13.792 0.711 140 2HZ LYS 42 2HZ LYS 42 -0.403 -13.949 2.391 141 3HZ LYS 42 3HZ LYS 42 0.994 -13.395 1.620 142 H TYR 43 H TYR 43 2.061 -8.131 -2.492 143 HA TYR 43 HA TYR 43 2.560 -8.790 -5.269 144 1HB TYR 43 1HB TYR 43 2.091 -6.327 -3.685 145 2HB TYR 43 2HB TYR 43 3.119 -6.152 -5.103 146 HD1 TYR 43 HD1 TYR 43 2.193 -6.919 -7.354 147 HD2 TYR 43 HD2 TYR 43 -0.240 -6.423 -3.901 148 HE1 TYR 43 HE1 TYR 43 0.197 -6.797 -8.786 149 HE2 TYR 43 HE2 TYR 43 -2.242 -6.302 -5.322 150 HH TYR 43 HH TYR 43 -2.774 -5.684 -7.690 151 H MET 44 H MET 44 4.318 -8.033 -2.387 152 HA MET 44 HA MET 44 6.844 -7.962 -3.909 153 1HB MET 44 1HB MET 44 7.808 -6.837 -1.980 154 2HB MET 44 2HB MET 44 6.373 -5.980 -2.534 155 1HG MET 44 1HG MET 44 5.105 -7.282 -0.753 156 2HG MET 44 2HG MET 44 6.679 -7.717 -0.103 157 1HE MET 44 1HE MET 44 5.402 -3.322 -0.609 158 2HE MET 44 2HE MET 44 4.506 -4.675 -1.298 159 3HE MET 44 3HE MET 44 6.123 -4.294 -1.889 160 H GLY 45 H GLY 45 5.243 -9.360 -1.110 161 1HA GLY 45 1HA GLY 45 5.524 -11.552 -0.340 162 2HA GLY 45 2HA GLY 45 7.028 -11.661 -1.247 163 H GLY 46 H GLY 46 6.086 -9.091 0.968 164 1HA GLY 46 1HA GLY 46 7.047 -9.739 3.364 165 2HA GLY 46 2HA GLY 46 8.542 -9.521 2.459 166 H LEU 47 H LEU 47 6.438 -7.993 4.447 167 HA LEU 47 HA LEU 47 5.837 -5.540 3.470 168 1HB LEU 47 1HB LEU 47 5.299 -6.184 5.720 169 2HB LEU 47 2HB LEU 47 6.985 -6.180 6.173 170 HG LEU 47 HG LEU 47 7.007 -3.707 5.653 171 1HD1 LEU 47 1HD1 LEU 47 4.983 -3.647 4.292 172 1HD2 LEU 47 1HD2 LEU 47 7.027 -4.453 7.923 173 H GLN 48 H GLN 48 8.980 -6.685 4.460 174 HA GLN 48 HA GLN 48 10.509 -4.461 4.611 175 1HB GLN 48 1HB GLN 48 11.346 -6.809 4.684 176 2HB GLN 48 2HB GLN 48 11.166 -6.875 2.937 177 1HG GLN 48 1HG GLN 48 12.789 -5.112 2.674 178 2HG GLN 48 2HG GLN 48 12.981 -5.009 4.423 179 1HE2 GLN 48 1HE2 GLN 48 15.123 -5.512 4.408 180 H GLY 49 H GLY 49 9.411 -6.069 1.704 181 1HA GLY 49 1HA GLY 49 10.658 -4.395 -0.177 182 2HA GLY 49 2HA GLY 49 9.230 -5.380 -0.478 183 H LEU 50 H LEU 50 7.676 -4.201 1.561 184 HA LEU 50 HA LEU 50 6.613 -1.998 0.095 185 1HB LEU 50 1HB LEU 50 5.026 -3.381 1.116 186 2HB LEU 50 2HB LEU 50 5.896 -3.418 2.631 187 HG LEU 50 HG LEU 50 5.239 -1.200 3.155 188 1HD1 LEU 50 1HD1 LEU 50 3.922 -1.113 0.444 189 1HD2 LEU 50 1HD2 LEU 50 2.932 -1.510 3.489 190 H ARG 51 H ARG 51 8.307 -2.430 3.131 191 HA ARG 51 HA ARG 51 8.077 0.079 4.240 192 1HB ARG 51 1HB ARG 51 10.618 -1.512 4.288 193 2HB ARG 51 2HB ARG 51 10.001 -0.419 5.522 194 1HG ARG 51 1HG ARG 51 8.025 -2.055 5.629 195 2HG ARG 51 2HG ARG 51 9.130 -3.176 4.833 196 1HD ARG 51 1HD ARG 51 10.550 -1.902 6.907 197 2HD ARG 51 2HD ARG 51 9.008 -2.424 7.576 198 HE ARG 51 HE ARG 51 9.570 -4.661 7.084 199 1HH1 ARG 51 1HH1 ARG 51 12.140 -2.410 6.328 200 1HH2 ARG 51 1HH2 ARG 51 11.173 -6.286 6.938 201 H ASN 52 H ASN 52 10.620 -1.160 2.194 202 HA ASN 52 HA ASN 52 11.740 1.469 1.810 203 1HB ASN 52 1HB ASN 52 13.241 0.149 0.177 204 2HB ASN 52 2HB ASN 52 13.381 -0.183 1.903 205 1HD2 ASN 52 1HD2 ASN 52 10.772 -1.269 -0.177 206 H ALA 53 H ALA 53 9.106 0.034 0.607 207 HA ALA 53 HA ALA 53 9.443 0.854 -2.162 208 1HB ALA 53 1HB ALA 53 7.209 -0.473 -0.646 209 2HB ALA 53 2HB ALA 53 8.193 -1.140 -1.947 210 3HB ALA 53 3HB ALA 53 7.006 0.116 -2.295 211 H SER 54 H SER 54 8.783 2.795 -2.914 212 HA SER 54 HA SER 54 7.494 4.554 -0.996 213 1HB SER 54 1HB SER 54 8.491 5.510 -3.638 214 2HB SER 54 2HB SER 54 8.514 6.320 -2.074 215 HG SER 54 HG SER 54 10.013 4.195 -1.807 216 H VAL 55 H VAL 55 6.092 6.240 -2.355 217 HA VAL 55 HA VAL 55 3.696 5.107 -2.908 218 HB VAL 55 HB VAL 55 5.044 7.604 -3.696 219 1HG1 VAL 55 1HG1 VAL 55 4.157 6.974 -5.840 220 1HG2 VAL 55 1HG2 VAL 55 3.253 8.612 -2.572 221 H GLU 56 H GLU 56 6.409 5.586 -5.055 222 HA GLU 56 HA GLU 56 5.289 4.956 -7.500 223 1HB GLU 56 1HB GLU 56 7.755 3.924 -7.756 224 2HB GLU 56 2HB GLU 56 7.427 5.652 -7.786 225 1HG GLU 56 1HG GLU 56 7.847 4.438 -5.142 226 2HG GLU 56 2HG GLU 56 9.243 4.515 -6.202 227 H GLU 57 H GLU 57 6.928 2.745 -5.243 228 HA GLU 57 HA GLU 57 6.349 0.422 -6.766 229 1HB GLU 57 1HB GLU 57 7.689 1.137 -4.276 230 2HB GLU 57 2HB GLU 57 6.823 -0.383 -4.192 231 1HG GLU 57 1HG GLU 57 9.284 -0.375 -4.906 232 2HG GLU 57 2HG GLU 57 8.147 -1.378 -5.800 233 H ILE 58 H ILE 58 5.161 1.818 -3.763 234 HA ILE 58 HA ILE 58 3.213 -0.075 -3.214 235 HB ILE 58 HB ILE 58 3.434 2.847 -2.561 236 2HG1 ILE 58 2HG1 ILE 58 4.927 1.029 -1.528 237 1HG2 ILE 58 1HG2 ILE 58 1.371 0.988 -1.408 238 1HD1 ILE 58 1HD1 ILE 58 4.718 3.195 -0.452 239 H ALA 59 H ALA 59 3.412 2.522 -5.457 240 HA ALA 59 HA ALA 59 0.599 2.561 -6.071 241 1HB ALA 59 1HB ALA 59 1.845 4.584 -6.394 242 2HB ALA 59 2HB ALA 59 1.279 4.017 -7.962 243 3HB ALA 59 3HB ALA 59 2.962 3.776 -7.494 244 H LYS 60 H LYS 60 1.792 -0.042 -6.215 245 HA LYS 60 HA LYS 60 1.378 -0.590 -9.083 246 1HB LYS 60 1HB LYS 60 3.541 -1.532 -7.278 247 2HB LYS 60 2HB LYS 60 2.871 -2.707 -8.398 248 1HG LYS 60 1HG LYS 60 4.782 -1.700 -9.411 249 2HG LYS 60 2HG LYS 60 3.339 -1.130 -10.252 250 1HD LYS 60 1HD LYS 60 3.404 0.921 -8.865 251 2HD LYS 60 2HD LYS 60 4.925 0.359 -8.167 252 1HE LYS 60 1HE LYS 60 5.966 0.391 -10.360 253 2HE LYS 60 2HE LYS 60 4.440 0.869 -11.101 254 1HZ LYS 60 1HZ LYS 60 5.995 2.733 -10.736 255 2HZ LYS 60 2HZ LYS 60 5.886 2.478 -9.076 256 3HZ LYS 60 3HZ LYS 60 4.518 2.948 -9.941 257 H VAL 61 H VAL 61 -0.448 -0.472 -6.929 258 HA VAL 61 HA VAL 61 -1.339 -3.271 -6.867 259 HB VAL 61 HB VAL 61 -2.406 -1.856 -4.622 260 1HG1 VAL 61 1HG1 VAL 61 -1.293 -3.625 -3.352 261 1HG2 VAL 61 1HG2 VAL 61 -0.267 -0.499 -5.124 262 HA PRO 62 HA PRO 62 -5.354 -1.927 -8.206 263 1HB PRO 62 1HB PRO 62 -7.158 -2.549 -6.304 264 2HB PRO 62 2HB PRO 62 -6.314 -3.802 -7.224 265 1HG PRO 62 1HG PRO 62 -5.652 -2.691 -4.512 266 2HG PRO 62 2HG PRO 62 -5.787 -4.393 -5.014 267 1HD PRO 62 1HD PRO 62 -3.408 -3.196 -4.836 268 2HD PRO 62 2HD PRO 62 -3.754 -4.355 -6.138 269 H GLY 63 H GLY 63 -5.806 0.174 -8.446 270 1HA GLY 63 1HA GLY 63 -6.588 2.277 -7.937 271 2HA GLY 63 2HA GLY 63 -6.987 1.679 -6.330 272 H ILE 64 H ILE 64 -4.468 0.767 -5.572 273 HA ILE 64 HA ILE 64 -3.276 3.060 -4.539 274 HB ILE 64 HB ILE 64 -1.698 0.556 -4.978 275 2HG1 ILE 64 2HG1 ILE 64 -3.587 -0.572 -4.327 276 1HG2 ILE 64 1HG2 ILE 64 -0.638 1.102 -3.000 277 1HD1 ILE 64 1HD1 ILE 64 -3.732 -0.930 -1.910 278 H SER 65 H SER 65 -3.127 4.382 -6.386 279 HA SER 65 HA SER 65 -0.935 3.750 -8.244 280 1HB SER 65 1HB SER 65 -3.617 4.659 -8.621 281 2HB SER 65 2HB SER 65 -2.517 5.922 -9.176 282 HG SER 65 HG SER 65 -2.137 3.221 -9.923 283 H GLN 66 H GLN 66 -2.227 6.007 -5.976 284 HA GLN 66 HA GLN 66 0.259 7.355 -5.693 285 1HB GLN 66 1HB GLN 66 -0.682 8.437 -7.758 286 2HB GLN 66 2HB GLN 66 -2.033 8.993 -6.779 287 1HG GLN 66 1HG GLN 66 -0.409 10.755 -7.053 288 2HG GLN 66 2HG GLN 66 -0.491 10.250 -5.364 289 1HE2 GLN 66 1HE2 GLN 66 1.557 11.073 -4.954 290 H GLY 67 H GLY 67 -3.243 7.906 -5.290 291 1HA GLY 67 1HA GLY 67 -3.028 9.244 -2.826 292 2HA GLY 67 2HA GLY 67 -4.462 8.401 -3.395 293 H LEU 68 H LEU 68 -4.125 5.904 -3.343 294 HA LEU 68 HA LEU 68 -3.909 5.080 -0.684 295 1HB LEU 68 1HB LEU 68 -4.854 3.927 -2.918 296 2HB LEU 68 2HB LEU 68 -3.284 3.159 -2.878 297 HG LEU 68 HG LEU 68 -4.698 1.635 -1.811 298 1HD1 LEU 68 1HD1 LEU 68 -3.436 3.270 0.368 299 1HD2 LEU 68 1HD2 LEU 68 -6.302 2.235 -0.080 300 H ALA 69 H ALA 69 -1.696 4.990 -3.378 301 HA ALA 69 HA ALA 69 0.451 3.692 -2.341 302 1HB ALA 69 1HB ALA 69 1.872 5.026 -3.821 303 2HB ALA 69 2HB ALA 69 0.560 6.183 -4.040 304 3HB ALA 69 3HB ALA 69 0.385 4.532 -4.637 305 H GLU 70 H GLU 70 -0.303 7.141 -1.959 306 HA GLU 70 HA GLU 70 1.875 7.704 -0.246 307 1HB GLU 70 1HB GLU 70 -0.817 9.082 -0.414 308 2HB GLU 70 2HB GLU 70 0.618 9.732 0.365 309 1HG GLU 70 1HG GLU 70 1.654 9.388 -2.018 310 2HG GLU 70 2HG GLU 70 -0.031 9.463 -2.505 311 H LYS 71 H LYS 71 -1.517 6.943 0.261 312 HA LYS 71 HA LYS 71 -1.786 7.067 2.964 313 1HB LYS 71 1HB LYS 71 -2.875 4.988 1.061 314 2HB LYS 71 2HB LYS 71 -3.472 5.271 2.667 315 1HG LYS 71 1HG LYS 71 -4.095 6.635 0.216 316 2HG LYS 71 2HG LYS 71 -4.946 6.650 1.758 317 1HD LYS 71 1HD LYS 71 -3.451 8.364 2.596 318 2HD LYS 71 2HD LYS 71 -2.518 8.312 1.100 319 1HE LYS 71 1HE LYS 71 -3.989 10.197 0.993 320 2HE LYS 71 2HE LYS 71 -4.574 8.975 -0.134 321 1HZ LYS 71 1HZ LYS 71 -6.390 9.921 1.103 322 2HZ LYS 71 2HZ LYS 71 -5.656 9.523 2.570 323 3HZ LYS 71 3HZ LYS 71 -6.200 8.299 1.540 324 H ILE 72 H ILE 72 -0.372 4.534 1.014 325 HA ILE 72 HA ILE 72 0.220 2.834 3.283 326 HB ILE 72 HB ILE 72 1.125 2.612 0.414 327 2HG1 ILE 72 2HG1 ILE 72 -1.271 2.553 0.536 328 1HG2 ILE 72 1HG2 ILE 72 2.521 1.354 1.980 329 1HD1 ILE 72 1HD1 ILE 72 -0.528 0.968 -1.041 330 H PHE 73 H PHE 73 1.963 4.846 1.006 331 HA PHE 73 HA PHE 73 4.560 4.209 1.458 332 1HB PHE 73 1HB PHE 73 3.979 5.868 -0.176 333 2HB PHE 73 2HB PHE 73 3.360 6.950 1.072 334 HD1 PHE 73 HD1 PHE 73 4.707 8.674 1.731 335 HD2 PHE 73 HD2 PHE 73 6.510 5.145 0.210 336 HE1 PHE 73 HE1 PHE 73 6.918 9.739 1.900 337 HE2 PHE 73 HE2 PHE 73 8.727 6.197 0.370 338 HZ PHE 73 HZ PHE 73 8.942 8.466 1.282 339 H TRP 74 H TRP 74 2.865 6.741 3.298 340 HA TRP 74 HA TRP 74 5.040 6.943 5.172 341 1HB TRP 74 1HB TRP 74 2.269 8.103 5.447 342 2HB TRP 74 2HB TRP 74 3.746 8.656 6.230 343 HD1 TRP 74 HD1 TRP 74 1.893 8.790 2.890 344 HE1 TRP 74 HE1 TRP 74 2.967 10.610 1.422 345 HE3 TRP 74 HE3 TRP 74 5.941 9.881 5.803 346 HZ2 TRP 74 HZ2 TRP 74 5.229 12.299 1.500 347 HZ3 TRP 74 HZ3 TRP 74 7.515 11.609 5.039 348 HH2 TRP 74 HH2 TRP 74 7.164 12.793 2.927 349 H SER 75 H SER 75 2.438 4.813 4.892 350 HA SER 75 HA SER 75 2.083 4.565 7.766 351 1HB SER 75 1HB SER 75 0.616 3.252 5.497 352 2HB SER 75 2HB SER 75 0.207 3.087 7.204 353 HG SER 75 HG SER 75 0.114 5.403 5.578 354 H LEU 76 H LEU 76 4.611 3.545 6.486 355 HA LEU 76 HA LEU 76 4.309 0.812 7.537 356 1HB LEU 76 1HB LEU 76 6.586 0.849 5.914 357 2HB LEU 76 2HB LEU 76 5.096 -0.032 5.661 358 HG LEU 76 HG LEU 76 5.082 2.788 4.810 359 1HD1 LEU 76 1HD1 LEU 76 6.352 2.411 2.848 360 1HD2 LEU 76 1HD2 LEU 76 3.897 1.730 2.911 361 H LYS 77 H LYS 77 7.172 2.466 6.460 362 HA LYS 77 HA LYS 77 8.221 2.463 9.203 363 1HB LYS 77 1HB LYS 77 9.602 1.770 6.612 364 2HB LYS 77 2HB LYS 77 10.469 2.071 8.117 365 1HG LYS 77 1HG LYS 77 8.723 -0.211 7.343 366 2HG LYS 77 2HG LYS 77 10.308 -0.219 8.118 367 1HD LYS 77 1HD LYS 77 9.273 0.683 10.166 368 2HD LYS 77 2HD LYS 77 7.700 0.601 9.376 369 1HE LYS 77 1HE LYS 77 7.895 -1.806 9.168 370 2HE LYS 77 2HE LYS 77 9.515 -1.750 9.869 371 1HZ LYS 77 1HZ LYS 77 8.614 -1.017 11.938 372 2HZ LYS 77 2HZ LYS 77 7.763 -2.393 11.468 373 3HZ LYS 77 3HZ LYS 77 7.064 -0.866 11.286 374 H HIS 78 H HIS 78 9.550 3.677 6.156 375 HA HIS 78 HA HIS 78 10.697 5.954 7.090 376 1HB HIS 78 1HB HIS 78 10.238 6.909 4.745 377 2HB HIS 78 2HB HIS 78 11.173 5.426 4.866 378 HD1 HIS 78 HD1 HIS 78 10.575 4.480 2.598 379 HD2 HIS 78 HD2 HIS 78 7.237 5.434 4.872 380 HE1 HIS 78 HE1 HIS 78 8.622 3.473 1.386 381 HE2 HIS 78 HE2 HIS 78 6.611 4.067 2.782 Start of MODEL 5 1 H THR 23 H THR 23 -5.553 14.230 11.524 2 HA THR 23 HA THR 23 -5.923 11.590 12.757 3 HB THR 23 HB THR 23 -7.692 13.063 10.791 4 HG1 THR 23 HG1 THR 23 -7.574 13.961 12.960 5 1HG2 THR 23 1HG2 THR 23 -8.232 10.550 12.386 6 H SER 24 H SER 24 -5.748 9.709 11.570 7 HA SER 24 HA SER 24 -4.869 9.963 8.782 8 1HB SER 24 1HB SER 24 -3.648 7.950 10.651 9 2HB SER 24 2HB SER 24 -3.029 8.552 9.116 10 HG SER 24 HG SER 24 -3.243 10.006 11.550 11 H SER 25 H SER 25 -4.908 7.737 7.686 12 HA SER 25 HA SER 25 -6.773 5.837 8.808 13 1HB SER 25 1HB SER 25 -7.433 7.279 6.231 14 2HB SER 25 2HB SER 25 -8.379 5.985 6.973 15 HG SER 25 HG SER 25 -7.935 7.938 8.763 16 H LEU 26 H LEU 26 -3.961 6.042 7.772 17 HA LEU 26 HA LEU 26 -3.535 4.874 5.319 18 1HB LEU 26 1HB LEU 26 -2.035 4.418 7.895 19 2HB LEU 26 2HB LEU 26 -1.459 3.905 6.322 20 HG LEU 26 HG LEU 26 -0.321 5.853 6.436 21 1HD1 LEU 26 1HD1 LEU 26 -1.346 7.581 5.195 22 1HD2 LEU 26 1HD2 LEU 26 -2.365 7.455 7.872 23 H GLU 27 H GLU 27 -4.703 3.453 8.234 24 HA GLU 27 HA GLU 27 -4.632 0.754 7.086 25 1HB GLU 27 1HB GLU 27 -4.953 -0.072 9.264 26 2HB GLU 27 2HB GLU 27 -3.813 1.258 9.443 27 1HG GLU 27 1HG GLU 27 -6.770 1.511 9.875 28 2HG GLU 27 2HG GLU 27 -5.597 1.210 11.144 29 H THR 28 H THR 28 -6.681 3.386 7.652 30 HA THR 28 HA THR 28 -9.093 1.727 7.385 31 HB THR 28 HB THR 28 -9.274 4.603 8.131 32 HG1 THR 28 HG1 THR 28 -7.584 3.191 9.382 33 1HG2 THR 28 1HG2 THR 28 -11.122 3.778 9.502 34 H ILE 29 H ILE 29 -7.072 3.041 5.460 35 HA ILE 29 HA ILE 29 -8.161 5.046 3.952 36 HB ILE 29 HB ILE 29 -6.979 2.795 2.427 37 2HG1 ILE 29 2HG1 ILE 29 -5.701 2.708 4.531 38 1HG2 ILE 29 1HG2 ILE 29 -7.409 4.843 1.271 39 1HD1 ILE 29 1HD1 ILE 29 -3.437 3.352 3.609 40 H GLU 30 H GLU 30 -9.330 5.049 1.954 41 HA GLU 30 HA GLU 30 -11.774 3.811 2.004 42 1HB GLU 30 1HB GLU 30 -11.835 4.325 -0.496 43 2HB GLU 30 2HB GLU 30 -11.556 5.675 0.592 44 1HG GLU 30 1HG GLU 30 -9.951 6.139 -0.919 45 2HG GLU 30 2HG GLU 30 -9.022 5.035 0.091 46 H GLY 31 H GLY 31 -11.368 1.631 2.563 47 1HA GLY 31 1HA GLY 31 -11.706 -0.548 1.734 48 2HA GLY 31 2HA GLY 31 -10.981 -0.058 0.204 49 H VAL 32 H VAL 32 -9.882 0.324 3.518 50 HA VAL 32 HA VAL 32 -7.759 -1.588 3.047 51 HB VAL 32 HB VAL 32 -7.462 1.321 3.494 52 1HG1 VAL 32 1HG1 VAL 32 -6.482 0.705 5.468 53 1HG2 VAL 32 1HG2 VAL 32 -6.155 -0.802 1.854 54 H GLY 33 H GLY 33 -6.799 -2.290 4.954 55 1HA GLY 33 1HA GLY 33 -6.705 -2.095 7.430 56 2HA GLY 33 2HA GLY 33 -8.443 -1.843 7.357 57 HA PRO 34 HA PRO 34 -9.069 -6.219 7.031 58 1HB PRO 34 1HB PRO 34 -10.142 -6.877 4.664 59 2HB PRO 34 2HB PRO 34 -10.996 -5.851 5.821 60 1HG PRO 34 1HG PRO 34 -9.538 -5.095 3.339 61 2HG PRO 34 2HG PRO 34 -11.021 -4.416 4.023 62 1HD PRO 34 1HD PRO 34 -8.483 -3.314 4.258 63 2HD PRO 34 2HD PRO 34 -9.867 -2.930 5.293 64 H LYS 35 H LYS 35 -7.634 -5.407 3.863 65 HA LYS 35 HA LYS 35 -5.411 -7.117 4.250 66 1HB LYS 35 1HB LYS 35 -6.879 -8.949 3.923 67 2HB LYS 35 2HB LYS 35 -7.690 -8.153 2.582 68 1HG LYS 35 1HG LYS 35 -4.785 -8.863 2.414 69 2HG LYS 35 2HG LYS 35 -6.037 -10.061 2.085 70 1HD LYS 35 1HD LYS 35 -6.206 -7.420 0.709 71 2HD LYS 35 2HD LYS 35 -4.994 -8.576 0.158 72 1HE LYS 35 1HE LYS 35 -6.981 -8.875 -1.143 73 2HE LYS 35 2HE LYS 35 -6.804 -10.265 -0.074 74 1HZ LYS 35 1HZ LYS 35 -8.614 -7.951 0.344 75 2HZ LYS 35 2HZ LYS 35 -8.416 -9.234 1.423 76 3HZ LYS 35 3HZ LYS 35 -9.071 -9.514 -0.102 77 H ARG 36 H ARG 36 -7.353 -5.050 2.352 78 HA ARG 36 HA ARG 36 -6.280 -4.935 -0.099 79 1HB ARG 36 1HB ARG 36 -8.078 -3.511 1.049 80 2HB ARG 36 2HB ARG 36 -6.758 -2.459 1.515 81 1HG ARG 36 1HG ARG 36 -6.747 -3.173 -1.287 82 2HG ARG 36 2HG ARG 36 -8.195 -2.310 -0.784 83 1HD ARG 36 1HD ARG 36 -6.667 -0.610 0.228 84 2HD ARG 36 2HD ARG 36 -5.339 -1.407 -0.606 85 HE ARG 36 HE ARG 36 -6.346 -0.768 -2.681 86 1HH1 ARG 36 1HH1 ARG 36 -7.892 0.562 0.137 87 1HH2 ARG 36 1HH2 ARG 36 -7.360 0.962 -3.833 88 H ARG 37 H ARG 37 -4.830 -3.860 2.887 89 HA ARG 37 HA ARG 37 -2.622 -2.525 1.641 90 1HB ARG 37 1HB ARG 37 -3.067 -3.527 4.451 91 2HB ARG 37 2HB ARG 37 -1.641 -2.636 3.955 92 1HG ARG 37 1HG ARG 37 -4.446 -1.595 3.733 93 2HG ARG 37 2HG ARG 37 -3.371 -1.266 5.095 94 1HD ARG 37 1HD ARG 37 -2.944 -0.539 2.214 95 2HD ARG 37 2HD ARG 37 -3.274 0.572 3.543 96 HE ARG 37 HE ARG 37 -0.813 -1.041 3.343 97 1HH1 ARG 37 1HH1 ARG 37 -2.473 1.941 4.144 98 1HH2 ARG 37 1HH2 ARG 37 1.073 0.020 3.977 99 H GLN 38 H GLN 38 -3.223 -5.642 3.133 100 HA GLN 38 HA GLN 38 -0.702 -6.752 3.010 101 1HB GLN 38 1HB GLN 38 -3.395 -7.692 3.368 102 2HB GLN 38 2HB GLN 38 -2.515 -8.799 2.319 103 1HG GLN 38 1HG GLN 38 -0.732 -8.922 4.024 104 2HG GLN 38 2HG GLN 38 -1.719 -7.916 5.081 105 1HE2 GLN 38 1HE2 GLN 38 -2.060 -9.393 6.662 106 H MET 39 H MET 39 -3.096 -6.286 0.475 107 HA MET 39 HA MET 39 -2.232 -8.009 -1.450 108 1HB MET 39 1HB MET 39 -3.061 -5.122 -1.699 109 2HB MET 39 2HB MET 39 -2.671 -6.100 -3.109 110 1HG MET 39 1HG MET 39 -4.381 -7.767 -2.161 111 2HG MET 39 2HG MET 39 -4.923 -6.417 -1.172 112 1HE MET 39 1HE MET 39 -4.725 -7.938 -4.786 113 2HE MET 39 2HE MET 39 -3.556 -6.616 -4.825 114 3HE MET 39 3HE MET 39 -5.037 -6.512 -5.778 115 H LEU 40 H LEU 40 -0.724 -5.089 -0.284 116 HA LEU 40 HA LEU 40 1.355 -4.745 -2.051 117 1HB LEU 40 1HB LEU 40 1.408 -4.469 0.930 118 2HB LEU 40 2HB LEU 40 2.548 -3.742 -0.192 119 HG LEU 40 HG LEU 40 -0.403 -3.169 -0.204 120 1HD1 LEU 40 1HD1 LEU 40 0.720 -2.514 1.886 121 1HD2 LEU 40 1HD2 LEU 40 0.204 -1.335 -1.638 122 H LEU 41 H LEU 41 1.409 -6.543 0.992 123 HA LEU 41 HA LEU 41 3.921 -7.716 0.662 124 1HB LEU 41 1HB LEU 41 1.553 -8.198 2.374 125 2HB LEU 41 2HB LEU 41 2.660 -9.547 2.188 126 HG LEU 41 HG LEU 41 3.006 -7.920 4.172 127 1HD1 LEU 41 1HD1 LEU 41 5.387 -8.298 4.088 128 1HD2 LEU 41 1HD2 LEU 41 4.174 -5.925 3.752 129 H LYS 42 H LYS 42 0.733 -8.648 -0.394 130 HA LYS 42 HA LYS 42 1.587 -11.193 -1.416 131 1HB LYS 42 1HB LYS 42 -0.923 -9.554 -1.667 132 2HB LYS 42 2HB LYS 42 -0.700 -11.031 -2.594 133 1HG LYS 42 1HG LYS 42 -1.984 -11.323 -0.479 134 2HG LYS 42 2HG LYS 42 -0.558 -12.349 -0.614 135 1HD LYS 42 1HD LYS 42 0.699 -10.829 0.803 136 2HD LYS 42 2HD LYS 42 -0.691 -9.752 0.911 137 1HE LYS 42 1HE LYS 42 -0.372 -12.520 2.043 138 2HE LYS 42 2HE LYS 42 -0.682 -11.020 2.910 139 1HZ LYS 42 1HZ LYS 42 -2.886 -10.948 1.895 140 2HZ LYS 42 2HZ LYS 42 -2.666 -12.370 2.774 141 3HZ LYS 42 3HZ LYS 42 -2.580 -12.401 1.089 142 H TYR 43 H TYR 43 1.659 -7.963 -2.449 143 HA TYR 43 HA TYR 43 1.891 -8.609 -5.274 144 1HB TYR 43 1HB TYR 43 1.145 -6.323 -3.739 145 2HB TYR 43 2HB TYR 43 2.520 -5.885 -4.740 146 HD1 TYR 43 HD1 TYR 43 2.344 -5.982 -7.196 147 HD2 TYR 43 HD2 TYR 43 -1.007 -6.799 -4.703 148 HE1 TYR 43 HE1 TYR 43 0.847 -5.704 -9.124 149 HE2 TYR 43 HE2 TYR 43 -2.511 -6.521 -6.627 150 HH TYR 43 HH TYR 43 -2.030 -5.005 -9.127 151 H MET 44 H MET 44 3.872 -7.935 -2.531 152 HA MET 44 HA MET 44 6.248 -7.766 -4.270 153 1HB MET 44 1HB MET 44 7.325 -6.473 -2.564 154 2HB MET 44 2HB MET 44 5.748 -5.753 -2.869 155 1HG MET 44 1HG MET 44 4.925 -7.147 -0.891 156 2HG MET 44 2HG MET 44 6.626 -7.400 -0.527 157 1HE MET 44 1HE MET 44 5.378 -4.004 -2.139 158 2HE MET 44 2HE MET 44 4.693 -3.220 -0.715 159 3HE MET 44 3HE MET 44 3.968 -4.700 -1.341 160 H GLY 45 H GLY 45 4.918 -9.114 -1.307 161 1HA GLY 45 1HA GLY 45 5.372 -11.137 -0.304 162 2HA GLY 45 2HA GLY 45 6.540 -11.459 -1.580 163 H GLY 46 H GLY 46 6.307 -8.788 0.736 164 1HA GLY 46 1HA GLY 46 8.207 -9.574 2.564 165 2HA GLY 46 2HA GLY 46 9.095 -8.843 1.240 166 H LEU 47 H LEU 47 7.096 -8.289 3.968 167 HA LEU 47 HA LEU 47 6.039 -5.817 3.658 168 1HB LEU 47 1HB LEU 47 6.388 -7.401 5.782 169 2HB LEU 47 2HB LEU 47 7.601 -6.190 6.150 170 HG LEU 47 HG LEU 47 4.628 -5.890 6.000 171 1HD1 LEU 47 1HD1 LEU 47 6.644 -4.815 7.958 172 1HD2 LEU 47 1HD2 LEU 47 6.625 -3.641 5.793 173 H GLN 48 H GLN 48 9.404 -6.559 4.364 174 HA GLN 48 HA GLN 48 10.398 -3.997 4.687 175 1HB GLN 48 1HB GLN 48 11.656 -6.206 4.907 176 2HB GLN 48 2HB GLN 48 11.825 -6.163 3.155 177 1HG GLN 48 1HG GLN 48 13.777 -5.305 4.529 178 2HG GLN 48 2HG GLN 48 13.201 -4.267 3.225 179 1HE2 GLN 48 1HE2 GLN 48 13.953 -2.389 4.124 180 H GLY 49 H GLY 49 9.961 -5.885 1.728 181 1HA GLY 49 1HA GLY 49 10.938 -4.031 -0.108 182 2HA GLY 49 2HA GLY 49 9.700 -5.235 -0.451 183 H LEU 50 H LEU 50 7.997 -4.149 1.677 184 HA LEU 50 HA LEU 50 6.622 -2.176 0.104 185 1HB LEU 50 1HB LEU 50 5.060 -3.468 1.144 186 2HB LEU 50 2HB LEU 50 6.076 -3.768 2.535 187 HG LEU 50 HG LEU 50 5.584 -1.486 3.348 188 1HD1 LEU 50 1HD1 LEU 50 5.098 -0.428 1.210 189 1HD2 LEU 50 1HD2 LEU 50 2.886 -2.557 2.989 190 H ARG 51 H ARG 51 8.068 -2.294 3.319 191 HA ARG 51 HA ARG 51 7.712 0.397 4.002 192 1HB ARG 51 1HB ARG 51 10.124 -1.158 4.863 193 2HB ARG 51 2HB ARG 51 9.153 -0.020 5.789 194 1HG ARG 51 1HG ARG 51 7.280 -1.773 5.460 195 2HG ARG 51 2HG ARG 51 8.616 -2.868 5.132 196 1HD ARG 51 1HD ARG 51 8.514 -1.133 7.570 197 2HD ARG 51 2HD ARG 51 7.810 -2.749 7.532 198 HE ARG 51 HE ARG 51 10.574 -2.599 6.684 199 1HH1 ARG 51 1HH1 ARG 51 8.380 -3.081 9.350 200 1HH2 ARG 51 1HH2 ARG 51 12.082 -3.782 7.919 201 H ASN 52 H ASN 52 9.987 -1.215 2.011 202 HA ASN 52 HA ASN 52 11.695 1.133 1.767 203 1HB ASN 52 1HB ASN 52 11.895 -1.627 0.537 204 2HB ASN 52 2HB ASN 52 13.067 -0.336 0.285 205 1HD2 ASN 52 1HD2 ASN 52 12.784 0.628 3.039 206 H ALA 53 H ALA 53 8.940 -0.092 0.437 207 HA ALA 53 HA ALA 53 9.369 0.966 -2.239 208 1HB ALA 53 1HB ALA 53 6.799 0.140 -2.221 209 2HB ALA 53 2HB ALA 53 7.479 -0.903 -0.970 210 3HB ALA 53 3HB ALA 53 8.167 -0.910 -2.593 211 H SER 54 H SER 54 8.982 3.105 -2.500 212 HA SER 54 HA SER 54 7.110 4.392 -0.694 213 1HB SER 54 1HB SER 54 8.832 5.579 -2.892 214 2HB SER 54 2HB SER 54 7.919 6.482 -1.682 215 HG SER 54 HG SER 54 9.237 5.239 -0.104 216 H VAL 55 H VAL 55 6.029 6.295 -2.353 217 HA VAL 55 HA VAL 55 3.800 5.097 -3.368 218 HB VAL 55 HB VAL 55 5.206 7.648 -3.901 219 1HG1 VAL 55 1HG1 VAL 55 3.007 6.560 -5.634 220 1HG2 VAL 55 1HG2 VAL 55 3.418 6.979 -2.090 221 H GLU 56 H GLU 56 6.878 5.688 -4.904 222 HA GLU 56 HA GLU 56 6.332 5.097 -7.525 223 1HB GLU 56 1HB GLU 56 8.754 4.162 -7.468 224 2HB GLU 56 2HB GLU 56 8.467 5.863 -7.186 225 1HG GLU 56 1HG GLU 56 8.652 5.490 -4.781 226 2HG GLU 56 2HG GLU 56 8.933 3.772 -5.075 227 H GLU 57 H GLU 57 7.260 2.797 -4.971 228 HA GLU 57 HA GLU 57 6.870 0.567 -6.766 229 1HB GLU 57 1HB GLU 57 8.165 1.059 -4.228 230 2HB GLU 57 2HB GLU 57 7.151 -0.367 -4.169 231 1HG GLU 57 1HG GLU 57 9.724 0.019 -5.399 232 2HG GLU 57 2HG GLU 57 8.875 -1.471 -5.005 233 H ILE 58 H ILE 58 5.479 1.823 -3.792 234 HA ILE 58 HA ILE 58 3.578 -0.128 -3.338 235 HB ILE 58 HB ILE 58 3.574 2.823 -2.754 236 2HG1 ILE 58 2HG1 ILE 58 5.261 1.253 -1.674 237 1HG2 ILE 58 1HG2 ILE 58 1.279 1.902 -2.923 238 1HD1 ILE 58 1HD1 ILE 58 4.742 3.331 -0.563 239 H ALA 59 H ALA 59 3.645 2.493 -5.604 240 HA ALA 59 HA ALA 59 0.863 2.379 -6.267 241 1HB ALA 59 1HB ALA 59 2.290 4.394 -6.572 242 2HB ALA 59 2HB ALA 59 1.392 3.929 -8.016 243 3HB ALA 59 3HB ALA 59 3.111 3.559 -7.887 244 H LYS 60 H LYS 60 2.230 -0.182 -6.357 245 HA LYS 60 HA LYS 60 1.941 -0.801 -9.226 246 1HB LYS 60 1HB LYS 60 3.912 -1.686 -7.210 247 2HB LYS 60 2HB LYS 60 3.264 -2.961 -8.229 248 1HG LYS 60 1HG LYS 60 5.268 -2.165 -9.224 249 2HG LYS 60 2HG LYS 60 3.920 -1.611 -10.215 250 1HD LYS 60 1HD LYS 60 4.123 0.591 -9.458 251 2HD LYS 60 2HD LYS 60 5.100 0.117 -8.066 252 1HE LYS 60 1HE LYS 60 6.900 -0.566 -9.619 253 2HE LYS 60 2HE LYS 60 5.930 0.026 -10.964 254 1HZ LYS 60 1HZ LYS 60 7.277 1.547 -8.838 255 2HZ LYS 60 2HZ LYS 60 5.951 2.217 -9.634 256 3HZ LYS 60 3HZ LYS 60 7.331 1.782 -10.510 257 H VAL 61 H VAL 61 0.072 -0.678 -6.825 258 HA VAL 61 HA VAL 61 -0.907 -3.461 -6.984 259 HB VAL 61 HB VAL 61 -2.078 -2.169 -4.757 260 1HG1 VAL 61 1HG1 VAL 61 0.158 -4.187 -4.954 261 1HG2 VAL 61 1HG2 VAL 61 -0.246 -0.498 -5.045 262 HA PRO 62 HA PRO 62 -5.042 -2.368 -8.289 263 1HB PRO 62 1HB PRO 62 -6.421 -2.092 -5.794 264 2HB PRO 62 2HB PRO 62 -6.391 -3.504 -6.846 265 1HG PRO 62 1HG PRO 62 -4.794 -2.896 -4.427 266 2HG PRO 62 2HG PRO 62 -5.321 -4.458 -5.063 267 1HD PRO 62 1HD PRO 62 -2.798 -3.672 -5.262 268 2HD PRO 62 2HD PRO 62 -3.570 -4.577 -6.572 269 H GLY 63 H GLY 63 -6.952 -0.632 -6.786 270 1HA GLY 63 1HA GLY 63 -6.569 1.823 -7.659 271 2HA GLY 63 2HA GLY 63 -7.175 1.579 -6.025 272 H ILE 64 H ILE 64 -4.572 0.313 -5.290 273 HA ILE 64 HA ILE 64 -3.276 2.473 -4.145 274 HB ILE 64 HB ILE 64 -1.908 -0.096 -4.873 275 2HG1 ILE 64 2HG1 ILE 64 -3.956 -0.835 -3.974 276 1HG2 ILE 64 1HG2 ILE 64 -1.650 1.724 -2.495 277 1HD1 ILE 64 1HD1 ILE 64 -1.894 -0.724 -1.803 278 H SER 65 H SER 65 -3.072 3.969 -5.843 279 HA SER 65 HA SER 65 -0.812 3.445 -7.640 280 1HB SER 65 1HB SER 65 -3.473 4.597 -8.078 281 2HB SER 65 2HB SER 65 -2.155 5.540 -8.771 282 HG SER 65 HG SER 65 -1.500 3.242 -9.530 283 H GLN 66 H GLN 66 -2.647 6.176 -6.326 284 HA GLN 66 HA GLN 66 -0.101 7.329 -5.420 285 1HB GLN 66 1HB GLN 66 -1.096 8.478 -7.458 286 2HB GLN 66 2HB GLN 66 -2.438 8.955 -6.426 287 1HG GLN 66 1HG GLN 66 -0.693 10.692 -6.717 288 2HG GLN 66 2HG GLN 66 -1.008 10.252 -5.035 289 1HE2 GLN 66 1HE2 GLN 66 1.007 10.918 -4.320 290 H GLY 67 H GLY 67 -3.634 7.596 -5.123 291 1HA GLY 67 1HA GLY 67 -3.729 8.856 -2.648 292 2HA GLY 67 2HA GLY 67 -4.960 7.742 -3.234 293 H LEU 68 H LEU 68 -4.093 5.373 -3.190 294 HA LEU 68 HA LEU 68 -3.721 4.694 -0.463 295 1HB LEU 68 1HB LEU 68 -4.665 3.394 -2.675 296 2HB LEU 68 2HB LEU 68 -3.096 2.643 -2.476 297 HG LEU 68 HG LEU 68 -4.671 1.279 -1.342 298 1HD1 LEU 68 1HD1 LEU 68 -2.631 1.453 -0.157 299 1HD2 LEU 68 1HD2 LEU 68 -6.526 2.746 -1.122 300 H ALA 69 H ALA 69 -1.653 4.699 -3.307 301 HA ALA 69 HA ALA 69 0.571 3.448 -2.339 302 1HB ALA 69 1HB ALA 69 0.338 4.341 -4.650 303 2HB ALA 69 2HB ALA 69 1.894 4.704 -3.904 304 3HB ALA 69 3HB ALA 69 0.655 5.957 -4.006 305 H GLU 70 H GLU 70 -0.087 6.927 -2.145 306 HA GLU 70 HA GLU 70 2.022 7.575 -0.440 307 1HB GLU 70 1HB GLU 70 -0.715 8.850 -0.647 308 2HB GLU 70 2HB GLU 70 0.684 9.577 0.133 309 1HG GLU 70 1HG GLU 70 1.816 9.305 -2.139 310 2HG GLU 70 2HG GLU 70 0.193 9.055 -2.758 311 H LYS 71 H LYS 71 -1.354 6.801 0.258 312 HA LYS 71 HA LYS 71 -1.423 7.020 2.979 313 1HB LYS 71 1HB LYS 71 -2.752 5.141 1.052 314 2HB LYS 71 2HB LYS 71 -3.053 5.026 2.771 315 1HG LYS 71 1HG LYS 71 -4.454 6.569 1.028 316 2HG LYS 71 2HG LYS 71 -4.406 6.782 2.778 317 1HD LYS 71 1HD LYS 71 -2.867 8.523 2.650 318 2HD LYS 71 2HD LYS 71 -2.343 8.074 1.027 319 1HE LYS 71 1HE LYS 71 -4.404 8.840 0.082 320 2HE LYS 71 2HE LYS 71 -5.093 9.113 1.683 321 1HZ LYS 71 1HZ LYS 71 -4.160 11.097 0.398 322 2HZ LYS 71 2HZ LYS 71 -2.644 10.511 0.844 323 3HZ LYS 71 3HZ LYS 71 -3.759 10.946 2.031 324 H ILE 72 H ILE 72 -0.168 4.418 1.002 325 HA ILE 72 HA ILE 72 0.430 2.701 3.218 326 HB ILE 72 HB ILE 72 1.411 2.603 0.367 327 2HG1 ILE 72 2HG1 ILE 72 -1.051 2.482 0.649 328 1HG2 ILE 72 1HG2 ILE 72 2.689 1.325 2.193 329 1HD1 ILE 72 1HD1 ILE 72 -1.345 0.183 -0.397 330 H PHE 73 H PHE 73 2.189 4.821 1.062 331 HA PHE 73 HA PHE 73 4.792 4.378 1.851 332 1HB PHE 73 1HB PHE 73 4.443 5.794 0.003 333 2HB PHE 73 2HB PHE 73 3.325 6.820 0.891 334 HD1 PHE 73 HD1 PHE 73 4.169 8.472 2.498 335 HD2 PHE 73 HD2 PHE 73 6.794 6.150 0.088 336 HE1 PHE 73 HE1 PHE 73 5.994 10.054 2.968 337 HE2 PHE 73 HE2 PHE 73 8.624 7.725 0.558 338 HZ PHE 73 HZ PHE 73 8.224 9.680 1.999 339 H TRP 74 H TRP 74 2.482 6.717 3.182 340 HA TRP 74 HA TRP 74 4.180 7.615 5.250 341 1HB TRP 74 1HB TRP 74 1.164 7.686 5.096 342 2HB TRP 74 2HB TRP 74 2.165 8.647 6.176 343 HD1 TRP 74 HD1 TRP 74 0.552 8.806 2.841 344 HE1 TRP 74 HE1 TRP 74 1.376 10.878 1.547 345 HE3 TRP 74 HE3 TRP 74 4.529 10.089 5.795 346 HZ2 TRP 74 HZ2 TRP 74 3.435 12.793 1.759 347 HZ3 TRP 74 HZ3 TRP 74 5.870 12.059 5.180 348 HH2 TRP 74 HH2 TRP 74 5.332 13.380 3.203 349 H SER 75 H SER 75 2.478 4.707 4.895 350 HA SER 75 HA SER 75 1.759 4.289 7.620 351 1HB SER 75 1HB SER 75 2.213 2.076 5.642 352 2HB SER 75 2HB SER 75 1.061 2.147 6.976 353 HG SER 75 HG SER 75 0.513 4.188 5.402 354 H LEU 76 H LEU 76 4.078 2.334 5.753 355 HA LEU 76 HA LEU 76 5.266 1.316 8.094 356 1HB LEU 76 1HB LEU 76 7.198 0.996 6.127 357 2HB LEU 76 2HB LEU 76 6.006 -0.177 6.627 358 HG LEU 76 HG LEU 76 6.070 0.019 4.225 359 1HD1 LEU 76 1HD1 LEU 76 3.710 0.409 5.796 360 1HD2 LEU 76 1HD2 LEU 76 5.284 2.901 4.571 361 H LYS 77 H LYS 77 6.898 3.324 5.636 362 HA LYS 77 HA LYS 77 8.091 4.856 7.811 363 1HB LYS 77 1HB LYS 77 9.604 3.254 5.775 364 2HB LYS 77 2HB LYS 77 10.329 4.647 6.567 365 1HG LYS 77 1HG LYS 77 11.056 2.953 7.914 366 2HG LYS 77 2HG LYS 77 9.569 3.415 8.746 367 1HD LYS 77 1HD LYS 77 8.425 1.621 7.352 368 2HD LYS 77 2HD LYS 77 10.046 1.062 6.943 369 1HE LYS 77 1HE LYS 77 8.879 1.289 9.712 370 2HE LYS 77 2HE LYS 77 9.156 -0.198 8.807 371 1HZ LYS 77 1HZ LYS 77 11.465 0.055 8.980 372 2HZ LYS 77 2HZ LYS 77 10.883 0.433 10.520 373 3HZ LYS 77 3HZ LYS 77 11.357 1.666 9.475 374 H HIS 78 H HIS 78 9.195 4.728 4.486 375 HA HIS 78 HA HIS 78 7.636 6.669 3.313 376 1HB HIS 78 1HB HIS 78 9.110 8.681 3.484 377 2HB HIS 78 2HB HIS 78 8.328 8.257 5.000 378 HD1 HIS 78 HD1 HIS 78 11.680 8.029 3.278 379 HD2 HIS 78 HD2 HIS 78 10.058 7.814 7.096 380 HE1 HIS 78 HE1 HIS 78 13.641 8.055 4.847 381 HE2 HIS 78 HE2 HIS 78 12.639 7.736 7.134 Start of MODEL 6 1 H THR 23 H THR 23 -9.632 11.308 15.465 2 HA THR 23 HA THR 23 -6.829 11.372 14.592 3 HB THR 23 HB THR 23 -7.895 9.387 16.558 4 HG1 THR 23 HG1 THR 23 -7.954 12.110 16.811 5 1HG2 THR 23 1HG2 THR 23 -5.287 10.907 16.410 6 H SER 24 H SER 24 -9.377 10.513 13.135 7 HA SER 24 HA SER 24 -9.726 7.891 12.697 8 1HB SER 24 1HB SER 24 -9.290 9.773 10.372 9 2HB SER 24 2HB SER 24 -10.375 8.387 10.460 10 HG SER 24 HG SER 24 -11.738 9.979 10.868 11 H SER 25 H SER 25 -8.772 6.256 11.474 12 HA SER 25 HA SER 25 -5.996 6.042 11.696 13 1HB SER 25 1HB SER 25 -7.646 4.422 9.772 14 2HB SER 25 2HB SER 25 -6.249 3.917 10.723 15 HG SER 25 HG SER 25 -7.520 3.476 12.329 16 H LEU 26 H LEU 26 -7.676 7.935 9.619 17 HA LEU 26 HA LEU 26 -6.677 7.670 7.109 18 1HB LEU 26 1HB LEU 26 -7.444 10.007 8.770 19 2HB LEU 26 2HB LEU 26 -6.538 10.347 7.309 20 HG LEU 26 HG LEU 26 -8.982 10.522 6.998 21 1HD1 LEU 26 1HD1 LEU 26 -7.515 10.002 5.114 22 1HD2 LEU 26 1HD2 LEU 26 -10.222 8.328 6.850 23 H GLU 27 H GLU 27 -4.875 8.278 9.915 24 HA GLU 27 HA GLU 27 -2.731 9.790 9.126 25 1HB GLU 27 1HB GLU 27 -1.391 8.192 10.646 26 2HB GLU 27 2HB GLU 27 -2.747 9.053 11.367 27 1HG GLU 27 1HG GLU 27 -4.105 7.150 11.359 28 2HG GLU 27 2HG GLU 27 -3.050 6.296 10.236 29 H THR 28 H THR 28 -3.628 6.595 8.185 30 HA THR 28 HA THR 28 -1.822 6.554 5.995 31 HB THR 28 HB THR 28 -1.349 4.200 7.716 32 HG1 THR 28 HG1 THR 28 -0.349 6.809 8.326 33 1HG2 THR 28 1HG2 THR 28 0.164 5.913 5.800 34 H ILE 29 H ILE 29 -4.128 5.051 8.046 35 HA ILE 29 HA ILE 29 -4.834 2.867 6.414 36 HB ILE 29 HB ILE 29 -6.293 4.280 8.604 37 2HG1 ILE 29 2HG1 ILE 29 -4.266 2.108 8.447 38 1HG2 ILE 29 1HG2 ILE 29 -6.787 1.479 7.607 39 1HD1 ILE 29 1HD1 ILE 29 -3.878 3.179 10.847 40 H GLU 30 H GLU 30 -5.757 3.037 4.584 41 HA GLU 30 HA GLU 30 -8.249 4.360 4.250 42 1HB GLU 30 1HB GLU 30 -5.812 5.319 2.748 43 2HB GLU 30 2HB GLU 30 -7.465 5.707 2.282 44 1HG GLU 30 1HG GLU 30 -7.825 6.801 4.430 45 2HG GLU 30 2HG GLU 30 -6.174 6.405 4.921 46 H GLY 31 H GLY 31 -8.956 2.359 3.868 47 1HA GLY 31 1HA GLY 31 -9.609 0.770 2.259 48 2HA GLY 31 2HA GLY 31 -8.153 1.141 1.331 49 H VAL 32 H VAL 32 -7.583 0.983 4.639 50 HA VAL 32 HA VAL 32 -6.258 -1.586 4.324 51 HB VAL 32 HB VAL 32 -6.021 0.687 6.255 52 1HG1 VAL 32 1HG1 VAL 32 -6.188 -1.264 7.631 53 1HG2 VAL 32 1HG2 VAL 32 -4.695 0.659 4.173 54 H GLY 33 H GLY 33 -6.535 -3.188 5.739 55 1HA GLY 33 1HA GLY 33 -7.547 -4.060 7.811 56 2HA GLY 33 2HA GLY 33 -8.966 -3.096 7.420 57 HA PRO 34 HA PRO 34 -10.442 -6.241 4.680 58 1HB PRO 34 1HB PRO 34 -10.296 -5.441 2.086 59 2HB PRO 34 2HB PRO 34 -11.417 -4.744 3.251 60 1HG PRO 34 1HG PRO 34 -8.903 -3.627 2.171 61 2HG PRO 34 2HG PRO 34 -10.377 -2.801 2.692 62 1HD PRO 34 1HD PRO 34 -8.027 -3.020 4.162 63 2HD PRO 34 2HD PRO 34 -9.616 -2.571 4.809 64 H LYS 35 H LYS 35 -8.191 -5.324 2.143 65 HA LYS 35 HA LYS 35 -6.604 -7.728 2.660 66 1HB LYS 35 1HB LYS 35 -7.700 -6.983 -0.048 67 2HB LYS 35 2HB LYS 35 -6.676 -8.358 0.316 68 1HG LYS 35 1HG LYS 35 -9.427 -7.961 1.458 69 2HG LYS 35 2HG LYS 35 -9.070 -8.916 0.018 70 1HD LYS 35 1HD LYS 35 -8.094 -9.392 2.818 71 2HD LYS 35 2HD LYS 35 -9.203 -10.404 1.889 72 1HE LYS 35 1HE LYS 35 -6.251 -10.060 1.605 73 2HE LYS 35 2HE LYS 35 -7.199 -11.542 1.664 74 1HZ LYS 35 1HZ LYS 35 -7.083 -9.633 -0.602 75 2HZ LYS 35 2HZ LYS 35 -8.050 -11.012 -0.551 76 3HZ LYS 35 3HZ LYS 35 -6.371 -11.160 -0.546 77 H ARG 36 H ARG 36 -6.756 -4.482 1.901 78 HA ARG 36 HA ARG 36 -4.826 -3.926 0.089 79 1HB ARG 36 1HB ARG 36 -5.546 -1.947 0.779 80 2HB ARG 36 2HB ARG 36 -6.025 -2.586 2.339 81 1HG ARG 36 1HG ARG 36 -4.133 -1.905 3.359 82 2HG ARG 36 2HG ARG 36 -3.136 -2.136 1.917 83 1HD ARG 36 1HD ARG 36 -4.123 -0.189 0.911 84 2HD ARG 36 2HD ARG 36 -5.164 0.054 2.301 85 HE ARG 36 HE ARG 36 -2.340 0.058 2.932 86 1HH1 ARG 36 1HH1 ARG 36 -5.055 2.020 1.881 87 1HH2 ARG 36 1HH2 ARG 36 -1.505 2.014 3.837 88 H ARG 37 H ARG 37 -4.147 -4.214 3.574 89 HA ARG 37 HA ARG 37 -1.381 -4.023 3.366 90 1HB ARG 37 1HB ARG 37 -3.102 -5.472 5.375 91 2HB ARG 37 2HB ARG 37 -1.368 -5.280 5.556 92 1HG ARG 37 1HG ARG 37 -3.133 -2.902 5.162 93 2HG ARG 37 2HG ARG 37 -2.927 -3.634 6.757 94 1HD ARG 37 1HD ARG 37 -0.637 -2.795 5.008 95 2HD ARG 37 2HD ARG 37 -1.362 -1.731 6.212 96 HE ARG 37 HE ARG 37 -0.217 -4.345 6.953 97 1HH1 ARG 37 1HH1 ARG 37 -0.430 -0.882 7.332 98 1HH2 ARG 37 1HH2 ARG 37 1.124 -4.317 8.800 99 H GLN 38 H GLN 38 -3.506 -6.794 3.137 100 HA GLN 38 HA GLN 38 -1.423 -8.717 3.005 101 1HB GLN 38 1HB GLN 38 -4.338 -8.715 2.826 102 2HB GLN 38 2HB GLN 38 -3.576 -9.915 1.790 103 1HG GLN 38 1HG GLN 38 -2.361 -10.812 3.687 104 2HG GLN 38 2HG GLN 38 -3.077 -9.591 4.733 105 1HE2 GLN 38 1HE2 GLN 38 -4.041 -11.096 6.071 106 H MET 39 H MET 39 -3.261 -6.966 0.549 107 HA MET 39 HA MET 39 -2.361 -8.501 -1.622 108 1HB MET 39 1HB MET 39 -3.289 -5.625 -1.506 109 2HB MET 39 2HB MET 39 -2.988 -6.517 -2.997 110 1HG MET 39 1HG MET 39 -4.646 -8.218 -2.126 111 2HG MET 39 2HG MET 39 -5.093 -7.012 -0.929 112 1HE MET 39 1HE MET 39 -5.781 -6.783 -5.467 113 2HE MET 39 2HE MET 39 -5.058 -8.125 -4.578 114 3HE MET 39 3HE MET 39 -4.148 -6.633 -4.815 115 H LEU 40 H LEU 40 -1.306 -5.477 -0.168 116 HA LEU 40 HA LEU 40 0.880 -4.880 -1.685 117 1HB LEU 40 1HB LEU 40 0.593 -4.718 1.297 118 2HB LEU 40 2HB LEU 40 1.801 -3.867 0.345 119 HG LEU 40 HG LEU 40 -1.169 -3.530 0.011 120 1HD1 LEU 40 1HD1 LEU 40 -0.513 -2.727 2.151 121 1HD2 LEU 40 1HD2 LEU 40 -0.644 -1.763 -1.456 122 H LEU 41 H LEU 41 0.923 -6.794 1.302 123 HA LEU 41 HA LEU 41 3.557 -7.651 1.125 124 1HB LEU 41 1HB LEU 41 1.240 -8.283 2.705 125 2HB LEU 41 2HB LEU 41 2.113 -9.750 2.305 126 HG LEU 41 HG LEU 41 2.751 -8.582 4.477 127 1HD1 LEU 41 1HD1 LEU 41 4.849 -9.153 2.388 128 1HD2 LEU 41 1HD2 LEU 41 4.312 -6.791 2.639 129 H LYS 42 H LYS 42 0.614 -9.196 -0.068 130 HA LYS 42 HA LYS 42 1.964 -11.428 -1.180 131 1HB LYS 42 1HB LYS 42 -0.767 -10.239 -1.568 132 2HB LYS 42 2HB LYS 42 -0.220 -11.594 -2.545 133 1HG LYS 42 1HG LYS 42 -1.578 -12.043 -0.400 134 2HG LYS 42 2HG LYS 42 -0.172 -13.044 -0.765 135 1HD LYS 42 1HD LYS 42 1.182 -11.834 0.792 136 2HD LYS 42 2HD LYS 42 -0.076 -10.628 1.030 137 1HE LYS 42 1HE LYS 42 -0.091 -12.095 2.911 138 2HE LYS 42 2HE LYS 42 -1.538 -12.401 1.959 139 1HZ LYS 42 1HZ LYS 42 -0.638 -14.476 2.571 140 2HZ LYS 42 2HZ LYS 42 0.916 -14.036 2.082 141 3HZ LYS 42 3HZ LYS 42 -0.289 -14.277 0.930 142 H TYR 43 H TYR 43 1.564 -8.201 -2.143 143 HA TYR 43 HA TYR 43 2.035 -8.675 -4.955 144 1HB TYR 43 1HB TYR 43 1.046 -6.525 -3.343 145 2HB TYR 43 2HB TYR 43 2.395 -5.930 -4.293 146 HD1 TYR 43 HD1 TYR 43 2.263 -5.892 -6.737 147 HD2 TYR 43 HD2 TYR 43 -1.032 -7.178 -4.377 148 HE1 TYR 43 HE1 TYR 43 0.772 -5.620 -8.679 149 HE2 TYR 43 HE2 TYR 43 -2.528 -6.914 -6.307 150 HH TYR 43 HH TYR 43 -2.676 -5.803 -8.381 151 H MET 44 H MET 44 3.817 -7.763 -2.108 152 HA MET 44 HA MET 44 6.208 -7.150 -3.716 153 1HB MET 44 1HB MET 44 7.084 -6.192 -1.617 154 2HB MET 44 2HB MET 44 5.554 -5.466 -2.092 155 1HG MET 44 1HG MET 44 4.538 -7.293 -0.527 156 2HG MET 44 2HG MET 44 6.157 -7.318 0.160 157 1HE MET 44 1HE MET 44 3.406 -4.851 -1.075 158 2HE MET 44 2HE MET 44 4.869 -3.906 -1.343 159 3HE MET 44 3HE MET 44 3.714 -3.414 -0.106 160 H GLY 45 H GLY 45 5.088 -9.173 -1.068 161 1HA GLY 45 1HA GLY 45 5.813 -11.328 -0.577 162 2HA GLY 45 2HA GLY 45 7.207 -11.077 -1.624 163 H GLY 46 H GLY 46 6.068 -8.970 0.945 164 1HA GLY 46 1HA GLY 46 7.309 -9.576 3.179 165 2HA GLY 46 2HA GLY 46 8.698 -9.140 2.191 166 H LEU 47 H LEU 47 6.476 -7.967 4.356 167 HA LEU 47 HA LEU 47 5.658 -5.513 3.542 168 1HB LEU 47 1HB LEU 47 5.911 -6.765 5.992 169 2HB LEU 47 2HB LEU 47 6.926 -5.349 6.170 170 HG LEU 47 HG LEU 47 3.972 -5.514 5.782 171 1HD1 LEU 47 1HD1 LEU 47 4.879 -5.273 8.021 172 1HD2 LEU 47 1HD2 LEU 47 4.523 -4.108 3.963 173 H GLN 48 H GLN 48 8.878 -6.469 4.489 174 HA GLN 48 HA GLN 48 10.219 -4.091 4.640 175 1HB GLN 48 1HB GLN 48 11.301 -6.244 4.984 176 2HB GLN 48 2HB GLN 48 11.089 -6.643 3.288 177 1HG GLN 48 1HG GLN 48 13.379 -5.979 3.802 178 2HG GLN 48 2HG GLN 48 12.616 -4.893 2.642 179 1HE2 GLN 48 1HE2 GLN 48 14.876 -4.531 4.487 180 H GLY 49 H GLY 49 9.544 -5.999 1.755 181 1HA GLY 49 1HA GLY 49 10.708 -4.411 -0.176 182 2HA GLY 49 2HA GLY 49 9.250 -5.366 -0.440 183 H LEU 50 H LEU 50 7.778 -3.951 1.616 184 HA LEU 50 HA LEU 50 6.917 -1.717 0.011 185 1HB LEU 50 1HB LEU 50 5.196 -3.046 0.933 186 2HB LEU 50 2HB LEU 50 5.919 -3.017 2.526 187 HG LEU 50 HG LEU 50 5.329 -0.725 2.816 188 1HD1 LEU 50 1HD1 LEU 50 5.686 0.053 0.547 189 1HD2 LEU 50 1HD2 LEU 50 2.864 -0.886 2.681 190 H ARG 51 H ARG 51 8.310 -2.340 3.166 191 HA ARG 51 HA ARG 51 8.353 0.221 4.226 192 1HB ARG 51 1HB ARG 51 10.345 -2.030 4.462 193 2HB ARG 51 2HB ARG 51 10.370 -0.588 5.480 194 1HG ARG 51 1HG ARG 51 7.766 -1.836 5.405 195 2HG ARG 51 2HG ARG 51 9.010 -2.936 5.991 196 1HD ARG 51 1HD ARG 51 9.639 -1.437 7.726 197 2HD ARG 51 2HD ARG 51 8.661 -0.140 7.047 198 HE ARG 51 HE ARG 51 6.789 -1.061 8.020 199 1HH1 ARG 51 1HH1 ARG 51 9.485 -3.273 8.272 200 1HH2 ARG 51 1HH2 ARG 51 5.715 -2.469 9.485 201 H ASN 52 H ASN 52 10.253 -1.316 1.808 202 HA ASN 52 HA ASN 52 12.109 0.929 1.624 203 1HB ASN 52 1HB ASN 52 11.965 -1.720 0.178 204 2HB ASN 52 2HB ASN 52 13.098 -0.451 -0.267 205 1HD2 ASN 52 1HD2 ASN 52 12.035 -1.482 2.941 206 H ALA 53 H ALA 53 9.475 -0.604 -0.084 207 HA ALA 53 HA ALA 53 9.635 0.956 -2.451 208 1HB ALA 53 1HB ALA 53 8.323 -0.809 -2.937 209 2HB ALA 53 2HB ALA 53 7.023 0.224 -2.335 210 3HB ALA 53 3HB ALA 53 7.761 -0.975 -1.276 211 H SER 54 H SER 54 8.916 2.953 -2.863 212 HA SER 54 HA SER 54 7.397 4.302 -0.766 213 1HB SER 54 1HB SER 54 9.465 5.448 -1.250 214 2HB SER 54 2HB SER 54 9.166 5.367 -2.981 215 HG SER 54 HG SER 54 8.527 7.317 -1.370 216 H VAL 55 H VAL 55 6.261 6.288 -2.158 217 HA VAL 55 HA VAL 55 3.917 5.265 -3.118 218 HB VAL 55 HB VAL 55 5.401 7.806 -3.647 219 1HG1 VAL 55 1HG1 VAL 55 4.423 7.368 -5.769 220 1HG2 VAL 55 1HG2 VAL 55 2.621 7.397 -2.581 221 H GLU 56 H GLU 56 6.910 5.889 -4.763 222 HA GLU 56 HA GLU 56 6.271 5.546 -7.402 223 1HB GLU 56 1HB GLU 56 8.651 4.679 -7.567 224 2HB GLU 56 2HB GLU 56 8.446 6.252 -6.825 225 1HG GLU 56 1HG GLU 56 8.412 4.910 -4.605 226 2HG GLU 56 2HG GLU 56 9.175 3.647 -5.568 227 H GLU 57 H GLU 57 7.134 3.023 -5.042 228 HA GLU 57 HA GLU 57 6.681 0.936 -6.993 229 1HB GLU 57 1HB GLU 57 7.987 1.217 -4.414 230 2HB GLU 57 2HB GLU 57 6.950 -0.196 -4.473 231 1HG GLU 57 1HG GLU 57 9.462 0.373 -5.892 232 2HG GLU 57 2HG GLU 57 8.845 -1.139 -5.240 233 H ILE 58 H ILE 58 5.320 2.081 -3.972 234 HA ILE 58 HA ILE 58 3.353 0.177 -3.611 235 HB ILE 58 HB ILE 58 3.455 3.093 -2.866 236 2HG1 ILE 58 2HG1 ILE 58 5.111 1.279 -1.976 237 1HG2 ILE 58 1HG2 ILE 58 1.574 2.835 -1.533 238 1HD1 ILE 58 1HD1 ILE 58 4.736 3.554 -0.978 239 H ALA 59 H ALA 59 3.479 2.980 -5.672 240 HA ALA 59 HA ALA 59 0.696 3.036 -6.278 241 1HB ALA 59 1HB ALA 59 1.341 4.596 -8.049 242 2HB ALA 59 2HB ALA 59 3.039 4.216 -7.764 243 3HB ALA 59 3HB ALA 59 2.088 5.011 -6.507 244 H LYS 60 H LYS 60 2.004 0.412 -6.588 245 HA LYS 60 HA LYS 60 1.317 -0.025 -9.414 246 1HB LYS 60 1HB LYS 60 3.681 -1.005 -7.870 247 2HB LYS 60 2HB LYS 60 3.038 -1.976 -9.179 248 1HG LYS 60 1HG LYS 60 4.842 -0.706 -10.032 249 2HG LYS 60 2HG LYS 60 3.353 -0.021 -10.686 250 1HD LYS 60 1HD LYS 60 3.458 1.833 -9.236 251 2HD LYS 60 2HD LYS 60 4.680 1.069 -8.218 252 1HE LYS 60 1HE LYS 60 5.280 1.564 -11.097 253 2HE LYS 60 2HE LYS 60 5.352 2.912 -9.962 254 1HZ LYS 60 1HZ LYS 60 7.448 1.495 -10.424 255 2HZ LYS 60 2HZ LYS 60 6.763 0.406 -9.332 256 3HZ LYS 60 3HZ LYS 60 7.111 1.983 -8.846 257 H VAL 61 H VAL 61 -0.312 -0.199 -7.098 258 HA VAL 61 HA VAL 61 -0.929 -3.066 -7.197 259 HB VAL 61 HB VAL 61 -1.725 -2.159 -4.640 260 1HG1 VAL 61 1HG1 VAL 61 0.607 -3.921 -5.382 261 1HG2 VAL 61 1HG2 VAL 61 -0.172 -0.381 -4.633 262 HA PRO 62 HA PRO 62 -5.245 -2.468 -7.764 263 1HB PRO 62 1HB PRO 62 -6.405 -2.693 -5.221 264 2HB PRO 62 2HB PRO 62 -6.120 -4.014 -6.359 265 1HG PRO 62 1HG PRO 62 -4.448 -3.104 -4.055 266 2HG PRO 62 2HG PRO 62 -4.788 -4.754 -4.609 267 1HD PRO 62 1HD PRO 62 -2.464 -3.651 -5.132 268 2HD PRO 62 2HD PRO 62 -3.284 -4.589 -6.396 269 H GLY 63 H GLY 63 -5.541 -0.380 -8.351 270 1HA GLY 63 1HA GLY 63 -6.278 1.794 -8.194 271 2HA GLY 63 2HA GLY 63 -6.859 1.386 -6.584 272 H ILE 64 H ILE 64 -4.009 0.509 -6.011 273 HA ILE 64 HA ILE 64 -3.173 2.829 -4.694 274 HB ILE 64 HB ILE 64 -1.400 0.506 -5.363 275 2HG1 ILE 64 2HG1 ILE 64 -3.338 -0.617 -4.660 276 1HG2 ILE 64 1HG2 ILE 64 -1.619 2.102 -2.833 277 1HD1 ILE 64 1HD1 ILE 64 -1.212 -0.693 -2.930 278 H SER 65 H SER 65 -3.064 4.413 -6.274 279 HA SER 65 HA SER 65 -0.807 4.211 -8.145 280 1HB SER 65 1HB SER 65 -3.551 4.991 -8.497 281 2HB SER 65 2HB SER 65 -2.489 6.330 -8.923 282 HG SER 65 HG SER 65 -1.429 4.157 -9.980 283 H GLN 66 H GLN 66 -2.737 6.620 -6.384 284 HA GLN 66 HA GLN 66 -0.227 7.977 -5.663 285 1HB GLN 66 1HB GLN 66 -1.415 9.127 -7.567 286 2HB GLN 66 2HB GLN 66 -2.756 9.421 -6.467 287 1HG GLN 66 1HG GLN 66 -1.319 11.374 -6.672 288 2HG GLN 66 2HG GLN 66 -1.316 10.739 -5.028 289 1HE2 GLN 66 1HE2 GLN 66 0.622 11.704 -4.539 290 H GLY 67 H GLY 67 -3.748 8.014 -5.084 291 1HA GLY 67 1HA GLY 67 -3.620 9.078 -2.497 292 2HA GLY 67 2HA GLY 67 -4.934 8.085 -3.113 293 H LEU 68 H LEU 68 -4.217 5.698 -3.368 294 HA LEU 68 HA LEU 68 -3.751 4.693 -0.788 295 1HB LEU 68 1HB LEU 68 -4.696 3.667 -3.140 296 2HB LEU 68 2HB LEU 68 -3.125 2.901 -3.032 297 HG LEU 68 HG LEU 68 -4.649 1.399 -2.047 298 1HD1 LEU 68 1HD1 LEU 68 -3.112 2.950 0.004 299 1HD2 LEU 68 1HD2 LEU 68 -5.643 3.622 -0.274 300 H ALA 69 H ALA 69 -1.681 4.965 -3.625 301 HA ALA 69 HA ALA 69 0.549 3.659 -2.792 302 1HB ALA 69 1HB ALA 69 0.426 4.665 -4.993 303 2HB ALA 69 2HB ALA 69 1.877 5.223 -4.160 304 3HB ALA 69 3HB ALA 69 0.469 6.281 -4.283 305 H GLU 70 H GLU 70 -0.169 7.089 -2.182 306 HA GLU 70 HA GLU 70 2.000 7.505 -0.441 307 1HB GLU 70 1HB GLU 70 -0.691 8.892 -0.526 308 2HB GLU 70 2HB GLU 70 0.715 9.477 0.353 309 1HG GLU 70 1HG GLU 70 1.825 9.321 -2.027 310 2HG GLU 70 2HG GLU 70 0.156 9.457 -2.553 311 H LYS 71 H LYS 71 -1.400 6.735 0.132 312 HA LYS 71 HA LYS 71 -1.532 6.704 2.849 313 1HB LYS 71 1HB LYS 71 -2.788 4.873 0.807 314 2HB LYS 71 2HB LYS 71 -3.221 4.840 2.501 315 1HG LYS 71 1HG LYS 71 -4.324 6.428 0.492 316 2HG LYS 71 2HG LYS 71 -4.651 6.505 2.218 317 1HD LYS 71 1HD LYS 71 -3.223 8.298 2.536 318 2HD LYS 71 2HD LYS 71 -2.274 7.938 1.100 319 1HE LYS 71 1HE LYS 71 -3.643 9.937 0.802 320 2HE LYS 71 2HE LYS 71 -4.099 8.659 -0.322 321 1HZ LYS 71 1HZ LYS 71 -6.064 9.633 0.567 322 2HZ LYS 71 2HZ LYS 71 -5.526 9.438 2.155 323 3HZ LYS 71 3HZ LYS 71 -5.918 8.088 1.230 324 H ILE 72 H ILE 72 -0.213 4.259 0.707 325 HA ILE 72 HA ILE 72 0.395 2.444 2.882 326 HB ILE 72 HB ILE 72 1.367 2.339 0.035 327 2HG1 ILE 72 2HG1 ILE 72 -1.059 2.398 0.076 328 1HG2 ILE 72 1HG2 ILE 72 0.991 0.054 1.937 329 1HD1 ILE 72 1HD1 ILE 72 -0.822 0.948 -1.579 330 H PHE 73 H PHE 73 2.123 4.651 0.748 331 HA PHE 73 HA PHE 73 4.730 4.103 1.424 332 1HB PHE 73 1HB PHE 73 4.414 5.738 -0.232 333 2HB PHE 73 2HB PHE 73 3.297 6.665 0.762 334 HD1 PHE 73 HD1 PHE 73 4.191 7.980 2.688 335 HD2 PHE 73 HD2 PHE 73 6.715 6.193 -0.230 336 HE1 PHE 73 HE1 PHE 73 6.025 9.475 3.367 337 HE2 PHE 73 HE2 PHE 73 8.555 7.679 0.441 338 HZ PHE 73 HZ PHE 73 8.210 9.325 2.246 339 H TRP 74 H TRP 74 2.536 6.351 3.025 340 HA TRP 74 HA TRP 74 4.206 7.012 5.179 341 1HB TRP 74 1HB TRP 74 1.214 7.113 4.829 342 2HB TRP 74 2HB TRP 74 2.033 7.745 6.252 343 HD1 TRP 74 HD1 TRP 74 1.445 8.479 2.566 344 HE1 TRP 74 HE1 TRP 74 2.231 10.875 2.058 345 HE3 TRP 74 HE3 TRP 74 3.696 9.529 7.016 346 HZ2 TRP 74 HZ2 TRP 74 3.605 12.951 3.393 347 HZ3 TRP 74 HZ3 TRP 74 4.712 11.749 7.329 348 HH2 TRP 74 HH2 TRP 74 4.671 13.421 5.557 349 H SER 75 H SER 75 2.607 4.128 4.479 350 HA SER 75 HA SER 75 1.953 3.301 7.120 351 1HB SER 75 1HB SER 75 2.528 1.572 4.703 352 2HB SER 75 2HB SER 75 1.689 1.071 6.169 353 HG SER 75 HG SER 75 0.693 3.278 4.740 354 H LEU 76 H LEU 76 4.865 3.107 5.155 355 HA LEU 76 HA LEU 76 6.310 2.266 7.526 356 1HB LEU 76 1HB LEU 76 7.718 0.869 5.781 357 2HB LEU 76 2HB LEU 76 6.367 0.217 6.665 358 HG LEU 76 HG LEU 76 6.435 -0.414 4.265 359 1HD1 LEU 76 1HD1 LEU 76 3.930 0.663 4.028 360 1HD2 LEU 76 1HD2 LEU 76 7.201 1.897 3.544 361 H LYS 77 H LYS 77 6.471 3.559 4.264 362 HA LYS 77 HA LYS 77 9.166 4.257 4.211 363 1HB LYS 77 1HB LYS 77 6.784 5.495 2.849 364 2HB LYS 77 2HB LYS 77 8.448 5.919 2.483 365 1HG LYS 77 1HG LYS 77 7.180 3.211 2.142 366 2HG LYS 77 2HG LYS 77 7.603 4.352 0.867 367 1HD LYS 77 1HD LYS 77 9.627 3.240 2.787 368 2HD LYS 77 2HD LYS 77 9.238 2.457 1.256 369 1HE LYS 77 1HE LYS 77 10.002 4.320 0.006 370 2HE LYS 77 2HE LYS 77 10.102 5.333 1.443 371 1HZ LYS 77 1HZ LYS 77 11.829 3.014 0.780 372 2HZ LYS 77 2HZ LYS 77 11.877 3.840 2.249 373 3HZ LYS 77 3HZ LYS 77 12.283 4.639 0.821 374 H HIS 78 H HIS 78 6.906 5.355 6.340 375 HA HIS 78 HA HIS 78 8.521 7.742 6.856 376 1HB HIS 78 1HB HIS 78 6.526 8.579 5.787 377 2HB HIS 78 2HB HIS 78 5.507 7.612 6.850 378 HD1 HIS 78 HD1 HIS 78 5.433 8.357 9.386 379 HD2 HIS 78 HD2 HIS 78 7.277 11.034 6.805 380 HE1 HIS 78 HE1 HIS 78 5.587 10.516 10.658 381 HE2 HIS 78 HE2 HIS 78 6.681 12.135 9.068 Start of MODEL 7 1 H THR 23 H THR 23 -16.065 -4.209 0.868 2 HA THR 23 HA THR 23 -15.176 -5.779 2.257 3 HB THR 23 HB THR 23 -14.705 -7.574 -0.109 4 HG1 THR 23 HG1 THR 23 -17.017 -6.395 0.471 5 1HG2 THR 23 1HG2 THR 23 -13.992 -8.359 2.097 6 H SER 24 H SER 24 -13.476 -3.929 0.505 7 HA SER 24 HA SER 24 -10.923 -5.365 0.672 8 1HB SER 24 1HB SER 24 -10.881 -2.696 -0.507 9 2HB SER 24 2HB SER 24 -10.251 -4.212 -1.145 10 HG SER 24 HG SER 24 -12.724 -4.612 -1.391 11 H SER 25 H SER 25 -9.043 -4.019 1.381 12 HA SER 25 HA SER 25 -9.862 -2.207 3.547 13 1HB SER 25 1HB SER 25 -7.432 -3.046 4.369 14 2HB SER 25 2HB SER 25 -8.942 -3.830 4.832 15 HG SER 25 HG SER 25 -8.649 -5.296 3.126 16 H LEU 26 H LEU 26 -9.388 -1.327 0.935 17 HA LEU 26 HA LEU 26 -6.710 -0.194 0.950 18 1HB LEU 26 1HB LEU 26 -8.946 -0.193 -1.055 19 2HB LEU 26 2HB LEU 26 -7.537 0.834 -1.244 20 HG LEU 26 HG LEU 26 -7.374 -2.165 -0.973 21 1HD1 LEU 26 1HD1 LEU 26 -6.989 -2.174 -3.400 22 1HD2 LEU 26 1HD2 LEU 26 -5.126 -1.830 -1.893 23 H GLU 27 H GLU 27 -9.218 1.700 -0.427 24 HA GLU 27 HA GLU 27 -8.540 4.056 0.807 25 1HB GLU 27 1HB GLU 27 -10.631 4.941 0.033 26 2HB GLU 27 2HB GLU 27 -10.051 3.795 -1.168 27 1HG GLU 27 1HG GLU 27 -11.557 2.103 0.090 28 2HG GLU 27 2HG GLU 27 -12.326 3.546 0.744 29 H THR 28 H THR 28 -9.911 1.389 2.223 30 HA THR 28 HA THR 28 -11.343 2.832 4.306 31 HB THR 28 HB THR 28 -10.928 -0.152 4.112 32 HG1 THR 28 HG1 THR 28 -12.392 1.579 2.548 33 1HG2 THR 28 1HG2 THR 28 -11.864 0.858 6.222 34 H ILE 29 H ILE 29 -8.413 2.887 3.828 35 HA ILE 29 HA ILE 29 -6.899 1.527 5.621 36 HB ILE 29 HB ILE 29 -6.681 4.435 4.900 37 2HG1 ILE 29 2HG1 ILE 29 -6.727 3.033 2.947 38 1HG2 ILE 29 1HG2 ILE 29 -5.344 3.684 6.905 39 1HD1 ILE 29 1HD1 ILE 29 -3.849 3.628 3.555 40 H GLU 30 H GLU 30 -8.296 1.182 7.410 41 HA GLU 30 HA GLU 30 -7.866 3.109 9.524 42 1HB GLU 30 1HB GLU 30 -10.585 2.031 8.757 43 2HB GLU 30 2HB GLU 30 -10.247 2.872 10.262 44 1HG GLU 30 1HG GLU 30 -9.726 4.115 7.581 45 2HG GLU 30 2HG GLU 30 -11.287 4.227 8.399 46 H GLY 31 H GLY 31 -6.697 0.728 8.763 47 1HA GLY 31 1HA GLY 31 -5.934 -0.792 10.617 48 2HA GLY 31 2HA GLY 31 -7.632 -1.238 10.756 49 H VAL 32 H VAL 32 -5.605 -0.639 7.921 50 HA VAL 32 HA VAL 32 -6.650 -2.830 6.539 51 HB VAL 32 HB VAL 32 -4.901 -2.397 4.902 52 1HG1 VAL 32 1HG1 VAL 32 -5.701 -0.296 4.205 53 1HG2 VAL 32 1HG2 VAL 32 -3.731 -0.822 7.115 54 H GLY 33 H GLY 33 -5.484 -4.596 5.765 55 1HA GLY 33 1HA GLY 33 -3.118 -5.682 6.445 56 2HA GLY 33 2HA GLY 33 -4.097 -5.970 7.877 57 HA PRO 34 HA PRO 34 -6.616 -9.172 6.122 58 1HB PRO 34 1HB PRO 34 -8.848 -8.040 4.922 59 2HB PRO 34 2HB PRO 34 -8.719 -8.430 6.642 60 1HG PRO 34 1HG PRO 34 -8.221 -5.818 5.246 61 2HG PRO 34 2HG PRO 34 -9.129 -6.125 6.746 62 1HD PRO 34 1HD PRO 34 -6.679 -5.196 6.908 63 2HD PRO 34 2HD PRO 34 -7.154 -6.534 7.974 64 H LYS 35 H LYS 35 -6.938 -6.405 3.884 65 HA LYS 35 HA LYS 35 -6.020 -8.206 1.755 66 1HB LYS 35 1HB LYS 35 -8.201 -6.136 1.599 67 2HB LYS 35 2HB LYS 35 -7.515 -6.952 0.199 68 1HG LYS 35 1HG LYS 35 -8.221 -9.107 1.136 69 2HG LYS 35 2HG LYS 35 -8.955 -8.262 2.497 70 1HD LYS 35 1HD LYS 35 -10.444 -7.083 0.932 71 2HD LYS 35 2HD LYS 35 -9.727 -7.984 -0.407 72 1HE LYS 35 1HE LYS 35 -10.462 -10.076 0.609 73 2HE LYS 35 2HE LYS 35 -11.178 -9.175 1.944 74 1HZ LYS 35 1HZ LYS 35 -12.574 -8.038 0.250 75 2HZ LYS 35 2HZ LYS 35 -12.892 -9.686 0.417 76 3HZ LYS 35 3HZ LYS 35 -11.997 -9.128 -0.900 77 H ARG 36 H ARG 36 -6.328 -4.730 2.630 78 HA ARG 36 HA ARG 36 -4.870 -3.637 0.604 79 1HB ARG 36 1HB ARG 36 -5.392 -1.885 1.927 80 2HB ARG 36 2HB ARG 36 -5.444 -2.894 3.357 81 1HG ARG 36 1HG ARG 36 -3.400 -2.292 4.001 82 2HG ARG 36 2HG ARG 36 -2.744 -2.432 2.377 83 1HD ARG 36 1HD ARG 36 -3.807 -0.286 1.818 84 2HD ARG 36 2HD ARG 36 -4.281 -0.109 3.499 85 HE ARG 36 HE ARG 36 -1.448 -0.428 2.814 86 1HH1 ARG 36 1HH1 ARG 36 -4.042 1.511 4.130 87 1HH2 ARG 36 1HH2 ARG 36 -0.045 1.099 3.784 88 H ARG 37 H ARG 37 -3.503 -4.589 3.723 89 HA ARG 37 HA ARG 37 -0.829 -4.323 2.939 90 1HB ARG 37 1HB ARG 37 -2.037 -6.061 5.093 91 2HB ARG 37 2HB ARG 37 -0.334 -5.653 4.960 92 1HG ARG 37 1HG ARG 37 -2.467 -3.539 5.214 93 2HG ARG 37 2HG ARG 37 -1.727 -4.334 6.617 94 1HD ARG 37 1HD ARG 37 -0.174 -2.949 4.452 95 2HD ARG 37 2HD ARG 37 -0.646 -2.181 5.968 96 HE ARG 37 HE ARG 37 1.082 -4.576 5.862 97 1HH1 ARG 37 1HH1 ARG 37 0.299 -1.420 7.100 98 1HH2 ARG 37 1HH2 ARG 37 2.861 -4.518 7.292 99 H GLN 38 H GLN 38 -3.110 -6.952 2.801 100 HA GLN 38 HA GLN 38 -1.437 -9.048 2.136 101 1HB GLN 38 1HB GLN 38 -4.194 -8.557 2.291 102 2HB GLN 38 2HB GLN 38 -3.915 -9.111 0.646 103 1HG GLN 38 1HG GLN 38 -2.777 -11.086 1.540 104 2HG GLN 38 2HG GLN 38 -3.139 -10.540 3.173 105 1HE2 GLN 38 1HE2 GLN 38 -4.324 -12.436 3.561 106 H MET 39 H MET 39 -2.961 -6.572 0.106 107 HA MET 39 HA MET 39 -2.184 -7.595 -2.371 108 1HB MET 39 1HB MET 39 -2.455 -4.676 -1.615 109 2HB MET 39 2HB MET 39 -2.583 -5.359 -3.233 110 1HG MET 39 1HG MET 39 -4.661 -6.242 -2.844 111 2HG MET 39 2HG MET 39 -4.424 -6.314 -1.102 112 1HE MET 39 1HE MET 39 -7.476 -3.917 -1.432 113 2HE MET 39 2HE MET 39 -6.756 -5.115 -0.357 114 3HE MET 39 3HE MET 39 -7.073 -5.519 -2.043 115 H LEU 40 H LEU 40 -0.657 -4.930 -0.539 116 HA LEU 40 HA LEU 40 1.628 -4.714 -2.081 117 1HB LEU 40 1HB LEU 40 1.294 -4.341 0.890 118 2HB LEU 40 2HB LEU 40 2.710 -3.836 -0.014 119 HG LEU 40 HG LEU 40 1.320 -1.932 0.339 120 1HD1 LEU 40 1HD1 LEU 40 1.149 -2.946 -2.484 121 1HD2 LEU 40 1HD2 LEU 40 -0.980 -1.787 -0.341 122 H LEU 41 H LEU 41 1.254 -6.541 0.934 123 HA LEU 41 HA LEU 41 3.738 -7.775 0.944 124 1HB LEU 41 1HB LEU 41 1.111 -8.321 2.218 125 2HB LEU 41 2HB LEU 41 2.319 -9.591 2.255 126 HG LEU 41 HG LEU 41 2.148 -7.839 4.204 127 1HD1 LEU 41 1HD1 LEU 41 4.582 -8.124 4.576 128 1HD2 LEU 41 1HD2 LEU 41 4.015 -6.440 2.293 129 H LYS 42 H LYS 42 0.802 -8.663 -0.750 130 HA LYS 42 HA LYS 42 1.883 -11.233 -1.543 131 1HB LYS 42 1HB LYS 42 -0.691 -9.773 -2.066 132 2HB LYS 42 2HB LYS 42 -0.242 -11.159 -3.050 133 1HG LYS 42 1HG LYS 42 -1.735 -11.485 -0.951 134 2HG LYS 42 2HG LYS 42 -0.454 -12.646 -1.311 135 1HD LYS 42 1HD LYS 42 1.034 -11.332 0.222 136 2HD LYS 42 2HD LYS 42 -0.380 -10.394 0.688 137 1HE LYS 42 1HE LYS 42 0.044 -12.166 2.297 138 2HE LYS 42 2HE LYS 42 -1.479 -12.440 1.455 139 1HZ LYS 42 1HZ LYS 42 1.089 -13.742 0.729 140 2HZ LYS 42 2HZ LYS 42 -0.435 -14.086 0.090 141 3HZ LYS 42 3HZ LYS 42 -0.093 -14.452 1.705 142 H TYR 43 H TYR 43 1.837 -8.025 -2.565 143 HA TYR 43 HA TYR 43 2.419 -8.557 -5.340 144 1HB TYR 43 1HB TYR 43 1.878 -6.194 -3.660 145 2HB TYR 43 2HB TYR 43 2.979 -5.917 -5.005 146 HD1 TYR 43 HD1 TYR 43 1.931 -4.995 -6.840 147 HD2 TYR 43 HD2 TYR 43 -0.174 -7.861 -4.507 148 HE1 TYR 43 HE1 TYR 43 0.006 -4.812 -8.361 149 HE2 TYR 43 HE2 TYR 43 -2.101 -7.682 -6.017 150 HH TYR 43 HH TYR 43 -3.060 -6.264 -7.609 151 H MET 44 H MET 44 4.129 -7.940 -2.394 152 HA MET 44 HA MET 44 6.668 -7.907 -3.887 153 1HB MET 44 1HB MET 44 7.622 -6.692 -2.013 154 2HB MET 44 2HB MET 44 6.183 -5.860 -2.599 155 1HG MET 44 1HG MET 44 4.942 -7.184 -0.770 156 2HG MET 44 2HG MET 44 6.541 -7.451 -0.086 157 1HE MET 44 1HE MET 44 5.622 -4.184 -2.068 158 2HE MET 44 2HE MET 44 4.834 -3.230 -0.814 159 3HE MET 44 3HE MET 44 4.074 -4.708 -1.408 160 H GLY 45 H GLY 45 5.010 -9.163 -1.038 161 1HA GLY 45 1HA GLY 45 5.273 -11.305 -0.145 162 2HA GLY 45 2HA GLY 45 6.761 -11.482 -1.065 163 H GLY 46 H GLY 46 5.742 -8.929 1.193 164 1HA GLY 46 1HA GLY 46 6.862 -9.515 3.520 165 2HA GLY 46 2HA GLY 46 8.295 -9.212 2.545 166 H LEU 47 H LEU 47 6.151 -7.829 4.629 167 HA LEU 47 HA LEU 47 5.446 -5.371 3.727 168 1HB LEU 47 1HB LEU 47 4.964 -6.052 5.981 169 2HB LEU 47 2HB LEU 47 6.659 -6.078 6.391 170 HG LEU 47 HG LEU 47 6.790 -3.656 6.173 171 1HD1 LEU 47 1HD1 LEU 47 5.286 -3.005 4.545 172 1HD2 LEU 47 1HD2 LEU 47 6.237 -4.538 8.343 173 H GLN 48 H GLN 48 8.581 -6.325 4.968 174 HA GLN 48 HA GLN 48 9.986 -4.011 4.928 175 1HB GLN 48 1HB GLN 48 10.906 -6.283 5.436 176 2HB GLN 48 2HB GLN 48 10.976 -6.584 3.706 177 1HG GLN 48 1HG GLN 48 12.659 -5.024 3.373 178 2HG GLN 48 2HG GLN 48 12.374 -4.242 4.925 179 1HE2 GLN 48 1HE2 GLN 48 12.177 -6.685 6.412 180 H GLY 49 H GLY 49 9.459 -6.114 2.115 181 1HA GLY 49 1HA GLY 49 10.678 -4.537 0.182 182 2HA GLY 49 2HA GLY 49 9.319 -5.617 -0.128 183 H LEU 50 H LEU 50 7.580 -4.250 1.724 184 HA LEU 50 HA LEU 50 6.530 -2.297 -0.060 185 1HB LEU 50 1HB LEU 50 4.913 -3.501 1.158 186 2HB LEU 50 2HB LEU 50 5.763 -3.282 2.673 187 HG LEU 50 HG LEU 50 5.129 -0.979 2.763 188 1HD1 LEU 50 1HD1 LEU 50 3.633 -1.363 0.180 189 1HD2 LEU 50 1HD2 LEU 50 2.745 -1.215 3.030 190 H ARG 51 H ARG 51 7.840 -2.188 3.232 191 HA ARG 51 HA ARG 51 7.895 0.557 3.599 192 1HB ARG 51 1HB ARG 51 10.093 -1.322 4.465 193 2HB ARG 51 2HB ARG 51 9.636 0.195 5.224 194 1HG ARG 51 1HG ARG 51 7.312 -1.204 5.341 195 2HG ARG 51 2HG ARG 51 8.518 -2.476 5.544 196 1HD ARG 51 1HD ARG 51 9.602 -1.002 7.278 197 2HD ARG 51 2HD ARG 51 8.162 0.010 7.205 198 HE ARG 51 HE ARG 51 7.586 -2.762 7.680 199 1HH1 ARG 51 1HH1 ARG 51 8.531 0.235 9.193 200 1HH2 ARG 51 1HH2 ARG 51 6.731 -3.332 9.727 201 H ASN 52 H ASN 52 9.947 -1.587 1.848 202 HA ASN 52 HA ASN 52 11.991 0.310 1.215 203 1HB ASN 52 1HB ASN 52 11.248 -2.385 0.075 204 2HB ASN 52 2HB ASN 52 12.584 -1.426 -0.554 205 1HD2 ASN 52 1HD2 ASN 52 11.596 -1.722 2.817 206 H ALA 53 H ALA 53 8.983 -0.718 -0.114 207 HA ALA 53 HA ALA 53 9.325 0.581 -2.663 208 1HB ALA 53 1HB ALA 53 7.402 -1.209 -1.409 209 2HB ALA 53 2HB ALA 53 7.839 -1.027 -3.107 210 3HB ALA 53 3HB ALA 53 6.640 0.048 -2.382 211 H SER 54 H SER 54 8.899 2.660 -3.069 212 HA SER 54 HA SER 54 7.497 4.195 -1.023 213 1HB SER 54 1HB SER 54 9.618 5.166 -1.685 214 2HB SER 54 2HB SER 54 9.186 5.055 -3.390 215 HG SER 54 HG SER 54 8.724 7.050 -1.711 216 H VAL 55 H VAL 55 6.452 6.190 -2.567 217 HA VAL 55 HA VAL 55 4.005 5.203 -3.332 218 HB VAL 55 HB VAL 55 5.544 7.658 -3.975 219 1HG1 VAL 55 1HG1 VAL 55 4.711 7.233 -6.147 220 1HG2 VAL 55 1HG2 VAL 55 4.018 7.264 -1.966 221 H GLU 56 H GLU 56 6.919 5.675 -5.159 222 HA GLU 56 HA GLU 56 6.158 5.171 -7.725 223 1HB GLU 56 1HB GLU 56 8.444 4.309 -8.051 224 2HB GLU 56 2HB GLU 56 8.423 5.789 -7.109 225 1HG GLU 56 1HG GLU 56 8.645 4.463 -5.059 226 2HG GLU 56 2HG GLU 56 8.712 2.995 -6.029 227 H GLU 57 H GLU 57 7.097 2.763 -5.289 228 HA GLU 57 HA GLU 57 6.476 0.541 -6.968 229 1HB GLU 57 1HB GLU 57 7.316 0.932 -4.119 230 2HB GLU 57 2HB GLU 57 6.894 -0.634 -4.743 231 1HG GLU 57 1HG GLU 57 9.125 1.127 -5.646 232 2HG GLU 57 2HG GLU 57 9.261 -0.370 -4.740 233 H ILE 58 H ILE 58 5.301 1.838 -3.916 234 HA ILE 58 HA ILE 58 3.196 0.173 -3.423 235 HB ILE 58 HB ILE 58 3.495 3.105 -2.840 236 2HG1 ILE 58 2HG1 ILE 58 5.189 1.367 -1.950 237 1HG2 ILE 58 1HG2 ILE 58 1.728 2.976 -1.352 238 1HD1 ILE 58 1HD1 ILE 58 4.952 3.603 -0.946 239 H ALA 59 H ALA 59 3.442 2.768 -5.710 240 HA ALA 59 HA ALA 59 0.591 2.898 -6.154 241 1HB ALA 59 1HB ALA 59 2.836 4.139 -7.737 242 2HB ALA 59 2HB ALA 59 2.016 4.893 -6.370 243 3HB ALA 59 3HB ALA 59 1.121 4.547 -7.851 244 H LYS 60 H LYS 60 2.032 0.345 -6.569 245 HA LYS 60 HA LYS 60 1.294 -0.111 -9.383 246 1HB LYS 60 1HB LYS 60 3.759 -0.937 -7.903 247 2HB LYS 60 2HB LYS 60 3.119 -1.999 -9.143 248 1HG LYS 60 1HG LYS 60 4.937 -0.414 -9.849 249 2HG LYS 60 2HG LYS 60 3.481 -0.409 -10.836 250 1HD LYS 60 1HD LYS 60 2.721 1.607 -9.788 251 2HD LYS 60 2HD LYS 60 4.053 1.564 -8.635 252 1HE LYS 60 1HE LYS 60 4.331 1.854 -11.626 253 2HE LYS 60 2HE LYS 60 4.423 3.175 -10.463 254 1HZ LYS 60 1HZ LYS 60 6.355 2.139 -9.479 255 2HZ LYS 60 2HZ LYS 60 6.620 2.394 -11.120 256 3HZ LYS 60 3HZ LYS 60 6.262 0.843 -10.554 257 H VAL 61 H VAL 61 -0.211 -0.360 -6.968 258 HA VAL 61 HA VAL 61 -0.674 -3.267 -6.953 259 HB VAL 61 HB VAL 61 -1.698 -2.152 -4.551 260 1HG1 VAL 61 1HG1 VAL 61 -0.822 -4.472 -5.034 261 1HG2 VAL 61 1HG2 VAL 61 1.227 -1.631 -4.599 262 HA PRO 62 HA PRO 62 -4.996 -2.921 -7.756 263 1HB PRO 62 1HB PRO 62 -6.295 -3.065 -5.299 264 2HB PRO 62 2HB PRO 62 -5.815 -4.450 -6.290 265 1HG PRO 62 1HG PRO 62 -4.380 -3.184 -3.979 266 2HG PRO 62 2HG PRO 62 -4.590 -4.910 -4.357 267 1HD PRO 62 1HD PRO 62 -2.308 -3.732 -4.876 268 2HD PRO 62 2HD PRO 62 -2.993 -4.839 -6.075 269 H GLY 63 H GLY 63 -4.918 -0.748 -8.420 270 1HA GLY 63 1HA GLY 63 -5.782 1.384 -8.423 271 2HA GLY 63 2HA GLY 63 -6.662 0.956 -6.962 272 H ILE 64 H ILE 64 -4.084 0.194 -5.632 273 HA ILE 64 HA ILE 64 -3.581 2.457 -4.242 274 HB ILE 64 HB ILE 64 -1.576 0.286 -4.820 275 2HG1 ILE 64 2HG1 ILE 64 -3.599 -0.730 -4.000 276 1HG2 ILE 64 1HG2 ILE 64 -0.868 2.512 -3.748 277 1HD1 ILE 64 1HD1 ILE 64 -2.858 -1.127 -1.464 278 H SER 65 H SER 65 -3.099 4.292 -5.119 279 HA SER 65 HA SER 65 -0.584 4.610 -6.472 280 1HB SER 65 1HB SER 65 -3.064 5.869 -7.643 281 2HB SER 65 2HB SER 65 -1.475 5.683 -8.380 282 HG SER 65 HG SER 65 -3.275 3.570 -7.759 283 H GLN 66 H GLN 66 -0.389 7.121 -6.700 284 HA GLN 66 HA GLN 66 0.055 8.684 -4.858 285 1HB GLN 66 1HB GLN 66 -2.383 9.240 -6.526 286 2HB GLN 66 2HB GLN 66 -1.605 10.459 -5.522 287 1HG GLN 66 1HG GLN 66 -0.502 9.063 -7.936 288 2HG GLN 66 2HG GLN 66 -0.821 10.784 -7.728 289 1HE2 GLN 66 1HE2 GLN 66 0.593 12.018 -6.458 290 H GLY 67 H GLY 67 -3.435 7.916 -5.111 291 1HA GLY 67 1HA GLY 67 -4.111 9.018 -2.596 292 2HA GLY 67 2HA GLY 67 -5.074 7.844 -3.486 293 H LEU 68 H LEU 68 -3.988 5.551 -3.435 294 HA LEU 68 HA LEU 68 -3.768 4.855 -0.648 295 1HB LEU 68 1HB LEU 68 -4.772 3.545 -2.810 296 2HB LEU 68 2HB LEU 68 -3.202 2.790 -2.694 297 HG LEU 68 HG LEU 68 -4.658 1.404 -1.469 298 1HD1 LEU 68 1HD1 LEU 68 -2.656 1.603 -0.288 299 1HD2 LEU 68 1HD2 LEU 68 -6.532 2.972 -1.281 300 H ALA 69 H ALA 69 -1.721 4.860 -3.485 301 HA ALA 69 HA ALA 69 0.525 3.658 -2.520 302 1HB ALA 69 1HB ALA 69 0.550 6.123 -4.241 303 2HB ALA 69 2HB ALA 69 0.281 4.483 -4.833 304 3HB ALA 69 3HB ALA 69 1.830 4.914 -4.106 305 H GLU 70 H GLU 70 -0.134 7.159 -2.346 306 HA GLU 70 HA GLU 70 2.035 7.736 -0.660 307 1HB GLU 70 1HB GLU 70 -0.614 9.167 -0.906 308 2HB GLU 70 2HB GLU 70 0.801 9.812 -0.088 309 1HG GLU 70 1HG GLU 70 1.914 9.335 -2.429 310 2HG GLU 70 2HG GLU 70 0.256 9.491 -2.976 311 H LYS 71 H LYS 71 -1.358 7.042 0.040 312 HA LYS 71 HA LYS 71 -1.426 7.312 2.757 313 1HB LYS 71 1HB LYS 71 -2.778 5.502 0.808 314 2HB LYS 71 2HB LYS 71 -3.014 5.218 2.519 315 1HG LYS 71 1HG LYS 71 -4.619 6.764 1.111 316 2HG LYS 71 2HG LYS 71 -4.264 7.086 2.808 317 1HD LYS 71 1HD LYS 71 -2.930 8.897 2.324 318 2HD LYS 71 2HD LYS 71 -2.482 8.277 0.736 319 1HE LYS 71 1HE LYS 71 -4.783 8.744 -0.042 320 2HE LYS 71 2HE LYS 71 -5.128 9.468 1.528 321 1HZ LYS 71 1HZ LYS 71 -3.466 11.134 1.129 322 2HZ LYS 71 2HZ LYS 71 -4.530 11.106 -0.182 323 3HZ LYS 71 3HZ LYS 71 -3.004 10.399 -0.321 324 H ILE 72 H ILE 72 -0.317 4.573 0.852 325 HA ILE 72 HA ILE 72 0.377 2.937 3.071 326 HB ILE 72 HB ILE 72 1.289 2.824 0.201 327 2HG1 ILE 72 2HG1 ILE 72 -1.059 2.524 0.307 328 1HG2 ILE 72 1HG2 ILE 72 2.864 1.659 1.616 329 1HD1 ILE 72 1HD1 ILE 72 0.267 -0.169 0.256 330 H PHE 73 H PHE 73 2.132 5.073 0.902 331 HA PHE 73 HA PHE 73 4.726 4.651 1.761 332 1HB PHE 73 1HB PHE 73 4.207 6.137 -0.098 333 2HB PHE 73 2HB PHE 73 3.371 7.244 0.979 334 HD1 PHE 73 HD1 PHE 73 4.977 7.960 3.065 335 HD2 PHE 73 HD2 PHE 73 6.252 6.845 -0.834 336 HE1 PHE 73 HE1 PHE 73 7.076 9.203 3.397 337 HE2 PHE 73 HE2 PHE 73 8.349 8.085 -0.513 338 HZ PHE 73 HZ PHE 73 8.739 9.318 1.574 339 H TRP 74 H TRP 74 2.323 6.914 3.049 340 HA TRP 74 HA TRP 74 3.844 7.880 5.202 341 1HB TRP 74 1HB TRP 74 0.842 7.637 5.252 342 2HB TRP 74 2HB TRP 74 1.850 8.872 5.994 343 HD1 TRP 74 HD1 TRP 74 -0.578 8.890 3.543 344 HE1 TRP 74 HE1 TRP 74 -0.122 10.517 1.605 345 HE3 TRP 74 HE3 TRP 74 4.435 9.588 4.240 346 HZ2 TRP 74 HZ2 TRP 74 2.079 11.901 0.505 347 HZ3 TRP 74 HZ3 TRP 74 5.644 11.080 2.702 348 HH2 TRP 74 HH2 TRP 74 4.493 12.211 0.875 349 H SER 75 H SER 75 2.488 4.842 4.695 350 HA SER 75 HA SER 75 2.107 4.291 7.530 351 1HB SER 75 1HB SER 75 1.693 2.402 5.211 352 2HB SER 75 2HB SER 75 1.064 2.241 6.852 353 HG SER 75 HG SER 75 0.374 4.591 5.566 354 H LEU 76 H LEU 76 4.650 4.118 5.340 355 HA LEU 76 HA LEU 76 6.071 2.314 7.129 356 1HB LEU 76 1HB LEU 76 7.014 1.529 4.731 357 2HB LEU 76 2HB LEU 76 5.739 0.722 5.625 358 HG LEU 76 HG LEU 76 4.753 2.901 3.971 359 1HD1 LEU 76 1HD1 LEU 76 6.376 2.344 2.387 360 1HD2 LEU 76 1HD2 LEU 76 2.996 1.389 3.596 361 H LYS 77 H LYS 77 6.545 3.879 4.021 362 HA LYS 77 HA LYS 77 9.178 4.294 3.934 363 1HB LYS 77 1HB LYS 77 6.890 5.545 2.772 364 2HB LYS 77 2HB LYS 77 8.105 6.770 3.128 365 1HG LYS 77 1HG LYS 77 8.357 5.883 0.875 366 2HG LYS 77 2HG LYS 77 9.761 5.513 1.874 367 1HD LYS 77 1HD LYS 77 8.582 3.275 2.340 368 2HD LYS 77 2HD LYS 77 7.585 3.679 0.941 369 1HE LYS 77 1HE LYS 77 9.460 2.286 0.276 370 2HE LYS 77 2HE LYS 77 9.607 3.895 -0.424 371 1HZ LYS 77 1HZ LYS 77 11.146 4.444 1.407 372 2HZ LYS 77 2HZ LYS 77 11.719 3.221 0.402 373 3HZ LYS 77 3HZ LYS 77 11.083 2.837 1.918 374 H HIS 78 H HIS 78 6.953 6.176 5.907 375 HA HIS 78 HA HIS 78 8.915 6.819 7.802 376 1HB HIS 78 1HB HIS 78 9.601 8.956 7.335 377 2HB HIS 78 2HB HIS 78 9.422 8.354 5.695 378 HD1 HIS 78 HD1 HIS 78 6.160 8.665 5.936 379 HD2 HIS 78 HD2 HIS 78 9.077 11.571 6.477 380 HE1 HIS 78 HE1 HIS 78 5.017 10.856 5.499 381 HE2 HIS 78 HE2 HIS 78 6.844 12.576 5.641 Start of MODEL 8 1 H THR 23 H THR 23 -9.804 -7.461 -5.593 2 HA THR 23 HA THR 23 -7.000 -6.823 -5.159 3 HB THR 23 HB THR 23 -8.811 -6.317 -7.525 4 HG1 THR 23 HG1 THR 23 -8.380 -8.494 -7.347 5 1HG2 THR 23 1HG2 THR 23 -5.853 -5.863 -7.154 6 H SER 24 H SER 24 -10.074 -5.379 -4.849 7 HA SER 24 HA SER 24 -8.846 -2.713 -4.593 8 1HB SER 24 1HB SER 24 -11.779 -3.238 -5.049 9 2HB SER 24 2HB SER 24 -10.887 -1.739 -5.298 10 HG SER 24 HG SER 24 -10.186 -2.440 -7.178 11 H SER 25 H SER 25 -10.256 -1.290 -3.048 12 HA SER 25 HA SER 25 -11.592 -2.640 -0.911 13 1HB SER 25 1HB SER 25 -8.934 -1.354 -0.250 14 2HB SER 25 2HB SER 25 -10.018 -2.188 0.862 15 HG SER 25 HG SER 25 -9.666 -4.058 -0.634 16 H LEU 26 H LEU 26 -11.657 -0.273 -2.848 17 HA LEU 26 HA LEU 26 -11.428 2.166 -1.639 18 1HB LEU 26 1HB LEU 26 -13.379 1.129 -3.652 19 2HB LEU 26 2HB LEU 26 -13.547 2.758 -3.031 20 HG LEU 26 HG LEU 26 -11.135 3.128 -3.763 21 1HD1 LEU 26 1HD1 LEU 26 -10.408 0.874 -4.059 22 1HD2 LEU 26 1HD2 LEU 26 -13.357 2.648 -5.730 23 H GLU 27 H GLU 27 -13.900 -0.245 -1.200 24 HA GLU 27 HA GLU 27 -15.843 1.179 0.110 25 1HB GLU 27 1HB GLU 27 -16.412 -0.900 1.274 26 2HB GLU 27 2HB GLU 27 -16.062 -1.195 -0.423 27 1HG GLU 27 1HG GLU 27 -13.812 -1.955 0.189 28 2HG GLU 27 2HG GLU 27 -14.202 -1.693 1.889 29 H THR 28 H THR 28 -12.816 -0.104 1.391 30 HA THR 28 HA THR 28 -13.343 1.320 3.896 31 HB THR 28 HB THR 28 -11.183 -0.729 3.569 32 HG1 THR 28 HG1 THR 28 -13.949 -1.100 3.583 33 1HG2 THR 28 1HG2 THR 28 -12.727 0.485 5.818 34 H ILE 29 H ILE 29 -11.512 1.497 1.076 35 HA ILE 29 HA ILE 29 -9.089 2.486 2.064 36 HB ILE 29 HB ILE 29 -10.460 2.883 -0.568 37 2HG1 ILE 29 2HG1 ILE 29 -9.541 0.636 0.167 38 1HG2 ILE 29 1HG2 ILE 29 -8.307 3.778 -1.393 39 1HD1 ILE 29 1HD1 ILE 29 -8.592 0.054 -1.896 40 H GLU 30 H GLU 30 -9.779 3.701 3.739 41 HA GLU 30 HA GLU 30 -9.810 6.513 3.298 42 1HB GLU 30 1HB GLU 30 -12.035 5.338 4.950 43 2HB GLU 30 2HB GLU 30 -11.895 6.981 4.338 44 1HG GLU 30 1HG GLU 30 -12.435 6.275 2.126 45 2HG GLU 30 2HG GLU 30 -12.349 4.574 2.586 46 H GLY 31 H GLY 31 -8.031 4.752 4.134 47 1HA GLY 31 1HA GLY 31 -6.528 4.721 5.966 48 2HA GLY 31 2HA GLY 31 -7.889 5.035 7.053 49 H VAL 32 H VAL 32 -7.923 2.834 4.382 50 HA VAL 32 HA VAL 32 -9.192 0.743 5.486 51 HB VAL 32 HB VAL 32 -8.729 1.198 3.106 52 1HG1 VAL 32 1HG1 VAL 32 -6.104 -0.220 3.403 53 1HG2 VAL 32 1HG2 VAL 32 -9.372 -1.083 4.240 54 H GLY 33 H GLY 33 -6.902 -1.198 4.547 55 1HA GLY 33 1HA GLY 33 -4.856 -1.769 5.857 56 2HA GLY 33 2HA GLY 33 -5.816 -1.428 7.279 57 HA PRO 34 HA PRO 34 -8.236 -5.225 7.431 58 1HB PRO 34 1HB PRO 34 -9.632 -5.225 4.888 59 2HB PRO 34 2HB PRO 34 -10.296 -5.122 6.519 60 1HG PRO 34 1HG PRO 34 -9.737 -2.982 4.605 61 2HG PRO 34 2HG PRO 34 -10.765 -2.959 6.045 62 1HD PRO 34 1HD PRO 34 -8.440 -1.624 5.908 63 2HD PRO 34 2HD PRO 34 -9.016 -2.332 7.427 64 H LYS 35 H LYS 35 -7.589 -4.748 3.947 65 HA LYS 35 HA LYS 35 -5.767 -7.055 4.021 66 1HB LYS 35 1HB LYS 35 -6.802 -8.035 2.057 67 2HB LYS 35 2HB LYS 35 -7.996 -7.882 3.338 68 1HG LYS 35 1HG LYS 35 -9.262 -6.479 2.155 69 2HG LYS 35 2HG LYS 35 -7.869 -5.577 1.555 70 1HD LYS 35 1HD LYS 35 -8.903 -6.572 -0.330 71 2HD LYS 35 2HD LYS 35 -7.435 -7.492 -0.007 72 1HE LYS 35 1HE LYS 35 -8.868 -9.107 1.283 73 2HE LYS 35 2HE LYS 35 -10.270 -8.255 0.641 74 1HZ LYS 35 1HZ LYS 35 -8.162 -9.513 -1.017 75 2HZ LYS 35 2HZ LYS 35 -9.594 -8.812 -1.573 76 3HZ LYS 35 3HZ LYS 35 -9.647 -10.229 -0.655 77 H ARG 36 H ARG 36 -6.902 -4.152 2.619 78 HA ARG 36 HA ARG 36 -5.674 -3.850 0.266 79 1HB ARG 36 1HB ARG 36 -7.119 -2.196 1.126 80 2HB ARG 36 2HB ARG 36 -6.067 -1.924 2.504 81 1HG ARG 36 1HG ARG 36 -5.492 -0.166 1.229 82 2HG ARG 36 2HG ARG 36 -4.346 -1.362 0.632 83 1HD ARG 36 1HD ARG 36 -6.537 -0.046 -0.738 84 2HD ARG 36 2HD ARG 36 -5.132 -0.891 -1.362 85 HE ARG 36 HE ARG 36 -7.388 -2.460 -0.374 86 1HH1 ARG 36 1HH1 ARG 36 -5.514 -1.319 -3.105 87 1HH2 ARG 36 1HH2 ARG 36 -8.085 -4.114 -1.751 88 H ARG 37 H ARG 37 -4.171 -3.778 3.410 89 HA ARG 37 HA ARG 37 -1.670 -2.775 2.331 90 1HB ARG 37 1HB ARG 37 -2.112 -3.726 5.134 91 2HB ARG 37 2HB ARG 37 -0.998 -2.493 4.545 92 1HG ARG 37 1HG ARG 37 -3.988 -2.265 4.538 93 2HG ARG 37 2HG ARG 37 -2.918 -1.545 5.731 94 1HD ARG 37 1HD ARG 37 -1.784 -0.591 3.520 95 2HD ARG 37 2HD ARG 37 -3.430 -0.788 2.926 96 HE ARG 37 HE ARG 37 -4.105 0.616 4.869 97 1HH1 ARG 37 1HH1 ARG 37 -0.837 0.760 3.654 98 1HH2 ARG 37 1HH2 ARG 37 -3.747 2.756 5.616 99 H GLN 38 H GLN 38 -3.232 -5.658 3.052 100 HA GLN 38 HA GLN 38 -0.911 -7.295 3.383 101 1HB GLN 38 1HB GLN 38 -2.473 -8.686 4.182 102 2HB GLN 38 2HB GLN 38 -3.734 -7.571 3.672 103 1HG GLN 38 1HG GLN 38 -3.740 -8.627 1.451 104 2HG GLN 38 2HG GLN 38 -2.526 -9.768 2.016 105 1HE2 GLN 38 1HE2 GLN 38 -3.118 -11.307 3.593 106 H MET 39 H MET 39 -3.058 -6.249 0.854 107 HA MET 39 HA MET 39 -2.463 -7.998 -1.181 108 1HB MET 39 1HB MET 39 -2.999 -5.034 -1.256 109 2HB MET 39 2HB MET 39 -2.796 -5.993 -2.717 110 1HG MET 39 1HG MET 39 -4.640 -7.487 -1.753 111 2HG MET 39 2HG MET 39 -4.969 -6.138 -0.670 112 1HE MET 39 1HE MET 39 -4.398 -7.252 -4.229 113 2HE MET 39 2HE MET 39 -3.809 -5.623 -4.552 114 3HE MET 39 3HE MET 39 -5.343 -6.155 -5.237 115 H LEU 40 H LEU 40 -0.767 -4.984 -0.352 116 HA LEU 40 HA LEU 40 1.259 -5.104 -2.211 117 1HB LEU 40 1HB LEU 40 1.712 -4.301 0.657 118 2HB LEU 40 2HB LEU 40 2.572 -3.732 -0.760 119 HG LEU 40 HG LEU 40 1.227 -1.963 -0.716 120 1HD1 LEU 40 1HD1 LEU 40 0.110 -3.564 -2.425 121 1HD2 LEU 40 1HD2 LEU 40 0.702 -2.503 1.613 122 H LEU 41 H LEU 41 1.397 -6.312 1.121 123 HA LEU 41 HA LEU 41 3.809 -7.617 1.011 124 1HB LEU 41 1HB LEU 41 1.327 -7.959 2.600 125 2HB LEU 41 2HB LEU 41 2.504 -9.255 2.660 126 HG LEU 41 HG LEU 41 2.547 -7.226 4.379 127 1HD1 LEU 41 1HD1 LEU 41 4.995 -8.505 3.164 128 1HD2 LEU 41 1HD2 LEU 41 2.839 -5.590 2.508 129 H LYS 42 H LYS 42 0.680 -8.680 -0.148 130 HA LYS 42 HA LYS 42 1.668 -11.309 -0.839 131 1HB LYS 42 1HB LYS 42 -0.933 -9.859 -1.106 132 2HB LYS 42 2HB LYS 42 -0.647 -11.267 -2.116 133 1HG LYS 42 1HG LYS 42 -1.869 -11.618 0.086 134 2HG LYS 42 2HG LYS 42 -0.529 -12.706 -0.280 135 1HD LYS 42 1HD LYS 42 0.926 -11.512 1.194 136 2HD LYS 42 2HD LYS 42 -0.266 -10.230 1.411 137 1HE LYS 42 1HE LYS 42 -1.720 -11.665 2.619 138 2HE LYS 42 2HE LYS 42 -0.785 -13.092 2.177 139 1HZ LYS 42 1HZ LYS 42 0.973 -12.425 3.581 140 2HZ LYS 42 2HZ LYS 42 -0.442 -12.253 4.485 141 3HZ LYS 42 3HZ LYS 42 0.307 -10.891 3.827 142 H TYR 43 H TYR 43 1.525 -8.216 -2.213 143 HA TYR 43 HA TYR 43 1.818 -9.142 -4.948 144 1HB TYR 43 1HB TYR 43 0.916 -6.756 -3.653 145 2HB TYR 43 2HB TYR 43 2.233 -6.341 -4.742 146 HD1 TYR 43 HD1 TYR 43 2.005 -7.634 -7.124 147 HD2 TYR 43 HD2 TYR 43 -1.202 -6.614 -4.526 148 HE1 TYR 43 HE1 TYR 43 0.447 -7.708 -9.029 149 HE2 TYR 43 HE2 TYR 43 -2.769 -6.688 -6.418 150 HH TYR 43 HH TYR 43 -2.786 -6.543 -8.798 151 H MET 44 H MET 44 3.757 -8.199 -2.297 152 HA MET 44 HA MET 44 6.113 -7.975 -4.040 153 1HB MET 44 1HB MET 44 7.147 -6.610 -2.324 154 2HB MET 44 2HB MET 44 5.587 -5.930 -2.770 155 1HG MET 44 1HG MET 44 4.582 -6.930 -0.780 156 2HG MET 44 2HG MET 44 6.149 -7.595 -0.323 157 1HE MET 44 1HE MET 44 6.073 -4.130 -2.070 158 2HE MET 44 2HE MET 44 5.594 -3.043 -0.769 159 3HE MET 44 3HE MET 44 4.441 -4.219 -1.409 160 H GLY 45 H GLY 45 4.754 -9.424 -1.173 161 1HA GLY 45 1HA GLY 45 5.264 -11.527 -0.334 162 2HA GLY 45 2HA GLY 45 6.704 -11.558 -1.339 163 H GLY 46 H GLY 46 5.968 -8.853 0.753 164 1HA GLY 46 1HA GLY 46 7.003 -9.507 3.141 165 2HA GLY 46 2HA GLY 46 8.445 -9.305 2.167 166 H LEU 47 H LEU 47 6.533 -7.811 4.263 167 HA LEU 47 HA LEU 47 5.959 -5.304 3.274 168 1HB LEU 47 1HB LEU 47 5.177 -5.757 5.412 169 2HB LEU 47 2HB LEU 47 6.744 -6.261 5.996 170 HG LEU 47 HG LEU 47 7.487 -3.855 5.754 171 1HD1 LEU 47 1HD1 LEU 47 5.186 -3.515 4.365 172 1HD2 LEU 47 1HD2 LEU 47 5.254 -4.421 7.703 173 H GLN 48 H GLN 48 9.012 -6.599 4.419 174 HA GLN 48 HA GLN 48 10.585 -4.398 4.657 175 1HB GLN 48 1HB GLN 48 11.379 -6.757 4.786 176 2HB GLN 48 2HB GLN 48 11.294 -6.836 3.031 177 1HG GLN 48 1HG GLN 48 13.580 -6.453 3.877 178 2HG GLN 48 2HG GLN 48 13.004 -5.174 2.808 179 1HE2 GLN 48 1HE2 GLN 48 12.468 -3.155 3.689 180 H GLY 49 H GLY 49 9.551 -5.976 1.689 181 1HA GLY 49 1HA GLY 49 10.911 -4.245 -0.087 182 2HA GLY 49 2HA GLY 49 9.518 -5.241 -0.495 183 H LEU 50 H LEU 50 7.873 -4.098 1.540 184 HA LEU 50 HA LEU 50 6.817 -1.899 0.074 185 1HB LEU 50 1HB LEU 50 5.239 -3.265 1.118 186 2HB LEU 50 2HB LEU 50 6.118 -3.286 2.630 187 HG LEU 50 HG LEU 50 5.442 -1.081 3.150 188 1HD1 LEU 50 1HD1 LEU 50 4.242 0.365 1.690 189 1HD2 LEU 50 1HD2 LEU 50 3.796 -2.963 3.460 190 H ARG 51 H ARG 51 8.541 -2.298 3.102 191 HA ARG 51 HA ARG 51 8.366 0.253 4.127 192 1HB ARG 51 1HB ARG 51 10.730 -1.614 4.250 193 2HB ARG 51 2HB ARG 51 10.430 -0.259 5.339 194 1HG ARG 51 1HG ARG 51 8.110 -1.893 5.248 195 2HG ARG 51 2HG ARG 51 9.502 -2.916 5.563 196 1HD ARG 51 1HD ARG 51 8.713 -0.451 7.114 197 2HD ARG 51 2HD ARG 51 8.532 -2.124 7.647 198 HE ARG 51 HE ARG 51 11.107 -2.118 7.297 199 1HH1 ARG 51 1HH1 ARG 51 9.152 0.462 8.596 200 1HH2 ARG 51 1HH2 ARG 51 12.799 -1.260 8.584 201 H ASN 52 H ASN 52 10.407 -0.993 1.602 202 HA ASN 52 HA ASN 52 11.627 1.651 1.263 203 1HB ASN 52 1HB ASN 52 12.942 0.462 -0.578 204 2HB ASN 52 2HB ASN 52 13.259 -0.045 1.077 205 1HD2 ASN 52 1HD2 ASN 52 12.418 -2.002 1.800 206 H ALA 53 H ALA 53 9.204 -0.385 -0.045 207 HA ALA 53 HA ALA 53 9.017 0.724 -2.636 208 1HB ALA 53 1HB ALA 53 6.737 -0.186 -2.653 209 2HB ALA 53 2HB ALA 53 6.857 -0.509 -0.928 210 3HB ALA 53 3HB ALA 53 7.896 -1.371 -2.061 211 H SER 54 H SER 54 8.939 2.937 -2.756 212 HA SER 54 HA SER 54 7.379 4.419 -0.853 213 1HB SER 54 1HB SER 54 8.842 5.383 -3.317 214 2HB SER 54 2HB SER 54 8.285 6.367 -1.967 215 HG SER 54 HG SER 54 10.058 4.218 -1.547 216 H VAL 55 H VAL 55 5.968 6.183 -1.975 217 HA VAL 55 HA VAL 55 3.655 5.123 -2.860 218 HB VAL 55 HB VAL 55 4.996 7.700 -3.140 219 1HG1 VAL 55 1HG1 VAL 55 3.299 8.555 -4.773 220 1HG2 VAL 55 1HG2 VAL 55 2.077 7.130 -2.718 221 H GLU 56 H GLU 56 6.457 5.945 -4.740 222 HA GLU 56 HA GLU 56 5.495 5.605 -7.325 223 1HB GLU 56 1HB GLU 56 8.025 4.906 -7.616 224 2HB GLU 56 2HB GLU 56 7.580 6.566 -7.244 225 1HG GLU 56 1HG GLU 56 7.954 4.795 -4.939 226 2HG GLU 56 2HG GLU 56 9.393 5.122 -5.882 227 H GLU 57 H GLU 57 7.136 3.324 -5.186 228 HA GLU 57 HA GLU 57 6.909 1.114 -6.979 229 1HB GLU 57 1HB GLU 57 8.248 1.737 -4.556 230 2HB GLU 57 2HB GLU 57 7.242 0.329 -4.262 231 1HG GLU 57 1HG GLU 57 9.678 0.071 -5.082 232 2HG GLU 57 2HG GLU 57 8.412 -0.991 -5.686 233 H ILE 58 H ILE 58 5.426 2.047 -3.921 234 HA ILE 58 HA ILE 58 3.637 -0.026 -3.668 235 HB ILE 58 HB ILE 58 3.444 2.862 -2.837 236 2HG1 ILE 58 2HG1 ILE 58 5.179 1.265 -1.831 237 1HG2 ILE 58 1HG2 ILE 58 1.645 0.598 -2.015 238 1HD1 ILE 58 1HD1 ILE 58 3.164 2.416 0.084 239 H ALA 59 H ALA 59 3.682 2.783 -5.679 240 HA ALA 59 HA ALA 59 0.932 2.618 -6.444 241 1HB ALA 59 1HB ALA 59 1.513 4.265 -8.148 242 2HB ALA 59 2HB ALA 59 3.225 4.044 -7.780 243 3HB ALA 59 3HB ALA 59 2.139 4.724 -6.563 244 H LYS 60 H LYS 60 2.404 0.132 -6.668 245 HA LYS 60 HA LYS 60 2.152 -0.325 -9.574 246 1HB LYS 60 1HB LYS 60 4.160 -1.350 -7.600 247 2HB LYS 60 2HB LYS 60 3.715 -2.356 -8.968 248 1HG LYS 60 1HG LYS 60 5.749 -1.034 -9.371 249 2HG LYS 60 2HG LYS 60 4.459 -0.667 -10.517 250 1HD LYS 60 1HD LYS 60 3.890 1.331 -9.253 251 2HD LYS 60 2HD LYS 60 5.144 0.955 -8.073 252 1HE LYS 60 1HE LYS 60 5.687 1.385 -10.999 253 2HE LYS 60 2HE LYS 60 5.755 2.675 -9.800 254 1HZ LYS 60 1HZ LYS 60 7.455 1.388 -8.621 255 2HZ LYS 60 2HZ LYS 60 7.937 1.796 -10.184 256 3HZ LYS 60 3HZ LYS 60 7.424 0.223 -9.843 257 H VAL 61 H VAL 61 0.248 -0.420 -7.331 258 HA VAL 61 HA VAL 61 -0.538 -3.249 -7.574 259 HB VAL 61 HB VAL 61 -1.741 -2.102 -5.259 260 1HG1 VAL 61 1HG1 VAL 61 -0.545 -3.907 -4.103 261 1HG2 VAL 61 1HG2 VAL 61 1.204 -1.584 -5.480 262 HA PRO 62 HA PRO 62 -4.707 -2.197 -8.774 263 1HB PRO 62 1HB PRO 62 -6.086 -1.886 -6.277 264 2HB PRO 62 2HB PRO 62 -6.134 -3.258 -7.378 265 1HG PRO 62 1HG PRO 62 -4.612 -2.883 -4.899 266 2HG PRO 62 2HG PRO 62 -5.077 -4.379 -5.718 267 1HD PRO 62 1HD PRO 62 -2.556 -3.455 -5.655 268 2HD PRO 62 2HD PRO 62 -3.184 -4.417 -6.996 269 H GLY 63 H GLY 63 -6.649 -0.488 -7.401 270 1HA GLY 63 1HA GLY 63 -6.218 1.985 -8.247 271 2HA GLY 63 2HA GLY 63 -6.952 1.720 -6.668 272 H ILE 64 H ILE 64 -4.387 0.459 -5.763 273 HA ILE 64 HA ILE 64 -3.243 2.579 -4.416 274 HB ILE 64 HB ILE 64 -1.707 0.134 -5.240 275 2HG1 ILE 64 2HG1 ILE 64 -3.778 -0.756 -4.576 276 1HG2 ILE 64 1HG2 ILE 64 -0.492 0.430 -3.276 277 1HD1 ILE 64 1HD1 ILE 64 -1.946 -1.841 -3.380 278 H SER 65 H SER 65 -3.014 4.194 -6.036 279 HA SER 65 HA SER 65 -0.641 3.865 -7.738 280 1HB SER 65 1HB SER 65 -3.329 4.878 -8.263 281 2HB SER 65 2HB SER 65 -2.066 6.002 -8.764 282 HG SER 65 HG SER 65 -2.020 3.245 -9.433 283 H GLN 66 H GLN 66 -2.623 6.362 -6.199 284 HA GLN 66 HA GLN 66 -0.164 7.584 -5.174 285 1HB GLN 66 1HB GLN 66 -1.100 8.850 -7.158 286 2HB GLN 66 2HB GLN 66 -2.525 9.175 -6.180 287 1HG GLN 66 1HG GLN 66 -0.932 11.040 -6.185 288 2HG GLN 66 2HG GLN 66 -1.203 10.381 -4.570 289 1HE2 GLN 66 1HE2 GLN 66 0.749 11.184 -3.804 290 H GLY 67 H GLY 67 -3.721 7.692 -4.989 291 1HA GLY 67 1HA GLY 67 -3.919 8.730 -2.418 292 2HA GLY 67 2HA GLY 67 -5.093 7.627 -3.129 293 H LEU 68 H LEU 68 -4.166 5.284 -3.254 294 HA LEU 68 HA LEU 68 -3.781 4.411 -0.583 295 1HB LEU 68 1HB LEU 68 -4.660 3.247 -2.902 296 2HB LEU 68 2HB LEU 68 -3.072 2.533 -2.725 297 HG LEU 68 HG LEU 68 -4.596 1.036 -1.706 298 1HD1 LEU 68 1HD1 LEU 68 -2.591 1.259 -0.449 299 1HD2 LEU 68 1HD2 LEU 68 -6.157 1.726 0.050 300 H ALA 69 H ALA 69 -1.697 4.683 -3.403 301 HA ALA 69 HA ALA 69 0.581 3.469 -2.550 302 1HB ALA 69 1HB ALA 69 1.826 4.863 -4.009 303 2HB ALA 69 2HB ALA 69 0.639 6.165 -3.891 304 3HB ALA 69 3HB ALA 69 0.233 4.674 -4.746 305 H GLU 70 H GLU 70 -0.350 6.821 -1.941 306 HA GLU 70 HA GLU 70 1.716 7.403 -0.131 307 1HB GLU 70 1HB GLU 70 -1.080 8.556 -0.267 308 2HB GLU 70 2HB GLU 70 0.259 9.260 0.624 309 1HG GLU 70 1HG GLU 70 1.434 9.307 -1.667 310 2HG GLU 70 2HG GLU 70 -0.181 9.099 -2.312 311 H LYS 71 H LYS 71 -1.628 6.373 0.354 312 HA LYS 71 HA LYS 71 -1.827 6.254 3.059 313 1HB LYS 71 1HB LYS 71 -2.825 4.331 0.961 314 2HB LYS 71 2HB LYS 71 -3.311 4.252 2.632 315 1HG LYS 71 1HG LYS 71 -4.381 5.830 0.534 316 2HG LYS 71 2HG LYS 71 -4.946 5.668 2.196 317 1HD LYS 71 1HD LYS 71 -3.523 7.459 2.915 318 2HD LYS 71 2HD LYS 71 -2.747 7.538 1.332 319 1HE LYS 71 1HE LYS 71 -4.783 8.286 0.306 320 2HE LYS 71 2HE LYS 71 -5.678 8.046 1.806 321 1HZ LYS 71 1HZ LYS 71 -3.436 9.956 1.512 322 2HZ LYS 71 2HZ LYS 71 -4.480 9.811 2.827 323 3HZ LYS 71 3HZ LYS 71 -5.060 10.382 1.347 324 H ILE 72 H ILE 72 -0.216 4.009 0.903 325 HA ILE 72 HA ILE 72 0.470 2.204 3.060 326 HB ILE 72 HB ILE 72 1.458 2.159 0.216 327 2HG1 ILE 72 2HG1 ILE 72 -0.987 2.097 0.292 328 1HG2 ILE 72 1HG2 ILE 72 1.127 -0.300 1.816 329 1HD1 ILE 72 1HD1 ILE 72 0.439 -0.424 -0.404 330 H PHE 73 H PHE 73 2.094 4.501 0.935 331 HA PHE 73 HA PHE 73 4.722 4.077 1.633 332 1HB PHE 73 1HB PHE 73 4.346 5.683 -0.052 333 2HB PHE 73 2HB PHE 73 3.227 6.605 0.950 334 HD1 PHE 73 HD1 PHE 73 4.037 8.160 2.608 335 HD2 PHE 73 HD2 PHE 73 6.725 5.885 0.227 336 HE1 PHE 73 HE1 PHE 73 5.880 9.639 3.283 337 HE2 PHE 73 HE2 PHE 73 8.573 7.362 0.899 338 HZ PHE 73 HZ PHE 73 8.124 9.250 2.482 339 H TRP 74 H TRP 74 2.433 6.291 3.181 340 HA TRP 74 HA TRP 74 4.013 7.178 5.256 341 1HB TRP 74 1HB TRP 74 1.076 6.491 5.496 342 2HB TRP 74 2HB TRP 74 1.965 7.672 6.446 343 HD1 TRP 74 HD1 TRP 74 -0.468 7.680 3.872 344 HE1 TRP 74 HE1 TRP 74 -0.350 9.787 2.403 345 HE3 TRP 74 HE3 TRP 74 4.192 9.304 5.170 346 HZ2 TRP 74 HZ2 TRP 74 1.476 11.864 1.861 347 HZ3 TRP 74 HZ3 TRP 74 5.059 11.358 4.131 348 HH2 TRP 74 HH2 TRP 74 3.729 12.612 2.510 349 H SER 75 H SER 75 1.878 4.367 5.213 350 HA SER 75 HA SER 75 1.905 3.322 7.623 351 1HB SER 75 1HB SER 75 2.688 1.692 5.204 352 2HB SER 75 2HB SER 75 1.874 1.107 6.656 353 HG SER 75 HG SER 75 0.401 3.077 5.836 354 H LEU 76 H LEU 76 4.727 2.853 5.462 355 HA LEU 76 HA LEU 76 6.246 2.027 7.821 356 1HB LEU 76 1HB LEU 76 7.837 1.705 5.534 357 2HB LEU 76 2HB LEU 76 7.111 0.469 6.531 358 HG LEU 76 HG LEU 76 6.634 0.084 4.194 359 1HD1 LEU 76 1HD1 LEU 76 4.117 0.069 4.319 360 1HD2 LEU 76 1HD2 LEU 76 4.784 2.269 3.777 361 H LYS 77 H LYS 77 5.997 4.526 5.469 362 HA LYS 77 HA LYS 77 8.637 5.551 6.127 363 1HB LYS 77 1HB LYS 77 6.780 5.928 3.934 364 2HB LYS 77 2HB LYS 77 7.450 7.447 4.513 365 1HG LYS 77 1HG LYS 77 9.075 6.920 3.034 366 2HG LYS 77 2HG LYS 77 9.694 6.026 4.422 367 1HD LYS 77 1HD LYS 77 8.484 4.013 3.574 368 2HD LYS 77 2HD LYS 77 8.083 4.934 2.122 369 1HE LYS 77 1HE LYS 77 10.014 3.615 1.640 370 2HE LYS 77 2HE LYS 77 10.522 5.296 1.765 371 1HZ LYS 77 1HZ LYS 77 12.077 3.933 2.927 372 2HZ LYS 77 2HZ LYS 77 10.859 3.184 3.820 373 3HZ LYS 77 3HZ LYS 77 11.212 4.816 4.076 374 H HIS 78 H HIS 78 5.495 7.258 5.891 375 HA HIS 78 HA HIS 78 5.952 8.410 8.519 376 1HB HIS 78 1HB HIS 78 5.787 10.151 6.050 377 2HB HIS 78 2HB HIS 78 5.823 10.730 7.715 378 HD1 HIS 78 HD1 HIS 78 8.102 10.929 8.825 379 HD2 HIS 78 HD2 HIS 78 8.238 9.055 5.122 380 HE1 HIS 78 HE1 HIS 78 10.538 10.759 8.245 381 HE2 HIS 78 HE2 HIS 78 10.582 9.779 5.923 Start of MODEL 9 1 H THR 23 H THR 23 -5.251 13.135 -4.685 2 HA THR 23 HA THR 23 -5.038 10.664 -3.511 3 HB THR 23 HB THR 23 -3.998 12.840 -1.837 4 HG1 THR 23 HG1 THR 23 -2.837 13.856 -3.383 5 1HG2 THR 23 1HG2 THR 23 -3.077 10.647 -1.635 6 H SER 24 H SER 24 -7.584 12.517 -3.043 7 HA SER 24 HA SER 24 -7.987 12.861 -0.333 8 1HB SER 24 1HB SER 24 -10.163 12.007 -2.232 9 2HB SER 24 2HB SER 24 -10.291 13.081 -0.838 10 HG SER 24 HG SER 24 -8.993 14.584 -1.971 11 H SER 25 H SER 25 -7.644 9.959 -2.039 12 HA SER 25 HA SER 25 -7.631 7.788 -1.340 13 1HB SER 25 1HB SER 25 -8.427 8.654 1.426 14 2HB SER 25 2HB SER 25 -7.353 7.345 0.936 15 HG SER 25 HG SER 25 -6.554 9.870 0.162 16 H LEU 26 H LEU 26 -10.208 9.602 -1.696 17 HA LEU 26 HA LEU 26 -12.269 8.219 -0.357 18 1HB LEU 26 1HB LEU 26 -12.388 9.894 -2.856 19 2HB LEU 26 2HB LEU 26 -13.774 9.386 -1.906 20 HG LEU 26 HG LEU 26 -11.561 11.216 -0.974 21 1HD1 LEU 26 1HD1 LEU 26 -12.962 12.392 -2.486 22 1HD2 LEU 26 1HD2 LEU 26 -13.980 10.106 0.433 23 H GLU 27 H GLU 27 -10.256 6.930 -2.492 24 HA GLU 27 HA GLU 27 -12.001 5.687 -4.356 25 1HB GLU 27 1HB GLU 27 -10.096 4.233 -4.864 26 2HB GLU 27 2HB GLU 27 -9.622 5.926 -4.810 27 1HG GLU 27 1HG GLU 27 -8.238 5.620 -3.086 28 2HG GLU 27 2HG GLU 27 -9.342 4.524 -2.257 29 H THR 28 H THR 28 -11.359 5.163 -1.075 30 HA THR 28 HA THR 28 -13.207 3.352 -0.463 31 HB THR 28 HB THR 28 -12.548 1.674 -2.002 32 HG1 THR 28 HG1 THR 28 -12.636 1.105 0.437 33 1HG2 THR 28 1HG2 THR 28 -10.406 2.451 -2.679 34 H ILE 29 H ILE 29 -10.024 4.477 -0.047 35 HA ILE 29 HA ILE 29 -9.151 3.318 2.277 36 HB ILE 29 HB ILE 29 -8.887 6.159 1.353 37 2HG1 ILE 29 2HG1 ILE 29 -7.802 3.629 0.536 38 1HG2 ILE 29 1HG2 ILE 29 -6.868 6.202 2.811 39 1HD1 ILE 29 1HD1 ILE 29 -8.495 5.622 -0.902 40 H GLU 30 H GLU 30 -10.870 2.889 3.577 41 HA GLU 30 HA GLU 30 -11.677 5.071 5.305 42 1HB GLU 30 1HB GLU 30 -13.634 3.091 4.130 43 2HB GLU 30 2HB GLU 30 -14.014 4.393 5.249 44 1HG GLU 30 1HG GLU 30 -12.659 5.289 2.816 45 2HG GLU 30 2HG GLU 30 -14.229 4.521 2.533 46 H GLY 31 H GLY 31 -9.749 3.089 5.678 47 1HA GLY 31 1HA GLY 31 -9.841 2.204 8.118 48 2HA GLY 31 2HA GLY 31 -11.043 1.124 7.435 49 H VAL 32 H VAL 32 -8.943 1.546 4.971 50 HA VAL 32 HA VAL 32 -7.998 -0.847 4.608 51 HB VAL 32 HB VAL 32 -5.613 0.537 4.276 52 1HG1 VAL 32 1HG1 VAL 32 -5.988 -0.330 2.260 53 1HG2 VAL 32 1HG2 VAL 32 -6.675 2.623 4.959 54 H GLY 33 H GLY 33 -7.080 -2.345 5.626 55 1HA GLY 33 1HA GLY 33 -4.772 -2.266 7.172 56 2HA GLY 33 2HA GLY 33 -6.152 -2.182 8.270 57 HA PRO 34 HA PRO 34 -7.779 -6.307 7.740 58 1HB PRO 34 1HB PRO 34 -8.810 -5.905 5.011 59 2HB PRO 34 2HB PRO 34 -9.647 -6.463 6.449 60 1HG PRO 34 1HG PRO 34 -9.691 -3.874 5.321 61 2HG PRO 34 2HG PRO 34 -10.443 -4.409 6.824 62 1HD PRO 34 1HD PRO 34 -8.329 -2.602 6.598 63 2HD PRO 34 2HD PRO 34 -8.831 -3.438 8.078 64 H LYS 35 H LYS 35 -6.909 -5.250 4.443 65 HA LYS 35 HA LYS 35 -4.490 -6.680 4.338 66 1HB LYS 35 1HB LYS 35 -5.321 -8.396 2.636 67 2HB LYS 35 2HB LYS 35 -5.616 -8.713 4.336 68 1HG LYS 35 1HG LYS 35 -7.877 -8.317 4.149 69 2HG LYS 35 2HG LYS 35 -7.677 -7.338 2.694 70 1HD LYS 35 1HD LYS 35 -7.032 -9.364 1.447 71 2HD LYS 35 2HD LYS 35 -7.321 -10.324 2.899 72 1HE LYS 35 1HE LYS 35 -9.637 -9.881 2.852 73 2HE LYS 35 2HE LYS 35 -9.442 -8.575 1.687 74 1HZ LYS 35 1HZ LYS 35 -10.304 -10.798 0.845 75 2HZ LYS 35 2HZ LYS 35 -8.719 -11.349 1.005 76 3HZ LYS 35 3HZ LYS 35 -9.061 -10.069 -0.037 77 H ARG 36 H ARG 36 -6.955 -4.864 2.907 78 HA ARG 36 HA ARG 36 -6.519 -4.788 0.268 79 1HB ARG 36 1HB ARG 36 -8.097 -3.361 1.569 80 2HB ARG 36 2HB ARG 36 -6.739 -2.329 1.992 81 1HG ARG 36 1HG ARG 36 -7.192 -2.904 -0.849 82 2HG ARG 36 2HG ARG 36 -8.321 -1.820 -0.044 83 1HD ARG 36 1HD ARG 36 -6.658 -0.268 0.429 84 2HD ARG 36 2HD ARG 36 -5.363 -1.440 0.206 85 HE ARG 36 HE ARG 36 -5.586 -1.200 -2.128 86 1HH1 ARG 36 1HH1 ARG 36 -7.830 0.826 -0.376 87 1HH2 ARG 36 1HH2 ARG 36 -5.814 0.323 -3.834 88 H ARG 37 H ARG 37 -4.693 -2.725 2.542 89 HA ARG 37 HA ARG 37 -2.873 -1.849 0.575 90 1HB ARG 37 1HB ARG 37 -1.629 -1.897 3.164 91 2HB ARG 37 2HB ARG 37 -2.140 -0.517 2.198 92 1HG ARG 37 1HG ARG 37 -3.340 -0.264 4.144 93 2HG ARG 37 2HG ARG 37 -4.499 -1.065 3.092 94 1HD ARG 37 1HD ARG 37 -4.700 -2.317 5.010 95 2HD ARG 37 2HD ARG 37 -3.493 -3.236 4.103 96 HE ARG 37 HE ARG 37 -2.385 -1.254 5.873 97 1HH1 ARG 37 1HH1 ARG 37 -3.448 -4.581 5.598 98 1HH2 ARG 37 1HH2 ARG 37 -1.138 -1.970 7.622 99 H GLN 38 H GLN 38 -3.025 -4.642 2.617 100 HA GLN 38 HA GLN 38 -0.456 -5.588 2.500 101 1HB GLN 38 1HB GLN 38 -3.000 -6.597 3.202 102 2HB GLN 38 2HB GLN 38 -2.279 -7.758 2.096 103 1HG GLN 38 1HG GLN 38 -0.326 -7.912 3.493 104 2HG GLN 38 2HG GLN 38 -0.972 -6.688 4.577 105 1HE2 GLN 38 1HE2 GLN 38 -0.853 -8.123 6.308 106 H MET 39 H MET 39 -2.767 -5.218 -0.042 107 HA MET 39 HA MET 39 -2.107 -7.081 -1.872 108 1HB MET 39 1HB MET 39 -2.388 -4.099 -2.303 109 2HB MET 39 2HB MET 39 -2.377 -5.280 -3.610 110 1HG MET 39 1HG MET 39 -4.413 -6.152 -3.022 111 2HG MET 39 2HG MET 39 -4.287 -5.625 -1.358 112 1HE MET 39 1HE MET 39 -6.794 -5.108 -1.600 113 2HE MET 39 2HE MET 39 -6.995 -5.230 -3.347 114 3HE MET 39 3HE MET 39 -7.472 -3.755 -2.507 115 H LEU 40 H LEU 40 -0.216 -4.232 -0.954 116 HA LEU 40 HA LEU 40 1.925 -4.605 -2.679 117 1HB LEU 40 1HB LEU 40 1.791 -3.563 0.142 118 2HB LEU 40 2HB LEU 40 3.267 -3.532 -0.811 119 HG LEU 40 HG LEU 40 2.154 -1.386 -0.925 120 1HD1 LEU 40 1HD1 LEU 40 3.371 -2.163 -2.886 121 1HD2 LEU 40 1HD2 LEU 40 -0.125 -2.130 -0.497 122 H LEU 41 H LEU 41 1.422 -5.853 0.589 123 HA LEU 41 HA LEU 41 3.719 -7.415 0.778 124 1HB LEU 41 1HB LEU 41 1.014 -7.487 2.050 125 2HB LEU 41 2HB LEU 41 2.087 -8.855 2.281 126 HG LEU 41 HG LEU 41 2.029 -6.807 3.972 127 1HD1 LEU 41 1HD1 LEU 41 4.300 -7.415 4.638 128 1HD2 LEU 41 1HD2 LEU 41 3.742 -5.193 3.535 129 H LYS 42 H LYS 42 0.662 -7.967 -0.795 130 HA LYS 42 HA LYS 42 1.194 -10.741 -1.340 131 1HB LYS 42 1HB LYS 42 -0.868 -8.780 -2.324 132 2HB LYS 42 2HB LYS 42 -0.730 -10.390 -3.015 133 1HG LYS 42 1HG LYS 42 -2.452 -10.127 -1.218 134 2HG LYS 42 2HG LYS 42 -1.284 -11.421 -0.962 135 1HD LYS 42 1HD LYS 42 -0.053 -10.068 0.600 136 2HD LYS 42 2HD LYS 42 -1.070 -8.673 0.244 137 1HE LYS 42 1HE LYS 42 -1.564 -9.973 2.381 138 2HE LYS 42 2HE LYS 42 -2.921 -9.588 1.326 139 1HZ LYS 42 1HZ LYS 42 -3.039 -11.778 0.573 140 2HZ LYS 42 2HZ LYS 42 -2.781 -11.930 2.232 141 3HZ LYS 42 3HZ LYS 42 -1.505 -12.180 1.157 142 H TYR 43 H TYR 43 1.807 -7.701 -2.868 143 HA TYR 43 HA TYR 43 2.502 -8.853 -5.415 144 1HB TYR 43 1HB TYR 43 2.383 -6.132 -4.234 145 2HB TYR 43 2HB TYR 43 3.428 -6.372 -5.628 146 HD1 TYR 43 HD1 TYR 43 2.397 -5.524 -7.523 147 HD2 TYR 43 HD2 TYR 43 0.055 -7.700 -4.715 148 HE1 TYR 43 HE1 TYR 43 0.447 -5.342 -9.008 149 HE2 TYR 43 HE2 TYR 43 -1.901 -7.518 -6.195 150 HH TYR 43 HH TYR 43 -1.644 -6.395 -9.444 151 H MET 44 H MET 44 4.122 -7.926 -2.504 152 HA MET 44 HA MET 44 6.736 -8.450 -3.759 153 1HB MET 44 1HB MET 44 7.730 -7.160 -1.961 154 2HB MET 44 2HB MET 44 6.457 -6.218 -2.729 155 1HG MET 44 1HG MET 44 4.944 -7.025 -0.869 156 2HG MET 44 2HG MET 44 6.401 -7.597 -0.066 157 1HE MET 44 1HE MET 44 5.843 -3.163 -1.215 158 2HE MET 44 2HE MET 44 4.814 -4.466 -1.812 159 3HE MET 44 3HE MET 44 6.503 -4.376 -2.312 160 H GLY 45 H GLY 45 4.693 -9.155 -0.989 161 1HA GLY 45 1HA GLY 45 4.567 -11.095 0.254 162 2HA GLY 45 2HA GLY 45 5.900 -11.746 -0.689 163 H GLY 46 H GLY 46 5.613 -8.809 1.239 164 1HA GLY 46 1HA GLY 46 6.859 -9.461 3.545 165 2HA GLY 46 2HA GLY 46 8.190 -9.256 2.416 166 H LEU 47 H LEU 47 6.133 -7.698 4.553 167 HA LEU 47 HA LEU 47 5.612 -5.215 3.603 168 1HB LEU 47 1HB LEU 47 5.181 -5.970 5.921 169 2HB LEU 47 2HB LEU 47 6.881 -5.788 6.278 170 HG LEU 47 HG LEU 47 6.784 -3.437 6.150 171 1HD1 LEU 47 1HD1 LEU 47 4.749 -2.225 5.423 172 1HD2 LEU 47 1HD2 LEU 47 5.890 -4.238 8.216 173 H GLN 48 H GLN 48 8.677 -6.444 4.738 174 HA GLN 48 HA GLN 48 10.297 -4.266 4.695 175 1HB GLN 48 1HB GLN 48 11.014 -6.600 5.186 176 2HB GLN 48 2HB GLN 48 10.989 -6.929 3.460 177 1HG GLN 48 1HG GLN 48 13.232 -6.404 4.536 178 2HG GLN 48 2HG GLN 48 12.816 -5.564 3.042 179 1HE2 GLN 48 1HE2 GLN 48 14.118 -3.824 3.386 180 H GLY 49 H GLY 49 9.537 -6.297 1.873 181 1HA GLY 49 1HA GLY 49 10.910 -4.914 -0.077 182 2HA GLY 49 2HA GLY 49 9.388 -5.752 -0.355 183 H LEU 50 H LEU 50 7.945 -4.132 1.514 184 HA LEU 50 HA LEU 50 7.329 -1.918 -0.228 185 1HB LEU 50 1HB LEU 50 5.392 -2.819 0.583 186 2HB LEU 50 2HB LEU 50 6.092 -3.214 2.135 187 HG LEU 50 HG LEU 50 5.966 -0.883 2.807 188 1HD1 LEU 50 1HD1 LEU 50 4.642 -0.402 0.154 189 1HD2 LEU 50 1HD2 LEU 50 3.628 -0.763 3.141 190 H ARG 51 H ARG 51 8.591 -2.446 2.978 191 HA ARG 51 HA ARG 51 8.612 0.039 4.046 192 1HB ARG 51 1HB ARG 51 10.782 -2.043 4.173 193 2HB ARG 51 2HB ARG 51 10.734 -0.611 5.197 194 1HG ARG 51 1HG ARG 51 8.261 -2.146 5.176 195 2HG ARG 51 2HG ARG 51 9.644 -3.017 5.832 196 1HD ARG 51 1HD ARG 51 8.587 -0.343 6.721 197 2HD ARG 51 2HD ARG 51 8.543 -1.855 7.627 198 HE ARG 51 HE ARG 51 11.125 -1.629 7.386 199 1HH1 ARG 51 1HH1 ARG 51 8.801 0.882 8.020 200 1HH2 ARG 51 1HH2 ARG 51 12.646 -0.266 8.412 201 H ASN 52 H ASN 52 10.929 -1.285 1.802 202 HA ASN 52 HA ASN 52 12.394 1.193 1.572 203 1HB ASN 52 1HB ASN 52 13.549 0.011 -0.308 204 2HB ASN 52 2HB ASN 52 13.612 -0.868 1.223 205 1HD2 ASN 52 1HD2 ASN 52 12.266 -2.685 1.496 206 H ALA 53 H ALA 53 9.781 -0.419 0.037 207 HA ALA 53 HA ALA 53 9.792 1.026 -2.408 208 1HB ALA 53 1HB ALA 53 7.415 -0.320 -1.156 209 2HB ALA 53 2HB ALA 53 8.688 -1.212 -1.989 210 3HB ALA 53 3HB ALA 53 7.720 -0.025 -2.866 211 H SER 54 H SER 54 8.851 2.899 -2.924 212 HA SER 54 HA SER 54 7.405 4.286 -0.798 213 1HB SER 54 1HB SER 54 8.653 5.612 -3.202 214 2HB SER 54 2HB SER 54 8.233 6.333 -1.652 215 HG SER 54 HG SER 54 10.093 4.257 -1.613 216 H VAL 55 H VAL 55 5.952 6.064 -2.154 217 HA VAL 55 HA VAL 55 3.772 4.685 -3.071 218 HB VAL 55 HB VAL 55 4.787 7.435 -3.633 219 1HG1 VAL 55 1HG1 VAL 55 2.344 6.169 -4.867 220 1HG2 VAL 55 1HG2 VAL 55 3.418 6.406 -1.559 221 H GLU 56 H GLU 56 6.549 5.899 -4.800 222 HA GLU 56 HA GLU 56 5.951 5.517 -7.410 223 1HB GLU 56 1HB GLU 56 8.343 4.978 -7.738 224 2HB GLU 56 2HB GLU 56 8.101 6.360 -6.690 225 1HG GLU 56 1HG GLU 56 8.450 4.905 -4.739 226 2HG GLU 56 2HG GLU 56 8.762 3.553 -5.822 227 H GLU 57 H GLU 57 7.042 3.021 -5.140 228 HA GLU 57 HA GLU 57 6.689 0.935 -7.109 229 1HB GLU 57 1HB GLU 57 8.073 1.253 -4.577 230 2HB GLU 57 2HB GLU 57 7.138 -0.221 -4.624 231 1HG GLU 57 1HG GLU 57 9.417 0.638 -6.319 232 2HG GLU 57 2HG GLU 57 9.195 -0.845 -5.403 233 H ILE 58 H ILE 58 5.374 1.836 -3.956 234 HA ILE 58 HA ILE 58 3.538 -0.160 -3.603 235 HB ILE 58 HB ILE 58 3.340 2.761 -2.898 236 2HG1 ILE 58 2HG1 ILE 58 5.128 1.054 -1.957 237 1HG2 ILE 58 1HG2 ILE 58 1.598 2.105 -1.325 238 1HD1 ILE 58 1HD1 ILE 58 4.650 3.404 -1.125 239 H ALA 59 H ALA 59 3.465 2.572 -5.711 240 HA ALA 59 HA ALA 59 0.693 2.349 -6.381 241 1HB ALA 59 1HB ALA 59 2.895 3.814 -7.826 242 2HB ALA 59 2HB ALA 59 1.911 4.477 -6.522 243 3HB ALA 59 3HB ALA 59 1.160 4.034 -8.055 244 H LYS 60 H LYS 60 2.185 -0.085 -6.633 245 HA LYS 60 HA LYS 60 1.961 -0.535 -9.536 246 1HB LYS 60 1HB LYS 60 3.953 -1.543 -7.540 247 2HB LYS 60 2HB LYS 60 3.530 -2.562 -8.904 248 1HG LYS 60 1HG LYS 60 5.578 -1.100 -9.145 249 2HG LYS 60 2HG LYS 60 4.400 -1.041 -10.457 250 1HD LYS 60 1HD LYS 60 3.462 1.012 -9.477 251 2HD LYS 60 2HD LYS 60 4.690 0.959 -8.215 252 1HE LYS 60 1HE LYS 60 5.311 1.078 -11.152 253 2HE LYS 60 2HE LYS 60 5.183 2.500 -10.120 254 1HZ LYS 60 1HZ LYS 60 7.013 1.809 -8.856 255 2HZ LYS 60 2HZ LYS 60 7.480 1.623 -10.464 256 3HZ LYS 60 3HZ LYS 60 7.042 0.269 -9.549 257 H VAL 61 H VAL 61 0.220 -0.768 -6.997 258 HA VAL 61 HA VAL 61 -0.575 -3.585 -7.352 259 HB VAL 61 HB VAL 61 -1.868 -2.568 -5.096 260 1HG1 VAL 61 1HG1 VAL 61 0.585 -4.285 -5.398 261 1HG2 VAL 61 1HG2 VAL 61 -0.233 -1.512 -3.749 262 HA PRO 62 HA PRO 62 -4.746 -2.607 -8.597 263 1HB PRO 62 1HB PRO 62 -6.229 -2.751 -6.199 264 2HB PRO 62 2HB PRO 62 -5.934 -4.083 -7.315 265 1HG PRO 62 1HG PRO 62 -4.476 -3.336 -4.818 266 2HG PRO 62 2HG PRO 62 -4.893 -4.949 -5.425 267 1HD PRO 62 1HD PRO 62 -2.436 -4.058 -5.657 268 2HD PRO 62 2HD PRO 62 -3.180 -4.907 -7.021 269 H GLY 63 H GLY 63 -6.777 -1.180 -7.115 270 1HA GLY 63 1HA GLY 63 -6.638 1.350 -7.623 271 2HA GLY 63 2HA GLY 63 -7.152 0.883 -6.011 272 H ILE 64 H ILE 64 -4.542 -0.037 -5.154 273 HA ILE 64 HA ILE 64 -3.506 2.236 -3.980 274 HB ILE 64 HB ILE 64 -1.736 -0.077 -4.669 275 2HG1 ILE 64 2HG1 ILE 64 -3.691 -1.234 -4.093 276 1HG2 ILE 64 1HG2 ILE 64 -0.673 0.386 -2.651 277 1HD1 ILE 64 1HD1 ILE 64 -2.184 -0.885 -1.514 278 H SER 65 H SER 65 -3.394 3.777 -5.723 279 HA SER 65 HA SER 65 -0.992 3.434 -7.388 280 1HB SER 65 1HB SER 65 -3.627 4.110 -8.104 281 2HB SER 65 2HB SER 65 -2.687 5.590 -8.265 282 HG SER 65 HG SER 65 -2.087 3.069 -9.450 283 H GLN 66 H GLN 66 -2.959 5.963 -5.852 284 HA GLN 66 HA GLN 66 -0.466 7.191 -4.910 285 1HB GLN 66 1HB GLN 66 -1.558 8.332 -6.966 286 2HB GLN 66 2HB GLN 66 -2.768 8.886 -5.819 287 1HG GLN 66 1HG GLN 66 -1.109 10.588 -6.113 288 2HG GLN 66 2HG GLN 66 -0.993 9.937 -4.479 289 1HE2 GLN 66 1HE2 GLN 66 1.131 10.633 -4.278 290 H GLY 67 H GLY 67 -4.031 7.428 -4.642 291 1HA GLY 67 1HA GLY 67 -4.154 8.563 -2.130 292 2HA GLY 67 2HA GLY 67 -5.338 7.410 -2.739 293 H LEU 68 H LEU 68 -4.329 5.092 -2.796 294 HA LEU 68 HA LEU 68 -3.859 4.359 -0.086 295 1HB LEU 68 1HB LEU 68 -4.949 3.095 -2.197 296 2HB LEU 68 2HB LEU 68 -3.327 2.449 -2.294 297 HG LEU 68 HG LEU 68 -4.684 0.908 -1.062 298 1HD1 LEU 68 1HD1 LEU 68 -2.399 1.191 -0.316 299 1HD2 LEU 68 1HD2 LEU 68 -5.931 1.482 0.885 300 H ALA 69 H ALA 69 -1.931 4.329 -3.024 301 HA ALA 69 HA ALA 69 0.363 3.149 -2.152 302 1HB ALA 69 1HB ALA 69 -0.027 4.022 -4.453 303 2HB ALA 69 2HB ALA 69 1.579 4.372 -3.815 304 3HB ALA 69 3HB ALA 69 0.348 5.637 -3.851 305 H GLU 70 H GLU 70 -0.410 6.589 -1.903 306 HA GLU 70 HA GLU 70 1.796 7.297 -0.338 307 1HB GLU 70 1HB GLU 70 -0.959 8.524 -0.455 308 2HB GLU 70 2HB GLU 70 0.421 9.266 0.336 309 1HG GLU 70 1HG GLU 70 1.494 8.957 -2.054 310 2HG GLU 70 2HG GLU 70 -0.197 8.959 -2.542 311 H LYS 71 H LYS 71 -1.465 6.247 0.461 312 HA LYS 71 HA LYS 71 -1.406 6.593 3.211 313 1HB LYS 71 1HB LYS 71 -2.847 4.685 1.393 314 2HB LYS 71 2HB LYS 71 -3.087 4.644 3.123 315 1HG LYS 71 1HG LYS 71 -4.452 6.205 1.311 316 2HG LYS 71 2HG LYS 71 -4.451 6.401 3.065 317 1HD LYS 71 1HD LYS 71 -2.794 8.069 2.989 318 2HD LYS 71 2HD LYS 71 -2.316 7.636 1.351 319 1HE LYS 71 1HE LYS 71 -3.506 9.617 1.104 320 2HE LYS 71 2HE LYS 71 -4.647 8.352 0.654 321 1HZ LYS 71 1HZ LYS 71 -5.730 8.553 2.732 322 2HZ LYS 71 2HZ LYS 71 -5.543 10.118 2.141 323 3HZ LYS 71 3HZ LYS 71 -4.528 9.553 3.360 324 H ILE 72 H ILE 72 -0.147 4.076 1.189 325 HA ILE 72 HA ILE 72 0.585 2.370 3.392 326 HB ILE 72 HB ILE 72 1.513 2.256 0.522 327 2HG1 ILE 72 2HG1 ILE 72 -0.819 2.126 0.404 328 1HG2 ILE 72 1HG2 ILE 72 1.254 -0.132 2.266 329 1HD1 ILE 72 1HD1 ILE 72 0.217 -0.676 0.661 330 H PHE 73 H PHE 73 2.156 4.542 1.137 331 HA PHE 73 HA PHE 73 4.810 4.097 1.900 332 1HB PHE 73 1HB PHE 73 4.228 5.348 -0.109 333 2HB PHE 73 2HB PHE 73 3.520 6.629 0.873 334 HD1 PHE 73 HD1 PHE 73 4.790 8.526 1.002 335 HD2 PHE 73 HD2 PHE 73 6.739 4.751 0.798 336 HE1 PHE 73 HE1 PHE 73 6.974 9.656 1.092 337 HE2 PHE 73 HE2 PHE 73 8.929 5.870 0.892 338 HZ PHE 73 HZ PHE 73 9.050 8.323 1.039 339 H TRP 74 H TRP 74 2.400 6.339 3.156 340 HA TRP 74 HA TRP 74 4.004 7.818 4.856 341 1HB TRP 74 1HB TRP 74 1.127 7.030 5.307 342 2HB TRP 74 2HB TRP 74 1.968 8.366 6.085 343 HD1 TRP 74 HD1 TRP 74 -0.632 8.284 3.894 344 HE1 TRP 74 HE1 TRP 74 -0.538 10.023 1.994 345 HE3 TRP 74 HE3 TRP 74 4.354 9.412 4.071 346 HZ2 TRP 74 HZ2 TRP 74 1.395 11.646 0.737 347 HZ3 TRP 74 HZ3 TRP 74 5.246 11.063 2.483 348 HH2 TRP 74 HH2 TRP 74 3.797 12.158 0.852 349 H SER 75 H SER 75 3.228 4.531 5.068 350 HA SER 75 HA SER 75 3.465 4.380 7.937 351 1HB SER 75 1HB SER 75 3.527 2.087 5.981 352 2HB SER 75 2HB SER 75 3.080 2.045 7.687 353 HG SER 75 HG SER 75 1.499 3.811 6.614 354 H LEU 76 H LEU 76 5.224 2.463 5.575 355 HA LEU 76 HA LEU 76 7.478 2.063 7.196 356 1HB LEU 76 1HB LEU 76 8.444 1.865 4.629 357 2HB LEU 76 2HB LEU 76 7.780 0.556 5.595 358 HG LEU 76 HG LEU 76 6.901 0.774 3.248 359 1HD1 LEU 76 1HD1 LEU 76 5.215 0.621 5.698 360 1HD2 LEU 76 1HD2 LEU 76 6.379 2.858 2.644 361 H LYS 77 H LYS 77 7.595 3.758 4.089 362 HA LYS 77 HA LYS 77 8.568 5.705 3.501 363 1HB LYS 77 1HB LYS 77 7.795 6.150 5.991 364 2HB LYS 77 2HB LYS 77 9.540 6.260 6.221 365 1HG LYS 77 1HG LYS 77 8.700 8.454 5.779 366 2HG LYS 77 2HG LYS 77 9.632 7.893 4.383 367 1HD LYS 77 1HD LYS 77 7.567 8.928 3.647 368 2HD LYS 77 2HD LYS 77 7.573 7.195 3.289 369 1HE LYS 77 1HE LYS 77 5.428 7.985 4.181 370 2HE LYS 77 2HE LYS 77 6.175 6.738 5.174 371 1HZ LYS 77 1HZ LYS 77 7.111 8.887 6.383 372 2HZ LYS 77 2HZ LYS 77 5.627 8.201 6.794 373 3HZ LYS 77 3HZ LYS 77 5.680 9.547 5.778 374 H HIS 78 H HIS 78 10.142 4.835 2.302 375 HA HIS 78 HA HIS 78 12.324 3.354 3.055 376 1HB HIS 78 1HB HIS 78 11.648 3.762 0.711 377 2HB HIS 78 2HB HIS 78 12.241 5.415 0.839 378 HD1 HIS 78 HD1 HIS 78 13.241 2.395 -0.564 379 HD2 HIS 78 HD2 HIS 78 15.187 5.185 1.819 380 HE1 HIS 78 HE1 HIS 78 15.697 1.980 -0.905 381 HE2 HIS 78 HE2 HIS 78 16.851 3.768 0.437 Start of MODEL 10 1 H THR 23 H THR 23 4.146 4.545 12.451 2 HA THR 23 HA THR 23 2.232 6.051 14.114 3 HB THR 23 HB THR 23 3.508 6.897 11.503 4 HG1 THR 23 HG1 THR 23 5.157 7.394 12.715 5 1HG2 THR 23 1HG2 THR 23 1.818 8.404 13.506 6 H SER 24 H SER 24 2.310 3.595 11.976 7 HA SER 24 HA SER 24 -0.386 4.202 11.030 8 1HB SER 24 1HB SER 24 1.563 2.840 9.212 9 2HB SER 24 2HB SER 24 0.094 3.724 8.811 10 HG SER 24 HG SER 24 1.192 5.522 8.758 11 H SER 25 H SER 25 -1.762 2.536 11.184 12 HA SER 25 HA SER 25 -1.011 0.145 12.504 13 1HB SER 25 1HB SER 25 -3.503 0.182 10.908 14 2HB SER 25 2HB SER 25 -3.270 -0.206 12.612 15 HG SER 25 HG SER 25 -2.972 2.092 12.944 16 H LEU 26 H LEU 26 0.779 -0.296 10.939 17 HA LEU 26 HA LEU 26 0.635 -0.869 8.303 18 1HB LEU 26 1HB LEU 26 2.256 -1.956 10.529 19 2HB LEU 26 2HB LEU 26 2.294 -2.846 9.020 20 HG LEU 26 HG LEU 26 4.126 -1.123 9.394 21 1HD1 LEU 26 1HD1 LEU 26 3.423 -2.163 7.206 22 1HD2 LEU 26 1HD2 LEU 26 2.801 0.680 10.294 23 H GLU 27 H GLU 27 -1.222 -2.456 10.597 24 HA GLU 27 HA GLU 27 -1.467 -4.852 8.933 25 1HB GLU 27 1HB GLU 27 -2.789 -5.759 10.785 26 2HB GLU 27 2HB GLU 27 -1.201 -5.217 11.300 27 1HG GLU 27 1HG GLU 27 -3.473 -3.335 11.527 28 2HG GLU 27 2HG GLU 27 -3.333 -4.658 12.682 29 H THR 28 H THR 28 -3.160 -2.027 9.970 30 HA THR 28 HA THR 28 -5.141 -2.370 7.946 31 HB THR 28 HB THR 28 -6.102 -2.152 10.791 32 HG1 THR 28 HG1 THR 28 -5.278 -4.323 9.343 33 1HG2 THR 28 1HG2 THR 28 -8.206 -3.026 9.532 34 H ILE 29 H ILE 29 -3.187 -0.570 8.177 35 HA ILE 29 HA ILE 29 -3.575 1.808 9.489 36 HB ILE 29 HB ILE 29 -2.904 1.952 6.594 37 2HG1 ILE 29 2HG1 ILE 29 -1.717 -0.044 7.208 38 1HG2 ILE 29 1HG2 ILE 29 -1.249 3.568 7.384 39 1HD1 ILE 29 1HD1 ILE 29 0.583 0.544 7.008 40 H GLU 30 H GLU 30 -4.456 3.833 8.738 41 HA GLU 30 HA GLU 30 -7.155 3.603 7.982 42 1HB GLU 30 1HB GLU 30 -7.078 6.109 7.945 43 2HB GLU 30 2HB GLU 30 -6.493 5.377 9.432 44 1HG GLU 30 1HG GLU 30 -4.169 5.566 8.158 45 2HG GLU 30 2HG GLU 30 -5.033 6.873 7.345 46 H GLY 31 H GLY 31 -5.124 2.692 6.005 47 1HA GLY 31 1HA GLY 31 -6.398 3.897 3.673 48 2HA GLY 31 2HA GLY 31 -4.643 4.048 3.770 49 H VAL 32 H VAL 32 -3.847 1.848 4.849 50 HA VAL 32 HA VAL 32 -4.715 -0.286 3.038 51 HB VAL 32 HB VAL 32 -2.483 -0.250 2.561 52 1HG1 VAL 32 1HG1 VAL 32 -2.162 1.834 3.868 53 1HG2 VAL 32 1HG2 VAL 32 -2.475 -1.563 5.253 54 H GLY 33 H GLY 33 -5.738 -1.865 3.914 55 1HA GLY 33 1HA GLY 33 -5.152 -3.109 6.352 56 2HA GLY 33 2HA GLY 33 -6.467 -1.969 6.615 57 HA PRO 34 HA PRO 34 -9.609 -4.318 4.500 58 1HB PRO 34 1HB PRO 34 -9.326 -3.807 1.742 59 2HB PRO 34 2HB PRO 34 -10.361 -2.917 2.854 60 1HG PRO 34 1HG PRO 34 -7.612 -2.249 1.919 61 2HG PRO 34 2HG PRO 34 -9.010 -1.180 2.170 62 1HD PRO 34 1HD PRO 34 -7.093 -1.230 3.967 63 2HD PRO 34 2HD PRO 34 -8.783 -1.257 4.507 64 H LYS 35 H LYS 35 -7.690 -4.373 1.627 65 HA LYS 35 HA LYS 35 -6.603 -7.021 2.332 66 1HB LYS 35 1HB LYS 35 -7.317 -6.148 -0.473 67 2HB LYS 35 2HB LYS 35 -6.918 -7.766 0.084 68 1HG LYS 35 1HG LYS 35 -9.427 -6.216 0.670 69 2HG LYS 35 2HG LYS 35 -9.268 -7.652 -0.341 70 1HD LYS 35 1HD LYS 35 -8.720 -7.542 2.621 71 2HD LYS 35 2HD LYS 35 -10.202 -8.152 1.888 72 1HE LYS 35 1HE LYS 35 -9.090 -9.986 0.917 73 2HE LYS 35 2HE LYS 35 -7.501 -9.275 1.200 74 1HZ LYS 35 1HZ LYS 35 -7.684 -9.678 3.498 75 2HZ LYS 35 2HZ LYS 35 -8.166 -11.108 2.745 76 3HZ LYS 35 3HZ LYS 35 -9.322 -10.063 3.390 77 H ARG 36 H ARG 36 -6.117 -3.860 1.564 78 HA ARG 36 HA ARG 36 -4.106 -3.543 -0.161 79 1HB ARG 36 1HB ARG 36 -5.369 -1.992 1.611 80 2HB ARG 36 2HB ARG 36 -3.819 -2.133 2.426 81 1HG ARG 36 1HG ARG 36 -3.316 -0.361 1.187 82 2HG ARG 36 2HG ARG 36 -3.009 -1.572 -0.049 83 1HD ARG 36 1HD ARG 36 -4.372 0.182 -0.962 84 2HD ARG 36 2HD ARG 36 -5.326 -1.294 -0.846 85 HE ARG 36 HE ARG 36 -5.506 0.734 1.268 86 1HH1 ARG 36 1HH1 ARG 36 -7.000 -1.029 -1.359 87 1HH2 ARG 36 1HH2 ARG 36 -7.621 1.380 1.818 88 H ARG 37 H ARG 37 -3.481 -4.069 3.339 89 HA ARG 37 HA ARG 37 -0.733 -4.210 3.152 90 1HB ARG 37 1HB ARG 37 -1.726 -6.240 4.977 91 2HB ARG 37 2HB ARG 37 -0.778 -4.801 5.316 92 1HG ARG 37 1HG ARG 37 -2.692 -4.450 6.521 93 2HG ARG 37 2HG ARG 37 -3.024 -3.554 5.037 94 1HD ARG 37 1HD ARG 37 -4.916 -4.983 5.816 95 2HD ARG 37 2HD ARG 37 -4.365 -5.335 4.177 96 HE ARG 37 HE ARG 37 -2.971 -7.064 5.777 97 1HH1 ARG 37 1HH1 ARG 37 -6.372 -6.407 5.243 98 1HH2 ARG 37 1HH2 ARG 37 -3.620 -9.189 6.252 99 H GLN 38 H GLN 38 -3.145 -6.725 2.688 100 HA GLN 38 HA GLN 38 -1.328 -8.822 2.180 101 1HB GLN 38 1HB GLN 38 -4.242 -8.386 1.562 102 2HB GLN 38 2HB GLN 38 -3.395 -9.819 0.988 103 1HG GLN 38 1HG GLN 38 -3.116 -10.670 3.088 104 2HG GLN 38 2HG GLN 38 -3.199 -9.088 3.856 105 1HE2 GLN 38 1HE2 GLN 38 -4.607 -11.553 4.486 106 H MET 39 H MET 39 -2.951 -6.476 0.121 107 HA MET 39 HA MET 39 -2.238 -7.513 -2.359 108 1HB MET 39 1HB MET 39 -2.535 -4.615 -1.524 109 2HB MET 39 2HB MET 39 -2.517 -5.194 -3.186 110 1HG MET 39 1HG MET 39 -4.571 -6.307 -2.927 111 2HG MET 39 2HG MET 39 -4.520 -6.158 -1.177 112 1HE MET 39 1HE MET 39 -6.557 -5.283 -3.825 113 2HE MET 39 2HE MET 39 -7.416 -3.906 -3.131 114 3HE MET 39 3HE MET 39 -7.248 -5.398 -2.206 115 H LEU 40 H LEU 40 -0.619 -4.891 -0.555 116 HA LEU 40 HA LEU 40 1.647 -4.743 -2.140 117 1HB LEU 40 1HB LEU 40 1.326 -4.274 0.822 118 2HB LEU 40 2HB LEU 40 2.767 -3.854 -0.086 119 HG LEU 40 HG LEU 40 1.455 -1.885 0.183 120 1HD1 LEU 40 1HD1 LEU 40 2.543 -2.081 -1.962 121 1HD2 LEU 40 1HD2 LEU 40 -0.842 -3.352 -1.077 122 H LEU 41 H LEU 41 1.287 -6.479 0.939 123 HA LEU 41 HA LEU 41 3.734 -7.779 0.930 124 1HB LEU 41 1HB LEU 41 1.091 -8.316 2.188 125 2HB LEU 41 2HB LEU 41 2.314 -9.571 2.252 126 HG LEU 41 HG LEU 41 2.081 -7.781 4.177 127 1HD1 LEU 41 1HD1 LEU 41 3.705 -9.610 4.111 128 1HD2 LEU 41 1HD2 LEU 41 3.564 -5.900 3.892 129 H LYS 42 H LYS 42 0.769 -8.591 -0.720 130 HA LYS 42 HA LYS 42 1.766 -11.181 -1.523 131 1HB LYS 42 1HB LYS 42 -0.742 -9.646 -2.202 132 2HB LYS 42 2HB LYS 42 -0.353 -11.204 -2.916 133 1HG LYS 42 1HG LYS 42 -1.811 -10.854 -0.653 134 2HG LYS 42 2HG LYS 42 -0.957 -12.333 -1.086 135 1HD LYS 42 1HD LYS 42 0.946 -11.680 0.247 136 2HD LYS 42 2HD LYS 42 0.216 -10.113 0.586 137 1HE LYS 42 1HE LYS 42 -1.561 -11.151 1.831 138 2HE LYS 42 2HE LYS 42 -0.980 -12.756 1.393 139 1HZ LYS 42 1HZ LYS 42 0.776 -10.886 2.841 140 2HZ LYS 42 2HZ LYS 42 0.827 -12.571 2.793 141 3HZ LYS 42 3HZ LYS 42 -0.377 -11.789 3.678 142 H TYR 43 H TYR 43 1.852 -7.973 -2.622 143 HA TYR 43 HA TYR 43 2.443 -8.646 -5.375 144 1HB TYR 43 1HB TYR 43 1.846 -6.246 -3.829 145 2HB TYR 43 2HB TYR 43 3.157 -5.997 -4.973 146 HD1 TYR 43 HD1 TYR 43 2.756 -5.944 -7.317 147 HD2 TYR 43 HD2 TYR 43 -0.406 -6.895 -4.641 148 HE1 TYR 43 HE1 TYR 43 1.139 -5.655 -9.142 149 HE2 TYR 43 HE2 TYR 43 -2.035 -6.608 -6.465 150 HH TYR 43 HH TYR 43 -1.275 -6.597 -9.628 151 H MET 44 H MET 44 4.119 -7.841 -2.437 152 HA MET 44 HA MET 44 6.700 -7.916 -3.865 153 1HB MET 44 1HB MET 44 7.615 -6.691 -1.970 154 2HB MET 44 2HB MET 44 6.230 -5.839 -2.641 155 1HG MET 44 1HG MET 44 4.847 -6.992 -0.861 156 2HG MET 44 2HG MET 44 6.373 -7.451 -0.113 157 1HE MET 44 1HE MET 44 5.964 -4.117 -2.097 158 2HE MET 44 2HE MET 44 5.296 -3.031 -0.879 159 3HE MET 44 3HE MET 44 4.326 -4.369 -1.496 160 H GLY 45 H GLY 45 4.849 -9.230 -1.227 161 1HA GLY 45 1HA GLY 45 5.061 -11.312 -0.240 162 2HA GLY 45 2HA GLY 45 6.548 -11.557 -1.147 163 H GLY 46 H GLY 46 5.686 -8.877 0.982 164 1HA GLY 46 1HA GLY 46 6.755 -9.523 3.357 165 2HA GLY 46 2HA GLY 46 8.182 -9.215 2.377 166 H LEU 47 H LEU 47 6.093 -7.823 4.494 167 HA LEU 47 HA LEU 47 5.392 -5.367 3.541 168 1HB LEU 47 1HB LEU 47 4.806 -6.065 5.750 169 2HB LEU 47 2HB LEU 47 6.478 -6.073 6.254 170 HG LEU 47 HG LEU 47 6.592 -3.658 6.080 171 1HD1 LEU 47 1HD1 LEU 47 5.142 -3.215 4.248 172 1HD2 LEU 47 1HD2 LEU 47 5.820 -4.660 8.180 173 H GLN 48 H GLN 48 8.579 -6.411 4.620 174 HA GLN 48 HA GLN 48 9.908 -4.019 4.749 175 1HB GLN 48 1HB GLN 48 10.851 -6.370 5.047 176 2HB GLN 48 2HB GLN 48 11.026 -6.402 3.298 177 1HG GLN 48 1HG GLN 48 13.123 -5.794 4.232 178 2HG GLN 48 2HG GLN 48 12.434 -4.369 3.456 179 1HE2 GLN 48 1HE2 GLN 48 14.432 -4.569 5.539 180 H GLY 49 H GLY 49 9.128 -5.960 1.907 181 1HA GLY 49 1HA GLY 49 10.395 -4.404 -0.051 182 2HA GLY 49 2HA GLY 49 8.943 -5.373 -0.318 183 H LEU 50 H LEU 50 7.452 -4.025 1.665 184 HA LEU 50 HA LEU 50 6.504 -1.797 0.106 185 1HB LEU 50 1HB LEU 50 4.803 -3.124 0.956 186 2HB LEU 50 2HB LEU 50 5.571 -3.302 2.511 187 HG LEU 50 HG LEU 50 4.982 -1.084 3.139 188 1HD1 LEU 50 1HD1 LEU 50 3.513 -0.657 0.572 189 1HD2 LEU 50 1HD2 LEU 50 2.573 -2.339 1.847 190 H ARG 51 H ARG 51 8.336 -2.428 2.893 191 HA ARG 51 HA ARG 51 8.161 0.102 4.145 192 1HB ARG 51 1HB ARG 51 10.197 -2.099 4.330 193 2HB ARG 51 2HB ARG 51 10.237 -0.655 5.338 194 1HG ARG 51 1HG ARG 51 7.628 -1.741 5.408 195 2HG ARG 51 2HG ARG 51 8.773 -3.030 5.748 196 1HD ARG 51 1HD ARG 51 8.590 -0.370 7.146 197 2HD ARG 51 2HD ARG 51 8.125 -1.934 7.807 198 HE ARG 51 HE ARG 51 10.626 -2.457 7.376 199 1HH1 ARG 51 1HH1 ARG 51 9.308 0.606 8.446 200 1HH2 ARG 51 1HH2 ARG 51 12.492 -1.876 8.565 201 H ASN 52 H ASN 52 10.295 -1.332 1.813 202 HA ASN 52 HA ASN 52 11.858 1.115 1.606 203 1HB ASN 52 1HB ASN 52 12.960 -0.175 -0.339 204 2HB ASN 52 2HB ASN 52 13.234 -0.764 1.296 205 1HD2 ASN 52 1HD2 ASN 52 12.173 -2.617 1.986 206 H ALA 53 H ALA 53 9.481 -0.740 -0.166 207 HA ALA 53 HA ALA 53 9.407 0.790 -2.514 208 1HB ALA 53 1HB ALA 53 8.233 -1.256 -2.565 209 2HB ALA 53 2HB ALA 53 6.977 -0.016 -2.607 210 3HB ALA 53 3HB ALA 53 7.327 -0.865 -1.104 211 H SER 54 H SER 54 8.647 2.775 -2.915 212 HA SER 54 HA SER 54 7.256 4.128 -0.725 213 1HB SER 54 1HB SER 54 8.652 5.510 -3.019 214 2HB SER 54 2HB SER 54 8.254 6.150 -1.424 215 HG SER 54 HG SER 54 10.130 4.065 -1.923 216 H VAL 55 H VAL 55 6.059 6.161 -2.078 217 HA VAL 55 HA VAL 55 3.738 5.041 -3.021 218 HB VAL 55 HB VAL 55 5.066 7.664 -3.561 219 1HG1 VAL 55 1HG1 VAL 55 2.494 6.736 -4.816 220 1HG2 VAL 55 1HG2 VAL 55 2.305 7.323 -2.527 221 H GLU 56 H GLU 56 6.669 5.904 -4.705 222 HA GLU 56 HA GLU 56 5.972 5.518 -7.318 223 1HB GLU 56 1HB GLU 56 8.349 4.761 -7.629 224 2HB GLU 56 2HB GLU 56 8.144 6.304 -6.834 225 1HG GLU 56 1HG GLU 56 8.544 5.251 -4.681 226 2HG GLU 56 2HG GLU 56 8.732 3.687 -5.476 227 H GLU 57 H GLU 57 7.111 3.039 -5.051 228 HA GLU 57 HA GLU 57 6.669 0.931 -6.935 229 1HB GLU 57 1HB GLU 57 7.853 1.262 -4.263 230 2HB GLU 57 2HB GLU 57 7.078 -0.273 -4.563 231 1HG GLU 57 1HG GLU 57 9.364 0.970 -6.034 232 2HG GLU 57 2HG GLU 57 9.335 -0.519 -5.099 233 H ILE 58 H ILE 58 5.364 1.876 -3.792 234 HA ILE 58 HA ILE 58 3.425 -0.033 -3.498 235 HB ILE 58 HB ILE 58 3.438 2.865 -2.692 236 2HG1 ILE 58 2HG1 ILE 58 4.990 0.872 -1.759 237 1HG2 ILE 58 1HG2 ILE 58 1.139 2.029 -2.909 238 1HD1 ILE 58 1HD1 ILE 58 3.698 2.962 -0.024 239 H ALA 59 H ALA 59 3.525 2.752 -5.548 240 HA ALA 59 HA ALA 59 0.737 2.696 -6.222 241 1HB ALA 59 1HB ALA 59 1.966 4.772 -6.350 242 2HB ALA 59 2HB ALA 59 1.367 4.334 -7.949 243 3HB ALA 59 3HB ALA 59 3.064 4.086 -7.545 244 H LYS 60 H LYS 60 2.083 0.169 -6.528 245 HA LYS 60 HA LYS 60 1.679 -0.247 -9.422 246 1HB LYS 60 1HB LYS 60 3.859 -1.216 -7.632 247 2HB LYS 60 2HB LYS 60 3.301 -2.282 -8.908 248 1HG LYS 60 1HG LYS 60 5.213 -1.060 -9.673 249 2HG LYS 60 2HG LYS 60 3.787 -0.501 -10.549 250 1HD LYS 60 1HD LYS 60 3.744 1.526 -9.425 251 2HD LYS 60 2HD LYS 60 4.714 0.918 -8.083 252 1HE LYS 60 1HE LYS 60 5.780 2.497 -9.872 253 2HE LYS 60 2HE LYS 60 6.689 1.139 -9.220 254 1HZ LYS 60 1HZ LYS 60 5.166 1.074 -11.763 255 2HZ LYS 60 2HZ LYS 60 6.167 -0.148 -11.158 256 3HZ LYS 60 3HZ LYS 60 6.834 1.323 -11.647 257 H VAL 61 H VAL 61 -0.121 -0.411 -7.132 258 HA VAL 61 HA VAL 61 -0.822 -3.281 -7.276 259 HB VAL 61 HB VAL 61 -1.859 -2.274 -4.864 260 1HG1 VAL 61 1HG1 VAL 61 0.398 -4.118 -5.575 261 1HG2 VAL 61 1HG2 VAL 61 1.068 -1.626 -5.020 262 HA PRO 62 HA PRO 62 -5.159 -2.453 -8.025 263 1HB PRO 62 1HB PRO 62 -6.238 -2.297 -5.377 264 2HB PRO 62 2HB PRO 62 -6.271 -3.685 -6.463 265 1HG PRO 62 1HG PRO 62 -4.401 -3.028 -4.253 266 2HG PRO 62 2HG PRO 62 -4.936 -4.617 -4.836 267 1HD PRO 62 1HD PRO 62 -2.507 -3.739 -5.359 268 2HD PRO 62 2HD PRO 62 -3.411 -4.607 -6.604 269 H GLY 63 H GLY 63 -7.000 -0.894 -6.330 270 1HA GLY 63 1HA GLY 63 -6.958 1.590 -7.134 271 2HA GLY 63 2HA GLY 63 -7.259 1.273 -5.431 272 H ILE 64 H ILE 64 -4.581 0.326 -4.900 273 HA ILE 64 HA ILE 64 -3.310 2.676 -4.127 274 HB ILE 64 HB ILE 64 -1.670 0.267 -4.764 275 2HG1 ILE 64 2HG1 ILE 64 -3.714 -0.725 -3.943 276 1HG2 ILE 64 1HG2 ILE 64 -1.796 1.849 -2.220 277 1HD1 ILE 64 1HD1 ILE 64 -1.705 -0.591 -1.715 278 H SER 65 H SER 65 -3.467 3.960 -6.038 279 HA SER 65 HA SER 65 -1.571 3.323 -8.185 280 1HB SER 65 1HB SER 65 -4.104 4.872 -7.989 281 2HB SER 65 2HB SER 65 -2.931 5.349 -9.206 282 HG SER 65 HG SER 65 -3.300 2.656 -9.168 283 H GLN 66 H GLN 66 -2.506 5.708 -5.844 284 HA GLN 66 HA GLN 66 0.100 6.796 -5.648 285 1HB GLN 66 1HB GLN 66 -0.642 7.917 -7.748 286 2HB GLN 66 2HB GLN 66 -2.012 8.583 -6.870 287 1HG GLN 66 1HG GLN 66 0.800 9.097 -5.988 288 2HG GLN 66 2HG GLN 66 0.033 10.071 -7.240 289 1HE2 GLN 66 1HE2 GLN 66 0.967 10.853 -4.609 290 H GLY 67 H GLY 67 -3.328 7.642 -5.335 291 1HA GLY 67 1HA GLY 67 -3.134 9.123 -2.982 292 2HA GLY 67 2HA GLY 67 -4.549 8.175 -3.437 293 H LEU 68 H LEU 68 -4.106 5.721 -3.198 294 HA LEU 68 HA LEU 68 -3.751 5.116 -0.495 295 1HB LEU 68 1HB LEU 68 -4.651 3.777 -2.717 296 2HB LEU 68 2HB LEU 68 -3.141 2.957 -2.391 297 HG LEU 68 HG LEU 68 -4.858 1.737 -1.308 298 1HD1 LEU 68 1HD1 LEU 68 -2.840 1.872 -0.045 299 1HD2 LEU 68 1HD2 LEU 68 -6.462 2.656 0.172 300 H ALA 69 H ALA 69 -1.629 4.796 -3.278 301 HA ALA 69 HA ALA 69 0.567 3.603 -2.253 302 1HB ALA 69 1HB ALA 69 0.680 6.049 -4.006 303 2HB ALA 69 2HB ALA 69 0.355 4.415 -4.583 304 3HB ALA 69 3HB ALA 69 1.912 4.799 -3.854 305 H GLU 70 H GLU 70 -0.292 7.026 -1.911 306 HA GLU 70 HA GLU 70 1.962 7.672 -0.292 307 1HB GLU 70 1HB GLU 70 -0.725 9.040 -0.494 308 2HB GLU 70 2HB GLU 70 0.704 9.716 0.273 309 1HG GLU 70 1HG GLU 70 1.767 9.341 -2.078 310 2HG GLU 70 2HG GLU 70 0.086 9.323 -2.600 311 H LYS 71 H LYS 71 -1.406 6.870 0.300 312 HA LYS 71 HA LYS 71 -1.591 7.114 3.021 313 1HB LYS 71 1HB LYS 71 -2.743 4.967 1.238 314 2HB LYS 71 2HB LYS 71 -3.304 5.338 2.841 315 1HG LYS 71 1HG LYS 71 -3.834 6.685 0.306 316 2HG LYS 71 2HG LYS 71 -4.825 6.570 1.756 317 1HD LYS 71 1HD LYS 71 -3.599 8.351 2.805 318 2HD LYS 71 2HD LYS 71 -2.427 8.383 1.486 319 1HE LYS 71 1HE LYS 71 -4.257 9.001 -0.063 320 2HE LYS 71 2HE LYS 71 -5.353 9.081 1.314 321 1HZ LYS 71 1HZ LYS 71 -4.166 10.898 2.208 322 2HZ LYS 71 2HZ LYS 71 -4.388 11.243 0.569 323 3HZ LYS 71 3HZ LYS 71 -2.888 10.702 1.119 324 H ILE 72 H ILE 72 -0.245 4.551 1.097 325 HA ILE 72 HA ILE 72 0.383 2.860 3.356 326 HB ILE 72 HB ILE 72 1.266 2.592 0.481 327 2HG1 ILE 72 2HG1 ILE 72 -1.132 2.673 0.511 328 1HG2 ILE 72 1HG2 ILE 72 1.844 0.396 0.948 329 1HD1 ILE 72 1HD1 ILE 72 -0.287 -0.212 0.488 330 H PHE 73 H PHE 73 2.125 4.790 0.980 331 HA PHE 73 HA PHE 73 4.736 4.192 1.674 332 1HB PHE 73 1HB PHE 73 4.580 5.435 -0.255 333 2HB PHE 73 2HB PHE 73 3.365 6.517 0.418 334 HD1 PHE 73 HD1 PHE 73 4.042 8.365 1.903 335 HD2 PHE 73 HD2 PHE 73 6.903 5.921 -0.082 336 HE1 PHE 73 HE1 PHE 73 5.779 10.053 2.338 337 HE2 PHE 73 HE2 PHE 73 8.642 7.607 0.348 338 HZ PHE 73 HZ PHE 73 8.074 9.691 1.537 339 H TRP 74 H TRP 74 2.701 6.817 2.873 340 HA TRP 74 HA TRP 74 4.538 7.939 4.635 341 1HB TRP 74 1HB TRP 74 1.526 7.898 4.636 342 2HB TRP 74 2HB TRP 74 2.468 8.840 5.790 343 HD1 TRP 74 HD1 TRP 74 0.807 9.200 2.568 344 HE1 TRP 74 HE1 TRP 74 1.644 11.292 1.316 345 HE3 TRP 74 HE3 TRP 74 4.988 10.157 5.322 346 HZ2 TRP 74 HZ2 TRP 74 3.812 13.089 1.472 347 HZ3 TRP 74 HZ3 TRP 74 6.397 12.080 4.711 348 HH2 TRP 74 HH2 TRP 74 5.823 13.518 2.824 349 H SER 75 H SER 75 3.029 4.936 4.795 350 HA SER 75 HA SER 75 2.739 4.831 7.638 351 1HB SER 75 1HB SER 75 2.594 2.574 5.652 352 2HB SER 75 2HB SER 75 1.979 2.570 7.305 353 HG SER 75 HG SER 75 0.811 3.494 5.057 354 H LEU 76 H LEU 76 4.457 2.410 5.715 355 HA LEU 76 HA LEU 76 5.971 1.549 7.890 356 1HB LEU 76 1HB LEU 76 7.537 0.792 5.776 357 2HB LEU 76 2HB LEU 76 6.243 -0.133 6.497 358 HG LEU 76 HG LEU 76 6.216 -0.030 4.014 359 1HD1 LEU 76 1HD1 LEU 76 3.957 0.658 5.773 360 1HD2 LEU 76 1HD2 LEU 76 5.187 2.082 3.062 361 H LYS 77 H LYS 77 7.279 3.400 5.098 362 HA LYS 77 HA LYS 77 9.425 4.204 6.937 363 1HB LYS 77 1HB LYS 77 10.997 3.790 5.397 364 2HB LYS 77 2HB LYS 77 9.766 2.725 4.740 365 1HG LYS 77 1HG LYS 77 10.097 5.568 3.881 366 2HG LYS 77 2HG LYS 77 10.924 4.224 3.100 367 1HD LYS 77 1HD LYS 77 8.146 3.609 3.362 368 2HD LYS 77 2HD LYS 77 8.322 5.198 2.615 369 1HE LYS 77 1HE LYS 77 9.435 2.567 1.672 370 2HE LYS 77 2HE LYS 77 8.305 3.634 0.846 371 1HZ LYS 77 1HZ LYS 77 11.003 4.588 1.516 372 2HZ LYS 77 2HZ LYS 77 9.965 5.108 0.295 373 3HZ LYS 77 3HZ LYS 77 10.769 3.630 0.148 374 H HIS 78 H HIS 78 7.145 5.399 4.567 375 HA HIS 78 HA HIS 78 6.881 7.508 3.684 376 1HB HIS 78 1HB HIS 78 6.451 9.156 5.488 377 2HB HIS 78 2HB HIS 78 5.629 7.632 5.742 378 HD1 HIS 78 HD1 HIS 78 9.067 8.909 6.782 379 HD2 HIS 78 HD2 HIS 78 5.698 7.053 8.344 380 HE1 HIS 78 HE1 HIS 78 9.580 8.506 9.213 381 HE2 HIS 78 HE2 HIS 78 7.548 7.343 10.121 Start of MODEL 11 1 H THR 23 H THR 23 -16.161 -4.788 3.254 2 HA THR 23 HA THR 23 -17.275 -4.310 5.845 3 HB THR 23 HB THR 23 -14.442 -3.386 5.603 4 HG1 THR 23 HG1 THR 23 -14.858 -5.848 5.400 5 1HG2 THR 23 1HG2 THR 23 -16.255 -4.042 7.920 6 H SER 24 H SER 24 -18.145 -3.403 3.475 7 HA SER 24 HA SER 24 -18.539 -1.557 2.178 8 1HB SER 24 1HB SER 24 -17.985 0.115 4.605 9 2HB SER 24 2HB SER 24 -19.291 0.248 3.431 10 HG SER 24 HG SER 24 -20.261 -1.561 4.331 11 H SER 25 H SER 25 -17.506 1.105 2.485 12 HA SER 25 HA SER 25 -15.206 0.975 0.978 13 1HB SER 25 1HB SER 25 -15.789 3.203 2.933 14 2HB SER 25 2HB SER 25 -14.935 3.309 1.392 15 HG SER 25 HG SER 25 -17.537 3.595 1.854 16 H LEU 26 H LEU 26 -15.630 0.608 4.385 17 HA LEU 26 HA LEU 26 -13.070 1.263 5.302 18 1HB LEU 26 1HB LEU 26 -15.142 -0.644 6.356 19 2HB LEU 26 2HB LEU 26 -13.618 -0.380 7.176 20 HG LEU 26 HG LEU 26 -14.237 2.087 7.239 21 1HD1 LEU 26 1HD1 LEU 26 -16.774 2.395 7.213 22 1HD2 LEU 26 1HD2 LEU 26 -15.906 1.669 9.127 23 H GLU 27 H GLU 27 -14.191 -1.477 3.518 24 HA GLU 27 HA GLU 27 -11.822 -3.005 4.221 25 1HB GLU 27 1HB GLU 27 -12.758 -4.826 3.003 26 2HB GLU 27 2HB GLU 27 -14.047 -4.114 3.955 27 1HG GLU 27 1HG GLU 27 -15.135 -3.280 2.122 28 2HG GLU 27 2HG GLU 27 -13.678 -3.269 1.126 29 H THR 28 H THR 28 -12.538 -0.598 2.061 30 HA THR 28 HA THR 28 -10.309 -1.427 0.339 31 HB THR 28 HB THR 28 -12.395 0.154 -0.999 32 HG1 THR 28 HG1 THR 28 -12.855 -2.478 -0.007 33 1HG2 THR 28 1HG2 THR 28 -10.906 -2.377 -1.696 34 H ILE 29 H ILE 29 -11.417 0.720 2.486 35 HA ILE 29 HA ILE 29 -11.077 3.255 1.560 36 HB ILE 29 HB ILE 29 -10.145 3.587 3.932 37 2HG1 ILE 29 2HG1 ILE 29 -9.559 1.143 4.106 38 1HG2 ILE 29 1HG2 ILE 29 -12.251 4.043 4.610 39 1HD1 ILE 29 1HD1 ILE 29 -9.616 2.509 6.109 40 H GLU 30 H GLU 30 -9.268 4.724 1.903 41 HA GLU 30 HA GLU 30 -6.896 3.794 0.765 42 1HB GLU 30 1HB GLU 30 -5.987 6.032 1.370 43 2HB GLU 30 2HB GLU 30 -7.530 6.114 0.538 44 1HG GLU 30 1HG GLU 30 -8.691 6.629 2.490 45 2HG GLU 30 2HG GLU 30 -7.350 6.136 3.519 46 H GLY 31 H GLY 31 -8.092 3.817 3.849 47 1HA GLY 31 1HA GLY 31 -5.477 3.124 5.010 48 2HA GLY 31 2HA GLY 31 -6.795 3.837 5.934 49 H VAL 32 H VAL 32 -7.131 1.361 3.547 50 HA VAL 32 HA VAL 32 -8.647 -0.419 4.962 51 HB VAL 32 HB VAL 32 -7.107 -2.132 3.480 52 1HG1 VAL 32 1HG1 VAL 32 -9.478 -2.041 3.338 53 1HG2 VAL 32 1HG2 VAL 32 -5.950 0.198 2.832 54 H GLY 33 H GLY 33 -7.573 -2.753 5.059 55 1HA GLY 33 1HA GLY 33 -5.167 -3.166 6.417 56 2HA GLY 33 2HA GLY 33 -6.463 -2.979 7.602 57 HA PRO 34 HA PRO 34 -8.844 -6.707 6.745 58 1HB PRO 34 1HB PRO 34 -9.778 -6.158 4.054 59 2HB PRO 34 2HB PRO 34 -10.704 -6.241 5.546 60 1HG PRO 34 1HG PRO 34 -9.591 -3.878 4.185 61 2HG PRO 34 2HG PRO 34 -10.957 -3.999 5.310 62 1HD PRO 34 1HD PRO 34 -8.686 -2.880 6.086 63 2HD PRO 34 2HD PRO 34 -9.567 -3.955 7.184 64 H LYS 35 H LYS 35 -7.168 -5.499 3.834 65 HA LYS 35 HA LYS 35 -5.208 -7.429 3.730 66 1HB LYS 35 1HB LYS 35 -5.953 -8.993 2.041 67 2HB LYS 35 2HB LYS 35 -7.022 -9.054 3.431 68 1HG LYS 35 1HG LYS 35 -8.655 -7.687 2.235 69 2HG LYS 35 2HG LYS 35 -7.581 -7.642 0.833 70 1HD LYS 35 1HD LYS 35 -7.714 -10.048 0.619 71 2HD LYS 35 2HD LYS 35 -8.705 -10.148 2.073 72 1HE LYS 35 1HE LYS 35 -9.495 -8.642 -0.405 73 2HE LYS 35 2HE LYS 35 -9.976 -10.304 -0.074 74 1HZ LYS 35 1HZ LYS 35 -10.860 -9.321 2.109 75 2HZ LYS 35 2HZ LYS 35 -11.747 -9.078 0.693 76 3HZ LYS 35 3HZ LYS 35 -10.785 -7.835 1.308 77 H ARG 36 H ARG 36 -7.328 -5.310 2.024 78 HA ARG 36 HA ARG 36 -6.295 -5.040 -0.435 79 1HB ARG 36 1HB ARG 36 -8.165 -3.735 0.619 80 2HB ARG 36 2HB ARG 36 -6.949 -2.707 1.351 81 1HG ARG 36 1HG ARG 36 -6.656 -3.082 -1.515 82 2HG ARG 36 2HG ARG 36 -8.141 -2.270 -1.031 83 1HD ARG 36 1HD ARG 36 -6.941 -0.543 0.057 84 2HD ARG 36 2HD ARG 36 -5.422 -1.428 -0.073 85 HE ARG 36 HE ARG 36 -5.398 -0.954 -2.405 86 1HH1 ARG 36 1HH1 ARG 36 -7.944 0.694 -0.654 87 1HH2 ARG 36 1HH2 ARG 36 -5.700 0.653 -4.011 88 H ARG 37 H ARG 37 -4.915 -3.684 2.548 89 HA ARG 37 HA ARG 37 -2.744 -2.408 1.176 90 1HB ARG 37 1HB ARG 37 -3.021 -3.165 4.092 91 2HB ARG 37 2HB ARG 37 -1.757 -2.141 3.432 92 1HG ARG 37 1HG ARG 37 -4.661 -1.462 3.145 93 2HG ARG 37 2HG ARG 37 -3.727 -1.005 4.568 94 1HD ARG 37 1HD ARG 37 -2.797 -0.344 1.800 95 2HD ARG 37 2HD ARG 37 -3.934 0.695 2.660 96 HE ARG 37 HE ARG 37 -1.204 0.065 3.593 97 1HH1 ARG 37 1HH1 ARG 37 -3.940 2.249 3.352 98 1HH2 ARG 37 1HH2 ARG 37 -0.166 1.772 4.716 99 H GLN 38 H GLN 38 -3.314 -5.454 2.775 100 HA GLN 38 HA GLN 38 -0.728 -6.487 2.826 101 1HB GLN 38 1HB GLN 38 -3.438 -7.544 3.022 102 2HB GLN 38 2HB GLN 38 -2.317 -8.674 2.272 103 1HG GLN 38 1HG GLN 38 -1.856 -7.316 4.911 104 2HG GLN 38 2HG GLN 38 -2.531 -8.926 4.701 105 1HE2 GLN 38 1HE2 GLN 38 -0.044 -7.972 6.008 106 H MET 39 H MET 39 -3.041 -6.152 0.260 107 HA MET 39 HA MET 39 -2.220 -7.862 -1.669 108 1HB MET 39 1HB MET 39 -2.667 -4.884 -2.022 109 2HB MET 39 2HB MET 39 -2.584 -6.035 -3.345 110 1HG MET 39 1HG MET 39 -4.561 -7.160 -2.553 111 2HG MET 39 2HG MET 39 -4.624 -6.113 -1.135 112 1HE MET 39 1HE MET 39 -6.942 -6.706 -3.463 113 2HE MET 39 2HE MET 39 -7.686 -5.108 -3.506 114 3HE MET 39 3HE MET 39 -7.249 -5.833 -1.959 115 H LEU 40 H LEU 40 -0.618 -5.004 -0.490 116 HA LEU 40 HA LEU 40 1.571 -4.842 -2.166 117 1HB LEU 40 1HB LEU 40 1.513 -4.354 0.788 118 2HB LEU 40 2HB LEU 40 2.648 -3.678 -0.372 119 HG LEU 40 HG LEU 40 -0.309 -3.179 -0.522 120 1HD1 LEU 40 1HD1 LEU 40 1.713 -1.320 0.613 121 1HD2 LEU 40 1HD2 LEU 40 0.333 -1.374 -1.962 122 H LEU 41 H LEU 41 1.275 -6.451 0.973 123 HA LEU 41 HA LEU 41 3.782 -7.679 1.014 124 1HB LEU 41 1HB LEU 41 1.264 -7.896 2.477 125 2HB LEU 41 2HB LEU 41 2.155 -9.405 2.407 126 HG LEU 41 HG LEU 41 2.602 -7.905 4.414 127 1HD1 LEU 41 1HD1 LEU 41 4.053 -9.774 3.714 128 1HD2 LEU 41 1HD2 LEU 41 4.247 -6.381 2.400 129 H LYS 42 H LYS 42 0.730 -8.663 -0.376 130 HA LYS 42 HA LYS 42 1.723 -11.235 -1.186 131 1HB LYS 42 1HB LYS 42 -0.762 -9.667 -1.867 132 2HB LYS 42 2HB LYS 42 -0.398 -11.216 -2.616 133 1HG LYS 42 1HG LYS 42 -1.944 -11.274 -0.631 134 2HG LYS 42 2HG LYS 42 -0.555 -12.363 -0.570 135 1HD LYS 42 1HD LYS 42 0.646 -10.712 0.814 136 2HD LYS 42 2HD LYS 42 -0.791 -9.689 0.806 137 1HE LYS 42 1HE LYS 42 -1.628 -10.823 2.522 138 2HE LYS 42 2HE LYS 42 -1.543 -12.323 1.599 139 1HZ LYS 42 1HZ LYS 42 0.536 -11.157 3.351 140 2HZ LYS 42 2HZ LYS 42 0.850 -12.415 2.275 141 3HZ LYS 42 3HZ LYS 42 -0.260 -12.636 3.527 142 H TYR 43 H TYR 43 1.834 -8.043 -2.317 143 HA TYR 43 HA TYR 43 2.365 -8.695 -5.076 144 1HB TYR 43 1HB TYR 43 1.726 -6.335 -3.555 145 2HB TYR 43 2HB TYR 43 3.156 -6.032 -4.528 146 HD1 TYR 43 HD1 TYR 43 2.953 -5.574 -6.826 147 HD2 TYR 43 HD2 TYR 43 -0.354 -7.224 -4.721 148 HE1 TYR 43 HE1 TYR 43 1.521 -5.189 -8.787 149 HE2 TYR 43 HE2 TYR 43 -1.794 -6.849 -6.677 150 HH TYR 43 HH TYR 43 -0.668 -6.253 -9.715 151 H MET 44 H MET 44 4.157 -8.056 -2.166 152 HA MET 44 HA MET 44 6.673 -8.239 -3.701 153 1HB MET 44 1HB MET 44 7.724 -6.968 -1.940 154 2HB MET 44 2HB MET 44 6.295 -6.104 -2.500 155 1HG MET 44 1HG MET 44 5.091 -7.284 -0.549 156 2HG MET 44 2HG MET 44 6.713 -7.590 0.060 157 1HE MET 44 1HE MET 44 5.703 -4.455 -2.035 158 2HE MET 44 2HE MET 44 5.170 -3.329 -0.786 159 3HE MET 44 3HE MET 44 4.220 -4.772 -1.135 160 H GLY 45 H GLY 45 5.039 -9.219 -0.724 161 1HA GLY 45 1HA GLY 45 5.172 -11.373 0.206 162 2HA GLY 45 2HA GLY 45 6.656 -11.650 -0.686 163 H GLY 46 H GLY 46 6.115 -8.741 1.191 164 1HA GLY 46 1HA GLY 46 7.075 -9.436 3.660 165 2HA GLY 46 2HA GLY 46 8.509 -9.202 2.674 166 H LEU 47 H LEU 47 6.441 -7.712 4.740 167 HA LEU 47 HA LEU 47 5.792 -5.259 3.805 168 1HB LEU 47 1HB LEU 47 5.406 -6.015 6.111 169 2HB LEU 47 2HB LEU 47 7.104 -5.801 6.466 170 HG LEU 47 HG LEU 47 6.939 -3.420 6.211 171 1HD1 LEU 47 1HD1 LEU 47 4.091 -3.930 5.351 172 1HD2 LEU 47 1HD2 LEU 47 5.188 -2.916 7.942 173 H GLN 48 H GLN 48 8.955 -6.278 4.968 174 HA GLN 48 HA GLN 48 10.395 -3.967 4.817 175 1HB GLN 48 1HB GLN 48 11.202 -6.361 5.329 176 2HB GLN 48 2HB GLN 48 11.445 -6.503 3.592 177 1HG GLN 48 1HG GLN 48 13.496 -5.895 4.832 178 2HG GLN 48 2HG GLN 48 13.034 -4.718 3.602 179 1HE2 GLN 48 1HE2 GLN 48 14.209 -3.085 4.625 180 H GLY 49 H GLY 49 9.624 -6.155 2.138 181 1HA GLY 49 1HA GLY 49 10.855 -4.721 0.078 182 2HA GLY 49 2HA GLY 49 9.468 -5.790 -0.119 183 H LEU 50 H LEU 50 7.899 -4.225 1.787 184 HA LEU 50 HA LEU 50 6.833 -2.309 -0.063 185 1HB LEU 50 1HB LEU 50 5.213 -3.465 1.184 186 2HB LEU 50 2HB LEU 50 6.078 -3.244 2.685 187 HG LEU 50 HG LEU 50 5.462 -0.957 2.801 188 1HD1 LEU 50 1HD1 LEU 50 3.845 -1.096 0.308 189 1HD2 LEU 50 1HD2 LEU 50 3.789 -2.740 3.446 190 H ARG 51 H ARG 51 8.507 -2.297 3.012 191 HA ARG 51 HA ARG 51 8.531 0.458 3.491 192 1HB ARG 51 1HB ARG 51 10.772 -1.461 4.135 193 2HB ARG 51 2HB ARG 51 10.370 0.031 4.979 194 1HG ARG 51 1HG ARG 51 8.045 -1.320 5.193 195 2HG ARG 51 2HG ARG 51 9.205 -2.646 5.209 196 1HD ARG 51 1HD ARG 51 9.454 -0.216 6.959 197 2HD ARG 51 2HD ARG 51 8.623 -1.689 7.461 198 HE ARG 51 HE ARG 51 10.710 -2.844 7.374 199 1HH1 ARG 51 1HH1 ARG 51 10.972 0.616 6.898 200 1HH2 ARG 51 1HH2 ARG 51 12.932 -2.769 7.915 201 H ASN 52 H ASN 52 10.360 -1.634 1.462 202 HA ASN 52 HA ASN 52 12.299 0.334 0.650 203 1HB ASN 52 1HB ASN 52 11.554 -2.419 -0.341 204 2HB ASN 52 2HB ASN 52 12.702 -1.408 -1.214 205 1HD2 ASN 52 1HD2 ASN 52 12.463 -1.276 2.233 206 H ALA 53 H ALA 53 9.137 -0.629 -0.183 207 HA ALA 53 HA ALA 53 9.150 0.613 -2.799 208 1HB ALA 53 1HB ALA 53 7.078 -0.844 -1.180 209 2HB ALA 53 2HB ALA 53 7.816 -1.318 -2.712 210 3HB ALA 53 3HB ALA 53 6.663 0.016 -2.663 211 H SER 54 H SER 54 8.689 2.688 -3.120 212 HA SER 54 HA SER 54 7.463 4.167 -0.926 213 1HB SER 54 1HB SER 54 8.892 5.360 -3.296 214 2HB SER 54 2HB SER 54 8.587 6.098 -1.724 215 HG SER 54 HG SER 54 10.201 3.788 -2.036 216 H VAL 55 H VAL 55 6.286 6.209 -2.179 217 HA VAL 55 HA VAL 55 3.901 5.211 -3.075 218 HB VAL 55 HB VAL 55 5.341 7.775 -3.555 219 1HG1 VAL 55 1HG1 VAL 55 4.250 7.337 -5.667 220 1HG2 VAL 55 1HG2 VAL 55 4.218 7.397 -1.424 221 H GLU 56 H GLU 56 6.830 5.871 -4.795 222 HA GLU 56 HA GLU 56 5.975 5.659 -7.434 223 1HB GLU 56 1HB GLU 56 8.379 5.121 -7.853 224 2HB GLU 56 2HB GLU 56 8.121 6.568 -6.901 225 1HG GLU 56 1HG GLU 56 8.373 4.817 -4.921 226 2HG GLU 56 2HG GLU 56 9.321 3.979 -6.146 227 H GLU 57 H GLU 57 7.094 3.223 -5.148 228 HA GLU 57 HA GLU 57 6.771 1.111 -7.102 229 1HB GLU 57 1HB GLU 57 8.248 1.495 -4.697 230 2HB GLU 57 2HB GLU 57 7.188 0.115 -4.474 231 1HG GLU 57 1HG GLU 57 9.619 -0.081 -5.504 232 2HG GLU 57 2HG GLU 57 8.304 -1.161 -5.955 233 H ILE 58 H ILE 58 5.434 2.036 -3.974 234 HA ILE 58 HA ILE 58 3.576 0.045 -3.655 235 HB ILE 58 HB ILE 58 3.476 2.947 -2.851 236 2HG1 ILE 58 2HG1 ILE 58 5.250 1.299 -1.949 237 1HG2 ILE 58 1HG2 ILE 58 1.226 1.994 -3.013 238 1HD1 ILE 58 1HD1 ILE 58 5.179 2.152 0.277 239 H ALA 59 H ALA 59 3.486 2.927 -5.625 240 HA ALA 59 HA ALA 59 0.730 2.721 -6.302 241 1HB ALA 59 1HB ALA 59 2.028 4.819 -6.446 242 2HB ALA 59 2HB ALA 59 1.178 4.422 -7.939 243 3HB ALA 59 3HB ALA 59 2.915 4.141 -7.812 244 H LYS 60 H LYS 60 2.299 0.248 -6.663 245 HA LYS 60 HA LYS 60 1.940 -0.071 -9.566 246 1HB LYS 60 1HB LYS 60 4.006 -1.166 -7.710 247 2HB LYS 60 2HB LYS 60 3.500 -2.154 -9.070 248 1HG LYS 60 1HG LYS 60 5.536 -0.730 -9.438 249 2HG LYS 60 2HG LYS 60 4.254 -0.562 -10.637 250 1HD LYS 60 1HD LYS 60 3.499 1.483 -9.576 251 2HD LYS 60 2HD LYS 60 4.704 1.297 -8.301 252 1HE LYS 60 1HE LYS 60 5.286 1.668 -11.239 253 2HE LYS 60 2HE LYS 60 5.395 2.924 -10.010 254 1HZ LYS 60 1HZ LYS 60 7.056 1.458 -8.874 255 2HZ LYS 60 2HZ LYS 60 7.567 2.112 -10.341 256 3HZ LYS 60 3HZ LYS 60 7.072 0.499 -10.262 257 H VAL 61 H VAL 61 0.306 -0.419 -6.968 258 HA VAL 61 HA VAL 61 -0.552 -3.190 -7.463 259 HB VAL 61 HB VAL 61 -1.803 -2.318 -5.125 260 1HG1 VAL 61 1HG1 VAL 61 0.571 -4.067 -5.659 261 1HG2 VAL 61 1HG2 VAL 61 -0.126 -0.416 -5.212 262 HA PRO 62 HA PRO 62 -4.750 -2.306 -8.654 263 1HB PRO 62 1HB PRO 62 -6.035 -2.347 -6.085 264 2HB PRO 62 2HB PRO 62 -6.010 -3.624 -7.299 265 1HG PRO 62 1HG PRO 62 -4.297 -3.240 -4.905 266 2HG PRO 62 2HG PRO 62 -4.790 -4.744 -5.703 267 1HD PRO 62 1HD PRO 62 -2.320 -3.837 -5.948 268 2HD PRO 62 2HD PRO 62 -3.145 -4.541 -7.348 269 H GLY 63 H GLY 63 -6.765 -0.881 -7.057 270 1HA GLY 63 1HA GLY 63 -6.621 1.665 -7.736 271 2HA GLY 63 2HA GLY 63 -7.175 1.239 -6.122 272 H ILE 64 H ILE 64 -4.514 0.219 -5.405 273 HA ILE 64 HA ILE 64 -3.439 2.419 -4.126 274 HB ILE 64 HB ILE 64 -1.780 0.057 -4.931 275 2HG1 ILE 64 2HG1 ILE 64 -3.678 -1.092 -4.266 276 1HG2 ILE 64 1HG2 ILE 64 -0.772 1.909 -3.651 277 1HD1 ILE 64 1HD1 ILE 64 -1.805 -1.741 -2.787 278 H SER 65 H SER 65 -3.237 4.081 -5.677 279 HA SER 65 HA SER 65 -0.875 3.795 -7.410 280 1HB SER 65 1HB SER 65 -3.579 4.619 -8.012 281 2HB SER 65 2HB SER 65 -2.436 5.894 -8.412 282 HG SER 65 HG SER 65 -2.198 3.185 -9.241 283 H GLN 66 H GLN 66 -2.928 6.332 -6.004 284 HA GLN 66 HA GLN 66 -0.479 7.651 -5.049 285 1HB GLN 66 1HB GLN 66 -2.655 8.696 -6.715 286 2HB GLN 66 2HB GLN 66 -2.259 9.711 -5.339 287 1HG GLN 66 1HG GLN 66 -0.266 8.738 -7.369 288 2HG GLN 66 2HG GLN 66 -1.048 10.319 -7.404 289 1HE2 GLN 66 1HE2 GLN 66 -0.531 11.840 -5.814 290 H GLY 67 H GLY 67 -4.014 7.620 -4.653 291 1HA GLY 67 1HA GLY 67 -4.062 8.753 -2.102 292 2HA GLY 67 2HA GLY 67 -5.277 7.639 -2.717 293 H LEU 68 H LEU 68 -4.396 5.307 -2.826 294 HA LEU 68 HA LEU 68 -3.869 4.448 -0.186 295 1HB LEU 68 1HB LEU 68 -5.023 3.259 -2.249 296 2HB LEU 68 2HB LEU 68 -3.401 2.696 -2.557 297 HG LEU 68 HG LEU 68 -4.380 0.959 -1.349 298 1HD1 LEU 68 1HD1 LEU 68 -2.173 1.953 -0.497 299 1HD2 LEU 68 1HD2 LEU 68 -6.328 2.440 -0.608 300 H ALA 69 H ALA 69 -1.953 4.462 -3.142 301 HA ALA 69 HA ALA 69 0.325 3.279 -2.271 302 1HB ALA 69 1HB ALA 69 0.326 5.780 -3.957 303 2HB ALA 69 2HB ALA 69 -0.041 4.167 -4.571 304 3HB ALA 69 3HB ALA 69 1.560 4.519 -3.916 305 H GLU 70 H GLU 70 -0.467 6.729 -1.944 306 HA GLU 70 HA GLU 70 1.787 7.382 -0.395 307 1HB GLU 70 1HB GLU 70 -0.953 8.664 -0.507 308 2HB GLU 70 2HB GLU 70 0.428 9.365 0.328 309 1HG GLU 70 1HG GLU 70 1.525 8.999 -2.071 310 2HG GLU 70 2HG GLU 70 -0.157 9.177 -2.551 311 H LYS 71 H LYS 71 -1.489 6.386 0.432 312 HA LYS 71 HA LYS 71 -1.467 6.599 3.156 313 1HB LYS 71 1HB LYS 71 -2.644 4.465 1.376 314 2HB LYS 71 2HB LYS 71 -2.990 4.588 3.076 315 1HG LYS 71 1HG LYS 71 -4.147 6.005 0.879 316 2HG LYS 71 2HG LYS 71 -4.689 5.876 2.549 317 1HD LYS 71 1HD LYS 71 -3.523 7.776 3.208 318 2HD LYS 71 2HD LYS 71 -2.447 7.719 1.808 319 1HE LYS 71 1HE LYS 71 -3.884 8.830 0.503 320 2HE LYS 71 2HE LYS 71 -5.280 7.965 1.139 321 1HZ LYS 71 1HZ LYS 71 -3.993 10.398 2.171 322 2HZ LYS 71 2HZ LYS 71 -4.898 9.414 3.200 323 3HZ LYS 71 3HZ LYS 71 -5.623 10.111 1.847 324 H ILE 72 H ILE 72 -0.154 4.075 1.108 325 HA ILE 72 HA ILE 72 0.767 2.452 3.297 326 HB ILE 72 HB ILE 72 1.627 2.380 0.406 327 2HG1 ILE 72 2HG1 ILE 72 -0.866 2.217 0.911 328 1HG2 ILE 72 1HG2 ILE 72 2.456 0.250 0.802 329 1HD1 ILE 72 1HD1 ILE 72 0.632 0.079 -0.534 330 H PHE 73 H PHE 73 2.148 4.723 1.017 331 HA PHE 73 HA PHE 73 4.839 4.481 1.607 332 1HB PHE 73 1HB PHE 73 4.209 5.906 -0.191 333 2HB PHE 73 2HB PHE 73 3.182 6.887 0.851 334 HD1 PHE 73 HD1 PHE 73 4.181 8.481 2.424 335 HD2 PHE 73 HD2 PHE 73 6.549 6.279 -0.337 336 HE1 PHE 73 HE1 PHE 73 6.042 10.042 2.789 337 HE2 PHE 73 HE2 PHE 73 8.416 7.840 0.020 338 HZ PHE 73 HZ PHE 73 8.167 9.721 1.585 339 H TRP 74 H TRP 74 2.532 6.740 3.071 340 HA TRP 74 HA TRP 74 4.224 7.795 5.014 341 1HB TRP 74 1HB TRP 74 1.221 7.422 5.130 342 2HB TRP 74 2HB TRP 74 2.153 8.505 6.157 343 HD1 TRP 74 HD1 TRP 74 0.078 8.616 3.211 344 HE1 TRP 74 HE1 TRP 74 0.525 10.723 1.800 345 HE3 TRP 74 HE3 TRP 74 4.523 10.041 5.279 346 HZ2 TRP 74 HZ2 TRP 74 2.510 12.711 1.585 347 HZ3 TRP 74 HZ3 TRP 74 5.636 12.055 4.408 348 HH2 TRP 74 HH2 TRP 74 4.654 13.358 2.605 349 H SER 75 H SER 75 2.871 4.690 4.784 350 HA SER 75 HA SER 75 2.687 4.151 7.588 351 1HB SER 75 1HB SER 75 2.870 2.160 5.314 352 2HB SER 75 2HB SER 75 2.258 1.865 6.939 353 HG SER 75 HG SER 75 1.047 3.950 5.565 354 H LEU 76 H LEU 76 4.901 2.829 5.103 355 HA LEU 76 HA LEU 76 6.851 2.381 7.249 356 1HB LEU 76 1HB LEU 76 8.034 1.213 5.150 357 2HB LEU 76 2HB LEU 76 6.947 0.376 6.231 358 HG LEU 76 HG LEU 76 6.509 -0.147 3.890 359 1HD1 LEU 76 1HD1 LEU 76 4.557 0.921 5.739 360 1HD2 LEU 76 1HD2 LEU 76 7.255 2.092 3.051 361 H LYS 77 H LYS 77 6.399 3.985 4.190 362 HA LYS 77 HA LYS 77 9.111 4.924 4.016 363 1HB LYS 77 1HB LYS 77 6.669 5.904 2.545 364 2HB LYS 77 2HB LYS 77 8.340 6.211 2.104 365 1HG LYS 77 1HG LYS 77 6.828 3.629 1.969 366 2HG LYS 77 2HG LYS 77 7.534 4.556 0.650 367 1HD LYS 77 1HD LYS 77 9.058 3.145 2.834 368 2HD LYS 77 2HD LYS 77 8.884 2.593 1.167 369 1HE LYS 77 1HE LYS 77 10.020 4.648 0.403 370 2HE LYS 77 2HE LYS 77 10.245 5.128 2.084 371 1HZ LYS 77 1HZ LYS 77 11.463 2.981 2.375 372 2HZ LYS 77 2HZ LYS 77 12.234 4.111 1.384 373 3HZ LYS 77 3HZ LYS 77 11.428 2.799 0.698 374 H HIS 78 H HIS 78 7.705 5.562 6.487 375 HA HIS 78 HA HIS 78 8.529 8.188 6.864 376 1HB HIS 78 1HB HIS 78 6.436 8.464 5.317 377 2HB HIS 78 2HB HIS 78 5.528 8.134 6.784 378 HD1 HIS 78 HD1 HIS 78 7.155 10.790 4.946 379 HD2 HIS 78 HD2 HIS 78 6.097 10.104 8.905 380 HE1 HIS 78 HE1 HIS 78 7.160 13.050 6.046 381 HE2 HIS 78 HE2 HIS 78 6.313 12.625 8.371 Start of MODEL 12 1 H THR 23 H THR 23 -18.850 3.280 6.458 2 HA THR 23 HA THR 23 -18.268 5.890 7.721 3 HB THR 23 HB THR 23 -18.907 3.499 9.383 4 HG1 THR 23 HG1 THR 23 -20.516 3.655 7.638 5 1HG2 THR 23 1HG2 THR 23 -19.753 6.384 9.637 6 H SER 24 H SER 24 -16.631 3.658 6.300 7 HA SER 24 HA SER 24 -14.446 3.745 8.229 8 1HB SER 24 1HB SER 24 -15.181 1.207 6.769 9 2HB SER 24 2HB SER 24 -13.996 1.417 8.054 10 HG SER 24 HG SER 24 -15.734 1.916 9.468 11 H SER 25 H SER 25 -12.384 2.982 7.170 12 HA SER 25 HA SER 25 -12.259 3.102 4.295 13 1HB SER 25 1HB SER 25 -10.631 5.172 5.718 14 2HB SER 25 2HB SER 25 -11.180 5.138 4.039 15 HG SER 25 HG SER 25 -13.351 5.411 4.938 16 H LEU 26 H LEU 26 -11.599 1.329 6.506 17 HA LEU 26 HA LEU 26 -8.883 1.264 7.120 18 1HB LEU 26 1HB LEU 26 -11.023 -0.830 6.986 19 2HB LEU 26 2HB LEU 26 -9.376 -1.261 7.379 20 HG LEU 26 HG LEU 26 -10.982 -0.885 9.325 21 1HD1 LEU 26 1HD1 LEU 26 -8.871 -1.039 10.114 22 1HD2 LEU 26 1HD2 LEU 26 -10.546 1.960 8.441 23 H GLU 27 H GLU 27 -10.518 0.646 4.218 24 HA GLU 27 HA GLU 27 -8.435 -1.037 3.089 25 1HB GLU 27 1HB GLU 27 -9.853 -1.226 1.165 26 2HB GLU 27 2HB GLU 27 -10.845 -1.437 2.601 27 1HG GLU 27 1HG GLU 27 -11.896 0.594 2.331 28 2HG GLU 27 2HG GLU 27 -10.602 1.249 1.325 29 H THR 28 H THR 28 -8.858 2.230 3.530 30 HA THR 28 HA THR 28 -6.964 2.768 1.372 31 HB THR 28 HB THR 28 -9.235 3.377 0.560 32 HG1 THR 28 HG1 THR 28 -7.102 5.163 0.848 33 1HG2 THR 28 1HG2 THR 28 -10.338 5.352 1.511 34 H ILE 29 H ILE 29 -7.714 3.023 4.575 35 HA ILE 29 HA ILE 29 -6.876 5.566 5.285 36 HB ILE 29 HB ILE 29 -6.324 4.439 7.433 37 2HG1 ILE 29 2HG1 ILE 29 -5.828 2.239 6.294 38 1HG2 ILE 29 1HG2 ILE 29 -8.938 3.520 7.367 39 1HD1 ILE 29 1HD1 ILE 29 -7.772 2.091 8.574 40 H GLU 30 H GLU 30 -4.894 6.340 5.947 41 HA GLU 30 HA GLU 30 -2.635 5.386 4.591 42 1HB GLU 30 1HB GLU 30 -1.351 6.943 6.124 43 2HB GLU 30 2HB GLU 30 -2.637 7.694 5.189 44 1HG GLU 30 1HG GLU 30 -3.056 6.743 8.000 45 2HG GLU 30 2HG GLU 30 -2.435 8.353 7.631 46 H GLY 31 H GLY 31 -4.221 4.258 7.138 47 1HA GLY 31 1HA GLY 31 -1.929 2.689 8.100 48 2HA GLY 31 2HA GLY 31 -3.227 3.222 9.164 49 H VAL 32 H VAL 32 -3.568 2.033 5.890 50 HA VAL 32 HA VAL 32 -5.599 0.241 6.436 51 HB VAL 32 HB VAL 32 -4.516 -0.883 4.274 52 1HG1 VAL 32 1HG1 VAL 32 -5.480 1.446 3.177 53 1HG2 VAL 32 1HG2 VAL 32 -3.483 1.857 3.864 54 H GLY 33 H GLY 33 -4.784 -2.158 5.367 55 1HA GLY 33 1HA GLY 33 -2.755 -3.647 6.063 56 2HA GLY 33 2HA GLY 33 -3.351 -3.264 7.673 57 HA PRO 34 HA PRO 34 -6.975 -5.896 7.809 58 1HB PRO 34 1HB PRO 34 -8.664 -4.563 5.845 59 2HB PRO 34 2HB PRO 34 -8.914 -4.751 7.577 60 1HG PRO 34 1HG PRO 34 -7.834 -2.472 6.114 61 2HG PRO 34 2HG PRO 34 -8.427 -2.558 7.779 62 1HD PRO 34 1HD PRO 34 -5.823 -2.210 7.194 63 2HD PRO 34 2HD PRO 34 -6.360 -3.111 8.624 64 H LYS 35 H LYS 35 -5.756 -4.843 4.758 65 HA LYS 35 HA LYS 35 -5.274 -7.335 3.687 66 1HB LYS 35 1HB LYS 35 -7.042 -7.369 1.874 67 2HB LYS 35 2HB LYS 35 -7.610 -7.772 3.487 68 1HG LYS 35 1HG LYS 35 -8.550 -5.573 3.760 69 2HG LYS 35 2HG LYS 35 -7.878 -5.065 2.209 70 1HD LYS 35 1HD LYS 35 -9.282 -6.625 1.039 71 2HD LYS 35 2HD LYS 35 -9.866 -7.297 2.560 72 1HE LYS 35 1HE LYS 35 -10.877 -5.145 3.124 73 2HE LYS 35 2HE LYS 35 -10.283 -4.460 1.614 74 1HZ LYS 35 1HZ LYS 35 -12.072 -6.815 1.671 75 2HZ LYS 35 2HZ LYS 35 -11.725 -5.792 0.371 76 3HZ LYS 35 3HZ LYS 35 -12.671 -5.232 1.658 77 H ARG 36 H ARG 36 -6.180 -4.031 3.182 78 HA ARG 36 HA ARG 36 -5.380 -3.429 0.692 79 1HB ARG 36 1HB ARG 36 -6.334 -1.699 1.917 80 2HB ARG 36 2HB ARG 36 -5.331 -2.031 3.308 81 1HG ARG 36 1HG ARG 36 -4.699 0.028 2.296 82 2HG ARG 36 2HG ARG 36 -3.410 -1.166 2.144 83 1HD ARG 36 1HD ARG 36 -3.614 -0.102 0.099 84 2HD ARG 36 2HD ARG 36 -4.324 -1.692 -0.090 85 HE ARG 36 HE ARG 36 -6.179 0.420 0.564 86 1HH1 ARG 36 1HH1 ARG 36 -4.685 -1.411 -2.002 87 1HH2 ARG 36 1HH2 ARG 36 -7.872 0.808 -0.919 88 H ARG 37 H ARG 37 -3.335 -3.195 3.588 89 HA ARG 37 HA ARG 37 -0.955 -2.624 2.261 90 1HB ARG 37 1HB ARG 37 -1.393 -4.030 4.900 91 2HB ARG 37 2HB ARG 37 0.155 -3.406 4.342 92 1HG ARG 37 1HG ARG 37 -2.216 -1.593 4.534 93 2HG ARG 37 2HG ARG 37 -1.275 -2.002 5.972 94 1HD ARG 37 1HD ARG 37 0.780 -1.297 4.632 95 2HD ARG 37 2HD ARG 37 -0.350 -0.604 3.474 96 HE ARG 37 HE ARG 37 -0.362 1.206 4.850 97 1HH1 ARG 37 1HH1 ARG 37 0.012 -1.629 6.871 98 1HH2 ARG 37 1HH2 ARG 37 -0.604 2.355 6.784 99 H GLN 38 H GLN 38 -2.316 -5.710 3.337 100 HA GLN 38 HA GLN 38 -0.316 -7.446 2.724 101 1HB GLN 38 1HB GLN 38 -3.200 -7.609 2.946 102 2HB GLN 38 2HB GLN 38 -2.600 -8.695 1.699 103 1HG GLN 38 1HG GLN 38 -1.085 -9.718 3.286 104 2HG GLN 38 2HG GLN 38 -1.622 -8.601 4.538 105 1HE2 GLN 38 1HE2 GLN 38 -3.672 -8.839 5.429 106 H MET 39 H MET 39 -2.537 -5.836 0.529 107 HA MET 39 HA MET 39 -2.116 -7.123 -1.836 108 1HB MET 39 1HB MET 39 -2.077 -4.117 -1.455 109 2HB MET 39 2HB MET 39 -2.390 -4.954 -2.968 110 1HG MET 39 1HG MET 39 -4.462 -5.751 -2.232 111 2HG MET 39 2HG MET 39 -4.102 -5.381 -0.546 112 1HE MET 39 1HE MET 39 -6.813 -4.566 -2.236 113 2HE MET 39 2HE MET 39 -7.099 -2.983 -1.522 114 3HE MET 39 3HE MET 39 -6.593 -4.328 -0.501 115 H LEU 40 H LEU 40 -0.062 -4.644 -0.367 116 HA LEU 40 HA LEU 40 1.967 -4.634 -2.265 117 1HB LEU 40 1HB LEU 40 2.041 -4.158 0.710 118 2HB LEU 40 2HB LEU 40 3.383 -3.822 -0.369 119 HG LEU 40 HG LEU 40 2.198 -1.783 0.081 120 1HD1 LEU 40 1HD1 LEU 40 1.682 -1.066 -2.174 121 1HD2 LEU 40 1HD2 LEU 40 0.036 -2.643 0.710 122 H LEU 41 H LEU 41 1.585 -6.500 0.710 123 HA LEU 41 HA LEU 41 3.960 -7.950 0.610 124 1HB LEU 41 1HB LEU 41 1.280 -8.430 1.834 125 2HB LEU 41 2HB LEU 41 2.471 -9.717 1.844 126 HG LEU 41 HG LEU 41 2.291 -8.057 3.864 127 1HD1 LEU 41 1HD1 LEU 41 4.957 -8.763 2.653 128 1HD2 LEU 41 1HD2 LEU 41 2.521 -6.070 2.366 129 H LYS 42 H LYS 42 0.874 -8.504 -0.939 130 HA LYS 42 HA LYS 42 1.632 -11.067 -1.981 131 1HB LYS 42 1HB LYS 42 -0.712 -9.228 -2.343 132 2HB LYS 42 2HB LYS 42 -0.495 -10.604 -3.415 133 1HG LYS 42 1HG LYS 42 -2.001 -10.962 -1.434 134 2HG LYS 42 2HG LYS 42 -0.713 -12.145 -1.652 135 1HD LYS 42 1HD LYS 42 0.630 -11.021 0.048 136 2HD LYS 42 2HD LYS 42 -0.626 -9.797 0.246 137 1HE LYS 42 1HE LYS 42 -0.680 -11.539 1.999 138 2HE LYS 42 2HE LYS 42 -2.173 -11.448 1.067 139 1HZ LYS 42 1HZ LYS 42 -0.059 -13.510 0.956 140 2HZ LYS 42 2HZ LYS 42 -1.145 -13.308 -0.317 141 3HZ LYS 42 3HZ LYS 42 -1.716 -13.712 1.220 142 H TYR 43 H TYR 43 1.842 -7.767 -2.930 143 HA TYR 43 HA TYR 43 2.450 -8.393 -5.689 144 1HB TYR 43 1HB TYR 43 1.919 -5.975 -4.101 145 2HB TYR 43 2HB TYR 43 3.083 -5.765 -5.404 146 HD1 TYR 43 HD1 TYR 43 2.260 -5.179 -7.483 147 HD2 TYR 43 HD2 TYR 43 -0.278 -7.309 -4.819 148 HE1 TYR 43 HE1 TYR 43 0.419 -4.996 -9.102 149 HE2 TYR 43 HE2 TYR 43 -2.129 -7.124 -6.430 150 HH TYR 43 HH TYR 43 -2.847 -5.972 -8.294 151 H MET 44 H MET 44 4.180 -7.854 -2.752 152 HA MET 44 HA MET 44 6.708 -7.791 -4.264 153 1HB MET 44 1HB MET 44 7.706 -6.636 -2.395 154 2HB MET 44 2HB MET 44 6.255 -5.778 -2.902 155 1HG MET 44 1HG MET 44 5.065 -7.106 -1.066 156 2HG MET 44 2HG MET 44 6.677 -7.471 -0.463 157 1HE MET 44 1HE MET 44 5.356 -3.090 -1.050 158 2HE MET 44 2HE MET 44 4.556 -4.456 -1.827 159 3HE MET 44 3HE MET 44 6.212 -4.032 -2.268 160 H GLY 45 H GLY 45 5.051 -9.140 -1.460 161 1HA GLY 45 1HA GLY 45 5.309 -11.313 -0.653 162 2HA GLY 45 2HA GLY 45 6.776 -11.471 -1.609 163 H GLY 46 H GLY 46 6.019 -8.859 0.649 164 1HA GLY 46 1HA GLY 46 7.215 -9.730 2.949 165 2HA GLY 46 2HA GLY 46 8.547 -9.193 1.941 166 H LEU 47 H LEU 47 6.341 -8.269 4.239 167 HA LEU 47 HA LEU 47 5.529 -5.732 3.614 168 1HB LEU 47 1HB LEU 47 5.054 -6.979 5.725 169 2HB LEU 47 2HB LEU 47 6.657 -6.562 6.278 170 HG LEU 47 HG LEU 47 4.561 -5.171 7.036 171 1HD1 LEU 47 1HD1 LEU 47 6.811 -4.735 7.772 172 1HD2 LEU 47 1HD2 LEU 47 3.901 -4.674 4.680 173 H GLN 48 H GLN 48 8.688 -6.850 4.568 174 HA GLN 48 HA GLN 48 9.991 -4.452 5.048 175 1HB GLN 48 1HB GLN 48 10.887 -6.868 5.160 176 2HB GLN 48 2HB GLN 48 11.200 -6.688 3.442 177 1HG GLN 48 1HG GLN 48 13.223 -6.224 4.569 178 2HG GLN 48 2HG GLN 48 12.589 -4.686 3.993 179 1HE2 GLN 48 1HE2 GLN 48 14.439 -5.371 6.195 180 H GLY 49 H GLY 49 9.357 -6.181 2.058 181 1HA GLY 49 1HA GLY 49 10.649 -4.401 0.299 182 2HA GLY 49 2HA GLY 49 9.357 -5.519 -0.136 183 H LEU 50 H LEU 50 7.561 -4.396 1.860 184 HA LEU 50 HA LEU 50 6.402 -2.370 0.223 185 1HB LEU 50 1HB LEU 50 4.808 -3.679 1.291 186 2HB LEU 50 2HB LEU 50 5.677 -3.663 2.812 187 HG LEU 50 HG LEU 50 4.965 -1.496 3.320 188 1HD1 LEU 50 1HD1 LEU 50 4.130 -1.340 0.446 189 1HD2 LEU 50 1HD2 LEU 50 3.179 -2.759 3.939 190 H ARG 51 H ARG 51 7.757 -2.404 3.506 191 HA ARG 51 HA ARG 51 7.662 0.334 3.979 192 1HB ARG 51 1HB ARG 51 9.996 -1.387 4.801 193 2HB ARG 51 2HB ARG 51 9.333 0.005 5.647 194 1HG ARG 51 1HG ARG 51 7.205 -1.716 5.576 195 2HG ARG 51 2HG ARG 51 8.583 -2.801 5.779 196 1HD ARG 51 1HD ARG 51 7.677 -0.560 7.555 197 2HD ARG 51 2HD ARG 51 7.935 -2.255 7.956 198 HE ARG 51 HE ARG 51 10.388 -1.272 7.169 199 1HH1 ARG 51 1HH1 ARG 51 8.049 -0.616 9.678 200 1HH2 ARG 51 1HH2 ARG 51 11.956 -0.540 8.666 201 H ASN 52 H ASN 52 9.823 -1.665 2.158 202 HA ASN 52 HA ASN 52 11.717 0.431 1.592 203 1HB ASN 52 1HB ASN 52 11.358 -2.370 0.546 204 2HB ASN 52 2HB ASN 52 12.541 -1.260 -0.145 205 1HD2 ASN 52 1HD2 ASN 52 11.518 -1.831 3.190 206 H ALA 53 H ALA 53 8.883 -0.933 0.185 207 HA ALA 53 HA ALA 53 9.191 0.144 -2.421 208 1HB ALA 53 1HB ALA 53 6.645 -0.152 -2.458 209 2HB ALA 53 2HB ALA 53 6.825 -0.833 -0.842 210 3HB ALA 53 3HB ALA 53 7.622 -1.600 -2.217 211 H SER 54 H SER 54 8.438 2.091 -3.254 212 HA SER 54 HA SER 54 7.591 4.032 -1.222 213 1HB SER 54 1HB SER 54 9.029 4.582 -3.829 214 2HB SER 54 2HB SER 54 8.640 5.760 -2.575 215 HG SER 54 HG SER 54 10.767 4.125 -2.763 216 H VAL 55 H VAL 55 6.462 5.949 -2.645 217 HA VAL 55 HA VAL 55 3.938 5.060 -3.199 218 HB VAL 55 HB VAL 55 5.509 7.436 -3.994 219 1HG1 VAL 55 1HG1 VAL 55 3.719 8.304 -5.418 220 1HG2 VAL 55 1HG2 VAL 55 2.780 7.070 -2.766 221 H GLU 56 H GLU 56 6.714 5.341 -5.277 222 HA GLU 56 HA GLU 56 5.618 4.795 -7.746 223 1HB GLU 56 1HB GLU 56 7.894 3.929 -8.297 224 2HB GLU 56 2HB GLU 56 7.882 5.516 -7.567 225 1HG GLU 56 1HG GLU 56 8.492 4.511 -5.424 226 2HG GLU 56 2HG GLU 56 8.526 2.922 -6.189 227 H GLU 57 H GLU 57 6.805 2.551 -5.304 228 HA GLU 57 HA GLU 57 6.171 0.212 -6.857 229 1HB GLU 57 1HB GLU 57 7.172 0.735 -4.088 230 2HB GLU 57 2HB GLU 57 6.751 -0.876 -4.614 231 1HG GLU 57 1HG GLU 57 8.864 0.899 -5.773 232 2HG GLU 57 2HG GLU 57 9.087 -0.576 -4.843 233 H ILE 58 H ILE 58 5.119 1.670 -3.843 234 HA ILE 58 HA ILE 58 3.004 0.014 -3.221 235 HB ILE 58 HB ILE 58 3.380 2.957 -2.705 236 2HG1 ILE 58 2HG1 ILE 58 5.054 1.189 -1.796 237 1HG2 ILE 58 1HG2 ILE 58 1.649 2.897 -1.158 238 1HD1 ILE 58 1HD1 ILE 58 3.731 2.870 0.314 239 H ALA 59 H ALA 59 3.333 2.504 -5.576 240 HA ALA 59 HA ALA 59 0.480 2.723 -6.002 241 1HB ALA 59 1HB ALA 59 1.841 4.724 -6.238 242 2HB ALA 59 2HB ALA 59 1.056 4.320 -7.765 243 3HB ALA 59 3HB ALA 59 2.766 3.957 -7.530 244 H LYS 60 H LYS 60 2.330 0.274 -6.558 245 HA LYS 60 HA LYS 60 1.377 -0.196 -9.311 246 1HB LYS 60 1HB LYS 60 3.978 -0.629 -8.070 247 2HB LYS 60 2HB LYS 60 3.356 -2.077 -8.845 248 1HG LYS 60 1HG LYS 60 4.728 -0.853 -10.400 249 2HG LYS 60 2HG LYS 60 3.043 -0.792 -10.925 250 1HD LYS 60 1HD LYS 60 3.015 1.432 -10.810 251 2HD LYS 60 2HD LYS 60 3.661 1.410 -9.168 252 1HE LYS 60 1HE LYS 60 5.226 1.280 -11.741 253 2HE LYS 60 2HE LYS 60 5.170 2.626 -10.602 254 1HZ LYS 60 1HZ LYS 60 7.176 1.280 -10.358 255 2HZ LYS 60 2HZ LYS 60 6.237 -0.075 -9.990 256 3HZ LYS 60 3HZ LYS 60 6.238 1.258 -8.956 257 H VAL 61 H VAL 61 -0.029 -0.506 -6.902 258 HA VAL 61 HA VAL 61 -0.425 -3.417 -6.875 259 HB VAL 61 HB VAL 61 -1.466 -2.359 -4.481 260 1HG1 VAL 61 1HG1 VAL 61 1.151 -3.813 -4.850 261 1HG2 VAL 61 1HG2 VAL 61 1.398 -1.552 -4.617 262 HA PRO 62 HA PRO 62 -4.772 -3.263 -7.613 263 1HB PRO 62 1HB PRO 62 -5.942 -3.307 -5.066 264 2HB PRO 62 2HB PRO 62 -5.539 -4.719 -6.049 265 1HG PRO 62 1HG PRO 62 -3.952 -3.402 -3.875 266 2HG PRO 62 2HG PRO 62 -4.173 -5.137 -4.205 267 1HD PRO 62 1HD PRO 62 -1.934 -3.983 -4.907 268 2HD PRO 62 2HD PRO 62 -2.727 -5.065 -6.066 269 H GLY 63 H GLY 63 -4.793 -1.099 -8.380 270 1HA GLY 63 1HA GLY 63 -5.722 1.003 -8.442 271 2HA GLY 63 2HA GLY 63 -6.562 0.583 -6.955 272 H ILE 64 H ILE 64 -4.005 -0.005 -5.592 273 HA ILE 64 HA ILE 64 -3.585 2.322 -4.296 274 HB ILE 64 HB ILE 64 -1.499 0.195 -4.705 275 2HG1 ILE 64 2HG1 ILE 64 -3.576 -0.853 -4.023 276 1HG2 ILE 64 1HG2 ILE 64 -1.940 1.881 -2.275 277 1HD1 ILE 64 1HD1 ILE 64 -1.441 -0.634 -1.972 278 H SER 65 H SER 65 -3.035 4.136 -5.132 279 HA SER 65 HA SER 65 -0.475 4.434 -6.381 280 1HB SER 65 1HB SER 65 -3.009 5.427 -7.720 281 2HB SER 65 2HB SER 65 -1.358 5.674 -8.292 282 HG SER 65 HG SER 65 -1.632 3.099 -7.952 283 H GLN 66 H GLN 66 -0.146 6.891 -6.508 284 HA GLN 66 HA GLN 66 0.185 8.380 -4.600 285 1HB GLN 66 1HB GLN 66 -1.004 9.032 -6.972 286 2HB GLN 66 2HB GLN 66 -2.128 9.695 -5.797 287 1HG GLN 66 1HG GLN 66 -0.575 11.413 -6.327 288 2HG GLN 66 2HG GLN 66 -0.185 10.837 -4.705 289 1HE2 GLN 66 1HE2 GLN 66 1.954 11.326 -4.668 290 H GLY 67 H GLY 67 -3.322 7.922 -5.186 291 1HA GLY 67 1HA GLY 67 -4.167 8.997 -2.750 292 2HA GLY 67 2HA GLY 67 -5.076 7.823 -3.694 293 H LEU 68 H LEU 68 -3.962 5.551 -3.570 294 HA LEU 68 HA LEU 68 -3.986 4.846 -0.763 295 1HB LEU 68 1HB LEU 68 -4.881 3.559 -2.972 296 2HB LEU 68 2HB LEU 68 -3.316 2.797 -2.803 297 HG LEU 68 HG LEU 68 -4.719 1.374 -1.638 298 1HD1 LEU 68 1HD1 LEU 68 -3.528 3.318 0.313 299 1HD2 LEU 68 1HD2 LEU 68 -6.661 2.940 -1.731 300 H ALA 69 H ALA 69 -1.786 4.763 -3.486 301 HA ALA 69 HA ALA 69 0.389 3.558 -2.407 302 1HB ALA 69 1HB ALA 69 1.792 4.879 -3.898 303 2HB ALA 69 2HB ALA 69 0.452 5.996 -4.170 304 3HB ALA 69 3HB ALA 69 0.333 4.323 -4.719 305 H GLU 70 H GLU 70 -0.177 7.082 -2.323 306 HA GLU 70 HA GLU 70 1.915 7.647 -0.558 307 1HB GLU 70 1HB GLU 70 -0.719 9.102 -0.865 308 2HB GLU 70 2HB GLU 70 0.706 9.741 -0.057 309 1HG GLU 70 1HG GLU 70 1.836 9.250 -2.364 310 2HG GLU 70 2HG GLU 70 0.179 9.319 -2.946 311 H LYS 71 H LYS 71 -1.513 7.026 0.036 312 HA LYS 71 HA LYS 71 -1.673 7.267 2.740 313 1HB LYS 71 1HB LYS 71 -2.942 5.430 0.753 314 2HB LYS 71 2HB LYS 71 -3.267 5.191 2.453 315 1HG LYS 71 1HG LYS 71 -4.742 6.758 0.865 316 2HG LYS 71 2HG LYS 71 -4.579 7.009 2.603 317 1HD LYS 71 1HD LYS 71 -3.225 8.837 2.350 318 2HD LYS 71 2HD LYS 71 -2.558 8.268 0.822 319 1HE LYS 71 1HE LYS 71 -4.206 10.301 0.891 320 2HE LYS 71 2HE LYS 71 -4.285 9.123 -0.413 321 1HZ LYS 71 1HZ LYS 71 -5.960 8.978 2.023 322 2HZ LYS 71 2HZ LYS 71 -6.122 8.065 0.611 323 3HZ LYS 71 3HZ LYS 71 -6.458 9.717 0.591 324 H ILE 72 H ILE 72 -0.464 4.527 0.889 325 HA ILE 72 HA ILE 72 0.183 2.991 3.229 326 HB ILE 72 HB ILE 72 1.080 2.634 0.379 327 2HG1 ILE 72 2HG1 ILE 72 -1.311 2.561 0.496 328 1HG2 ILE 72 1HG2 ILE 72 1.923 0.574 0.902 329 1HD1 ILE 72 1HD1 ILE 72 -1.835 0.258 -0.090 330 H PHE 73 H PHE 73 1.824 5.144 1.032 331 HA PHE 73 HA PHE 73 4.474 4.629 1.773 332 1HB PHE 73 1HB PHE 73 3.925 6.016 -0.160 333 2HB PHE 73 2HB PHE 73 3.204 7.230 0.885 334 HD1 PHE 73 HD1 PHE 73 4.826 8.147 2.752 335 HD2 PHE 73 HD2 PHE 73 6.081 6.331 -0.877 336 HE1 PHE 73 HE1 PHE 73 7.001 9.289 2.940 337 HE2 PHE 73 HE2 PHE 73 8.256 7.463 -0.701 338 HZ PHE 73 HZ PHE 73 8.739 8.901 1.245 339 H TRP 74 H TRP 74 1.934 6.549 3.175 340 HA TRP 74 HA TRP 74 3.580 7.734 5.191 341 1HB TRP 74 1HB TRP 74 0.569 7.468 5.238 342 2HB TRP 74 2HB TRP 74 1.550 8.669 6.066 343 HD1 TRP 74 HD1 TRP 74 -0.802 8.806 3.529 344 HE1 TRP 74 HE1 TRP 74 -0.271 10.493 1.662 345 HE3 TRP 74 HE3 TRP 74 4.177 9.498 4.458 346 HZ2 TRP 74 HZ2 TRP 74 1.958 11.928 0.715 347 HZ3 TRP 74 HZ3 TRP 74 5.431 11.060 3.025 348 HH2 TRP 74 HH2 TRP 74 4.341 12.248 1.196 349 H SER 75 H SER 75 2.233 4.706 4.696 350 HA SER 75 HA SER 75 1.634 3.983 7.380 351 1HB SER 75 1HB SER 75 2.261 2.206 5.012 352 2HB SER 75 2HB SER 75 1.506 1.697 6.516 353 HG SER 75 HG SER 75 0.206 3.811 5.396 354 H LEU 76 H LEU 76 4.101 2.443 5.357 355 HA LEU 76 HA LEU 76 5.719 2.010 7.733 356 1HB LEU 76 1HB LEU 76 7.136 0.988 5.583 357 2HB LEU 76 2HB LEU 76 6.180 0.094 6.742 358 HG LEU 76 HG LEU 76 5.677 -0.570 4.475 359 1HD1 LEU 76 1HD1 LEU 76 3.875 -0.944 5.849 360 1HD2 LEU 76 1HD2 LEU 76 4.314 1.153 3.094 361 H LYS 77 H LYS 77 6.350 3.134 4.450 362 HA LYS 77 HA LYS 77 8.824 3.785 4.258 363 1HB LYS 77 1HB LYS 77 6.631 4.728 3.035 364 2HB LYS 77 2HB LYS 77 7.182 6.193 3.841 365 1HG LYS 77 1HG LYS 77 8.101 6.049 1.610 366 2HG LYS 77 2HG LYS 77 9.372 5.932 2.825 367 1HD LYS 77 1HD LYS 77 9.492 3.553 2.557 368 2HD LYS 77 2HD LYS 77 8.103 3.567 1.466 369 1HE LYS 77 1HE LYS 77 9.339 4.801 -0.175 370 2HE LYS 77 2HE LYS 77 10.705 4.983 0.927 371 1HZ LYS 77 1HZ LYS 77 10.653 3.119 -0.883 372 2HZ LYS 77 2HZ LYS 77 9.786 2.284 0.303 373 3HZ LYS 77 3HZ LYS 77 11.346 2.846 0.630 374 H HIS 78 H HIS 78 6.792 6.230 5.842 375 HA HIS 78 HA HIS 78 8.995 6.720 7.708 376 1HB HIS 78 1HB HIS 78 8.835 8.330 5.578 377 2HB HIS 78 2HB HIS 78 7.629 9.115 6.600 378 HD1 HIS 78 HD1 HIS 78 8.540 10.865 8.073 379 HD2 HIS 78 HD2 HIS 78 11.387 7.982 7.150 380 HE1 HIS 78 HE1 HIS 78 10.667 11.643 9.162 381 HE2 HIS 78 HE2 HIS 78 12.400 9.932 8.511 Start of MODEL 13 1 H THR 23 H THR 23 -7.582 7.098 -9.940 2 HA THR 23 HA THR 23 -7.359 4.235 -9.432 3 HB THR 23 HB THR 23 -4.806 5.705 -9.894 4 HG1 THR 23 HG1 THR 23 -6.474 5.813 -11.757 5 1HG2 THR 23 1HG2 THR 23 -4.658 3.487 -8.965 6 H SER 24 H SER 24 -8.426 6.130 -7.756 7 HA SER 24 HA SER 24 -6.358 6.932 -5.875 8 1HB SER 24 1HB SER 24 -9.348 7.377 -5.863 9 2HB SER 24 2HB SER 24 -8.222 8.040 -4.676 10 HG SER 24 HG SER 24 -7.908 8.468 -7.461 11 H SER 25 H SER 25 -8.480 4.325 -6.363 12 HA SER 25 HA SER 25 -8.727 2.371 -5.193 13 1HB SER 25 1HB SER 25 -6.966 3.606 -3.063 14 2HB SER 25 2HB SER 25 -7.335 1.901 -3.279 15 HG SER 25 HG SER 25 -6.196 3.257 -5.440 16 H LEU 26 H LEU 26 -10.877 2.403 -4.637 17 HA LEU 26 HA LEU 26 -11.465 3.463 -1.977 18 1HB LEU 26 1HB LEU 26 -12.880 4.226 -4.506 19 2HB LEU 26 2HB LEU 26 -13.711 4.267 -2.962 20 HG LEU 26 HG LEU 26 -11.817 5.775 -2.156 21 1HD1 LEU 26 1HD1 LEU 26 -11.064 5.366 -4.950 22 1HD2 LEU 26 1HD2 LEU 26 -13.183 7.263 -4.281 23 H GLU 27 H GLU 27 -11.389 0.837 -3.748 24 HA GLU 27 HA GLU 27 -13.877 -0.380 -3.655 25 1HB GLU 27 1HB GLU 27 -11.598 -2.086 -2.847 26 2HB GLU 27 2HB GLU 27 -12.773 -2.314 -4.136 27 1HG GLU 27 1HG GLU 27 -10.309 -0.607 -4.162 28 2HG GLU 27 2HG GLU 27 -10.652 -2.028 -5.144 29 H THR 28 H THR 28 -11.297 -0.777 -1.275 30 HA THR 28 HA THR 28 -13.306 -0.885 0.865 31 HB THR 28 HB THR 28 -10.709 -2.431 0.770 32 HG1 THR 28 HG1 THR 28 -13.005 -2.986 -0.430 33 1HG2 THR 28 1HG2 THR 28 -11.729 -3.619 2.726 34 H ILE 29 H ILE 29 -10.849 0.727 -0.534 35 HA ILE 29 HA ILE 29 -9.159 1.561 1.468 36 HB ILE 29 HB ILE 29 -10.107 2.982 -0.999 37 2HG1 ILE 29 2HG1 ILE 29 -8.024 0.972 -0.299 38 1HG2 ILE 29 1HG2 ILE 29 -7.874 4.182 -0.756 39 1HD1 ILE 29 1HD1 ILE 29 -9.420 -0.123 -1.681 40 H GLU 30 H GLU 30 -9.307 4.205 2.067 41 HA GLU 30 HA GLU 30 -10.275 5.430 3.726 42 1HB GLU 30 1HB GLU 30 -12.593 6.234 3.130 43 2HB GLU 30 2HB GLU 30 -11.366 6.491 1.902 44 1HG GLU 30 1HG GLU 30 -13.091 5.768 0.614 45 2HG GLU 30 2HG GLU 30 -12.285 4.242 0.936 46 H GLY 31 H GLY 31 -9.893 3.459 4.903 47 1HA GLY 31 1HA GLY 31 -11.034 2.541 6.878 48 2HA GLY 31 2HA GLY 31 -12.376 2.120 5.812 49 H VAL 32 H VAL 32 -9.708 1.755 4.036 50 HA VAL 32 HA VAL 32 -9.746 -0.994 3.899 51 HB VAL 32 HB VAL 32 -8.321 1.097 2.691 52 1HG1 VAL 32 1HG1 VAL 32 -6.438 -1.024 3.652 53 1HG2 VAL 32 1HG2 VAL 32 -9.536 -0.902 1.730 54 H GLY 33 H GLY 33 -7.989 -2.413 4.482 55 1HA GLY 33 1HA GLY 33 -6.020 -2.189 6.301 56 2HA GLY 33 2HA GLY 33 -7.457 -2.206 7.309 57 HA PRO 34 HA PRO 34 -8.444 -6.529 6.794 58 1HB PRO 34 1HB PRO 34 -9.446 -6.978 4.185 59 2HB PRO 34 2HB PRO 34 -10.385 -6.739 5.660 60 1HG PRO 34 1HG PRO 34 -9.677 -4.798 3.537 61 2HG PRO 34 2HG PRO 34 -11.126 -4.881 4.552 62 1HD PRO 34 1HD PRO 34 -9.237 -3.048 4.979 63 2HD PRO 34 2HD PRO 34 -10.089 -3.813 6.333 64 H LYS 35 H LYS 35 -7.868 -6.232 3.309 65 HA LYS 35 HA LYS 35 -5.339 -7.687 3.696 66 1HB LYS 35 1HB LYS 35 -7.255 -9.148 2.937 67 2HB LYS 35 2HB LYS 35 -7.275 -8.217 1.448 68 1HG LYS 35 1HG LYS 35 -4.690 -9.398 2.276 69 2HG LYS 35 2HG LYS 35 -5.942 -10.493 1.688 70 1HD LYS 35 1HD LYS 35 -6.123 -9.162 -0.367 71 2HD LYS 35 2HD LYS 35 -4.863 -8.081 0.224 72 1HE LYS 35 1HE LYS 35 -3.820 -9.593 -1.272 73 2HE LYS 35 2HE LYS 35 -3.355 -10.092 0.356 74 1HZ LYS 35 1HZ LYS 35 -5.218 -11.730 0.227 75 2HZ LYS 35 2HZ LYS 35 -3.945 -12.031 -0.838 76 3HZ LYS 35 3HZ LYS 35 -5.380 -11.347 -1.409 77 H ARG 36 H ARG 36 -6.875 -5.030 2.362 78 HA ARG 36 HA ARG 36 -5.859 -4.517 -0.060 79 1HB ARG 36 1HB ARG 36 -7.382 -3.081 1.085 80 2HB ARG 36 2HB ARG 36 -6.181 -2.734 2.312 81 1HG ARG 36 1HG ARG 36 -6.044 -0.864 1.043 82 2HG ARG 36 2HG ARG 36 -4.798 -1.861 0.298 83 1HD ARG 36 1HD ARG 36 -6.414 -2.603 -1.370 84 2HD ARG 36 2HD ARG 36 -7.631 -1.545 -0.645 85 HE ARG 36 HE ARG 36 -5.683 0.187 -1.211 86 1HH1 ARG 36 1HH1 ARG 36 -7.148 -2.322 -3.150 87 1HH2 ARG 36 1HH2 ARG 36 -5.365 1.301 -3.201 88 H ARG 37 H ARG 37 -4.357 -3.542 2.960 89 HA ARG 37 HA ARG 37 -1.930 -2.729 1.801 90 1HB ARG 37 1HB ARG 37 -1.697 -3.626 4.565 91 2HB ARG 37 2HB ARG 37 -1.452 -2.022 3.877 92 1HG ARG 37 1HG ARG 37 -3.247 -1.681 5.295 93 2HG ARG 37 2HG ARG 37 -4.050 -1.956 3.749 94 1HD ARG 37 1HD ARG 37 -5.207 -3.266 5.313 95 2HD ARG 37 2HD ARG 37 -4.186 -4.378 4.410 96 HE ARG 37 HE ARG 37 -3.152 -4.916 6.358 97 1HH1 ARG 37 1HH1 ARG 37 -4.504 -1.718 6.719 98 1HH2 ARG 37 1HH2 ARG 37 -2.692 -4.793 8.584 99 H GLN 38 H GLN 38 -3.162 -5.770 2.993 100 HA GLN 38 HA GLN 38 -0.742 -7.190 3.077 101 1HB GLN 38 1HB GLN 38 -3.561 -7.822 3.190 102 2HB GLN 38 2HB GLN 38 -2.695 -8.997 2.215 103 1HG GLN 38 1HG GLN 38 -1.130 -9.356 4.054 104 2HG GLN 38 2HG GLN 38 -2.035 -8.210 5.032 105 1HE2 GLN 38 1HE2 GLN 38 -2.637 -9.621 6.605 106 H MET 39 H MET 39 -3.031 -6.517 0.475 107 HA MET 39 HA MET 39 -2.168 -8.162 -1.518 108 1HB MET 39 1HB MET 39 -2.736 -5.197 -1.775 109 2HB MET 39 2HB MET 39 -2.668 -6.328 -3.117 110 1HG MET 39 1HG MET 39 -4.569 -7.551 -2.166 111 2HG MET 39 2HG MET 39 -4.639 -6.384 -0.848 112 1HE MET 39 1HE MET 39 -5.331 -3.076 -2.963 113 2HE MET 39 2HE MET 39 -3.737 -3.791 -2.723 114 3HE MET 39 3HE MET 39 -4.873 -3.697 -1.378 115 H LEU 40 H LEU 40 -0.805 -5.038 -0.581 116 HA LEU 40 HA LEU 40 1.399 -4.925 -2.215 117 1HB LEU 40 1HB LEU 40 1.203 -4.220 0.715 118 2HB LEU 40 2HB LEU 40 2.540 -3.754 -0.324 119 HG LEU 40 HG LEU 40 0.995 -1.914 -0.068 120 1HD1 LEU 40 1HD1 LEU 40 0.823 -3.133 -2.809 121 1HD2 LEU 40 1HD2 LEU 40 -1.284 -1.979 -0.606 122 H LEU 41 H LEU 41 1.157 -6.466 0.953 123 HA LEU 41 HA LEU 41 3.703 -7.603 1.047 124 1HB LEU 41 1HB LEU 41 1.111 -8.050 2.421 125 2HB LEU 41 2HB LEU 41 2.311 -9.322 2.546 126 HG LEU 41 HG LEU 41 2.167 -7.376 4.330 127 1HD1 LEU 41 1HD1 LEU 41 3.705 -9.299 4.317 128 1HD2 LEU 41 1HD2 LEU 41 3.664 -5.562 3.872 129 H LYS 42 H LYS 42 0.706 -8.736 -0.342 130 HA LYS 42 HA LYS 42 1.764 -11.334 -0.983 131 1HB LYS 42 1HB LYS 42 -0.788 -9.878 -1.654 132 2HB LYS 42 2HB LYS 42 -0.399 -11.433 -2.375 133 1HG LYS 42 1HG LYS 42 -1.899 -11.461 -0.330 134 2HG LYS 42 2HG LYS 42 -0.510 -12.544 -0.316 135 1HD LYS 42 1HD LYS 42 0.735 -10.891 1.028 136 2HD LYS 42 2HD LYS 42 -0.697 -9.866 1.055 137 1HE LYS 42 1HE LYS 42 -0.651 -11.056 3.108 138 2HE LYS 42 2HE LYS 42 -1.927 -11.764 2.123 139 1HZ LYS 42 1HZ LYS 42 -0.609 -13.471 3.183 140 2HZ LYS 42 2HZ LYS 42 0.801 -12.864 2.488 141 3HZ LYS 42 3HZ LYS 42 -0.393 -13.545 1.509 142 H TYR 43 H TYR 43 1.788 -8.217 -2.299 143 HA TYR 43 HA TYR 43 2.232 -9.029 -5.035 144 1HB TYR 43 1HB TYR 43 1.755 -6.529 -3.574 145 2HB TYR 43 2HB TYR 43 2.931 -6.366 -4.871 146 HD1 TYR 43 HD1 TYR 43 2.242 -6.346 -7.145 147 HD2 TYR 43 HD2 TYR 43 -0.546 -7.355 -4.095 148 HE1 TYR 43 HE1 TYR 43 0.412 -6.202 -8.779 149 HE2 TYR 43 HE2 TYR 43 -2.384 -7.219 -5.724 150 HH TYR 43 HH TYR 43 -2.774 -5.969 -7.961 151 H MET 44 H MET 44 4.072 -8.079 -2.233 152 HA MET 44 HA MET 44 6.561 -8.255 -3.803 153 1HB MET 44 1HB MET 44 7.601 -6.955 -2.032 154 2HB MET 44 2HB MET 44 6.190 -6.117 -2.662 155 1HG MET 44 1HG MET 44 4.897 -7.094 -0.729 156 2HG MET 44 2HG MET 44 6.444 -7.603 -0.062 157 1HE MET 44 1HE MET 44 6.054 -4.276 -2.136 158 2HE MET 44 2HE MET 44 5.422 -3.186 -0.902 159 3HE MET 44 3HE MET 44 4.449 -4.551 -1.455 160 H GLY 45 H GLY 45 4.990 -9.296 -0.845 161 1HA GLY 45 1HA GLY 45 5.223 -11.417 0.121 162 2HA GLY 45 2HA GLY 45 6.722 -11.637 -0.768 163 H GLY 46 H GLY 46 5.727 -8.945 1.326 164 1HA GLY 46 1HA GLY 46 6.727 -9.435 3.719 165 2HA GLY 46 2HA GLY 46 8.213 -9.266 2.796 166 H LEU 47 H LEU 47 6.108 -7.657 4.712 167 HA LEU 47 HA LEU 47 5.575 -5.228 3.601 168 1HB LEU 47 1HB LEU 47 4.924 -5.916 5.871 169 2HB LEU 47 2HB LEU 47 6.576 -5.698 6.404 170 HG LEU 47 HG LEU 47 6.442 -3.312 6.003 171 1HD1 LEU 47 1HD1 LEU 47 3.622 -3.848 5.094 172 1HD2 LEU 47 1HD2 LEU 47 4.088 -4.351 7.572 173 H GLN 48 H GLN 48 8.630 -6.375 4.901 174 HA GLN 48 HA GLN 48 10.102 -4.061 4.940 175 1HB GLN 48 1HB GLN 48 10.833 -6.506 5.415 176 2HB GLN 48 2HB GLN 48 11.219 -6.557 3.700 177 1HG GLN 48 1HG GLN 48 13.181 -6.048 5.036 178 2HG GLN 48 2HG GLN 48 12.762 -4.700 3.977 179 1HE2 GLN 48 1HE2 GLN 48 12.712 -5.886 7.249 180 H GLY 49 H GLY 49 9.317 -6.154 2.217 181 1HA GLY 49 1HA GLY 49 10.786 -4.784 0.242 182 2HA GLY 49 2HA GLY 49 9.383 -5.803 -0.053 183 H LEU 50 H LEU 50 7.862 -4.106 1.841 184 HA LEU 50 HA LEU 50 6.940 -2.155 -0.079 185 1HB LEU 50 1HB LEU 50 5.203 -3.287 0.992 186 2HB LEU 50 2HB LEU 50 5.972 -3.187 2.556 187 HG LEU 50 HG LEU 50 5.402 -0.919 2.805 188 1HD1 LEU 50 1HD1 LEU 50 4.596 0.512 1.166 189 1HD2 LEU 50 1HD2 LEU 50 3.598 -2.779 2.969 190 H ARG 51 H ARG 51 8.529 -2.322 3.003 191 HA ARG 51 HA ARG 51 8.463 0.367 3.722 192 1HB ARG 51 1HB ARG 51 10.683 -1.600 4.251 193 2HB ARG 51 2HB ARG 51 10.347 -0.134 5.167 194 1HG ARG 51 1HG ARG 51 7.957 -1.460 5.217 195 2HG ARG 51 2HG ARG 51 9.134 -2.762 5.346 196 1HD ARG 51 1HD ARG 51 8.965 -0.318 7.099 197 2HD ARG 51 2HD ARG 51 8.534 -1.966 7.558 198 HE ARG 51 HE ARG 51 10.944 -2.496 7.115 199 1HH1 ARG 51 1HH1 ARG 51 9.878 0.671 8.145 200 1HH2 ARG 51 1HH2 ARG 51 12.975 -1.913 7.973 201 H ASN 52 H ASN 52 10.550 -1.393 1.574 202 HA ASN 52 HA ASN 52 12.170 0.988 1.071 203 1HB ASN 52 1HB ASN 52 13.272 -0.617 -0.655 204 2HB ASN 52 2HB ASN 52 13.581 -0.861 1.062 205 1HD2 ASN 52 1HD2 ASN 52 12.695 -2.614 2.103 206 H ALA 53 H ALA 53 9.265 0.000 0.159 207 HA ALA 53 HA ALA 53 9.520 0.888 -2.630 208 1HB ALA 53 1HB ALA 53 8.356 -1.055 -2.837 209 2HB ALA 53 2HB ALA 53 6.997 0.030 -2.529 210 3HB ALA 53 3HB ALA 53 7.668 -0.940 -1.217 211 H SER 54 H SER 54 8.947 2.926 -3.039 212 HA SER 54 HA SER 54 7.359 4.339 -1.063 213 1HB SER 54 1HB SER 54 8.759 5.540 -3.449 214 2HB SER 54 2HB SER 54 8.254 6.340 -1.962 215 HG SER 54 HG SER 54 10.424 4.584 -2.391 216 H VAL 55 H VAL 55 6.122 6.212 -2.524 217 HA VAL 55 HA VAL 55 3.839 4.972 -3.443 218 HB VAL 55 HB VAL 55 5.025 7.651 -3.624 219 1HG1 VAL 55 1HG1 VAL 55 4.490 7.384 -5.935 220 1HG2 VAL 55 1HG2 VAL 55 3.085 8.330 -2.537 221 H GLU 56 H GLU 56 6.830 5.661 -5.032 222 HA GLU 56 HA GLU 56 6.006 5.530 -7.712 223 1HB GLU 56 1HB GLU 56 8.504 4.652 -7.890 224 2HB GLU 56 2HB GLU 56 8.126 6.336 -7.573 225 1HG GLU 56 1HG GLU 56 8.567 6.095 -5.264 226 2HG GLU 56 2HG GLU 56 8.644 4.340 -5.397 227 H GLU 57 H GLU 57 6.958 3.139 -5.377 228 HA GLU 57 HA GLU 57 6.719 0.944 -7.263 229 1HB GLU 57 1HB GLU 57 8.213 1.360 -4.995 230 2HB GLU 57 2HB GLU 57 6.892 0.356 -4.405 231 1HG GLU 57 1HG GLU 57 9.099 -0.702 -5.296 232 2HG GLU 57 2HG GLU 57 7.538 -1.450 -5.606 233 H ILE 58 H ILE 58 5.262 2.087 -4.291 234 HA ILE 58 HA ILE 58 3.291 0.152 -3.993 235 HB ILE 58 HB ILE 58 3.303 3.037 -3.123 236 2HG1 ILE 58 2HG1 ILE 58 5.122 1.290 -2.353 237 1HG2 ILE 58 1HG2 ILE 58 1.635 0.738 -2.129 238 1HD1 ILE 58 1HD1 ILE 58 4.943 3.481 -1.337 239 H ALA 59 H ALA 59 3.414 3.035 -5.951 240 HA ALA 59 HA ALA 59 0.600 3.060 -6.482 241 1HB ALA 59 1HB ALA 59 1.938 5.102 -6.585 242 2HB ALA 59 2HB ALA 59 1.098 4.789 -8.103 243 3HB ALA 59 3HB ALA 59 2.823 4.446 -7.965 244 H LYS 60 H LYS 60 2.116 0.560 -6.993 245 HA LYS 60 HA LYS 60 1.347 0.216 -9.820 246 1HB LYS 60 1HB LYS 60 3.841 -0.664 -8.411 247 2HB LYS 60 2HB LYS 60 3.225 -1.607 -9.755 248 1HG LYS 60 1HG LYS 60 4.928 -0.089 -10.523 249 2HG LYS 60 2HG LYS 60 3.364 0.381 -11.189 250 1HD LYS 60 1HD LYS 60 3.152 2.129 -9.529 251 2HD LYS 60 2HD LYS 60 4.659 1.624 -8.767 252 1HE LYS 60 1HE LYS 60 4.429 2.585 -11.613 253 2HE LYS 60 2HE LYS 60 4.851 3.621 -10.252 254 1HZ LYS 60 1HZ LYS 60 6.825 2.871 -11.391 255 2HZ LYS 60 2HZ LYS 60 6.382 1.257 -11.173 256 3HZ LYS 60 3HZ LYS 60 6.777 2.209 -9.836 257 H VAL 61 H VAL 61 -0.194 -0.174 -7.509 258 HA VAL 61 HA VAL 61 -0.623 -3.065 -7.716 259 HB VAL 61 HB VAL 61 -1.431 -2.356 -5.113 260 1HG1 VAL 61 1HG1 VAL 61 1.084 -3.810 -5.936 261 1HG2 VAL 61 1HG2 VAL 61 1.008 -1.773 -4.326 262 HA PRO 62 HA PRO 62 -4.981 -2.823 -8.167 263 1HB PRO 62 1HB PRO 62 -5.981 -3.085 -5.544 264 2HB PRO 62 2HB PRO 62 -5.714 -4.392 -6.706 265 1HG PRO 62 1HG PRO 62 -3.918 -3.377 -4.537 266 2HG PRO 62 2HG PRO 62 -4.217 -5.057 -5.043 267 1HD PRO 62 1HD PRO 62 -1.999 -3.899 -5.778 268 2HD PRO 62 2HD PRO 62 -2.916 -4.792 -7.007 269 H GLY 63 H GLY 63 -4.997 -0.601 -8.733 270 1HA GLY 63 1HA GLY 63 -5.884 1.511 -8.557 271 2HA GLY 63 2HA GLY 63 -6.696 0.956 -7.100 272 H ILE 64 H ILE 64 -4.056 0.183 -5.954 273 HA ILE 64 HA ILE 64 -3.577 2.316 -4.380 274 HB ILE 64 HB ILE 64 -1.622 0.167 -5.158 275 2HG1 ILE 64 2HG1 ILE 64 -3.623 -0.888 -4.383 276 1HG2 ILE 64 1HG2 ILE 64 -1.694 1.597 -2.541 277 1HD1 ILE 64 1HD1 ILE 64 -1.747 -1.905 -3.295 278 H SER 65 H SER 65 -3.240 4.201 -5.248 279 HA SER 65 HA SER 65 -0.642 4.696 -6.405 280 1HB SER 65 1HB SER 65 -3.292 5.414 -7.680 281 2HB SER 65 2HB SER 65 -1.840 6.367 -7.982 282 HG SER 65 HG SER 65 -2.422 3.711 -8.703 283 H GLN 66 H GLN 66 -0.466 7.216 -6.360 284 HA GLN 66 HA GLN 66 -0.136 8.596 -4.364 285 1HB GLN 66 1HB GLN 66 -0.988 9.652 -6.440 286 2HB GLN 66 2HB GLN 66 -2.625 9.370 -5.860 287 1HG GLN 66 1HG GLN 66 -2.531 11.388 -4.937 288 2HG GLN 66 2HG GLN 66 -1.389 10.717 -3.771 289 1HE2 GLN 66 1HE2 GLN 66 0.649 11.422 -3.774 290 H GLY 67 H GLY 67 -3.628 7.873 -4.780 291 1HA GLY 67 1HA GLY 67 -4.431 8.676 -2.242 292 2HA GLY 67 2HA GLY 67 -5.273 7.488 -3.226 293 H LEU 68 H LEU 68 -3.928 5.327 -3.300 294 HA LEU 68 HA LEU 68 -3.751 4.443 -0.553 295 1HB LEU 68 1HB LEU 68 -4.758 3.241 -2.731 296 2HB LEU 68 2HB LEU 68 -3.132 2.615 -2.836 297 HG LEU 68 HG LEU 68 -4.413 0.995 -1.666 298 1HD1 LEU 68 1HD1 LEU 68 -2.840 2.578 0.343 299 1HD2 LEU 68 1HD2 LEU 68 -6.146 2.831 -0.988 300 H ALA 69 H ALA 69 -1.736 4.697 -3.390 301 HA ALA 69 HA ALA 69 0.575 3.542 -2.607 302 1HB ALA 69 1HB ALA 69 0.378 6.165 -4.066 303 2HB ALA 69 2HB ALA 69 0.293 4.565 -4.803 304 3HB ALA 69 3HB ALA 69 1.787 5.101 -4.033 305 H GLU 70 H GLU 70 -0.382 6.873 -1.925 306 HA GLU 70 HA GLU 70 1.836 7.446 -0.276 307 1HB GLU 70 1HB GLU 70 -0.924 8.667 -0.369 308 2HB GLU 70 2HB GLU 70 0.441 9.356 0.500 309 1HG GLU 70 1HG GLU 70 1.628 9.322 -1.759 310 2HG GLU 70 2HG GLU 70 0.033 9.066 -2.440 311 H LYS 71 H LYS 71 -1.484 6.456 0.392 312 HA LYS 71 HA LYS 71 -1.566 6.423 3.109 313 1HB LYS 71 1HB LYS 71 -2.750 4.735 0.958 314 2HB LYS 71 2HB LYS 71 -2.908 4.171 2.607 315 1HG LYS 71 1HG LYS 71 -4.731 5.694 1.515 316 2HG LYS 71 2HG LYS 71 -4.303 5.864 3.217 317 1HD LYS 71 1HD LYS 71 -3.276 7.879 2.894 318 2HD LYS 71 2HD LYS 71 -2.764 7.481 1.254 319 1HE LYS 71 1HE LYS 71 -5.186 7.665 0.581 320 2HE LYS 71 2HE LYS 71 -5.498 8.316 2.191 321 1HZ LYS 71 1HZ LYS 71 -5.097 9.955 0.310 322 2HZ LYS 71 2HZ LYS 71 -3.469 9.521 0.417 323 3HZ LYS 71 3HZ LYS 71 -4.246 10.213 1.747 324 H ILE 72 H ILE 72 -0.219 3.979 0.963 325 HA ILE 72 HA ILE 72 0.701 2.280 3.082 326 HB ILE 72 HB ILE 72 1.687 2.346 0.231 327 2HG1 ILE 72 2HG1 ILE 72 -0.721 2.221 0.229 328 1HG2 ILE 72 1HG2 ILE 72 2.402 0.142 0.551 329 1HD1 ILE 72 1HD1 ILE 72 -0.221 0.838 -1.468 330 H PHE 73 H PHE 73 2.127 4.715 0.990 331 HA PHE 73 HA PHE 73 4.796 4.453 1.661 332 1HB PHE 73 1HB PHE 73 4.052 5.974 -0.073 333 2HB PHE 73 2HB PHE 73 3.201 6.961 1.105 334 HD1 PHE 73 HD1 PHE 73 4.655 8.016 2.968 335 HD2 PHE 73 HD2 PHE 73 6.185 6.547 -0.710 336 HE1 PHE 73 HE1 PHE 73 6.665 9.401 3.262 337 HE2 PHE 73 HE2 PHE 73 8.204 7.925 -0.429 338 HZ PHE 73 HZ PHE 73 8.427 9.390 1.527 339 H TRP 74 H TRP 74 2.308 6.403 3.278 340 HA TRP 74 HA TRP 74 3.951 7.346 5.367 341 1HB TRP 74 1HB TRP 74 1.013 6.854 5.750 342 2HB TRP 74 2HB TRP 74 2.002 8.161 6.378 343 HD1 TRP 74 HD1 TRP 74 -0.724 7.865 4.194 344 HE1 TRP 74 HE1 TRP 74 -0.735 9.634 2.327 345 HE3 TRP 74 HE3 TRP 74 4.155 9.369 4.460 346 HZ2 TRP 74 HZ2 TRP 74 1.074 11.426 1.125 347 HZ3 TRP 74 HZ3 TRP 74 4.931 11.114 2.916 348 HH2 TRP 74 HH2 TRP 74 3.427 12.125 1.288 349 H SER 75 H SER 75 2.697 4.276 4.720 350 HA SER 75 HA SER 75 2.367 3.405 7.419 351 1HB SER 75 1HB SER 75 2.690 1.693 4.951 352 2HB SER 75 2HB SER 75 1.955 1.224 6.484 353 HG SER 75 HG SER 75 0.822 3.469 5.405 354 H LEU 76 H LEU 76 5.001 3.258 5.074 355 HA LEU 76 HA LEU 76 6.746 2.447 7.263 356 1HB LEU 76 1HB LEU 76 7.987 1.188 5.290 357 2HB LEU 76 2HB LEU 76 6.795 0.425 6.320 358 HG LEU 76 HG LEU 76 6.555 -0.147 3.934 359 1HD1 LEU 76 1HD1 LEU 76 4.047 1.024 4.006 360 1HD2 LEU 76 1HD2 LEU 76 5.922 1.406 2.302 361 H LYS 77 H LYS 77 6.470 3.868 4.065 362 HA LYS 77 HA LYS 77 9.149 4.571 3.734 363 1HB LYS 77 1HB LYS 77 6.754 4.891 2.303 364 2HB LYS 77 2HB LYS 77 7.437 6.503 2.495 365 1HG LYS 77 1HG LYS 77 8.193 5.406 0.432 366 2HG LYS 77 2HG LYS 77 9.519 5.765 1.534 367 1HD LYS 77 1HD LYS 77 9.412 3.421 2.344 368 2HD LYS 77 2HD LYS 77 8.210 3.094 1.094 369 1HE LYS 77 1HE LYS 77 10.606 2.487 0.547 370 2HE LYS 77 2HE LYS 77 9.758 3.482 -0.632 371 1HZ LYS 77 1HZ LYS 77 11.932 4.368 -0.311 372 2HZ LYS 77 2HZ LYS 77 11.749 4.390 1.366 373 3HZ LYS 77 3HZ LYS 77 10.839 5.438 0.407 374 H HIS 78 H HIS 78 6.618 6.097 5.568 375 HA HIS 78 HA HIS 78 8.562 7.788 6.831 376 1HB HIS 78 1HB HIS 78 7.957 9.038 4.714 377 2HB HIS 78 2HB HIS 78 6.324 9.181 5.361 378 HD1 HIS 78 HD1 HIS 78 6.019 11.462 6.253 379 HD2 HIS 78 HD2 HIS 78 9.838 10.024 7.012 380 HE1 HIS 78 HE1 HIS 78 7.163 13.258 7.578 381 HE2 HIS 78 HE2 HIS 78 9.407 12.297 8.168 Start of MODEL 14 1 H THR 23 H THR 23 -18.792 -4.209 0.471 2 HA THR 23 HA THR 23 -19.534 -3.091 -2.142 3 HB THR 23 HB THR 23 -21.252 -2.696 0.254 4 HG1 THR 23 HG1 THR 23 -20.359 -5.121 -0.522 5 1HG2 THR 23 1HG2 THR 23 -22.017 -3.617 -2.506 6 H SER 24 H SER 24 -17.654 -2.273 0.365 7 HA SER 24 HA SER 24 -18.252 0.592 0.065 8 1HB SER 24 1HB SER 24 -16.959 -0.409 2.560 9 2HB SER 24 2HB SER 24 -18.019 0.979 2.324 10 HG SER 24 HG SER 24 -19.746 -0.560 2.005 11 H SER 25 H SER 25 -16.138 1.747 1.199 12 HA SER 25 HA SER 25 -14.097 1.406 -0.722 13 1HB SER 25 1HB SER 25 -13.688 2.852 1.885 14 2HB SER 25 2HB SER 25 -13.069 3.256 0.286 15 HG SER 25 HG SER 25 -15.216 3.805 -0.330 16 H LEU 26 H LEU 26 -14.672 -0.946 1.117 17 HA LEU 26 HA LEU 26 -12.743 -1.400 3.001 18 1HB LEU 26 1HB LEU 26 -14.227 -3.157 1.120 19 2HB LEU 26 2HB LEU 26 -12.882 -3.857 2.000 20 HG LEU 26 HG LEU 26 -15.052 -4.237 3.108 21 1HD1 LEU 26 1HD1 LEU 26 -14.347 -3.580 5.339 22 1HD2 LEU 26 1HD2 LEU 26 -16.230 -2.398 4.157 23 H GLU 27 H GLU 27 -12.342 -1.178 -0.406 24 HA GLU 27 HA GLU 27 -9.691 -2.390 -0.340 25 1HB GLU 27 1HB GLU 27 -9.747 -2.237 -2.739 26 2HB GLU 27 2HB GLU 27 -11.285 -2.882 -2.182 27 1HG GLU 27 1HG GLU 27 -12.053 -0.401 -2.274 28 2HG GLU 27 2HG GLU 27 -10.670 -0.217 -3.352 29 H THR 28 H THR 28 -11.128 0.726 -0.219 30 HA THR 28 HA THR 28 -8.476 1.918 -0.632 31 HB THR 28 HB THR 28 -9.915 2.402 -2.580 32 HG1 THR 28 HG1 THR 28 -9.185 4.525 -0.837 33 1HG2 THR 28 1HG2 THR 28 -12.075 2.371 -1.345 34 H ILE 29 H ILE 29 -10.244 1.095 1.686 35 HA ILE 29 HA ILE 29 -11.182 3.243 3.130 36 HB ILE 29 HB ILE 29 -9.573 1.382 4.730 37 2HG1 ILE 29 2HG1 ILE 29 -10.202 -0.144 2.925 38 1HG2 ILE 29 1HG2 ILE 29 -11.125 2.836 5.802 39 1HD1 ILE 29 1HD1 ILE 29 -11.239 -1.856 4.170 40 H GLU 30 H GLU 30 -10.069 4.202 5.100 41 HA GLU 30 HA GLU 30 -7.930 5.772 4.469 42 1HB GLU 30 1HB GLU 30 -7.517 5.811 7.000 43 2HB GLU 30 2HB GLU 30 -9.126 6.267 6.463 44 1HG GLU 30 1HG GLU 30 -9.938 4.023 6.979 45 2HG GLU 30 2HG GLU 30 -8.323 3.562 7.510 46 H GLY 31 H GLY 31 -6.292 4.692 3.360 47 1HA GLY 31 1HA GLY 31 -4.429 3.377 3.067 48 2HA GLY 31 2HA GLY 31 -4.163 3.634 4.790 49 H VAL 32 H VAL 32 -7.034 2.135 3.619 50 HA VAL 32 HA VAL 32 -7.980 0.207 4.425 51 HB VAL 32 HB VAL 32 -5.839 -1.306 3.104 52 1HG1 VAL 32 1HG1 VAL 32 -7.682 -2.599 3.142 53 1HG2 VAL 32 1HG2 VAL 32 -6.383 -0.481 0.865 54 H GLY 33 H GLY 33 -6.130 -2.223 4.479 55 1HA GLY 33 1HA GLY 33 -4.266 -2.591 6.198 56 2HA GLY 33 2HA GLY 33 -5.454 -1.922 7.311 57 HA PRO 34 HA PRO 34 -8.014 -5.586 7.408 58 1HB PRO 34 1HB PRO 34 -9.685 -5.619 5.152 59 2HB PRO 34 2HB PRO 34 -10.088 -4.950 6.731 60 1HG PRO 34 1HG PRO 34 -9.165 -3.588 4.263 61 2HG PRO 34 2HG PRO 34 -10.258 -3.008 5.530 62 1HD PRO 34 1HD PRO 34 -7.745 -2.137 5.327 63 2HD PRO 34 2HD PRO 34 -8.520 -2.352 6.903 64 H LYS 35 H LYS 35 -7.217 -4.973 3.989 65 HA LYS 35 HA LYS 35 -5.716 -7.418 3.865 66 1HB LYS 35 1HB LYS 35 -7.140 -8.188 1.840 67 2HB LYS 35 2HB LYS 35 -7.682 -8.548 3.471 68 1HG LYS 35 1HG LYS 35 -9.617 -7.804 2.509 69 2HG LYS 35 2HG LYS 35 -9.007 -6.317 3.235 70 1HD LYS 35 1HD LYS 35 -8.110 -5.608 1.101 71 2HD LYS 35 2HD LYS 35 -8.586 -7.133 0.362 72 1HE LYS 35 1HE LYS 35 -10.463 -5.098 1.547 73 2HE LYS 35 2HE LYS 35 -10.140 -5.308 -0.172 74 1HZ LYS 35 1HZ LYS 35 -11.055 -7.523 -0.054 75 2HZ LYS 35 2HZ LYS 35 -12.186 -6.416 0.530 76 3HZ LYS 35 3HZ LYS 35 -11.310 -7.377 1.606 77 H ARG 36 H ARG 36 -7.085 -4.678 2.089 78 HA ARG 36 HA ARG 36 -5.779 -4.838 -0.286 79 1HB ARG 36 1HB ARG 36 -7.150 -2.866 1.072 80 2HB ARG 36 2HB ARG 36 -5.574 -2.163 0.820 81 1HG ARG 36 1HG ARG 36 -6.338 -3.406 -1.568 82 2HG ARG 36 2HG ARG 36 -7.717 -2.468 -1.006 83 1HD ARG 36 1HD ARG 36 -6.375 -0.484 -0.892 84 2HD ARG 36 2HD ARG 36 -4.923 -1.412 -1.241 85 HE ARG 36 HE ARG 36 -5.973 -1.892 -3.458 86 1HH1 ARG 36 1HH1 ARG 36 -6.858 0.974 -1.668 87 1HH2 ARG 36 1HH2 ARG 36 -6.790 -0.796 -5.289 88 H ARG 37 H ARG 37 -4.496 -3.265 2.624 89 HA ARG 37 HA ARG 37 -1.979 -2.656 1.610 90 1HB ARG 37 1HB ARG 37 -2.752 -3.300 4.453 91 2HB ARG 37 2HB ARG 37 -1.277 -2.486 3.957 92 1HG ARG 37 1HG ARG 37 -3.872 -1.337 3.102 93 2HG ARG 37 2HG ARG 37 -3.383 -1.153 4.786 94 1HD ARG 37 1HD ARG 37 -1.767 -0.378 2.378 95 2HD ARG 37 2HD ARG 37 -2.630 0.741 3.436 96 HE ARG 37 HE ARG 37 -0.049 -0.266 3.844 97 1HH1 ARG 37 1HH1 ARG 37 -3.007 0.291 5.621 98 1HH2 ARG 37 1HH2 ARG 37 0.998 -0.114 5.868 99 H GLN 38 H GLN 38 -3.330 -5.578 2.840 100 HA GLN 38 HA GLN 38 -0.931 -6.996 3.314 101 1HB GLN 38 1HB GLN 38 -2.323 -8.637 3.972 102 2HB GLN 38 2HB GLN 38 -3.619 -7.480 3.706 103 1HG GLN 38 1HG GLN 38 -3.658 -8.341 1.309 104 2HG GLN 38 2HG GLN 38 -2.680 -9.676 1.911 105 1HE2 GLN 38 1HE2 GLN 38 -4.025 -9.546 4.540 106 H MET 39 H MET 39 -3.012 -6.571 0.509 107 HA MET 39 HA MET 39 -2.031 -8.445 -1.236 108 1HB MET 39 1HB MET 39 -2.521 -5.559 -1.999 109 2HB MET 39 2HB MET 39 -2.660 -6.964 -3.042 110 1HG MET 39 1HG MET 39 -4.602 -7.720 -1.860 111 2HG MET 39 2HG MET 39 -4.408 -6.452 -0.655 112 1HE MET 39 1HE MET 39 -4.047 -3.804 -1.764 113 2HE MET 39 2HE MET 39 -4.792 -3.354 -3.296 114 3HE MET 39 3HE MET 39 -3.351 -4.372 -3.282 115 H LEU 40 H LEU 40 -0.813 -5.129 -0.910 116 HA LEU 40 HA LEU 40 1.395 -5.240 -2.497 117 1HB LEU 40 1HB LEU 40 1.342 -3.944 0.226 118 2HB LEU 40 2HB LEU 40 2.364 -3.507 -1.133 119 HG LEU 40 HG LEU 40 0.778 -1.888 -1.325 120 1HD1 LEU 40 1HD1 LEU 40 0.769 -3.470 -3.332 121 1HD2 LEU 40 1HD2 LEU 40 -0.497 -2.693 0.629 122 H LEU 41 H LEU 41 1.062 -6.290 0.852 123 HA LEU 41 HA LEU 41 3.709 -7.050 1.302 124 1HB LEU 41 1HB LEU 41 1.288 -7.189 2.701 125 2HB LEU 41 2HB LEU 41 1.845 -8.846 2.578 126 HG LEU 41 HG LEU 41 2.585 -7.592 4.641 127 1HD1 LEU 41 1HD1 LEU 41 3.701 -9.640 3.734 128 1HD2 LEU 41 1HD2 LEU 41 4.203 -5.916 4.467 129 H LYS 42 H LYS 42 0.939 -8.880 0.149 130 HA LYS 42 HA LYS 42 2.385 -11.266 -0.253 131 1HB LYS 42 1HB LYS 42 -0.110 -11.071 0.064 132 2HB LYS 42 2HB LYS 42 -0.202 -10.409 -1.569 133 1HG LYS 42 1HG LYS 42 -0.562 -12.970 -1.126 134 2HG LYS 42 2HG LYS 42 0.335 -12.416 -2.550 135 1HD LYS 42 1HD LYS 42 2.373 -12.978 -1.663 136 2HD LYS 42 2HD LYS 42 1.796 -12.791 -0.011 137 1HE LYS 42 1HE LYS 42 2.185 -15.133 -0.420 138 2HE LYS 42 2HE LYS 42 0.443 -14.872 -0.323 139 1HZ LYS 42 1HZ LYS 42 0.395 -14.819 -2.763 140 2HZ LYS 42 2HZ LYS 42 0.949 -16.296 -2.169 141 3HZ LYS 42 3HZ LYS 42 2.042 -15.179 -2.806 142 H TYR 43 H TYR 43 1.996 -8.413 -1.929 143 HA TYR 43 HA TYR 43 2.514 -9.392 -4.568 144 1HB TYR 43 1HB TYR 43 2.209 -6.665 -3.358 145 2HB TYR 43 2HB TYR 43 2.687 -6.878 -5.038 146 HD1 TYR 43 HD1 TYR 43 0.627 -5.637 -5.692 147 HD2 TYR 43 HD2 TYR 43 0.429 -9.328 -3.593 148 HE1 TYR 43 HE1 TYR 43 -1.748 -5.858 -6.308 149 HE2 TYR 43 HE2 TYR 43 -1.935 -9.561 -4.206 150 HH TYR 43 HH TYR 43 -3.446 -7.523 -6.529 151 H MET 44 H MET 44 4.315 -7.844 -1.988 152 HA MET 44 HA MET 44 6.732 -7.929 -3.639 153 1HB MET 44 1HB MET 44 7.580 -6.317 -2.285 154 2HB MET 44 2HB MET 44 5.893 -6.049 -1.872 155 1HG MET 44 1HG MET 44 6.453 -6.380 0.242 156 2HG MET 44 2HG MET 44 6.727 -8.061 -0.156 157 1HE MET 44 1HE MET 44 9.133 -7.751 -2.157 158 2HE MET 44 2HE MET 44 9.324 -8.978 -0.902 159 3HE MET 44 3HE MET 44 10.602 -7.796 -1.180 160 H GLY 45 H GLY 45 5.257 -9.281 -0.814 161 1HA GLY 45 1HA GLY 45 5.590 -11.400 0.080 162 2HA GLY 45 2HA GLY 45 7.101 -11.527 -0.821 163 H GLY 46 H GLY 46 5.949 -8.986 1.375 164 1HA GLY 46 1HA GLY 46 6.981 -9.540 3.743 165 2HA GLY 46 2HA GLY 46 8.457 -9.265 2.835 166 H LEU 47 H LEU 47 6.616 -7.859 4.976 167 HA LEU 47 HA LEU 47 5.893 -5.384 4.003 168 1HB LEU 47 1HB LEU 47 5.327 -6.204 6.250 169 2HB LEU 47 2HB LEU 47 6.991 -5.988 6.739 170 HG LEU 47 HG LEU 47 6.784 -3.561 6.368 171 1HD1 LEU 47 1HD1 LEU 47 4.610 -2.566 5.949 172 1HD2 LEU 47 1HD2 LEU 47 6.389 -4.453 8.584 173 H GLN 48 H GLN 48 8.927 -6.042 5.784 174 HA GLN 48 HA GLN 48 10.142 -3.628 5.508 175 1HB GLN 48 1HB GLN 48 11.113 -5.715 6.572 176 2HB GLN 48 2HB GLN 48 11.592 -6.211 4.954 177 1HG GLN 48 1HG GLN 48 13.389 -5.128 6.290 178 2HG GLN 48 2HG GLN 48 13.064 -4.369 4.733 179 1HE2 GLN 48 1HE2 GLN 48 13.936 -2.406 5.395 180 H GLY 49 H GLY 49 10.523 -6.260 3.148 181 1HA GLY 49 1HA GLY 49 11.849 -4.788 1.200 182 2HA GLY 49 2HA GLY 49 10.819 -6.179 0.864 183 H LEU 50 H LEU 50 8.413 -5.125 1.862 184 HA LEU 50 HA LEU 50 7.458 -3.752 -0.388 185 1HB LEU 50 1HB LEU 50 5.868 -4.972 0.821 186 2HB LEU 50 2HB LEU 50 6.379 -4.313 2.357 187 HG LEU 50 HG LEU 50 5.373 -2.188 1.812 188 1HD1 LEU 50 1HD1 LEU 50 3.809 -2.243 -0.265 189 1HD2 LEU 50 1HD2 LEU 50 4.001 -3.816 2.946 190 H ARG 51 H ARG 51 8.575 -2.778 2.746 191 HA ARG 51 HA ARG 51 7.865 -0.072 2.654 192 1HB ARG 51 1HB ARG 51 10.274 -1.174 4.059 193 2HB ARG 51 2HB ARG 51 9.287 0.212 4.521 194 1HG ARG 51 1HG ARG 51 7.433 -1.736 4.510 195 2HG ARG 51 2HG ARG 51 8.856 -2.652 4.991 196 1HD ARG 51 1HD ARG 51 8.108 -0.071 6.303 197 2HD ARG 51 2HD ARG 51 7.457 -1.617 6.843 198 HE ARG 51 HE ARG 51 10.066 -2.127 6.873 199 1HH1 ARG 51 1HH1 ARG 51 8.312 0.657 8.021 200 1HH2 ARG 51 1HH2 ARG 51 11.527 -1.711 8.565 201 H ASN 52 H ASN 52 10.424 -1.905 1.292 202 HA ASN 52 HA ASN 52 12.186 0.201 0.686 203 1HB ASN 52 1HB ASN 52 11.631 -2.357 -0.820 204 2HB ASN 52 2HB ASN 52 12.928 -1.242 -1.226 205 1HD2 ASN 52 1HD2 ASN 52 12.024 -1.684 2.078 206 H ALA 53 H ALA 53 9.180 -0.819 -0.556 207 HA ALA 53 HA ALA 53 9.339 0.775 -2.969 208 1HB ALA 53 1HB ALA 53 7.173 -0.101 -3.478 209 2HB ALA 53 2HB ALA 53 6.959 -0.676 -1.827 210 3HB ALA 53 3HB ALA 53 8.165 -1.428 -2.874 211 H SER 54 H SER 54 8.759 2.823 -3.074 212 HA SER 54 HA SER 54 7.211 3.956 -0.875 213 1HB SER 54 1HB SER 54 8.786 5.435 -2.994 214 2HB SER 54 2HB SER 54 8.149 6.085 -1.483 215 HG SER 54 HG SER 54 10.487 5.441 -1.624 216 H VAL 55 H VAL 55 6.031 6.086 -2.062 217 HA VAL 55 HA VAL 55 3.726 5.098 -3.129 218 HB VAL 55 HB VAL 55 5.145 7.699 -3.490 219 1HG1 VAL 55 1HG1 VAL 55 4.095 7.191 -5.641 220 1HG2 VAL 55 1HG2 VAL 55 2.475 6.957 -2.294 221 H GLU 56 H GLU 56 6.620 6.110 -4.783 222 HA GLU 56 HA GLU 56 5.982 5.936 -7.400 223 1HB GLU 56 1HB GLU 56 8.380 5.036 -7.643 224 2HB GLU 56 2HB GLU 56 8.144 6.616 -6.925 225 1HG GLU 56 1HG GLU 56 8.522 5.764 -4.745 226 2HG GLU 56 2HG GLU 56 8.449 4.099 -5.316 227 H GLU 57 H GLU 57 7.013 3.184 -5.381 228 HA GLU 57 HA GLU 57 6.482 1.348 -7.530 229 1HB GLU 57 1HB GLU 57 7.749 1.266 -4.865 230 2HB GLU 57 2HB GLU 57 7.015 -0.208 -5.444 231 1HG GLU 57 1HG GLU 57 9.140 1.391 -6.822 232 2HG GLU 57 2HG GLU 57 9.345 -0.145 -5.992 233 H ILE 58 H ILE 58 5.245 2.050 -4.294 234 HA ILE 58 HA ILE 58 3.325 0.087 -4.102 235 HB ILE 58 HB ILE 58 3.318 2.924 -3.089 236 2HG1 ILE 58 2HG1 ILE 58 4.982 1.039 -2.334 237 1HG2 ILE 58 1HG2 ILE 58 1.475 0.695 -2.284 238 1HD1 ILE 58 1HD1 ILE 58 3.553 2.346 -0.064 239 H ALA 59 H ALA 59 3.370 3.043 -5.920 240 HA ALA 59 HA ALA 59 0.578 3.017 -6.573 241 1HB ALA 59 1HB ALA 59 2.831 4.508 -7.911 242 2HB ALA 59 2HB ALA 59 1.905 5.095 -6.529 243 3HB ALA 59 3HB ALA 59 1.106 4.836 -8.080 244 H LYS 60 H LYS 60 1.974 0.544 -7.075 245 HA LYS 60 HA LYS 60 1.595 0.373 -9.990 246 1HB LYS 60 1HB LYS 60 3.755 -0.777 -8.267 247 2HB LYS 60 2HB LYS 60 3.219 -1.684 -9.671 248 1HG LYS 60 1HG LYS 60 5.184 -0.294 -10.133 249 2HG LYS 60 2HG LYS 60 3.799 0.133 -11.133 250 1HD LYS 60 1HD LYS 60 3.326 2.040 -9.729 251 2HD LYS 60 2HD LYS 60 4.618 1.579 -8.621 252 1HE LYS 60 1HE LYS 60 5.141 2.121 -11.525 253 2HE LYS 60 2HE LYS 60 5.095 3.423 -10.338 254 1HZ LYS 60 1HZ LYS 60 6.848 1.053 -10.069 255 2HZ LYS 60 2HZ LYS 60 6.908 2.489 -9.184 256 3HZ LYS 60 3HZ LYS 60 7.342 2.484 -10.814 257 H VAL 61 H VAL 61 -0.037 -0.085 -7.460 258 HA VAL 61 HA VAL 61 -0.782 -2.886 -7.988 259 HB VAL 61 HB VAL 61 -1.874 -1.879 -5.521 260 1HG1 VAL 61 1HG1 VAL 61 0.255 -3.813 -5.244 261 1HG2 VAL 61 1HG2 VAL 61 0.910 -1.112 -6.049 262 HA PRO 62 HA PRO 62 -5.013 -1.900 -8.949 263 1HB PRO 62 1HB PRO 62 -6.394 -1.881 -6.468 264 2HB PRO 62 2HB PRO 62 -6.307 -3.205 -7.625 265 1HG PRO 62 1HG PRO 62 -4.783 -2.762 -5.136 266 2HG PRO 62 2HG PRO 62 -5.207 -4.281 -5.936 267 1HD PRO 62 1HD PRO 62 -2.731 -3.279 -5.962 268 2HD PRO 62 2HD PRO 62 -3.367 -4.202 -7.326 269 H GLY 63 H GLY 63 -6.984 -0.396 -7.537 270 1HA GLY 63 1HA GLY 63 -6.640 2.155 -8.106 271 2HA GLY 63 2HA GLY 63 -7.399 1.712 -6.586 272 H ILE 64 H ILE 64 -4.709 0.538 -5.731 273 HA ILE 64 HA ILE 64 -3.805 2.576 -4.185 274 HB ILE 64 HB ILE 64 -2.015 0.404 -5.229 275 2HG1 ILE 64 2HG1 ILE 64 -3.997 -0.670 -4.490 276 1HG2 ILE 64 1HG2 ILE 64 -1.142 2.393 -3.890 277 1HD1 ILE 64 1HD1 ILE 64 -3.311 -1.675 -2.238 278 H SER 65 H SER 65 -3.590 4.440 -5.300 279 HA SER 65 HA SER 65 -1.088 4.657 -6.766 280 1HB SER 65 1HB SER 65 -3.301 6.479 -7.528 281 2HB SER 65 2HB SER 65 -2.065 5.736 -8.532 282 HG SER 65 HG SER 65 -3.897 3.976 -7.467 283 H GLN 66 H GLN 66 -0.568 7.111 -6.684 284 HA GLN 66 HA GLN 66 0.147 8.305 -4.619 285 1HB GLN 66 1HB GLN 66 -0.610 9.507 -6.685 286 2HB GLN 66 2HB GLN 66 -2.213 9.578 -5.972 287 1HG GLN 66 1HG GLN 66 -0.880 11.663 -5.721 288 2HG GLN 66 2HG GLN 66 -1.452 10.978 -4.202 289 1HE2 GLN 66 1HE2 GLN 66 0.152 12.130 -3.099 290 H GLY 67 H GLY 67 -3.406 8.084 -5.007 291 1HA GLY 67 1HA GLY 67 -4.146 9.050 -2.508 292 2HA GLY 67 2HA GLY 67 -5.089 7.901 -3.445 293 H LEU 68 H LEU 68 -3.988 5.603 -3.378 294 HA LEU 68 HA LEU 68 -3.903 4.867 -0.578 295 1HB LEU 68 1HB LEU 68 -4.956 3.615 -2.738 296 2HB LEU 68 2HB LEU 68 -3.403 2.818 -2.671 297 HG LEU 68 HG LEU 68 -4.895 1.443 -1.464 298 1HD1 LEU 68 1HD1 LEU 68 -2.844 1.506 -0.341 299 1HD2 LEU 68 1HD2 LEU 68 -6.118 2.462 0.563 300 H ALA 69 H ALA 69 -1.859 4.783 -3.418 301 HA ALA 69 HA ALA 69 0.356 3.489 -2.544 302 1HB ALA 69 1HB ALA 69 0.245 4.409 -4.786 303 2HB ALA 69 2HB ALA 69 1.706 4.980 -3.980 304 3HB ALA 69 3HB ALA 69 0.313 6.048 -4.140 305 H GLU 70 H GLU 70 -0.559 6.830 -1.883 306 HA GLU 70 HA GLU 70 1.672 7.411 -0.240 307 1HB GLU 70 1HB GLU 70 -1.083 8.615 -0.431 308 2HB GLU 70 2HB GLU 70 0.129 9.207 0.694 309 1HG GLU 70 1HG GLU 70 1.530 9.239 -1.606 310 2HG GLU 70 2HG GLU 70 -0.092 9.555 -2.207 311 H LYS 71 H LYS 71 -1.660 6.444 0.422 312 HA LYS 71 HA LYS 71 -1.731 6.314 3.136 313 1HB LYS 71 1HB LYS 71 -2.951 4.841 0.901 314 2HB LYS 71 2HB LYS 71 -2.980 3.993 2.425 315 1HG LYS 71 1HG LYS 71 -5.003 5.273 1.985 316 2HG LYS 71 2HG LYS 71 -4.185 5.787 3.460 317 1HD LYS 71 1HD LYS 71 -3.845 7.827 2.660 318 2HD LYS 71 2HD LYS 71 -3.301 7.226 1.100 319 1HE LYS 71 1HE LYS 71 -5.741 6.767 0.590 320 2HE LYS 71 2HE LYS 71 -6.121 7.723 2.021 321 1HZ LYS 71 1HZ LYS 71 -5.383 9.641 1.035 322 2HZ LYS 71 2HZ LYS 71 -6.039 8.836 -0.295 323 3HZ LYS 71 3HZ LYS 71 -4.369 8.842 -0.050 324 H ILE 72 H ILE 72 -0.480 3.900 0.909 325 HA ILE 72 HA ILE 72 0.405 2.099 2.935 326 HB ILE 72 HB ILE 72 1.360 2.248 0.075 327 2HG1 ILE 72 2HG1 ILE 72 -1.002 2.228 -0.072 328 1HG2 ILE 72 1HG2 ILE 72 1.960 0.000 0.283 329 1HD1 ILE 72 1HD1 ILE 72 -0.119 0.506 -1.491 330 H PHE 73 H PHE 73 1.986 4.442 0.838 331 HA PHE 73 HA PHE 73 4.631 4.045 1.544 332 1HB PHE 73 1HB PHE 73 4.285 5.511 -0.238 333 2HB PHE 73 2HB PHE 73 3.064 6.434 0.626 334 HD1 PHE 73 HD1 PHE 73 3.742 8.027 2.375 335 HD2 PHE 73 HD2 PHE 73 6.569 6.069 -0.123 336 HE1 PHE 73 HE1 PHE 73 5.432 9.698 2.994 337 HE2 PHE 73 HE2 PHE 73 8.275 7.729 0.493 338 HZ PHE 73 HZ PHE 73 7.706 9.545 2.069 339 H TRP 74 H TRP 74 2.219 6.110 3.045 340 HA TRP 74 HA TRP 74 3.834 7.285 5.009 341 1HB TRP 74 1HB TRP 74 0.892 6.883 4.640 342 2HB TRP 74 2HB TRP 74 1.488 7.487 6.180 343 HD1 TRP 74 HD1 TRP 74 0.841 8.550 2.607 344 HE1 TRP 74 HE1 TRP 74 1.268 11.081 2.394 345 HE3 TRP 74 HE3 TRP 74 3.011 9.384 7.160 346 HZ2 TRP 74 HZ2 TRP 74 2.378 13.154 3.962 347 HZ3 TRP 74 HZ3 TRP 74 3.722 11.671 7.729 348 HH2 TRP 74 HH2 TRP 74 3.412 13.513 6.161 349 H SER 75 H SER 75 2.701 4.104 4.740 350 HA SER 75 HA SER 75 2.900 3.697 7.639 351 1HB SER 75 1HB SER 75 1.876 1.663 5.680 352 2HB SER 75 2HB SER 75 1.534 1.796 7.406 353 HG SER 75 HG SER 75 0.750 3.734 5.478 354 H LEU 76 H LEU 76 4.173 2.641 4.562 355 HA LEU 76 HA LEU 76 5.701 0.483 5.459 356 1HB LEU 76 1HB LEU 76 5.524 2.218 3.125 357 2HB LEU 76 2HB LEU 76 7.094 1.502 3.385 358 HG LEU 76 HG LEU 76 6.174 -0.709 3.245 359 1HD1 LEU 76 1HD1 LEU 76 3.569 0.780 3.180 360 1HD2 LEU 76 1HD2 LEU 76 6.844 0.701 1.319 361 H LYS 77 H LYS 77 7.202 3.170 3.964 362 HA LYS 77 HA LYS 77 9.309 3.233 6.004 363 1HB LYS 77 1HB LYS 77 10.703 2.360 4.491 364 2HB LYS 77 2HB LYS 77 9.356 2.229 3.348 365 1HG LYS 77 1HG LYS 77 10.996 4.732 3.683 366 2HG LYS 77 2HG LYS 77 11.400 3.457 2.534 367 1HD LYS 77 1HD LYS 77 8.730 4.832 2.611 368 2HD LYS 77 2HD LYS 77 10.066 5.376 1.603 369 1HE LYS 77 1HE LYS 77 8.727 2.685 1.486 370 2HE LYS 77 2HE LYS 77 8.509 4.003 0.342 371 1HZ LYS 77 1HZ LYS 77 10.853 3.845 -0.235 372 2HZ LYS 77 2HZ LYS 77 10.072 2.380 -0.502 373 3HZ LYS 77 3HZ LYS 77 11.056 2.571 0.855 374 H HIS 78 H HIS 78 7.192 4.963 3.962 375 HA HIS 78 HA HIS 78 6.918 7.159 3.458 376 1HB HIS 78 1HB HIS 78 6.731 7.173 5.979 377 2HB HIS 78 2HB HIS 78 8.415 7.684 6.010 378 HD1 HIS 78 HD1 HIS 78 8.823 9.953 4.411 379 HD2 HIS 78 HD2 HIS 78 5.037 9.281 5.974 380 HE1 HIS 78 HE1 HIS 78 7.653 12.168 4.305 381 HE2 HIS 78 HE2 HIS 78 5.443 11.782 5.445 Start of MODEL 15 1 H THR 23 H THR 23 -3.169 4.494 16.213 2 HA THR 23 HA THR 23 -4.906 3.608 14.965 3 HB THR 23 HB THR 23 -6.611 5.870 16.016 4 HG1 THR 23 HG1 THR 23 -6.062 3.259 16.943 5 1HG2 THR 23 1HG2 THR 23 -7.492 5.015 13.946 6 H SER 24 H SER 24 -3.286 6.411 14.826 7 HA SER 24 HA SER 24 -4.184 8.106 12.982 8 1HB SER 24 1HB SER 24 -1.460 6.783 12.901 9 2HB SER 24 2HB SER 24 -1.884 8.266 12.051 10 HG SER 24 HG SER 24 -1.527 7.811 14.798 11 H SER 25 H SER 25 -4.883 8.092 10.928 12 HA SER 25 HA SER 25 -5.601 5.769 9.623 13 1HB SER 25 1HB SER 25 -4.993 8.355 8.201 14 2HB SER 25 2HB SER 25 -6.218 7.148 7.800 15 HG SER 25 HG SER 25 -6.829 7.819 10.205 16 H LEU 26 H LEU 26 -3.655 4.482 9.818 17 HA LEU 26 HA LEU 26 -1.866 4.887 7.536 18 1HB LEU 26 1HB LEU 26 -1.106 4.097 10.336 19 2HB LEU 26 2HB LEU 26 -0.045 3.890 8.955 20 HG LEU 26 HG LEU 26 -1.104 6.525 9.982 21 1HD1 LEU 26 1HD1 LEU 26 0.597 5.478 11.423 22 1HD2 LEU 26 1HD2 LEU 26 0.889 5.982 7.789 23 H GLU 27 H GLU 27 -2.697 2.518 10.038 24 HA GLU 27 HA GLU 27 -2.424 0.397 8.048 25 1HB GLU 27 1HB GLU 27 -2.316 -1.143 9.848 26 2HB GLU 27 2HB GLU 27 -1.312 0.226 10.302 27 1HG GLU 27 1HG GLU 27 -2.849 0.986 11.879 28 2HG GLU 27 2HG GLU 27 -4.165 0.037 11.194 29 H THR 28 H THR 28 -4.768 2.367 9.254 30 HA THR 28 HA THR 28 -6.893 0.538 8.427 31 HB THR 28 HB THR 28 -7.323 2.357 10.776 32 HG1 THR 28 HG1 THR 28 -5.819 0.036 10.680 33 1HG2 THR 28 1HG2 THR 28 -9.201 1.237 9.546 34 H ILE 29 H ILE 29 -5.478 2.708 7.201 35 HA ILE 29 HA ILE 29 -6.761 5.176 7.288 36 HB ILE 29 HB ILE 29 -5.908 4.370 4.607 37 2HG1 ILE 29 2HG1 ILE 29 -4.343 2.964 5.694 38 1HG2 ILE 29 1HG2 ILE 29 -6.323 6.684 5.265 39 1HD1 ILE 29 1HD1 ILE 29 -2.154 4.307 5.705 40 H GLU 30 H GLU 30 -8.007 6.094 5.379 41 HA GLU 30 HA GLU 30 -10.466 4.695 5.175 42 1HB GLU 30 1HB GLU 30 -11.112 6.661 3.719 43 2HB GLU 30 2HB GLU 30 -10.626 7.036 5.361 44 1HG GLU 30 1HG GLU 30 -9.660 8.660 3.937 45 2HG GLU 30 2HG GLU 30 -8.366 7.611 4.497 46 H GLY 31 H GLY 31 -8.518 3.093 3.997 47 1HA GLY 31 1HA GLY 31 -9.779 2.371 1.605 48 2HA GLY 31 2HA GLY 31 -8.375 3.353 1.187 49 H VAL 32 H VAL 32 -6.771 2.638 3.311 50 HA VAL 32 HA VAL 32 -6.249 -0.185 2.718 51 HB VAL 32 HB VAL 32 -4.218 0.598 2.092 52 1HG1 VAL 32 1HG1 VAL 32 -3.353 2.829 2.642 53 1HG2 VAL 32 1HG2 VAL 32 -2.639 0.817 3.884 54 H GLY 33 H GLY 33 -6.004 -1.544 4.320 55 1HA GLY 33 1HA GLY 33 -5.255 -1.310 6.881 56 2HA GLY 33 2HA GLY 33 -6.911 -0.721 6.943 57 HA PRO 34 HA PRO 34 -8.675 -4.767 6.491 58 1HB PRO 34 1HB PRO 34 -9.492 -5.166 3.904 59 2HB PRO 34 2HB PRO 34 -10.350 -4.131 5.043 60 1HG PRO 34 1HG PRO 34 -8.380 -3.369 2.929 61 2HG PRO 34 2HG PRO 34 -9.945 -2.627 3.319 62 1HD PRO 34 1HD PRO 34 -7.665 -1.552 4.167 63 2HD PRO 34 2HD PRO 34 -9.109 -1.560 5.199 64 H LYS 35 H LYS 35 -7.947 -5.254 3.197 65 HA LYS 35 HA LYS 35 -5.725 -7.055 3.884 66 1HB LYS 35 1HB LYS 35 -7.567 -7.283 1.501 67 2HB LYS 35 2HB LYS 35 -6.412 -8.476 2.074 68 1HG LYS 35 1HG LYS 35 -8.843 -7.590 3.607 69 2HG LYS 35 2HG LYS 35 -8.749 -9.046 2.613 70 1HD LYS 35 1HD LYS 35 -6.824 -8.508 4.854 71 2HD LYS 35 2HD LYS 35 -8.370 -9.311 5.125 72 1HE LYS 35 1HE LYS 35 -6.203 -10.235 3.242 73 2HE LYS 35 2HE LYS 35 -6.541 -10.914 4.833 74 1HZ LYS 35 1HZ LYS 35 -7.508 -12.179 2.956 75 2HZ LYS 35 2HZ LYS 35 -8.497 -10.860 2.606 76 3HZ LYS 35 3HZ LYS 35 -8.657 -11.663 4.082 77 H ARG 36 H ARG 36 -6.597 -4.227 2.477 78 HA ARG 36 HA ARG 36 -5.461 -3.870 0.093 79 1HB ARG 36 1HB ARG 36 -6.695 -2.223 1.399 80 2HB ARG 36 2HB ARG 36 -5.338 -2.069 2.505 81 1HG ARG 36 1HG ARG 36 -5.175 -0.262 1.111 82 2HG ARG 36 2HG ARG 36 -4.014 -1.420 0.457 83 1HD ARG 36 1HD ARG 36 -5.394 -0.367 -1.267 84 2HD ARG 36 2HD ARG 36 -5.593 -2.105 -1.226 85 HE ARG 36 HE ARG 36 -7.519 -0.194 -0.054 86 1HH1 ARG 36 1HH1 ARG 36 -6.803 -3.137 -1.828 87 1HH2 ARG 36 1HH2 ARG 36 -9.685 -0.792 -0.260 88 H ARG 37 H ARG 37 -3.730 -3.242 3.150 89 HA ARG 37 HA ARG 37 -1.235 -2.852 1.960 90 1HB ARG 37 1HB ARG 37 -2.025 -3.717 4.734 91 2HB ARG 37 2HB ARG 37 -0.345 -3.479 4.277 92 1HG ARG 37 1HG ARG 37 -2.293 -1.308 3.726 93 2HG ARG 37 2HG ARG 37 -1.745 -1.558 5.387 94 1HD ARG 37 1HD ARG 37 0.515 -1.184 4.786 95 2HD ARG 37 2HD ARG 37 0.149 -1.307 3.066 96 HE ARG 37 HE ARG 37 -0.411 0.898 3.076 97 1HH1 ARG 37 1HH1 ARG 37 -0.502 -0.294 6.352 98 1HH2 ARG 37 1HH2 ARG 37 -0.898 2.958 3.998 99 H GLN 38 H GLN 38 -2.663 -5.714 3.463 100 HA GLN 38 HA GLN 38 -0.649 -7.518 3.142 101 1HB GLN 38 1HB GLN 38 -3.571 -7.677 3.220 102 2HB GLN 38 2HB GLN 38 -2.810 -9.009 2.359 103 1HG GLN 38 1HG GLN 38 -2.244 -8.143 5.176 104 2HG GLN 38 2HG GLN 38 -3.143 -9.562 4.665 105 1HE2 GLN 38 1HE2 GLN 38 -1.822 -10.975 5.715 106 H MET 39 H MET 39 -2.896 -6.322 0.704 107 HA MET 39 HA MET 39 -2.344 -8.016 -1.384 108 1HB MET 39 1HB MET 39 -2.557 -4.999 -1.590 109 2HB MET 39 2HB MET 39 -2.799 -6.145 -2.900 110 1HG MET 39 1HG MET 39 -4.769 -7.011 -1.884 111 2HG MET 39 2HG MET 39 -4.478 -6.086 -0.414 112 1HE MET 39 1HE MET 39 -5.646 -6.050 -4.111 113 2HE MET 39 2HE MET 39 -4.215 -5.025 -4.224 114 3HE MET 39 3HE MET 39 -5.816 -4.327 -4.454 115 H LEU 40 H LEU 40 -0.606 -5.022 -0.612 116 HA LEU 40 HA LEU 40 1.487 -5.216 -2.364 117 1HB LEU 40 1HB LEU 40 1.596 -4.343 0.527 118 2HB LEU 40 2HB LEU 40 2.855 -4.058 -0.657 119 HG LEU 40 HG LEU 40 1.504 -2.067 -0.363 120 1HD1 LEU 40 1HD1 LEU 40 1.190 -3.450 -3.010 121 1HD2 LEU 40 1HD2 LEU 40 -0.809 -1.959 -0.899 122 H LEU 41 H LEU 41 1.424 -6.385 0.966 123 HA LEU 41 HA LEU 41 3.864 -7.673 0.998 124 1HB LEU 41 1HB LEU 41 1.341 -8.216 2.538 125 2HB LEU 41 2HB LEU 41 2.866 -8.987 2.887 126 HG LEU 41 HG LEU 41 2.510 -7.084 4.377 127 1HD1 LEU 41 1HD1 LEU 41 4.799 -7.724 3.477 128 1HD2 LEU 41 1HD2 LEU 41 2.632 -5.462 1.864 129 H LYS 42 H LYS 42 0.750 -8.943 -0.040 130 HA LYS 42 HA LYS 42 1.793 -11.563 -0.527 131 1HB LYS 42 1HB LYS 42 -0.762 -10.132 -1.197 132 2HB LYS 42 2HB LYS 42 -0.386 -11.668 -1.973 133 1HG LYS 42 1HG LYS 42 -1.810 -11.710 0.149 134 2HG LYS 42 2HG LYS 42 -0.465 -12.846 0.030 135 1HD LYS 42 1HD LYS 42 0.926 -11.211 1.305 136 2HD LYS 42 2HD LYS 42 -0.528 -10.243 1.546 137 1HE LYS 42 1HE LYS 42 -0.142 -13.105 2.426 138 2HE LYS 42 2HE LYS 42 -0.041 -11.693 3.473 139 1HZ LYS 42 1HZ LYS 42 -2.477 -12.162 1.902 140 2HZ LYS 42 2HZ LYS 42 -2.297 -11.357 3.372 141 3HZ LYS 42 3HZ LYS 42 -2.226 -13.040 3.319 142 H TYR 43 H TYR 43 1.677 -8.570 -2.129 143 HA TYR 43 HA TYR 43 2.210 -9.597 -4.774 144 1HB TYR 43 1HB TYR 43 1.894 -6.878 -3.548 145 2HB TYR 43 2HB TYR 43 2.586 -7.029 -5.152 146 HD1 TYR 43 HD1 TYR 43 0.875 -6.023 -6.440 147 HD2 TYR 43 HD2 TYR 43 -0.102 -9.143 -3.722 148 HE1 TYR 43 HE1 TYR 43 -1.398 -6.123 -7.379 149 HE2 TYR 43 HE2 TYR 43 -2.371 -9.253 -4.655 150 HH TYR 43 HH TYR 43 -3.261 -7.621 -7.545 151 H MET 44 H MET 44 4.035 -8.216 -2.129 152 HA MET 44 HA MET 44 6.491 -8.377 -3.692 153 1HB MET 44 1HB MET 44 7.407 -7.018 -1.728 154 2HB MET 44 2HB MET 44 6.287 -6.235 -2.827 155 1HG MET 44 1HG MET 44 4.496 -6.459 -1.273 156 2HG MET 44 2HG MET 44 5.492 -7.384 -0.155 157 1HE MET 44 1HE MET 44 6.240 -4.444 -2.428 158 2HE MET 44 2HE MET 44 6.491 -3.071 -1.356 159 3HE MET 44 3HE MET 44 4.858 -3.655 -1.665 160 H GLY 45 H GLY 45 4.864 -9.610 -0.908 161 1HA GLY 45 1HA GLY 45 5.236 -11.590 0.178 162 2HA GLY 45 2HA GLY 45 6.707 -11.803 -0.756 163 H GLY 46 H GLY 46 6.118 -8.864 1.026 164 1HA GLY 46 1HA GLY 46 6.997 -9.444 3.509 165 2HA GLY 46 2HA GLY 46 8.476 -9.327 2.576 166 H LEU 47 H LEU 47 6.694 -7.690 4.611 167 HA LEU 47 HA LEU 47 6.132 -5.221 3.557 168 1HB LEU 47 1HB LEU 47 5.610 -5.744 5.848 169 2HB LEU 47 2HB LEU 47 7.307 -5.901 6.247 170 HG LEU 47 HG LEU 47 7.616 -3.490 5.812 171 1HD1 LEU 47 1HD1 LEU 47 5.057 -2.461 5.947 172 1HD2 LEU 47 1HD2 LEU 47 5.480 -4.201 7.817 173 H GLN 48 H GLN 48 9.158 -6.675 4.241 174 HA GLN 48 HA GLN 48 10.921 -4.590 4.356 175 1HB GLN 48 1HB GLN 48 11.060 -7.339 3.787 176 2HB GLN 48 2HB GLN 48 11.839 -6.535 2.432 177 1HG GLN 48 1HG GLN 48 13.486 -7.097 4.086 178 2HG GLN 48 2HG GLN 48 13.299 -5.342 4.022 179 1HE2 GLN 48 1HE2 GLN 48 10.989 -7.476 5.537 180 H GLY 49 H GLY 49 9.337 -6.010 1.562 181 1HA GLY 49 1HA GLY 49 10.624 -4.282 -0.332 182 2HA GLY 49 2HA GLY 49 9.304 -5.395 -0.653 183 H LEU 50 H LEU 50 7.938 -4.078 1.724 184 HA LEU 50 HA LEU 50 6.515 -2.151 0.109 185 1HB LEU 50 1HB LEU 50 5.100 -3.528 1.388 186 2HB LEU 50 2HB LEU 50 6.078 -3.330 2.829 187 HG LEU 50 HG LEU 50 5.307 -1.112 3.154 188 1HD1 LEU 50 1HD1 LEU 50 3.682 -1.334 0.631 189 1HD2 LEU 50 1HD2 LEU 50 3.099 -1.526 3.749 190 H ARG 51 H ARG 51 8.223 -2.180 3.193 191 HA ARG 51 HA ARG 51 8.185 0.611 3.550 192 1HB ARG 51 1HB ARG 51 9.969 -1.559 4.628 193 2HB ARG 51 2HB ARG 51 10.084 0.126 5.143 194 1HG ARG 51 1HG ARG 51 7.691 0.022 5.777 195 2HG ARG 51 2HG ARG 51 7.724 -1.698 5.408 196 1HD ARG 51 1HD ARG 51 9.031 -2.196 7.222 197 2HD ARG 51 2HD ARG 51 9.748 -0.588 7.271 198 HE ARG 51 HE ARG 51 6.957 -1.077 8.086 199 1HH1 ARG 51 1HH1 ARG 51 10.115 0.293 8.643 200 1HH2 ARG 51 1HH2 ARG 51 6.328 0.003 9.994 201 H ASN 52 H ASN 52 9.880 -1.520 1.576 202 HA ASN 52 HA ASN 52 11.978 0.406 0.911 203 1HB ASN 52 1HB ASN 52 11.467 -2.473 0.182 204 2HB ASN 52 2HB ASN 52 12.569 -1.494 -0.779 205 1HD2 ASN 52 1HD2 ASN 52 12.187 -1.061 2.655 206 H ALA 53 H ALA 53 8.872 -0.270 0.186 207 HA ALA 53 HA ALA 53 9.046 0.743 -2.572 208 1HB ALA 53 1HB ALA 53 6.949 -0.953 -1.227 209 2HB ALA 53 2HB ALA 53 8.005 -1.407 -2.569 210 3HB ALA 53 3HB ALA 53 6.734 -0.205 -2.803 211 H SER 54 H SER 54 8.795 2.915 -2.431 212 HA SER 54 HA SER 54 6.921 4.000 -0.506 213 1HB SER 54 1HB SER 54 8.575 5.506 -2.539 214 2HB SER 54 2HB SER 54 7.865 6.126 -1.050 215 HG SER 54 HG SER 54 9.437 4.036 -0.483 216 H VAL 55 H VAL 55 5.915 6.145 -1.935 217 HA VAL 55 HA VAL 55 3.648 5.162 -3.079 218 HB VAL 55 HB VAL 55 5.107 7.704 -3.205 219 1HG1 VAL 55 1HG1 VAL 55 4.763 7.308 -5.594 220 1HG2 VAL 55 1HG2 VAL 55 3.068 6.859 -1.765 221 H GLU 56 H GLU 56 6.727 5.824 -4.590 222 HA GLU 56 HA GLU 56 6.142 5.539 -7.262 223 1HB GLU 56 1HB GLU 56 8.560 4.484 -7.208 224 2HB GLU 56 2HB GLU 56 8.305 6.194 -6.882 225 1HG GLU 56 1HG GLU 56 8.059 4.468 -4.545 226 2HG GLU 56 2HG GLU 56 9.653 4.465 -5.284 227 H GLU 57 H GLU 57 7.258 2.984 -5.054 228 HA GLU 57 HA GLU 57 6.881 0.941 -7.010 229 1HB GLU 57 1HB GLU 57 7.942 1.220 -4.290 230 2HB GLU 57 2HB GLU 57 7.202 -0.325 -4.649 231 1HG GLU 57 1HG GLU 57 9.629 -0.234 -5.044 232 2HG GLU 57 2HG GLU 57 8.696 -0.700 -6.461 233 H ILE 58 H ILE 58 5.366 1.883 -3.960 234 HA ILE 58 HA ILE 58 3.433 -0.084 -3.837 235 HB ILE 58 HB ILE 58 3.386 2.781 -2.905 236 2HG1 ILE 58 2HG1 ILE 58 4.975 0.975 -1.936 237 1HG2 ILE 58 1HG2 ILE 58 1.396 0.593 -2.366 238 1HD1 ILE 58 1HD1 ILE 58 3.120 2.387 -0.032 239 H ALA 59 H ALA 59 3.706 2.789 -5.753 240 HA ALA 59 HA ALA 59 0.967 2.799 -6.614 241 1HB ALA 59 1HB ALA 59 2.220 4.853 -6.642 242 2HB ALA 59 2HB ALA 59 1.751 4.439 -8.291 243 3HB ALA 59 3HB ALA 59 3.404 4.156 -7.748 244 H LYS 60 H LYS 60 2.356 0.238 -6.907 245 HA LYS 60 HA LYS 60 2.108 -0.051 -9.830 246 1HB LYS 60 1HB LYS 60 4.180 -1.106 -7.973 247 2HB LYS 60 2HB LYS 60 3.657 -2.152 -9.281 248 1HG LYS 60 1HG LYS 60 5.600 -0.932 -9.965 249 2HG LYS 60 2HG LYS 60 4.204 -0.377 -10.888 250 1HD LYS 60 1HD LYS 60 3.998 1.496 -9.204 251 2HD LYS 60 2HD LYS 60 5.581 1.012 -8.600 252 1HE LYS 60 1HE LYS 60 6.499 1.341 -10.877 253 2HE LYS 60 2HE LYS 60 4.918 1.916 -11.398 254 1HZ LYS 60 1HZ LYS 60 6.350 3.760 -10.895 255 2HZ LYS 60 2HZ LYS 60 6.643 3.172 -9.341 256 3HZ LYS 60 3HZ LYS 60 5.102 3.706 -9.761 257 H VAL 61 H VAL 61 0.219 -0.249 -7.623 258 HA VAL 61 HA VAL 61 -0.654 -3.021 -8.060 259 HB VAL 61 HB VAL 61 -1.765 -2.117 -5.617 260 1HG1 VAL 61 1HG1 VAL 61 0.320 -3.921 -5.050 261 1HG2 VAL 61 1HG2 VAL 61 1.078 -1.327 -5.954 262 HA PRO 62 HA PRO 62 -4.827 -1.899 -9.105 263 1HB PRO 62 1HB PRO 62 -6.079 -1.921 -6.515 264 2HB PRO 62 2HB PRO 62 -6.158 -3.153 -7.774 265 1HG PRO 62 1HG PRO 62 -4.422 -2.990 -5.385 266 2HG PRO 62 2HG PRO 62 -4.988 -4.420 -6.268 267 1HD PRO 62 1HD PRO 62 -2.467 -3.609 -6.433 268 2HD PRO 62 2HD PRO 62 -3.301 -4.250 -7.854 269 H GLY 63 H GLY 63 -6.762 -0.450 -7.510 270 1HA GLY 63 1HA GLY 63 -6.508 2.107 -8.115 271 2HA GLY 63 2HA GLY 63 -7.158 1.646 -6.549 272 H ILE 64 H ILE 64 -4.479 0.504 -5.816 273 HA ILE 64 HA ILE 64 -3.469 2.618 -4.373 274 HB ILE 64 HB ILE 64 -1.690 0.393 -5.311 275 2HG1 ILE 64 2HG1 ILE 64 -3.669 -0.781 -4.757 276 1HG2 ILE 64 1HG2 ILE 64 -0.570 0.697 -3.292 277 1HD1 ILE 64 1HD1 ILE 64 -2.140 -0.722 -2.173 278 H SER 65 H SER 65 -3.372 4.370 -5.802 279 HA SER 65 HA SER 65 -1.138 4.316 -7.717 280 1HB SER 65 1HB SER 65 -2.368 6.391 -8.577 281 2HB SER 65 2HB SER 65 -3.173 4.839 -8.807 282 HG SER 65 HG SER 65 -4.513 5.267 -7.112 283 H GLN 66 H GLN 66 -2.895 6.816 -6.033 284 HA GLN 66 HA GLN 66 -0.416 7.746 -4.760 285 1HB GLN 66 1HB GLN 66 -2.589 9.292 -6.163 286 2HB GLN 66 2HB GLN 66 -1.574 10.059 -4.950 287 1HG GLN 66 1HG GLN 66 -0.648 8.781 -7.508 288 2HG GLN 66 2HG GLN 66 -0.741 10.508 -7.173 289 1HE2 GLN 66 1HE2 GLN 66 0.208 10.241 -4.456 290 H GLY 67 H GLY 67 -3.935 8.031 -4.767 291 1HA GLY 67 1HA GLY 67 -4.352 8.879 -2.184 292 2HA GLY 67 2HA GLY 67 -5.457 7.818 -3.052 293 H LEU 68 H LEU 68 -4.034 5.520 -3.315 294 HA LEU 68 HA LEU 68 -4.014 4.573 -0.570 295 1HB LEU 68 1HB LEU 68 -4.924 3.438 -2.841 296 2HB LEU 68 2HB LEU 68 -3.313 2.754 -2.790 297 HG LEU 68 HG LEU 68 -4.764 1.191 -1.760 298 1HD1 LEU 68 1HD1 LEU 68 -2.604 1.509 -0.707 299 1HD2 LEU 68 1HD2 LEU 68 -6.159 1.762 0.189 300 H ALA 69 H ALA 69 -1.828 4.646 -3.342 301 HA ALA 69 HA ALA 69 0.353 3.391 -2.277 302 1HB ALA 69 1HB ALA 69 0.270 4.215 -4.589 303 2HB ALA 69 2HB ALA 69 1.754 4.708 -3.771 304 3HB ALA 69 3HB ALA 69 0.441 5.868 -3.994 305 H GLU 70 H GLU 70 -0.138 6.918 -2.213 306 HA GLU 70 HA GLU 70 1.878 7.603 -0.472 307 1HB GLU 70 1HB GLU 70 -0.897 8.795 -0.496 308 2HB GLU 70 2HB GLU 70 0.574 9.594 0.041 309 1HG GLU 70 1HG GLU 70 1.408 9.460 -2.270 310 2HG GLU 70 2HG GLU 70 -0.120 8.738 -2.736 311 H LYS 71 H LYS 71 -1.444 6.715 0.258 312 HA LYS 71 HA LYS 71 -1.457 6.921 3.002 313 1HB LYS 71 1HB LYS 71 -2.913 5.243 1.003 314 2HB LYS 71 2HB LYS 71 -3.163 4.943 2.708 315 1HG LYS 71 1HG LYS 71 -4.697 6.578 1.400 316 2HG LYS 71 2HG LYS 71 -4.221 6.931 3.058 317 1HD LYS 71 1HD LYS 71 -2.754 8.605 2.420 318 2HD LYS 71 2HD LYS 71 -2.543 7.950 0.799 319 1HE LYS 71 1HE LYS 71 -4.699 8.705 0.130 320 2HE LYS 71 2HE LYS 71 -5.114 9.165 1.779 321 1HZ LYS 71 1HZ LYS 71 -4.528 11.103 0.524 322 2HZ LYS 71 2HZ LYS 71 -3.049 10.431 0.069 323 3HZ LYS 71 3HZ LYS 71 -3.332 10.829 1.682 324 H ILE 72 H ILE 72 -0.394 4.278 0.954 325 HA ILE 72 HA ILE 72 0.264 2.523 3.128 326 HB ILE 72 HB ILE 72 1.212 2.455 0.262 327 2HG1 ILE 72 2HG1 ILE 72 -1.166 2.329 0.284 328 1HG2 ILE 72 1HG2 ILE 72 1.022 0.079 2.061 329 1HD1 ILE 72 1HD1 ILE 72 -0.010 -0.441 0.127 330 H PHE 73 H PHE 73 1.845 4.879 1.179 331 HA PHE 73 HA PHE 73 4.518 4.331 1.816 332 1HB PHE 73 1HB PHE 73 4.197 5.725 -0.016 333 2HB PHE 73 2HB PHE 73 3.001 6.708 0.812 334 HD1 PHE 73 HD1 PHE 73 3.676 8.486 2.318 335 HD2 PHE 73 HD2 PHE 73 6.550 6.158 0.217 336 HE1 PHE 73 HE1 PHE 73 5.400 10.157 2.839 337 HE2 PHE 73 HE2 PHE 73 8.284 7.829 0.729 338 HZ PHE 73 HZ PHE 73 7.704 9.844 2.006 339 H TRP 74 H TRP 74 2.261 6.683 3.226 340 HA TRP 74 HA TRP 74 3.912 7.825 5.117 341 1HB TRP 74 1HB TRP 74 0.953 7.252 5.336 342 2HB TRP 74 2HB TRP 74 1.846 8.362 6.368 343 HD1 TRP 74 HD1 TRP 74 0.066 8.174 3.086 344 HE1 TRP 74 HE1 TRP 74 0.223 10.441 1.880 345 HE3 TRP 74 HE3 TRP 74 3.584 10.429 6.038 346 HZ2 TRP 74 HZ2 TRP 74 1.645 12.859 2.143 347 HZ3 TRP 74 HZ3 TRP 74 4.283 12.723 5.494 348 HH2 TRP 74 HH2 TRP 74 3.333 13.913 3.584 349 H SER 75 H SER 75 1.779 5.013 5.573 350 HA SER 75 HA SER 75 2.190 4.585 8.258 351 1HB SER 75 1HB SER 75 1.881 2.453 6.141 352 2HB SER 75 2HB SER 75 1.547 2.267 7.863 353 HG SER 75 HG SER 75 0.280 4.413 6.750 354 H LEU 76 H LEU 76 4.374 3.857 5.630 355 HA LEU 76 HA LEU 76 6.231 2.666 7.574 356 1HB LEU 76 1HB LEU 76 7.251 2.124 5.084 357 2HB LEU 76 2HB LEU 76 6.326 1.022 6.083 358 HG LEU 76 HG LEU 76 4.782 2.856 4.350 359 1HD1 LEU 76 1HD1 LEU 76 6.387 0.523 3.329 360 1HD2 LEU 76 1HD2 LEU 76 3.273 1.030 4.288 361 H LYS 77 H LYS 77 6.341 4.388 4.505 362 HA LYS 77 HA LYS 77 8.927 5.496 5.011 363 1HB LYS 77 1HB LYS 77 6.959 5.479 2.808 364 2HB LYS 77 2HB LYS 77 8.066 6.846 2.859 365 1HG LYS 77 1HG LYS 77 8.904 5.075 1.424 366 2HG LYS 77 2HG LYS 77 9.964 5.323 2.812 367 1HD LYS 77 1HD LYS 77 7.804 3.287 3.015 368 2HD LYS 77 2HD LYS 77 9.232 2.906 2.052 369 1HE LYS 77 1HE LYS 77 9.188 3.731 4.950 370 2HE LYS 77 2HE LYS 77 9.507 2.115 4.327 371 1HZ LYS 77 1HZ LYS 77 11.524 3.363 4.937 372 2HZ LYS 77 2HZ LYS 77 11.186 4.485 3.721 373 3HZ LYS 77 3HZ LYS 77 11.511 2.879 3.320 374 H HIS 78 H HIS 78 7.267 6.348 7.075 375 HA HIS 78 HA HIS 78 7.823 9.028 7.256 376 1HB HIS 78 1HB HIS 78 5.563 8.594 5.539 377 2HB HIS 78 2HB HIS 78 5.034 9.439 6.989 378 HD1 HIS 78 HD1 HIS 78 5.623 11.895 7.179 379 HD2 HIS 78 HD2 HIS 78 7.556 10.014 4.019 380 HE1 HIS 78 HE1 HIS 78 6.698 13.730 5.845 381 HE2 HIS 78 HE2 HIS 78 7.716 12.579 3.857 Start of MODEL 16 1 H THR 23 H THR 23 -3.957 12.444 5.906 2 HA THR 23 HA THR 23 -4.316 11.060 8.470 3 HB THR 23 HB THR 23 -6.197 13.143 7.408 4 HG1 THR 23 HG1 THR 23 -3.609 13.518 8.495 5 1HG2 THR 23 1HG2 THR 23 -5.269 12.422 10.190 6 H SER 24 H SER 24 -4.792 10.403 5.394 7 HA SER 24 HA SER 24 -7.515 9.752 5.159 8 1HB SER 24 1HB SER 24 -5.175 8.412 3.781 9 2HB SER 24 2HB SER 24 -6.850 8.454 3.230 10 HG SER 24 HG SER 24 -5.777 10.931 3.716 11 H SER 25 H SER 25 -8.284 7.436 4.904 12 HA SER 25 HA SER 25 -7.083 5.721 6.981 13 1HB SER 25 1HB SER 25 -10.016 5.585 6.464 14 2HB SER 25 2HB SER 25 -9.127 5.329 7.962 15 HG SER 25 HG SER 25 -8.801 7.585 8.077 16 H LEU 26 H LEU 26 -6.741 5.764 4.073 17 HA LEU 26 HA LEU 26 -8.239 3.883 2.719 18 1HB LEU 26 1HB LEU 26 -5.430 4.840 2.427 19 2HB LEU 26 2HB LEU 26 -5.999 3.518 1.431 20 HG LEU 26 HG LEU 26 -6.178 5.622 0.229 21 1HD1 LEU 26 1HD1 LEU 26 -8.975 4.858 0.979 22 1HD2 LEU 26 1HD2 LEU 26 -6.382 7.127 2.117 23 H GLU 27 H GLU 27 -6.188 3.325 5.353 24 HA GLU 27 HA GLU 27 -5.877 0.495 4.633 25 1HB GLU 27 1HB GLU 27 -4.478 0.383 6.716 26 2HB GLU 27 2HB GLU 27 -3.824 1.350 5.412 27 1HG GLU 27 1HG GLU 27 -5.344 2.498 7.722 28 2HG GLU 27 2HG GLU 27 -3.598 2.326 7.680 29 H THR 28 H THR 28 -7.572 2.681 6.600 30 HA THR 28 HA THR 28 -8.615 0.581 8.333 31 HB THR 28 HB THR 28 -9.415 3.464 8.529 32 HG1 THR 28 HG1 THR 28 -6.877 2.383 8.853 33 1HG2 THR 28 1HG2 THR 28 -10.379 1.617 9.984 34 H ILE 29 H ILE 29 -9.286 1.493 5.351 35 HA ILE 29 HA ILE 29 -11.953 2.242 5.245 36 HB ILE 29 HB ILE 29 -10.714 0.258 3.343 37 2HG1 ILE 29 2HG1 ILE 29 -9.199 2.169 3.579 38 1HG2 ILE 29 1HG2 ILE 29 -13.036 0.488 2.929 39 1HD1 ILE 29 1HD1 ILE 29 -9.057 2.905 1.331 40 H GLU 30 H GLU 30 -13.781 0.761 4.535 41 HA GLU 30 HA GLU 30 -14.508 -0.849 6.588 42 1HB GLU 30 1HB GLU 30 -16.298 -1.713 5.115 43 2HB GLU 30 2HB GLU 30 -16.136 0.035 5.074 44 1HG GLU 30 1HG GLU 30 -16.431 -0.586 2.842 45 2HG GLU 30 2HG GLU 30 -14.696 -0.305 3.002 46 H GLY 31 H GLY 31 -12.073 -1.712 4.645 47 1HA GLY 31 1HA GLY 31 -11.573 -4.163 5.690 48 2HA GLY 31 2HA GLY 31 -12.724 -4.526 4.406 49 H VAL 32 H VAL 32 -10.142 -2.194 4.691 50 HA VAL 32 HA VAL 32 -9.181 -3.024 2.098 51 HB VAL 32 HB VAL 32 -9.722 -0.678 2.507 52 1HG1 VAL 32 1HG1 VAL 32 -9.041 -0.733 4.925 53 1HG2 VAL 32 1HG2 VAL 32 -6.792 -1.027 2.163 54 H GLY 33 H GLY 33 -7.575 -1.971 5.109 55 1HA GLY 33 1HA GLY 33 -5.072 -2.973 4.603 56 2HA GLY 33 2HA GLY 33 -5.778 -2.853 6.209 57 HA PRO 34 HA PRO 34 -7.055 -7.128 6.764 58 1HB PRO 34 1HB PRO 34 -9.053 -7.620 4.789 59 2HB PRO 34 2HB PRO 34 -9.297 -7.306 6.505 60 1HG PRO 34 1HG PRO 34 -9.348 -5.411 4.211 61 2HG PRO 34 2HG PRO 34 -10.352 -5.428 5.683 62 1HD PRO 34 1HD PRO 34 -8.439 -3.668 5.515 63 2HD PRO 34 2HD PRO 34 -8.576 -4.600 7.016 64 H LYS 35 H LYS 35 -6.762 -6.048 3.429 65 HA LYS 35 HA LYS 35 -4.918 -8.161 2.883 66 1HB LYS 35 1HB LYS 35 -6.568 -8.677 0.766 67 2HB LYS 35 2HB LYS 35 -6.429 -9.680 2.202 68 1HG LYS 35 1HG LYS 35 -8.745 -9.291 1.714 69 2HG LYS 35 2HG LYS 35 -8.317 -8.457 3.206 70 1HD LYS 35 1HD LYS 35 -8.190 -6.349 2.048 71 2HD LYS 35 2HD LYS 35 -8.457 -7.143 0.494 72 1HE LYS 35 1HE LYS 35 -10.395 -6.988 2.798 73 2HE LYS 35 2HE LYS 35 -10.499 -6.092 1.283 74 1HZ LYS 35 1HZ LYS 35 -11.884 -8.208 1.547 75 2HZ LYS 35 2HZ LYS 35 -10.433 -9.038 1.293 76 3HZ LYS 35 3HZ LYS 35 -11.028 -7.996 0.107 77 H ARG 36 H ARG 36 -6.962 -5.582 1.656 78 HA ARG 36 HA ARG 36 -5.846 -5.144 -0.784 79 1HB ARG 36 1HB ARG 36 -7.800 -4.007 0.443 80 2HB ARG 36 2HB ARG 36 -6.575 -2.901 1.040 81 1HG ARG 36 1HG ARG 36 -6.361 -3.308 -1.808 82 2HG ARG 36 2HG ARG 36 -7.965 -2.747 -1.350 83 1HD ARG 36 1HD ARG 36 -7.034 -0.817 -0.258 84 2HD ARG 36 2HD ARG 36 -5.396 -1.405 -0.518 85 HE ARG 36 HE ARG 36 -5.708 -0.969 -2.873 86 1HH1 ARG 36 1HH1 ARG 36 -8.215 0.284 -0.777 87 1HH2 ARG 36 1HH2 ARG 36 -6.387 0.631 -4.366 88 H ARG 37 H ARG 37 -4.930 -3.525 2.248 89 HA ARG 37 HA ARG 37 -2.659 -2.255 1.176 90 1HB ARG 37 1HB ARG 37 -3.266 -3.094 4.020 91 2HB ARG 37 2HB ARG 37 -1.937 -2.041 3.556 92 1HG ARG 37 1HG ARG 37 -4.793 -1.401 2.899 93 2HG ARG 37 2HG ARG 37 -4.034 -0.924 4.420 94 1HD ARG 37 1HD ARG 37 -2.789 -0.278 1.770 95 2HD ARG 37 2HD ARG 37 -4.027 0.755 2.480 96 HE ARG 37 HE ARG 37 -1.420 0.172 3.732 97 1HH1 ARG 37 1HH1 ARG 37 -4.137 2.295 3.130 98 1HH2 ARG 37 1HH2 ARG 37 -0.625 1.849 5.070 99 H GLN 38 H GLN 38 -3.135 -5.318 2.835 100 HA GLN 38 HA GLN 38 -0.498 -6.173 2.992 101 1HB GLN 38 1HB GLN 38 -3.149 -7.482 2.946 102 2HB GLN 38 2HB GLN 38 -1.760 -8.504 2.596 103 1HG GLN 38 1HG GLN 38 -0.867 -8.238 4.674 104 2HG GLN 38 2HG GLN 38 -1.697 -6.713 4.960 105 1HE2 GLN 38 1HE2 GLN 38 -3.863 -6.746 5.608 106 H MET 39 H MET 39 -2.714 -6.078 0.314 107 HA MET 39 HA MET 39 -1.713 -7.879 -1.442 108 1HB MET 39 1HB MET 39 -2.497 -5.017 -2.008 109 2HB MET 39 2HB MET 39 -2.214 -6.219 -3.261 110 1HG MET 39 1HG MET 39 -4.032 -7.557 -2.480 111 2HG MET 39 2HG MET 39 -4.243 -6.529 -1.071 112 1HE MET 39 1HE MET 39 -6.657 -6.736 -1.636 113 2HE MET 39 2HE MET 39 -6.765 -7.256 -3.319 114 3HE MET 39 3HE MET 39 -7.510 -5.739 -2.814 115 H LEU 40 H LEU 40 -0.359 -4.670 -0.715 116 HA LEU 40 HA LEU 40 1.823 -4.716 -2.381 117 1HB LEU 40 1HB LEU 40 1.530 -3.712 0.445 118 2HB LEU 40 2HB LEU 40 2.971 -3.431 -0.518 119 HG LEU 40 HG LEU 40 1.541 -1.499 -0.599 120 1HD1 LEU 40 1HD1 LEU 40 2.831 -2.234 -2.605 121 1HD2 LEU 40 1HD2 LEU 40 -0.558 -3.369 -1.667 122 H LEU 41 H LEU 41 1.611 -5.893 0.958 123 HA LEU 41 HA LEU 41 4.104 -7.090 1.136 124 1HB LEU 41 1HB LEU 41 1.518 -7.358 2.530 125 2HB LEU 41 2HB LEU 41 2.593 -8.737 2.665 126 HG LEU 41 HG LEU 41 2.654 -6.752 4.414 127 1HD1 LEU 41 1HD1 LEU 41 4.915 -7.390 4.951 128 1HD2 LEU 41 1HD2 LEU 41 3.146 -5.148 2.489 129 H LYS 42 H LYS 42 1.106 -8.243 -0.253 130 HA LYS 42 HA LYS 42 2.135 -10.886 -0.757 131 1HB LYS 42 1HB LYS 42 -0.342 -9.405 -1.620 132 2HB LYS 42 2HB LYS 42 0.040 -11.007 -2.239 133 1HG LYS 42 1HG LYS 42 -1.529 -10.998 -0.310 134 2HG LYS 42 2HG LYS 42 -0.072 -11.961 -0.059 135 1HD LYS 42 1HD LYS 42 0.926 -10.135 1.217 136 2HD LYS 42 2HD LYS 42 -0.514 -9.156 0.952 137 1HE LYS 42 1HE LYS 42 -0.909 -10.011 3.057 138 2HE LYS 42 2HE LYS 42 -1.747 -11.176 2.034 139 1HZ LYS 42 1HZ LYS 42 0.159 -12.632 2.176 140 2HZ LYS 42 2HZ LYS 42 -0.394 -12.260 3.725 141 3HZ LYS 42 3HZ LYS 42 0.991 -11.510 3.119 142 H TYR 43 H TYR 43 2.225 -7.832 -2.289 143 HA TYR 43 HA TYR 43 2.798 -8.804 -4.942 144 1HB TYR 43 1HB TYR 43 2.400 -6.191 -3.644 145 2HB TYR 43 2HB TYR 43 3.600 -6.182 -4.929 146 HD1 TYR 43 HD1 TYR 43 2.932 -6.748 -7.247 147 HD2 TYR 43 HD2 TYR 43 0.067 -6.440 -4.120 148 HE1 TYR 43 HE1 TYR 43 1.134 -6.608 -8.919 149 HE2 TYR 43 HE2 TYR 43 -1.737 -6.300 -5.784 150 HH TYR 43 HH TYR 43 -2.066 -5.710 -8.097 151 H MET 44 H MET 44 4.565 -7.584 -2.180 152 HA MET 44 HA MET 44 7.109 -7.951 -3.576 153 1HB MET 44 1HB MET 44 8.011 -6.840 -1.466 154 2HB MET 44 2HB MET 44 7.008 -5.857 -2.521 155 1HG MET 44 1HG MET 44 5.332 -7.138 -0.630 156 2HG MET 44 2HG MET 44 6.677 -6.387 0.227 157 1HE MET 44 1HE MET 44 4.168 -3.990 -2.803 158 2HE MET 44 2HE MET 44 4.611 -5.693 -2.943 159 3HE MET 44 3HE MET 44 5.834 -4.443 -3.158 160 H GLY 45 H GLY 45 5.308 -9.005 -0.756 161 1HA GLY 45 1HA GLY 45 5.384 -11.122 0.207 162 2HA GLY 45 2HA GLY 45 6.869 -11.451 -0.678 163 H GLY 46 H GLY 46 6.147 -8.677 1.405 164 1HA GLY 46 1HA GLY 46 7.137 -9.408 3.796 165 2HA GLY 46 2HA GLY 46 8.592 -9.160 2.837 166 H LEU 47 H LEU 47 6.754 -7.698 5.020 167 HA LEU 47 HA LEU 47 6.003 -5.250 4.174 168 1HB LEU 47 1HB LEU 47 5.896 -5.914 6.518 169 2HB LEU 47 2HB LEU 47 7.633 -5.808 6.650 170 HG LEU 47 HG LEU 47 7.629 -3.479 6.623 171 1HD1 LEU 47 1HD1 LEU 47 6.164 -3.292 4.604 172 1HD2 LEU 47 1HD2 LEU 47 5.174 -4.443 8.054 173 H GLN 48 H GLN 48 9.305 -6.230 4.952 174 HA GLN 48 HA GLN 48 10.634 -3.885 4.427 175 1HB GLN 48 1HB GLN 48 11.834 -5.904 5.121 176 2HB GLN 48 2HB GLN 48 11.480 -6.656 3.577 177 1HG GLN 48 1HG GLN 48 12.819 -5.045 2.422 178 2HG GLN 48 2HG GLN 48 13.120 -4.169 3.920 179 1HE2 GLN 48 1HE2 GLN 48 14.496 -5.063 5.457 180 H GLY 49 H GLY 49 9.776 -6.414 2.113 181 1HA GLY 49 1HA GLY 49 10.638 -5.178 -0.225 182 2HA GLY 49 2HA GLY 49 9.320 -6.340 -0.133 183 H LEU 50 H LEU 50 7.981 -4.482 1.801 184 HA LEU 50 HA LEU 50 6.576 -2.918 -0.191 185 1HB LEU 50 1HB LEU 50 5.076 -3.942 1.265 186 2HB LEU 50 2HB LEU 50 6.092 -3.664 2.665 187 HG LEU 50 HG LEU 50 5.524 -1.295 2.642 188 1HD1 LEU 50 1HD1 LEU 50 3.858 -2.029 0.238 189 1HD2 LEU 50 1HD2 LEU 50 3.009 -2.949 2.461 190 H ARG 51 H ARG 51 8.225 -2.374 2.883 191 HA ARG 51 HA ARG 51 8.021 0.367 2.961 192 1HB ARG 51 1HB ARG 51 10.103 -1.488 4.075 193 2HB ARG 51 2HB ARG 51 10.071 0.236 4.432 194 1HG ARG 51 1HG ARG 51 7.569 -0.332 5.083 195 2HG ARG 51 2HG ARG 51 8.271 -1.932 5.323 196 1HD ARG 51 1HD ARG 51 9.940 -0.981 6.826 197 2HD ARG 51 2HD ARG 51 9.250 0.623 6.575 198 HE ARG 51 HE ARG 51 7.369 -0.007 7.845 199 1HH1 ARG 51 1HH1 ARG 51 9.742 -2.557 7.619 200 1HH2 ARG 51 1HH2 ARG 51 6.558 -1.145 9.659 201 H ASN 52 H ASN 52 10.778 -1.560 1.812 202 HA ASN 52 HA ASN 52 12.275 0.567 0.798 203 1HB ASN 52 1HB ASN 52 13.515 -1.004 -0.444 204 2HB ASN 52 2HB ASN 52 12.939 -1.932 0.942 205 1HD2 ASN 52 1HD2 ASN 52 10.506 -2.653 0.402 206 H ALA 53 H ALA 53 9.310 -0.688 -0.137 207 HA ALA 53 HA ALA 53 9.431 0.376 -2.854 208 1HB ALA 53 1HB ALA 53 7.601 -0.913 -3.346 209 2HB ALA 53 2HB ALA 53 6.956 -0.819 -1.709 210 3HB ALA 53 3HB ALA 53 8.314 -1.891 -2.067 211 H SER 54 H SER 54 9.223 2.565 -2.740 212 HA SER 54 HA SER 54 7.481 3.715 -0.762 213 1HB SER 54 1HB SER 54 9.067 5.038 -2.976 214 2HB SER 54 2HB SER 54 8.267 5.863 -1.639 215 HG SER 54 HG SER 54 10.518 4.160 -1.587 216 H VAL 55 H VAL 55 6.185 5.666 -1.860 217 HA VAL 55 HA VAL 55 3.872 4.707 -2.831 218 HB VAL 55 HB VAL 55 5.282 7.255 -2.947 219 1HG1 VAL 55 1HG1 VAL 55 3.075 6.757 -4.932 220 1HG2 VAL 55 1HG2 VAL 55 3.280 6.260 -1.481 221 H GLU 56 H GLU 56 6.774 5.424 -4.635 222 HA GLU 56 HA GLU 56 5.933 5.308 -7.239 223 1HB GLU 56 1HB GLU 56 8.288 3.972 -7.363 224 2HB GLU 56 2HB GLU 56 8.153 5.719 -7.240 225 1HG GLU 56 1HG GLU 56 8.154 4.171 -4.718 226 2HG GLU 56 2HG GLU 56 9.675 4.269 -5.603 227 H GLU 57 H GLU 57 7.043 2.580 -5.256 228 HA GLU 57 HA GLU 57 6.282 0.654 -7.233 229 1HB GLU 57 1HB GLU 57 7.707 0.728 -4.669 230 2HB GLU 57 2HB GLU 57 6.768 -0.721 -4.951 231 1HG GLU 57 1HG GLU 57 9.234 -0.619 -5.686 232 2HG GLU 57 2HG GLU 57 8.043 -1.374 -6.739 233 H ILE 58 H ILE 58 5.218 1.612 -3.996 234 HA ILE 58 HA ILE 58 3.184 -0.216 -3.653 235 HB ILE 58 HB ILE 58 3.445 2.642 -2.750 236 2HG1 ILE 58 2HG1 ILE 58 4.956 0.668 -1.948 237 1HG2 ILE 58 1HG2 ILE 58 1.428 0.650 -1.748 238 1HD1 ILE 58 1HD1 ILE 58 4.828 2.861 -0.802 239 H ALA 59 H ALA 59 3.396 2.592 -5.640 240 HA ALA 59 HA ALA 59 0.584 2.807 -6.175 241 1HB ALA 59 1HB ALA 59 3.004 4.000 -7.519 242 2HB ALA 59 2HB ALA 59 1.928 4.778 -6.356 243 3HB ALA 59 3HB ALA 59 1.339 4.373 -7.968 244 H LYS 60 H LYS 60 1.733 0.156 -6.590 245 HA LYS 60 HA LYS 60 1.116 -0.134 -9.459 246 1HB LYS 60 1HB LYS 60 3.421 -1.201 -7.911 247 2HB LYS 60 2HB LYS 60 2.687 -2.267 -9.091 248 1HG LYS 60 1HG LYS 60 4.449 -1.203 -10.199 249 2HG LYS 60 2HG LYS 60 2.977 -0.414 -10.769 250 1HD LYS 60 1HD LYS 60 3.459 1.553 -9.714 251 2HD LYS 60 2HD LYS 60 4.354 0.762 -8.414 252 1HE LYS 60 1HE LYS 60 5.290 1.222 -11.245 253 2HE LYS 60 2HE LYS 60 5.894 2.012 -9.789 254 1HZ LYS 60 1HZ LYS 60 6.154 -0.862 -10.477 255 2HZ LYS 60 2HZ LYS 60 6.622 -0.188 -9.005 256 3HZ LYS 60 3HZ LYS 60 7.391 0.283 -10.429 257 H VAL 61 H VAL 61 -0.355 -0.367 -6.855 258 HA VAL 61 HA VAL 61 -1.180 -3.188 -7.090 259 HB VAL 61 HB VAL 61 -2.274 -2.081 -4.730 260 1HG1 VAL 61 1HG1 VAL 61 0.052 -3.957 -5.142 261 1HG2 VAL 61 1HG2 VAL 61 0.690 -1.659 -4.796 262 HA PRO 62 HA PRO 62 -5.356 -2.386 -8.235 263 1HB PRO 62 1HB PRO 62 -6.882 -2.660 -5.926 264 2HB PRO 62 2HB PRO 62 -6.394 -3.977 -6.994 265 1HG PRO 62 1HG PRO 62 -5.137 -3.036 -4.451 266 2HG PRO 62 2HG PRO 62 -5.394 -4.698 -5.030 267 1HD PRO 62 1HD PRO 62 -3.009 -3.586 -5.185 268 2HD PRO 62 2HD PRO 62 -3.604 -4.584 -6.521 269 H GLY 63 H GLY 63 -5.413 -0.257 -8.772 270 1HA GLY 63 1HA GLY 63 -6.062 1.934 -8.628 271 2HA GLY 63 2HA GLY 63 -6.967 1.481 -7.187 272 H ILE 64 H ILE 64 -4.377 0.457 -6.005 273 HA ILE 64 HA ILE 64 -3.752 2.577 -4.434 274 HB ILE 64 HB ILE 64 -1.978 0.259 -5.142 275 2HG1 ILE 64 2HG1 ILE 64 -3.899 -0.757 -4.332 276 1HG2 ILE 64 1HG2 ILE 64 -1.095 2.402 -3.932 277 1HD1 ILE 64 1HD1 ILE 64 -1.908 -1.103 -2.734 278 H SER 65 H SER 65 -3.122 4.401 -5.154 279 HA SER 65 HA SER 65 -0.535 4.656 -6.358 280 1HB SER 65 1HB SER 65 -2.930 5.977 -7.658 281 2HB SER 65 2HB SER 65 -1.276 5.913 -8.249 282 HG SER 65 HG SER 65 -1.816 3.464 -8.096 283 H GLN 66 H GLN 66 -0.351 7.240 -6.538 284 HA GLN 66 HA GLN 66 0.046 8.691 -4.570 285 1HB GLN 66 1HB GLN 66 -2.253 9.332 -6.386 286 2HB GLN 66 2HB GLN 66 -1.642 10.490 -5.211 287 1HG GLN 66 1HG GLN 66 -0.244 9.360 -7.613 288 2HG GLN 66 2HG GLN 66 -0.627 11.041 -7.260 289 1HE2 GLN 66 1HE2 GLN 66 1.588 8.459 -6.786 290 H GLY 67 H GLY 67 -3.430 8.019 -5.063 291 1HA GLY 67 1HA GLY 67 -4.278 8.938 -2.562 292 2HA GLY 67 2HA GLY 67 -5.141 7.768 -3.551 293 H LEU 68 H LEU 68 -3.924 5.527 -3.517 294 HA LEU 68 HA LEU 68 -3.884 4.716 -0.734 295 1HB LEU 68 1HB LEU 68 -4.809 3.533 -3.012 296 2HB LEU 68 2HB LEU 68 -3.269 2.729 -2.845 297 HG LEU 68 HG LEU 68 -4.746 1.305 -1.750 298 1HD1 LEU 68 1HD1 LEU 68 -2.965 1.491 -0.284 299 1HD2 LEU 68 1HD2 LEU 68 -6.000 3.723 -0.480 300 H ALA 69 H ALA 69 -1.715 4.765 -3.490 301 HA ALA 69 HA ALA 69 0.463 3.454 -2.523 302 1HB ALA 69 1HB ALA 69 1.862 4.783 -3.960 303 2HB ALA 69 2HB ALA 69 0.639 6.055 -4.028 304 3HB ALA 69 3HB ALA 69 0.321 4.488 -4.772 305 H GLU 70 H GLU 70 -0.089 6.953 -2.113 306 HA GLU 70 HA GLU 70 2.015 7.319 -0.285 307 1HB GLU 70 1HB GLU 70 -0.550 8.905 -0.440 308 2HB GLU 70 2HB GLU 70 0.973 9.442 0.249 309 1HG GLU 70 1HG GLU 70 1.933 9.104 -2.083 310 2HG GLU 70 2HG GLU 70 0.264 8.996 -2.608 311 H LYS 71 H LYS 71 -1.440 6.756 0.168 312 HA LYS 71 HA LYS 71 -1.689 6.879 2.880 313 1HB LYS 71 1HB LYS 71 -2.948 5.151 0.782 314 2HB LYS 71 2HB LYS 71 -3.371 4.933 2.466 315 1HG LYS 71 1HG LYS 71 -4.660 6.576 0.786 316 2HG LYS 71 2HG LYS 71 -4.618 6.790 2.530 317 1HD LYS 71 1HD LYS 71 -2.983 8.474 2.399 318 2HD LYS 71 2HD LYS 71 -2.542 8.035 0.748 319 1HE LYS 71 1HE LYS 71 -4.397 9.055 -0.162 320 2HE LYS 71 2HE LYS 71 -5.321 8.950 1.336 321 1HZ LYS 71 1HZ LYS 71 -3.142 10.836 0.672 322 2HZ LYS 71 2HZ LYS 71 -3.679 10.601 2.255 323 3HZ LYS 71 3HZ LYS 71 -4.742 11.194 1.084 324 H ILE 72 H ILE 72 -0.440 4.269 0.900 325 HA ILE 72 HA ILE 72 -0.010 2.476 3.102 326 HB ILE 72 HB ILE 72 1.108 2.447 0.296 327 2HG1 ILE 72 2HG1 ILE 72 -1.284 2.291 0.278 328 1HG2 ILE 72 1HG2 ILE 72 1.825 0.237 0.651 329 1HD1 ILE 72 1HD1 ILE 72 -0.534 0.811 -1.330 330 H PHE 73 H PHE 73 2.010 4.470 1.013 331 HA PHE 73 HA PHE 73 4.503 3.866 2.026 332 1HB PHE 73 1HB PHE 73 4.203 5.325 0.096 333 2HB PHE 73 2HB PHE 73 3.465 6.555 1.115 334 HD1 PHE 73 HD1 PHE 73 4.769 8.204 2.068 335 HD2 PHE 73 HD2 PHE 73 6.623 4.657 0.646 336 HE1 PHE 73 HE1 PHE 73 6.977 9.212 2.474 337 HE2 PHE 73 HE2 PHE 73 8.837 5.654 1.043 338 HZ PHE 73 HZ PHE 73 9.017 7.932 1.958 339 H TRP 74 H TRP 74 2.044 6.011 3.285 340 HA TRP 74 HA TRP 74 3.477 7.237 5.316 341 1HB TRP 74 1HB TRP 74 0.588 6.356 5.406 342 2HB TRP 74 2HB TRP 74 1.326 7.584 6.420 343 HD1 TRP 74 HD1 TRP 74 -1.168 8.033 4.370 344 HE1 TRP 74 HE1 TRP 74 -0.963 9.904 2.611 345 HE3 TRP 74 HE3 TRP 74 3.918 8.579 4.329 346 HZ2 TRP 74 HZ2 TRP 74 1.072 11.416 1.386 347 HZ3 TRP 74 HZ3 TRP 74 4.907 10.262 2.839 348 HH2 TRP 74 HH2 TRP 74 3.511 11.650 1.398 349 H SER 75 H SER 75 1.636 4.204 5.401 350 HA SER 75 HA SER 75 2.190 3.603 8.090 351 1HB SER 75 1HB SER 75 1.635 1.628 5.868 352 2HB SER 75 2HB SER 75 1.375 1.385 7.595 353 HG SER 75 HG SER 75 0.109 3.602 6.875 354 H LEU 76 H LEU 76 4.082 3.310 5.221 355 HA LEU 76 HA LEU 76 5.877 1.297 6.053 356 1HB LEU 76 1HB LEU 76 5.865 3.480 4.059 357 2HB LEU 76 2HB LEU 76 7.377 2.709 4.441 358 HG LEU 76 HG LEU 76 6.516 0.586 3.680 359 1HD1 LEU 76 1HD1 LEU 76 4.355 0.397 2.658 360 1HD2 LEU 76 1HD2 LEU 76 5.856 2.627 1.631 361 H LYS 77 H LYS 77 6.966 4.410 5.217 362 HA LYS 77 HA LYS 77 8.677 4.569 7.596 363 1HB LYS 77 1HB LYS 77 9.148 4.673 4.718 364 2HB LYS 77 2HB LYS 77 9.852 6.056 5.578 365 1HG LYS 77 1HG LYS 77 11.590 4.604 5.717 366 2HG LYS 77 2HG LYS 77 10.724 4.139 7.183 367 1HD LYS 77 1HD LYS 77 11.336 2.152 5.963 368 2HD LYS 77 2HD LYS 77 9.586 2.361 5.891 369 1HE LYS 77 1HE LYS 77 10.724 1.711 3.731 370 2HE LYS 77 2HE LYS 77 9.667 3.121 3.662 371 1HZ LYS 77 1HZ LYS 77 11.697 3.559 2.497 372 2HZ LYS 77 2HZ LYS 77 12.625 3.147 3.843 373 3HZ LYS 77 3HZ LYS 77 11.650 4.520 3.882 374 H HIS 78 H HIS 78 5.979 5.772 7.175 375 HA HIS 78 HA HIS 78 6.696 8.458 7.946 376 1HB HIS 78 1HB HIS 78 6.618 8.633 5.495 377 2HB HIS 78 2HB HIS 78 4.988 7.974 5.499 378 HD1 HIS 78 HD1 HIS 78 3.128 9.524 6.651 379 HD2 HIS 78 HD2 HIS 78 6.776 11.334 5.829 380 HE1 HIS 78 HE1 HIS 78 2.677 12.000 6.687 381 HE2 HIS 78 HE2 HIS 78 4.876 13.066 6.066 Start of MODEL 17 1 H THR 23 H THR 23 -6.998 11.639 0.522 2 HA THR 23 HA THR 23 -8.271 12.252 3.072 3 HB THR 23 HB THR 23 -9.288 13.478 0.575 4 HG1 THR 23 HG1 THR 23 -6.610 13.616 1.421 5 1HG2 THR 23 1HG2 THR 23 -9.257 15.493 1.971 6 H SER 24 H SER 24 -8.564 9.870 0.950 7 HA SER 24 HA SER 24 -11.504 9.776 1.114 8 1HB SER 24 1HB SER 24 -9.906 8.086 -0.780 9 2HB SER 24 2HB SER 24 -11.571 8.646 -0.924 10 HG SER 24 HG SER 24 -10.513 10.838 -1.019 11 H SER 25 H SER 25 -9.568 8.943 3.174 12 HA SER 25 HA SER 25 -9.344 7.236 4.678 13 1HB SER 25 1HB SER 25 -11.385 5.617 3.200 14 2HB SER 25 2HB SER 25 -11.142 5.773 4.936 15 HG SER 25 HG SER 25 -11.819 8.076 4.526 16 H LEU 26 H LEU 26 -8.456 7.161 1.636 17 HA LEU 26 HA LEU 26 -8.055 4.670 0.677 18 1HB LEU 26 1HB LEU 26 -6.177 7.016 0.640 19 2HB LEU 26 2HB LEU 26 -5.916 5.568 -0.314 20 HG LEU 26 HG LEU 26 -8.270 7.440 -0.533 21 1HD1 LEU 26 1HD1 LEU 26 -6.082 8.249 -1.418 22 1HD2 LEU 26 1HD2 LEU 26 -8.864 6.074 -2.502 23 H GLU 27 H GLU 27 -6.542 5.904 3.531 24 HA GLU 27 HA GLU 27 -4.521 3.795 3.461 25 1HB GLU 27 1HB GLU 27 -3.682 4.883 5.549 26 2HB GLU 27 2HB GLU 27 -3.642 5.893 4.110 27 1HG GLU 27 1HG GLU 27 -5.896 5.988 6.071 28 2HG GLU 27 2HG GLU 27 -4.439 6.954 6.247 29 H THR 28 H THR 28 -7.546 4.490 4.875 30 HA THR 28 HA THR 28 -7.435 1.997 6.366 31 HB THR 28 HB THR 28 -8.580 4.437 7.693 32 HG1 THR 28 HG1 THR 28 -5.982 4.007 7.187 33 1HG2 THR 28 1HG2 THR 28 -9.276 2.372 8.636 34 H ILE 29 H ILE 29 -8.674 2.936 3.936 35 HA ILE 29 HA ILE 29 -11.294 3.680 4.112 36 HB ILE 29 HB ILE 29 -10.934 1.475 2.239 37 2HG1 ILE 29 2HG1 ILE 29 -8.608 2.316 2.297 38 1HG2 ILE 29 1HG2 ILE 29 -12.793 3.033 2.143 39 1HD1 ILE 29 1HD1 ILE 29 -10.063 3.103 -0.209 40 H GLU 30 H GLU 30 -13.218 2.386 3.853 41 HA GLU 30 HA GLU 30 -13.409 0.416 5.900 42 1HB GLU 30 1HB GLU 30 -15.820 0.392 5.247 43 2HB GLU 30 2HB GLU 30 -15.199 1.987 5.648 44 1HG GLU 30 1HG GLU 30 -16.507 2.328 3.753 45 2HG GLU 30 2HG GLU 30 -14.855 2.301 3.139 46 H GLY 31 H GLY 31 -11.736 -0.383 3.641 47 1HA GLY 31 1HA GLY 31 -12.649 -3.007 3.304 48 2HA GLY 31 2HA GLY 31 -13.160 -2.089 1.893 49 H VAL 32 H VAL 32 -10.283 -1.813 3.871 50 HA VAL 32 HA VAL 32 -8.670 -2.518 1.536 51 HB VAL 32 HB VAL 32 -8.375 -0.213 1.584 52 1HG1 VAL 32 1HG1 VAL 32 -8.296 1.157 3.555 53 1HG2 VAL 32 1HG2 VAL 32 -6.228 -1.052 1.633 54 H GLY 33 H GLY 33 -8.341 -1.753 4.990 55 1HA GLY 33 1HA GLY 33 -6.201 -3.153 5.753 56 2HA GLY 33 2HA GLY 33 -7.656 -3.112 6.735 57 HA PRO 34 HA PRO 34 -9.336 -7.173 5.962 58 1HB PRO 34 1HB PRO 34 -9.920 -6.893 3.107 59 2HB PRO 34 2HB PRO 34 -11.019 -7.230 4.443 60 1HG PRO 34 1HG PRO 34 -10.419 -4.684 3.153 61 2HG PRO 34 2HG PRO 34 -11.723 -5.080 4.288 62 1HD PRO 34 1HD PRO 34 -9.671 -3.452 4.949 63 2HD PRO 34 2HD PRO 34 -10.462 -4.510 6.135 64 H LYS 35 H LYS 35 -7.469 -5.927 3.204 65 HA LYS 35 HA LYS 35 -5.423 -7.859 3.504 66 1HB LYS 35 1HB LYS 35 -5.805 -9.283 1.645 67 2HB LYS 35 2HB LYS 35 -7.290 -9.270 2.575 68 1HG LYS 35 1HG LYS 35 -8.362 -7.855 1.005 69 2HG LYS 35 2HG LYS 35 -6.844 -7.536 0.166 70 1HD LYS 35 1HD LYS 35 -6.751 -10.011 -0.330 71 2HD LYS 35 2HD LYS 35 -8.411 -10.106 0.258 72 1HE LYS 35 1HE LYS 35 -7.413 -8.435 -2.047 73 2HE LYS 35 2HE LYS 35 -8.376 -9.906 -2.160 74 1HZ LYS 35 1HZ LYS 35 -10.188 -8.794 -1.064 75 2HZ LYS 35 2HZ LYS 35 -9.707 -7.884 -2.400 76 3HZ LYS 35 3HZ LYS 35 -9.265 -7.400 -0.848 77 H ARG 36 H ARG 36 -7.021 -5.388 1.772 78 HA ARG 36 HA ARG 36 -5.596 -4.905 -0.469 79 1HB ARG 36 1HB ARG 36 -7.341 -3.480 1.019 80 2HB ARG 36 2HB ARG 36 -5.879 -2.548 1.258 81 1HG ARG 36 1HG ARG 36 -6.005 -3.058 -1.479 82 2HG ARG 36 2HG ARG 36 -7.642 -2.630 -0.978 83 1HD ARG 36 1HD ARG 36 -6.940 -0.578 -0.077 84 2HD ARG 36 2HD ARG 36 -5.243 -1.051 -0.179 85 HE ARG 36 HE ARG 36 -5.390 -0.804 -2.575 86 1HH1 ARG 36 1HH1 ARG 36 -8.124 0.401 -0.774 87 1HH2 ARG 36 1HH2 ARG 36 -6.117 0.575 -4.267 88 H ARG 37 H ARG 37 -4.658 -3.577 2.707 89 HA ARG 37 HA ARG 37 -2.187 -2.601 1.870 90 1HB ARG 37 1HB ARG 37 -1.824 -3.401 4.521 91 2HB ARG 37 2HB ARG 37 -2.205 -1.795 3.920 92 1HG ARG 37 1HG ARG 37 -3.785 -2.321 5.559 93 2HG ARG 37 2HG ARG 37 -4.626 -2.437 4.020 94 1HD ARG 37 1HD ARG 37 -5.077 -4.292 5.661 95 2HD ARG 37 2HD ARG 37 -4.551 -4.810 4.062 96 HE ARG 37 HE ARG 37 -2.329 -4.546 5.782 97 1HH1 ARG 37 1HH1 ARG 37 -5.105 -6.591 5.257 98 1HH2 ARG 37 1HH2 ARG 37 -1.311 -6.422 6.629 99 H GLN 38 H GLN 38 -3.187 -5.758 2.920 100 HA GLN 38 HA GLN 38 -0.583 -6.883 3.140 101 1HB GLN 38 1HB GLN 38 -1.685 -8.670 3.938 102 2HB GLN 38 2HB GLN 38 -3.159 -7.726 3.773 103 1HG GLN 38 1HG GLN 38 -3.470 -8.626 1.519 104 2HG GLN 38 2HG GLN 38 -2.008 -9.584 1.708 105 1HE2 GLN 38 1HE2 GLN 38 -2.569 -10.157 4.525 106 H MET 39 H MET 39 -2.868 -6.414 0.555 107 HA MET 39 HA MET 39 -2.011 -8.251 -1.308 108 1HB MET 39 1HB MET 39 -2.820 -5.388 -1.838 109 2HB MET 39 2HB MET 39 -2.779 -6.671 -3.026 110 1HG MET 39 1HG MET 39 -4.461 -7.885 -1.718 111 2HG MET 39 2HG MET 39 -4.542 -6.513 -0.634 112 1HE MET 39 1HE MET 39 -4.483 -6.869 -4.674 113 2HE MET 39 2HE MET 39 -6.237 -6.832 -4.861 114 3HE MET 39 3HE MET 39 -5.477 -8.100 -3.900 115 H LEU 40 H LEU 40 -0.717 -5.047 -0.562 116 HA LEU 40 HA LEU 40 1.264 -4.781 -2.386 117 1HB LEU 40 1HB LEU 40 1.318 -4.233 0.572 118 2HB LEU 40 2HB LEU 40 2.612 -3.739 -0.507 119 HG LEU 40 HG LEU 40 1.108 -1.893 -0.110 120 1HD1 LEU 40 1HD1 LEU 40 0.813 -3.035 -2.871 121 1HD2 LEU 40 1HD2 LEU 40 -1.208 -1.933 -0.684 122 H LEU 41 H LEU 41 1.400 -6.675 0.599 123 HA LEU 41 HA LEU 41 3.990 -7.687 -0.024 124 1HB LEU 41 1HB LEU 41 2.073 -7.972 2.163 125 2HB LEU 41 2HB LEU 41 3.029 -9.411 1.840 126 HG LEU 41 HG LEU 41 5.052 -7.873 1.884 127 1HD1 LEU 41 1HD1 LEU 41 3.926 -6.005 3.697 128 1HD2 LEU 41 1HD2 LEU 41 3.441 -8.707 4.222 129 H LYS 42 H LYS 42 0.713 -8.963 -0.239 130 HA LYS 42 HA LYS 42 1.441 -11.466 -1.229 131 1HB LYS 42 1HB LYS 42 -0.970 -9.722 -1.635 132 2HB LYS 42 2HB LYS 42 -0.822 -11.267 -2.469 133 1HG LYS 42 1HG LYS 42 -2.033 -11.132 -0.180 134 2HG LYS 42 2HG LYS 42 -0.963 -12.485 -0.535 135 1HD LYS 42 1HD LYS 42 0.870 -11.149 0.611 136 2HD LYS 42 2HD LYS 42 -0.410 -10.071 1.171 137 1HE LYS 42 1HE LYS 42 0.242 -11.855 2.796 138 2HE LYS 42 2HE LYS 42 -1.471 -11.817 2.386 139 1HZ LYS 42 1HZ LYS 42 -1.149 -13.649 0.889 140 2HZ LYS 42 2HZ LYS 42 -0.548 -14.070 2.406 141 3HZ LYS 42 3HZ LYS 42 0.516 -13.654 1.164 142 H TYR 43 H TYR 43 1.734 -8.357 -2.395 143 HA TYR 43 HA TYR 43 2.145 -9.111 -5.167 144 1HB TYR 43 1HB TYR 43 1.619 -6.629 -3.669 145 2HB TYR 43 2HB TYR 43 2.768 -6.439 -4.983 146 HD1 TYR 43 HD1 TYR 43 2.039 -6.410 -7.236 147 HD2 TYR 43 HD2 TYR 43 -0.680 -7.513 -4.160 148 HE1 TYR 43 HE1 TYR 43 0.181 -6.287 -8.845 149 HE2 TYR 43 HE2 TYR 43 -2.543 -7.396 -5.755 150 HH TYR 43 HH TYR 43 -3.174 -6.804 -7.808 151 H MET 44 H MET 44 3.948 -8.061 -2.317 152 HA MET 44 HA MET 44 6.441 -8.300 -3.859 153 1HB MET 44 1HB MET 44 7.499 -6.952 -2.115 154 2HB MET 44 2HB MET 44 6.138 -6.123 -2.849 155 1HG MET 44 1HG MET 44 4.759 -6.559 -0.941 156 2HG MET 44 2HG MET 44 6.005 -7.564 -0.189 157 1HE MET 44 1HE MET 44 5.145 -3.744 -1.287 158 2HE MET 44 2HE MET 44 6.445 -4.404 -2.278 159 3HE MET 44 3HE MET 44 6.789 -3.130 -1.114 160 H GLY 45 H GLY 45 4.953 -9.226 -0.768 161 1HA GLY 45 1HA GLY 45 5.173 -11.375 0.168 162 2HA GLY 45 2HA GLY 45 6.621 -11.619 -0.795 163 H GLY 46 H GLY 46 6.394 -8.619 0.882 164 1HA GLY 46 1HA GLY 46 7.433 -9.431 3.367 165 2HA GLY 46 2HA GLY 46 8.756 -9.029 2.284 166 H LEU 47 H LEU 47 6.680 -7.821 4.566 167 HA LEU 47 HA LEU 47 5.880 -5.349 3.782 168 1HB LEU 47 1HB LEU 47 5.681 -6.414 6.062 169 2HB LEU 47 2HB LEU 47 7.298 -5.847 6.393 170 HG LEU 47 HG LEU 47 4.904 -4.510 6.890 171 1HD1 LEU 47 1HD1 LEU 47 7.751 -3.531 6.829 172 1HD2 LEU 47 1HD2 LEU 47 6.412 -2.974 4.792 173 H GLN 48 H GLN 48 9.126 -6.301 4.769 174 HA GLN 48 HA GLN 48 10.461 -3.934 4.805 175 1HB GLN 48 1HB GLN 48 11.495 -6.212 5.071 176 2HB GLN 48 2HB GLN 48 11.448 -6.371 3.323 177 1HG GLN 48 1HG GLN 48 13.654 -5.731 3.970 178 2HG GLN 48 2HG GLN 48 12.890 -4.375 3.143 179 1HE2 GLN 48 1HE2 GLN 48 13.899 -5.643 6.226 180 H GLY 49 H GLY 49 9.803 -5.880 1.902 181 1HA GLY 49 1HA GLY 49 10.832 -4.176 -0.024 182 2HA GLY 49 2HA GLY 49 9.460 -5.249 -0.284 183 H LEU 50 H LEU 50 7.839 -4.060 1.711 184 HA LEU 50 HA LEU 50 6.724 -1.928 0.158 185 1HB LEU 50 1HB LEU 50 5.183 -3.382 1.178 186 2HB LEU 50 2HB LEU 50 5.999 -3.317 2.719 187 HG LEU 50 HG LEU 50 5.215 -1.121 3.133 188 1HD1 LEU 50 1HD1 LEU 50 5.383 -0.336 0.768 189 1HD2 LEU 50 1HD2 LEU 50 3.636 -2.693 3.827 190 H ARG 51 H ARG 51 8.669 -2.339 2.948 191 HA ARG 51 HA ARG 51 8.420 0.267 4.013 192 1HB ARG 51 1HB ARG 51 10.587 -1.802 4.334 193 2HB ARG 51 2HB ARG 51 10.459 -0.330 5.293 194 1HG ARG 51 1HG ARG 51 8.023 -1.934 5.206 195 2HG ARG 51 2HG ARG 51 9.390 -2.723 5.984 196 1HD ARG 51 1HD ARG 51 8.296 0.004 6.663 197 2HD ARG 51 2HD ARG 51 8.037 -1.470 7.598 198 HE ARG 51 HE ARG 51 10.651 -1.404 7.666 199 1HH1 ARG 51 1HH1 ARG 51 8.476 1.311 7.890 200 1HH2 ARG 51 1HH2 ARG 51 12.044 -0.187 9.009 201 H ASN 52 H ASN 52 10.649 -1.266 1.779 202 HA ASN 52 HA ASN 52 12.154 1.183 1.415 203 1HB ASN 52 1HB ASN 52 13.155 -0.215 -0.552 204 2HB ASN 52 2HB ASN 52 13.561 -0.651 1.104 205 1HD2 ASN 52 1HD2 ASN 52 12.671 -2.483 2.004 206 H ALA 53 H ALA 53 9.603 -0.606 -0.121 207 HA ALA 53 HA ALA 53 9.555 0.859 -2.554 208 1HB ALA 53 1HB ALA 53 8.495 -1.317 -2.425 209 2HB ALA 53 2HB ALA 53 7.285 -0.094 -2.809 210 3HB ALA 53 3HB ALA 53 7.395 -0.735 -1.172 211 H SER 54 H SER 54 8.705 2.819 -2.958 212 HA SER 54 HA SER 54 7.169 4.074 -0.807 213 1HB SER 54 1HB SER 54 8.708 5.498 -2.987 214 2HB SER 54 2HB SER 54 8.062 6.180 -1.496 215 HG SER 54 HG SER 54 10.254 4.423 -1.826 216 H VAL 55 H VAL 55 6.003 6.094 -2.182 217 HA VAL 55 HA VAL 55 3.724 5.025 -3.204 218 HB VAL 55 HB VAL 55 5.124 7.592 -3.900 219 1HG1 VAL 55 1HG1 VAL 55 2.346 6.781 -4.723 220 1HG2 VAL 55 1HG2 VAL 55 4.084 7.062 -1.601 221 H GLU 56 H GLU 56 6.647 5.881 -4.927 222 HA GLU 56 HA GLU 56 5.956 5.437 -7.519 223 1HB GLU 56 1HB GLU 56 8.395 4.506 -7.658 224 2HB GLU 56 2HB GLU 56 8.102 6.190 -7.284 225 1HG GLU 56 1HG GLU 56 8.426 5.727 -4.917 226 2HG GLU 56 2HG GLU 56 8.671 4.020 -5.284 227 H GLU 57 H GLU 57 7.019 2.969 -5.189 228 HA GLU 57 HA GLU 57 6.589 0.858 -7.114 229 1HB GLU 57 1HB GLU 57 7.980 1.198 -4.597 230 2HB GLU 57 2HB GLU 57 7.012 -0.261 -4.625 231 1HG GLU 57 1HG GLU 57 9.134 0.524 -6.595 232 2HG GLU 57 2HG GLU 57 9.252 -0.710 -5.350 233 H ILE 58 H ILE 58 5.306 1.915 -4.015 234 HA ILE 58 HA ILE 58 3.399 -0.064 -3.617 235 HB ILE 58 HB ILE 58 3.520 2.816 -2.755 236 2HG1 ILE 58 2HG1 ILE 58 5.110 0.936 -1.901 237 1HG2 ILE 58 1HG2 ILE 58 1.167 1.931 -2.950 238 1HD1 ILE 58 1HD1 ILE 58 3.581 2.332 0.268 239 H ALA 59 H ALA 59 3.394 2.766 -5.618 240 HA ALA 59 HA ALA 59 0.586 2.758 -6.134 241 1HB ALA 59 1HB ALA 59 1.105 4.382 -7.881 242 2HB ALA 59 2HB ALA 59 2.826 4.052 -7.685 243 3HB ALA 59 3HB ALA 59 1.912 4.793 -6.368 244 H LYS 60 H LYS 60 1.971 0.190 -6.548 245 HA LYS 60 HA LYS 60 1.267 -0.207 -9.387 246 1HB LYS 60 1HB LYS 60 3.644 -1.143 -7.851 247 2HB LYS 60 2HB LYS 60 3.006 -2.169 -9.124 248 1HG LYS 60 1HG LYS 60 4.866 -0.717 -9.856 249 2HG LYS 60 2HG LYS 60 3.377 -0.473 -10.766 250 1HD LYS 60 1HD LYS 60 2.904 1.540 -9.563 251 2HD LYS 60 2HD LYS 60 4.238 1.251 -8.447 252 1HE LYS 60 1HE LYS 60 4.579 1.652 -11.412 253 2HE LYS 60 2HE LYS 60 4.690 2.953 -10.230 254 1HZ LYS 60 1HZ LYS 60 6.554 1.901 -9.221 255 2HZ LYS 60 2HZ LYS 60 6.852 1.985 -10.879 256 3HZ LYS 60 3HZ LYS 60 6.386 0.522 -10.183 257 H VAL 61 H VAL 61 -0.499 -0.405 -7.356 258 HA VAL 61 HA VAL 61 -1.078 -3.271 -7.331 259 HB VAL 61 HB VAL 61 -1.967 -2.362 -4.843 260 1HG1 VAL 61 1HG1 VAL 61 -1.039 -4.601 -5.487 261 1HG2 VAL 61 1HG2 VAL 61 -0.209 -0.496 -5.469 262 HA PRO 62 HA PRO 62 -5.427 -2.698 -7.891 263 1HB PRO 62 1HB PRO 62 -6.477 -2.837 -5.293 264 2HB PRO 62 2HB PRO 62 -6.241 -4.203 -6.391 265 1HG PRO 62 1HG PRO 62 -4.435 -3.167 -4.226 266 2HG PRO 62 2HG PRO 62 -4.833 -4.852 -4.642 267 1HD PRO 62 1HD PRO 62 -2.538 -3.900 -5.413 268 2HD PRO 62 2HD PRO 62 -3.511 -4.784 -6.604 269 H GLY 63 H GLY 63 -5.480 -0.551 -8.524 270 1HA GLY 63 1HA GLY 63 -6.151 1.636 -8.398 271 2HA GLY 63 2HA GLY 63 -6.916 1.212 -6.873 272 H ILE 64 H ILE 64 -4.261 0.300 -5.816 273 HA ILE 64 HA ILE 64 -3.582 2.502 -4.388 274 HB ILE 64 HB ILE 64 -1.761 0.213 -5.092 275 2HG1 ILE 64 2HG1 ILE 64 -3.849 -0.671 -4.256 276 1HG2 ILE 64 1HG2 ILE 64 -0.528 0.772 -3.158 277 1HD1 ILE 64 1HD1 ILE 64 -1.577 -0.723 -2.369 278 H SER 65 H SER 65 -3.000 4.304 -5.196 279 HA SER 65 HA SER 65 -0.538 4.527 -6.640 280 1HB SER 65 1HB SER 65 -3.074 5.795 -7.727 281 2HB SER 65 2HB SER 65 -1.471 5.810 -8.460 282 HG SER 65 HG SER 65 -2.129 3.278 -8.084 283 H GLN 66 H GLN 66 -0.149 7.009 -6.736 284 HA GLN 66 HA GLN 66 0.389 8.433 -4.815 285 1HB GLN 66 1HB GLN 66 -0.442 9.430 -6.940 286 2HB GLN 66 2HB GLN 66 -2.059 9.418 -6.253 287 1HG GLN 66 1HG GLN 66 -1.121 11.616 -6.032 288 2HG GLN 66 2HG GLN 66 -1.260 10.883 -4.434 289 1HE2 GLN 66 1HE2 GLN 66 0.325 12.086 -3.470 290 H GLY 67 H GLY 67 -3.164 8.021 -5.118 291 1HA GLY 67 1HA GLY 67 -3.745 9.056 -2.571 292 2HA GLY 67 2HA GLY 67 -4.802 8.003 -3.501 293 H LEU 68 H LEU 68 -3.933 5.615 -3.505 294 HA LEU 68 HA LEU 68 -3.845 4.800 -0.754 295 1HB LEU 68 1HB LEU 68 -4.780 3.623 -3.035 296 2HB LEU 68 2HB LEU 68 -3.267 2.772 -2.826 297 HG LEU 68 HG LEU 68 -4.787 1.408 -1.732 298 1HD1 LEU 68 1HD1 LEU 68 -2.932 1.746 -0.290 299 1HD2 LEU 68 1HD2 LEU 68 -6.018 3.870 -0.511 300 H ALA 69 H ALA 69 -1.707 4.859 -3.497 301 HA ALA 69 HA ALA 69 0.484 3.502 -2.581 302 1HB ALA 69 1HB ALA 69 0.314 4.483 -4.830 303 2HB ALA 69 2HB ALA 69 1.844 4.884 -4.048 304 3HB ALA 69 3HB ALA 69 0.554 6.085 -4.133 305 H GLU 70 H GLU 70 -0.145 6.985 -2.147 306 HA GLU 70 HA GLU 70 1.993 7.472 -0.393 307 1HB GLU 70 1HB GLU 70 -0.696 8.828 -0.633 308 2HB GLU 70 2HB GLU 70 0.604 9.417 0.393 309 1HG GLU 70 1HG GLU 70 1.883 9.211 -1.963 310 2HG GLU 70 2HG GLU 70 0.260 9.578 -2.507 311 H LYS 71 H LYS 71 -1.395 6.733 0.158 312 HA LYS 71 HA LYS 71 -1.566 6.833 2.882 313 1HB LYS 71 1HB LYS 71 -2.864 5.079 0.819 314 2HB LYS 71 2HB LYS 71 -3.281 4.941 2.509 315 1HG LYS 71 1HG LYS 71 -4.467 6.605 0.701 316 2HG LYS 71 2HG LYS 71 -4.568 6.766 2.453 317 1HD LYS 71 1HD LYS 71 -2.912 8.419 2.505 318 2HD LYS 71 2HD LYS 71 -2.317 8.003 0.903 319 1HE LYS 71 1HE LYS 71 -3.473 9.945 0.475 320 2HE LYS 71 2HE LYS 71 -4.685 8.713 0.117 321 1HZ LYS 71 1HZ LYS 71 -4.507 10.511 2.446 322 2HZ LYS 71 2HZ LYS 71 -5.345 9.052 2.567 323 3HZ LYS 71 3HZ LYS 71 -5.827 10.210 1.439 324 H ILE 72 H ILE 72 -0.397 4.191 0.851 325 HA ILE 72 HA ILE 72 0.185 2.479 3.090 326 HB ILE 72 HB ILE 72 1.211 2.294 0.259 327 2HG1 ILE 72 2HG1 ILE 72 -1.210 2.310 0.263 328 1HG2 ILE 72 1HG2 ILE 72 2.062 0.263 0.739 329 1HD1 ILE 72 1HD1 ILE 72 -1.752 0.124 -0.627 330 H PHE 73 H PHE 73 1.986 4.542 0.889 331 HA PHE 73 HA PHE 73 4.574 4.062 1.574 332 1HB PHE 73 1HB PHE 73 4.250 5.669 -0.097 333 2HB PHE 73 2HB PHE 73 3.110 6.591 0.872 334 HD1 PHE 73 HD1 PHE 73 3.994 7.915 2.832 335 HD2 PHE 73 HD2 PHE 73 6.520 6.219 -0.146 336 HE1 PHE 73 HE1 PHE 73 5.809 9.435 3.506 337 HE2 PHE 73 HE2 PHE 73 8.334 7.734 0.520 338 HZ PHE 73 HZ PHE 73 7.947 9.397 2.316 339 H TRP 74 H TRP 74 2.363 6.301 3.225 340 HA TRP 74 HA TRP 74 4.100 7.083 5.258 341 1HB TRP 74 1HB TRP 74 1.101 6.756 5.447 342 2HB TRP 74 2HB TRP 74 2.102 7.751 6.499 343 HD1 TRP 74 HD1 TRP 74 0.053 7.945 3.432 344 HE1 TRP 74 HE1 TRP 74 0.414 10.204 2.242 345 HE3 TRP 74 HE3 TRP 74 4.194 9.545 5.958 346 HZ2 TRP 74 HZ2 TRP 74 2.212 12.367 2.370 347 HZ3 TRP 74 HZ3 TRP 74 5.183 11.716 5.359 348 HH2 TRP 74 HH2 TRP 74 4.210 13.098 3.596 349 H SER 75 H SER 75 2.153 4.212 4.862 350 HA SER 75 HA SER 75 2.115 3.287 7.483 351 1HB SER 75 1HB SER 75 2.337 1.562 5.010 352 2HB SER 75 2HB SER 75 1.621 1.116 6.560 353 HG SER 75 HG SER 75 0.411 3.324 5.766 354 H LEU 76 H LEU 76 4.730 3.501 5.263 355 HA LEU 76 HA LEU 76 6.413 1.976 7.153 356 1HB LEU 76 1HB LEU 76 7.522 2.204 4.476 357 2HB LEU 76 2HB LEU 76 7.414 0.816 5.512 358 HG LEU 76 HG LEU 76 6.300 0.304 3.494 359 1HD1 LEU 76 1HD1 LEU 76 4.536 0.776 5.836 360 1HD2 LEU 76 1HD2 LEU 76 5.936 2.805 2.996 361 H LYS 77 H LYS 77 6.793 4.040 4.380 362 HA LYS 77 HA LYS 77 9.175 5.266 5.111 363 1HB LYS 77 1HB LYS 77 6.975 5.914 3.217 364 2HB LYS 77 2HB LYS 77 8.184 7.150 3.543 365 1HG LYS 77 1HG LYS 77 8.828 5.939 1.587 366 2HG LYS 77 2HG LYS 77 9.941 5.521 2.890 367 1HD LYS 77 1HD LYS 77 8.901 3.426 3.228 368 2HD LYS 77 2HD LYS 77 7.527 3.857 2.208 369 1HE LYS 77 1HE LYS 77 9.154 2.325 1.117 370 2HE LYS 77 2HE LYS 77 8.898 3.834 0.246 371 1HZ LYS 77 1HZ LYS 77 11.216 3.351 0.298 372 2HZ LYS 77 2HZ LYS 77 11.204 3.152 1.977 373 3HZ LYS 77 3HZ LYS 77 10.945 4.682 1.302 374 H HIS 78 H HIS 78 6.567 5.482 6.986 375 HA HIS 78 HA HIS 78 7.484 7.714 8.405 376 1HB HIS 78 1HB HIS 78 6.438 8.821 6.341 377 2HB HIS 78 2HB HIS 78 4.885 8.291 6.982 378 HD1 HIS 78 HD1 HIS 78 7.855 10.396 8.044 379 HD2 HIS 78 HD2 HIS 78 3.782 10.021 8.771 380 HE1 HIS 78 HE1 HIS 78 7.250 12.334 9.520 381 HE2 HIS 78 HE2 HIS 78 4.835 11.962 10.110 Start of MODEL 18 1 H THR 23 H THR 23 -18.399 0.552 -1.435 2 HA THR 23 HA THR 23 -17.858 3.422 -1.838 3 HB THR 23 HB THR 23 -19.138 2.332 0.661 4 HG1 THR 23 HG1 THR 23 -20.329 1.993 -1.488 5 1HG2 THR 23 1HG2 THR 23 -18.277 4.522 0.953 6 H SER 24 H SER 24 -16.003 1.234 -1.761 7 HA SER 24 HA SER 24 -14.821 0.759 0.699 8 1HB SER 24 1HB SER 24 -13.097 1.103 -1.710 9 2HB SER 24 2HB SER 24 -13.097 -0.178 -0.497 10 HG SER 24 HG SER 24 -14.514 0.044 -2.844 11 H SER 25 H SER 25 -12.522 1.520 1.211 12 HA SER 25 HA SER 25 -11.876 4.244 0.570 13 1HB SER 25 1HB SER 25 -12.581 3.579 3.435 14 2HB SER 25 2HB SER 25 -12.136 5.155 2.786 15 HG SER 25 HG SER 25 -14.127 4.608 1.348 16 H LEU 26 H LEU 26 -10.614 1.803 0.220 17 HA LEU 26 HA LEU 26 -8.936 0.757 2.065 18 1HB LEU 26 1HB LEU 26 -8.569 1.307 -0.854 19 2HB LEU 26 2HB LEU 26 -7.260 0.602 0.069 20 HG LEU 26 HG LEU 26 -8.685 -1.025 -1.206 21 1HD1 LEU 26 1HD1 LEU 26 -8.275 -1.235 1.747 22 1HD2 LEU 26 1HD2 LEU 26 -10.821 -1.692 -0.141 23 H GLU 27 H GLU 27 -8.734 3.918 0.697 24 HA GLU 27 HA GLU 27 -6.040 4.327 1.738 25 1HB GLU 27 1HB GLU 27 -6.030 6.377 0.502 26 2HB GLU 27 2HB GLU 27 -6.706 5.139 -0.543 27 1HG GLU 27 1HG GLU 27 -8.731 6.116 -0.618 28 2HG GLU 27 2HG GLU 27 -8.641 6.680 1.048 29 H THR 28 H THR 28 -9.319 5.008 2.522 30 HA THR 28 HA THR 28 -8.603 7.165 4.338 31 HB THR 28 HB THR 28 -11.380 6.122 4.180 32 HG1 THR 28 HG1 THR 28 -9.964 7.456 2.108 33 1HG2 THR 28 1HG2 THR 28 -10.171 8.895 4.211 34 H ILE 29 H ILE 29 -9.176 3.828 4.382 35 HA ILE 29 HA ILE 29 -10.242 3.423 6.919 36 HB ILE 29 HB ILE 29 -8.099 1.564 6.173 37 2HG1 ILE 29 2HG1 ILE 29 -9.390 0.486 4.415 38 1HG2 ILE 29 1HG2 ILE 29 -10.357 0.117 6.493 39 1HD1 ILE 29 1HD1 ILE 29 -11.288 1.602 3.417 40 H GLU 30 H GLU 30 -8.714 2.134 8.558 41 HA GLU 30 HA GLU 30 -6.840 4.130 9.515 42 1HB GLU 30 1HB GLU 30 -7.365 1.985 11.344 43 2HB GLU 30 2HB GLU 30 -7.793 3.687 11.491 44 1HG GLU 30 1HG GLU 30 -9.873 2.711 11.552 45 2HG GLU 30 2HG GLU 30 -9.697 3.045 9.823 46 H GLY 31 H GLY 31 -5.072 3.529 8.149 47 1HA GLY 31 1HA GLY 31 -3.196 2.322 7.573 48 2HA GLY 31 2HA GLY 31 -3.279 1.667 9.207 49 H VAL 32 H VAL 32 -6.118 1.083 7.724 50 HA VAL 32 HA VAL 32 -7.111 -0.924 7.317 51 HB VAL 32 HB VAL 32 -5.349 -1.450 5.095 52 1HG1 VAL 32 1HG1 VAL 32 -8.209 -0.570 5.388 53 1HG2 VAL 32 1HG2 VAL 32 -6.301 1.358 5.515 54 H GLY 33 H GLY 33 -5.790 -2.969 5.739 55 1HA GLY 33 1HA GLY 33 -3.690 -4.332 6.466 56 2HA GLY 33 2HA GLY 33 -4.610 -4.443 7.962 57 HA PRO 34 HA PRO 34 -7.712 -7.386 6.711 58 1HB PRO 34 1HB PRO 34 -9.414 -5.910 4.924 59 2HB PRO 34 2HB PRO 34 -9.736 -6.376 6.593 60 1HG PRO 34 1HG PRO 34 -8.694 -3.822 5.521 61 2HG PRO 34 2HG PRO 34 -9.663 -4.123 6.977 62 1HD PRO 34 1HD PRO 34 -7.094 -3.519 7.183 63 2HD PRO 34 2HD PRO 34 -7.791 -4.777 8.223 64 H LYS 35 H LYS 35 -6.785 -5.193 4.089 65 HA LYS 35 HA LYS 35 -5.732 -7.370 2.558 66 1HB LYS 35 1HB LYS 35 -7.152 -6.844 0.537 67 2HB LYS 35 2HB LYS 35 -7.958 -7.710 1.831 68 1HG LYS 35 1HG LYS 35 -8.914 -5.557 2.608 69 2HG LYS 35 2HG LYS 35 -8.198 -4.784 1.190 70 1HD LYS 35 1HD LYS 35 -9.499 -6.197 -0.281 71 2HD LYS 35 2HD LYS 35 -10.146 -7.084 1.099 72 1HE LYS 35 1HE LYS 35 -11.153 -4.958 1.908 73 2HE LYS 35 2HE LYS 35 -10.623 -4.188 0.410 74 1HZ LYS 35 1HZ LYS 35 -12.651 -6.303 0.778 75 2HZ LYS 35 2HZ LYS 35 -11.918 -6.045 -0.720 76 3HZ LYS 35 3HZ LYS 35 -12.803 -4.812 0.002 77 H ARG 36 H ARG 36 -6.688 -3.967 2.642 78 HA ARG 36 HA ARG 36 -5.372 -2.879 0.562 79 1HB ARG 36 1HB ARG 36 -6.708 -1.754 2.413 80 2HB ARG 36 2HB ARG 36 -5.225 -1.759 3.345 81 1HG ARG 36 1HG ARG 36 -4.992 -0.692 0.645 82 2HG ARG 36 2HG ARG 36 -6.009 0.245 1.741 83 1HD ARG 36 1HD ARG 36 -3.698 -0.508 3.176 84 2HD ARG 36 2HD ARG 36 -3.156 0.079 1.609 85 HE ARG 36 HE ARG 36 -5.043 1.888 2.592 86 1HH1 ARG 36 1HH1 ARG 36 -1.790 0.794 3.322 87 1HH2 ARG 36 1HH2 ARG 36 -4.446 3.817 3.695 88 H ARG 37 H ARG 37 -3.957 -3.314 3.780 89 HA ARG 37 HA ARG 37 -1.337 -2.633 2.999 90 1HB ARG 37 1HB ARG 37 -2.228 -4.314 5.340 91 2HB ARG 37 2HB ARG 37 -0.681 -3.503 5.181 92 1HG ARG 37 1HG ARG 37 -3.247 -1.975 5.088 93 2HG ARG 37 2HG ARG 37 -2.486 -2.396 6.621 94 1HD ARG 37 1HD ARG 37 -1.228 -0.864 4.365 95 2HD ARG 37 2HD ARG 37 -1.811 -0.169 5.878 96 HE ARG 37 HE ARG 37 0.648 -1.622 5.443 97 1HH1 ARG 37 1HH1 ARG 37 -1.691 -0.527 7.794 98 1HH2 ARG 37 1HH2 ARG 37 2.094 -1.811 7.231 99 H GLN 38 H GLN 38 -3.154 -5.588 3.055 100 HA GLN 38 HA GLN 38 -0.966 -7.342 2.658 101 1HB GLN 38 1HB GLN 38 -3.907 -7.678 2.081 102 2HB GLN 38 2HB GLN 38 -2.715 -8.963 1.935 103 1HG GLN 38 1HG GLN 38 -2.249 -8.904 4.254 104 2HG GLN 38 2HG GLN 38 -3.197 -7.438 4.459 105 1HE2 GLN 38 1HE2 GLN 38 -4.537 -8.364 6.007 106 H MET 39 H MET 39 -2.790 -5.269 0.578 107 HA MET 39 HA MET 39 -2.500 -6.588 -1.844 108 1HB MET 39 1HB MET 39 -2.336 -3.610 -1.299 109 2HB MET 39 2HB MET 39 -2.541 -4.323 -2.894 110 1HG MET 39 1HG MET 39 -4.672 -5.224 -2.278 111 2HG MET 39 2HG MET 39 -4.453 -4.704 -0.610 112 1HE MET 39 1HE MET 39 -7.354 -2.431 -2.004 113 2HE MET 39 2HE MET 39 -6.938 -3.775 -0.939 114 3HE MET 39 3HE MET 39 -7.004 -4.020 -2.684 115 H LEU 40 H LEU 40 -0.287 -4.335 -0.258 116 HA LEU 40 HA LEU 40 1.748 -4.462 -2.192 117 1HB LEU 40 1HB LEU 40 1.948 -3.926 0.766 118 2HB LEU 40 2HB LEU 40 3.198 -3.574 -0.416 119 HG LEU 40 HG LEU 40 2.071 -1.546 0.065 120 1HD1 LEU 40 1HD1 LEU 40 2.667 -1.800 -2.244 121 1HD2 LEU 40 1HD2 LEU 40 -0.171 -1.255 0.329 122 H LEU 41 H LEU 41 1.591 -6.015 1.006 123 HA LEU 41 HA LEU 41 3.824 -7.635 0.690 124 1HB LEU 41 1HB LEU 41 1.395 -7.744 2.405 125 2HB LEU 41 2HB LEU 41 2.425 -9.163 2.336 126 HG LEU 41 HG LEU 41 2.811 -7.296 4.159 127 1HD1 LEU 41 1HD1 LEU 41 5.092 -8.012 4.339 128 1HD2 LEU 41 1HD2 LEU 41 4.246 -5.558 3.546 129 H LYS 42 H LYS 42 0.526 -8.120 -0.359 130 HA LYS 42 HA LYS 42 0.991 -10.838 -1.161 131 1HB LYS 42 1HB LYS 42 -1.276 -8.899 -1.510 132 2HB LYS 42 2HB LYS 42 -1.251 -10.421 -2.391 133 1HG LYS 42 1HG LYS 42 -2.489 -10.303 -0.134 134 2HG LYS 42 2HG LYS 42 -1.463 -11.694 -0.481 135 1HD LYS 42 1HD LYS 42 0.372 -10.606 0.783 136 2HD LYS 42 2HD LYS 42 -0.733 -9.300 1.205 137 1HE LYS 42 1HE LYS 42 -0.659 -10.825 3.039 138 2HE LYS 42 2HE LYS 42 -2.226 -11.000 2.254 139 1HZ LYS 42 1HZ LYS 42 0.114 -12.786 1.895 140 2HZ LYS 42 2HZ LYS 42 -1.361 -12.951 1.092 141 3HZ LYS 42 3HZ LYS 42 -1.287 -13.148 2.766 142 H TYR 43 H TYR 43 1.400 -7.720 -2.505 143 HA TYR 43 HA TYR 43 1.496 -8.666 -5.230 144 1HB TYR 43 1HB TYR 43 1.221 -6.138 -3.977 145 2HB TYR 43 2HB TYR 43 2.676 -6.069 -4.961 146 HD1 TYR 43 HD1 TYR 43 2.446 -5.468 -7.178 147 HD2 TYR 43 HD2 TYR 43 -0.857 -7.266 -5.198 148 HE1 TYR 43 HE1 TYR 43 1.072 -5.146 -9.192 149 HE2 TYR 43 HE2 TYR 43 -2.242 -6.944 -7.205 150 HH TYR 43 HH TYR 43 -2.372 -5.856 -9.197 151 H MET 44 H MET 44 3.765 -7.894 -2.673 152 HA MET 44 HA MET 44 5.946 -8.665 -4.489 153 1HB MET 44 1HB MET 44 7.447 -7.435 -3.030 154 2HB MET 44 2HB MET 44 6.125 -6.404 -3.560 155 1HG MET 44 1HG MET 44 5.031 -6.622 -1.435 156 2HG MET 44 2HG MET 44 6.228 -7.797 -0.892 157 1HE MET 44 1HE MET 44 5.774 -3.967 -2.024 158 2HE MET 44 2HE MET 44 6.939 -4.749 -3.092 159 3HE MET 44 3HE MET 44 7.472 -3.500 -1.965 160 H GLY 45 H GLY 45 4.532 -9.232 -1.319 161 1HA GLY 45 1HA GLY 45 4.591 -11.204 -0.089 162 2HA GLY 45 2HA GLY 45 5.757 -11.851 -1.232 163 H GLY 46 H GLY 46 6.097 -8.766 0.425 164 1HA GLY 46 1HA GLY 46 7.759 -9.752 2.506 165 2HA GLY 46 2HA GLY 46 8.729 -9.189 1.154 166 H LEU 47 H LEU 47 6.965 -8.307 3.913 167 HA LEU 47 HA LEU 47 6.091 -5.774 3.534 168 1HB LEU 47 1HB LEU 47 5.893 -6.797 5.663 169 2HB LEU 47 2HB LEU 47 7.627 -6.883 5.856 170 HG LEU 47 HG LEU 47 7.803 -4.521 6.153 171 1HD1 LEU 47 1HD1 LEU 47 4.864 -4.406 5.495 172 1HD2 LEU 47 1HD2 LEU 47 7.150 -5.790 8.133 173 H GLN 48 H GLN 48 9.396 -6.543 4.560 174 HA GLN 48 HA GLN 48 10.537 -4.102 4.585 175 1HB GLN 48 1HB GLN 48 11.870 -6.062 5.018 176 2HB GLN 48 2HB GLN 48 11.673 -6.613 3.359 177 1HG GLN 48 1HG GLN 48 13.891 -5.588 3.930 178 2HG GLN 48 2HG GLN 48 13.071 -4.937 2.515 179 1HE2 GLN 48 1HE2 GLN 48 14.171 -2.997 2.603 180 H GLY 49 H GLY 49 10.444 -6.121 1.675 181 1HA GLY 49 1HA GLY 49 11.449 -4.365 -0.182 182 2HA GLY 49 2HA GLY 49 10.195 -5.542 -0.552 183 H LEU 50 H LEU 50 8.266 -4.456 1.213 184 HA LEU 50 HA LEU 50 7.214 -2.386 -0.490 185 1HB LEU 50 1HB LEU 50 5.508 -3.721 0.226 186 2HB LEU 50 2HB LEU 50 6.254 -4.040 1.773 187 HG LEU 50 HG LEU 50 5.649 -1.695 2.449 188 1HD1 LEU 50 1HD1 LEU 50 5.317 -0.614 0.372 189 1HD2 LEU 50 1HD2 LEU 50 4.361 -3.533 3.269 190 H ARG 51 H ARG 51 8.428 -2.709 2.762 191 HA ARG 51 HA ARG 51 7.710 -0.259 3.757 192 1HB ARG 51 1HB ARG 51 8.414 -1.225 5.570 193 2HB ARG 51 2HB ARG 51 9.114 -2.512 4.592 194 1HG ARG 51 1HG ARG 51 11.112 -1.301 4.346 195 2HG ARG 51 2HG ARG 51 10.445 0.076 5.204 196 1HD ARG 51 1HD ARG 51 10.127 -1.294 7.182 197 2HD ARG 51 2HD ARG 51 10.836 -2.674 6.349 198 HE ARG 51 HE ARG 51 12.853 -1.017 6.169 199 1HH1 ARG 51 1HH1 ARG 51 10.744 -1.565 8.891 200 1HH2 ARG 51 1HH2 ARG 51 14.421 -0.391 7.711 201 H ASN 52 H ASN 52 10.573 -1.268 2.010 202 HA ASN 52 HA ASN 52 11.736 1.386 2.235 203 1HB ASN 52 1HB ASN 52 13.440 0.462 0.595 204 2HB ASN 52 2HB ASN 52 13.386 -0.336 2.166 205 1HD2 ASN 52 1HD2 ASN 52 12.319 -2.354 2.313 206 H ALA 53 H ALA 53 9.391 -0.086 0.510 207 HA ALA 53 HA ALA 53 9.842 1.187 -2.035 208 1HB ALA 53 1HB ALA 53 7.124 0.369 -1.686 209 2HB ALA 53 2HB ALA 53 8.194 -0.895 -1.074 210 3HB ALA 53 3HB ALA 53 8.363 -0.324 -2.733 211 H SER 54 H SER 54 9.022 3.090 -2.701 212 HA SER 54 HA SER 54 7.583 4.644 -0.691 213 1HB SER 54 1HB SER 54 8.862 5.718 -3.206 214 2HB SER 54 2HB SER 54 8.466 6.587 -1.725 215 HG SER 54 HG SER 54 10.099 4.569 -1.109 216 H VAL 55 H VAL 55 6.201 6.391 -1.994 217 HA VAL 55 HA VAL 55 3.880 5.221 -2.788 218 HB VAL 55 HB VAL 55 5.164 7.834 -3.216 219 1HG1 VAL 55 1HG1 VAL 55 2.940 6.856 -4.993 220 1HG2 VAL 55 1HG2 VAL 55 3.629 7.230 -1.336 221 H GLU 56 H GLU 56 6.721 5.946 -4.643 222 HA GLU 56 HA GLU 56 5.803 5.573 -7.218 223 1HB GLU 56 1HB GLU 56 8.211 4.869 -7.638 224 2HB GLU 56 2HB GLU 56 7.958 6.459 -6.951 225 1HG GLU 56 1HG GLU 56 8.268 5.169 -4.690 226 2HG GLU 56 2HG GLU 56 9.103 4.012 -5.724 227 H GLU 57 H GLU 57 7.238 3.197 -5.014 228 HA GLU 57 HA GLU 57 6.832 1.015 -6.808 229 1HB GLU 57 1HB GLU 57 8.061 1.525 -4.223 230 2HB GLU 57 2HB GLU 57 7.181 0.010 -4.260 231 1HG GLU 57 1HG GLU 57 9.658 0.017 -4.881 232 2HG GLU 57 2HG GLU 57 8.540 -0.887 -5.896 233 H ILE 58 H ILE 58 5.474 2.054 -3.729 234 HA ILE 58 HA ILE 58 3.576 0.091 -3.392 235 HB ILE 58 HB ILE 58 3.486 3.004 -2.628 236 2HG1 ILE 58 2HG1 ILE 58 5.286 1.339 -1.716 237 1HG2 ILE 58 1HG2 ILE 58 1.259 1.891 -2.763 238 1HD1 ILE 58 1HD1 ILE 58 5.119 2.244 0.580 239 H ALA 59 H ALA 59 3.619 2.846 -5.493 240 HA ALA 59 HA ALA 59 0.813 2.734 -6.102 241 1HB ALA 59 1HB ALA 59 1.859 4.857 -6.237 242 2HB ALA 59 2HB ALA 59 1.439 4.381 -7.882 243 3HB ALA 59 3HB ALA 59 3.105 4.246 -7.325 244 H LYS 60 H LYS 60 2.283 0.251 -6.500 245 HA LYS 60 HA LYS 60 1.738 -0.121 -9.373 246 1HB LYS 60 1HB LYS 60 4.138 -0.898 -7.794 247 2HB LYS 60 2HB LYS 60 3.591 -1.988 -9.056 248 1HG LYS 60 1HG LYS 60 5.228 -0.623 -10.042 249 2HG LYS 60 2HG LYS 60 3.677 -0.026 -10.628 250 1HD LYS 60 1HD LYS 60 3.736 1.775 -8.991 251 2HD LYS 60 2HD LYS 60 5.264 1.162 -8.357 252 1HE LYS 60 1HE LYS 60 6.352 1.600 -10.477 253 2HE LYS 60 2HE LYS 60 4.821 2.106 -11.189 254 1HZ LYS 60 1HZ LYS 60 4.860 3.804 -9.243 255 2HZ LYS 60 2HZ LYS 60 5.751 4.105 -10.644 256 3HZ LYS 60 3HZ LYS 60 6.522 3.516 -9.264 257 H VAL 61 H VAL 61 -0.011 -0.472 -7.279 258 HA VAL 61 HA VAL 61 -0.391 -3.403 -7.244 259 HB VAL 61 HB VAL 61 -1.545 -2.308 -4.897 260 1HG1 VAL 61 1HG1 VAL 61 0.129 -3.752 -3.761 261 1HG2 VAL 61 1HG2 VAL 61 0.197 -1.177 -3.793 262 HA PRO 62 HA PRO 62 -4.807 -3.013 -8.006 263 1HB PRO 62 1HB PRO 62 -5.897 -2.696 -5.362 264 2HB PRO 62 2HB PRO 62 -5.880 -4.151 -6.351 265 1HG PRO 62 1HG PRO 62 -4.089 -3.325 -4.163 266 2HG PRO 62 2HG PRO 62 -4.479 -4.953 -4.742 267 1HD PRO 62 1HD PRO 62 -2.116 -3.820 -5.183 268 2HD PRO 62 2HD PRO 62 -2.848 -4.888 -6.378 269 H GLY 63 H GLY 63 -6.764 -1.423 -6.432 270 1HA GLY 63 1HA GLY 63 -6.848 0.987 -7.500 271 2HA GLY 63 2HA GLY 63 -7.191 0.799 -5.784 272 H ILE 64 H ILE 64 -4.436 -0.006 -5.215 273 HA ILE 64 HA ILE 64 -3.324 2.430 -4.507 274 HB ILE 64 HB ILE 64 -1.574 0.079 -5.084 275 2HG1 ILE 64 2HG1 ILE 64 -3.529 -0.960 -4.117 276 1HG2 ILE 64 1HG2 ILE 64 -0.390 0.802 -3.153 277 1HD1 ILE 64 1HD1 ILE 64 -2.526 -1.260 -1.617 278 H SER 65 H SER 65 -3.551 3.658 -6.444 279 HA SER 65 HA SER 65 -1.624 3.087 -8.570 280 1HB SER 65 1HB SER 65 -4.244 4.350 -8.402 281 2HB SER 65 2HB SER 65 -3.085 5.310 -9.318 282 HG SER 65 HG SER 65 -3.127 2.585 -9.858 283 H GLN 66 H GLN 66 -2.528 5.391 -6.133 284 HA GLN 66 HA GLN 66 0.078 6.502 -6.002 285 1HB GLN 66 1HB GLN 66 -1.806 7.754 -7.792 286 2HB GLN 66 2HB GLN 66 -1.407 8.846 -6.477 287 1HG GLN 66 1HG GLN 66 0.582 7.483 -8.270 288 2HG GLN 66 2HG GLN 66 0.034 9.149 -8.430 289 1HE2 GLN 66 1HE2 GLN 66 -0.051 9.445 -5.484 290 H GLY 67 H GLY 67 -3.331 7.404 -5.453 291 1HA GLY 67 1HA GLY 67 -2.904 8.760 -3.045 292 2HA GLY 67 2HA GLY 67 -4.412 7.972 -3.494 293 H LEU 68 H LEU 68 -4.206 5.472 -3.363 294 HA LEU 68 HA LEU 68 -3.942 4.688 -0.734 295 1HB LEU 68 1HB LEU 68 -4.841 3.478 -2.943 296 2HB LEU 68 2HB LEU 68 -3.257 2.741 -2.877 297 HG LEU 68 HG LEU 68 -4.752 1.240 -1.819 298 1HD1 LEU 68 1HD1 LEU 68 -3.639 2.509 0.594 299 1HD2 LEU 68 1HD2 LEU 68 -6.615 2.693 -1.366 300 H ALA 69 H ALA 69 -1.667 4.574 -3.386 301 HA ALA 69 HA ALA 69 0.427 3.297 -2.202 302 1HB ALA 69 1HB ALA 69 1.879 4.327 -3.758 303 2HB ALA 69 2HB ALA 69 0.844 5.746 -3.892 304 3HB ALA 69 3HB ALA 69 0.316 4.203 -4.567 305 H GLU 70 H GLU 70 -0.134 6.818 -2.115 306 HA GLU 70 HA GLU 70 1.922 7.425 -0.316 307 1HB GLU 70 1HB GLU 70 -0.683 8.895 -0.192 308 2HB GLU 70 2HB GLU 70 0.949 9.538 -0.086 309 1HG GLU 70 1HG GLU 70 1.214 9.048 -2.502 310 2HG GLU 70 2HG GLU 70 -0.466 8.542 -2.516 311 H LYS 71 H LYS 71 -1.458 6.648 0.175 312 HA LYS 71 HA LYS 71 -1.695 6.884 2.888 313 1HB LYS 71 1HB LYS 71 -2.896 4.791 1.084 314 2HB LYS 71 2HB LYS 71 -3.490 5.223 2.669 315 1HG LYS 71 1HG LYS 71 -4.016 6.444 0.122 316 2HG LYS 71 2HG LYS 71 -4.842 6.657 1.663 317 1HD LYS 71 1HD LYS 71 -3.442 8.435 2.290 318 2HD LYS 71 2HD LYS 71 -2.232 8.036 1.074 319 1HE LYS 71 1HE LYS 71 -3.400 9.974 0.327 320 2HE LYS 71 2HE LYS 71 -3.900 8.618 -0.680 321 1HZ LYS 71 1HZ LYS 71 -5.420 9.921 1.497 322 2HZ LYS 71 2HZ LYS 71 -5.853 8.422 0.861 323 3HZ LYS 71 3HZ LYS 71 -5.846 9.783 -0.134 324 H ILE 72 H ILE 72 -0.523 4.178 0.995 325 HA ILE 72 HA ILE 72 -0.005 2.435 3.187 326 HB ILE 72 HB ILE 72 1.159 2.487 0.401 327 2HG1 ILE 72 2HG1 ILE 72 -1.345 2.269 0.721 328 1HG2 ILE 72 1HG2 ILE 72 2.579 0.955 1.193 329 1HD1 ILE 72 1HD1 ILE 72 -0.492 1.595 -1.363 330 H PHE 73 H PHE 73 1.890 4.664 1.248 331 HA PHE 73 HA PHE 73 4.415 4.132 2.283 332 1HB PHE 73 1HB PHE 73 4.187 5.627 0.404 333 2HB PHE 73 2HB PHE 73 3.247 6.765 1.366 334 HD1 PHE 73 HD1 PHE 73 4.292 8.278 2.860 335 HD2 PHE 73 HD2 PHE 73 6.600 5.367 0.801 336 HE1 PHE 73 HE1 PHE 73 6.349 9.434 3.551 337 HE2 PHE 73 HE2 PHE 73 8.667 6.518 1.476 338 HZ PHE 73 HZ PHE 73 8.541 8.554 2.862 339 H TRP 74 H TRP 74 1.811 6.159 3.498 340 HA TRP 74 HA TRP 74 3.246 7.216 5.706 341 1HB TRP 74 1HB TRP 74 0.250 6.849 5.512 342 2HB TRP 74 2HB TRP 74 1.112 7.980 6.542 343 HD1 TRP 74 HD1 TRP 74 -1.063 8.339 3.911 344 HE1 TRP 74 HE1 TRP 74 -0.497 10.241 2.280 345 HE3 TRP 74 HE3 TRP 74 3.836 9.063 5.188 346 HZ2 TRP 74 HZ2 TRP 74 1.724 11.852 1.641 347 HZ3 TRP 74 HZ3 TRP 74 5.103 10.817 4.025 348 HH2 TRP 74 HH2 TRP 74 4.065 12.179 2.288 349 H SER 75 H SER 75 1.046 4.478 5.306 350 HA SER 75 HA SER 75 0.932 3.746 8.017 351 1HB SER 75 1HB SER 75 0.718 1.530 6.111 352 2HB SER 75 2HB SER 75 -0.451 2.124 7.286 353 HG SER 75 HG SER 75 -0.701 3.949 5.710 354 H LEU 76 H LEU 76 3.162 2.831 5.442 355 HA LEU 76 HA LEU 76 4.419 0.642 6.467 356 1HB LEU 76 1HB LEU 76 5.103 2.882 4.742 357 2HB LEU 76 2HB LEU 76 6.475 2.093 5.472 358 HG LEU 76 HG LEU 76 5.714 -0.046 4.515 359 1HD1 LEU 76 1HD1 LEU 76 3.305 0.713 4.271 360 1HD2 LEU 76 1HD2 LEU 76 6.105 2.220 2.604 361 H LYS 77 H LYS 77 6.336 3.460 6.376 362 HA LYS 77 HA LYS 77 7.123 3.209 9.181 363 1HB LYS 77 1HB LYS 77 8.694 2.742 6.695 364 2HB LYS 77 2HB LYS 77 9.516 3.607 8.008 365 1HG LYS 77 1HG LYS 77 10.065 1.405 8.430 366 2HG LYS 77 2HG LYS 77 8.667 1.650 9.480 367 1HD LYS 77 1HD LYS 77 7.337 0.800 7.393 368 2HD LYS 77 2HD LYS 77 8.890 0.100 6.944 369 1HE LYS 77 1HE LYS 77 7.610 -1.531 8.170 370 2HE LYS 77 2HE LYS 77 8.990 -1.021 9.137 371 1HZ LYS 77 1HZ LYS 77 7.623 0.248 10.527 372 2HZ LYS 77 2HZ LYS 77 6.774 -1.192 10.304 373 3HZ LYS 77 3HZ LYS 77 6.313 0.193 9.462 374 H HIS 78 H HIS 78 5.482 5.164 8.351 375 HA HIS 78 HA HIS 78 7.211 7.513 8.018 376 1HB HIS 78 1HB HIS 78 5.872 7.792 6.209 377 2HB HIS 78 2HB HIS 78 4.583 6.796 6.881 378 HD1 HIS 78 HD1 HIS 78 5.949 10.316 7.037 379 HD2 HIS 78 HD2 HIS 78 2.541 8.177 8.078 380 HE1 HIS 78 HE1 HIS 78 4.251 12.039 7.706 381 HE2 HIS 78 HE2 HIS 78 2.262 10.713 8.504 Start of MODEL 19 1 H THR 23 H THR 23 -0.048 4.840 16.508 2 HA THR 23 HA THR 23 -2.905 4.298 17.028 3 HB THR 23 HB THR 23 -1.923 7.097 16.966 4 HG1 THR 23 HG1 THR 23 -0.978 5.150 18.711 5 1HG2 THR 23 1HG2 THR 23 -3.813 5.549 18.747 6 H SER 24 H SER 24 -0.566 5.585 14.793 7 HA SER 24 HA SER 24 -2.192 6.997 13.047 8 1HB SER 24 1HB SER 24 -0.088 5.295 11.832 9 2HB SER 24 2HB SER 24 -0.359 7.033 11.679 10 HG SER 24 HG SER 24 0.577 7.323 13.701 11 H SER 25 H SER 25 -1.884 3.589 13.594 12 HA SER 25 HA SER 25 -2.881 1.761 12.657 13 1HB SER 25 1HB SER 25 -5.143 3.591 11.890 14 2HB SER 25 2HB SER 25 -5.223 1.927 12.460 15 HG SER 25 HG SER 25 -4.176 3.958 14.108 16 H LEU 26 H LEU 26 -1.119 3.199 10.992 17 HA LEU 26 HA LEU 26 -1.988 3.854 8.468 18 1HB LEU 26 1HB LEU 26 0.581 2.580 9.347 19 2HB LEU 26 2HB LEU 26 0.307 3.171 7.720 20 HG LEU 26 HG LEU 26 -0.137 5.044 10.001 21 1HD1 LEU 26 1HD1 LEU 26 2.540 4.217 8.915 22 1HD2 LEU 26 1HD2 LEU 26 1.001 5.423 7.234 23 H GLU 27 H GLU 27 -0.664 0.678 9.376 24 HA GLU 27 HA GLU 27 -1.160 -0.591 6.979 25 1HB GLU 27 1HB GLU 27 -0.051 -2.119 8.188 26 2HB GLU 27 2HB GLU 27 -0.593 -1.424 9.710 27 1HG GLU 27 1HG GLU 27 -2.505 -2.733 9.762 28 2HG GLU 27 2HG GLU 27 -2.406 -3.119 8.049 29 H THR 28 H THR 28 -3.382 0.778 9.021 30 HA THR 28 HA THR 28 -5.534 -0.615 7.658 31 HB THR 28 HB THR 28 -5.336 -1.610 9.912 32 HG1 THR 28 HG1 THR 28 -7.446 -0.916 8.719 33 1HG2 THR 28 1HG2 THR 28 -5.811 -0.321 11.890 34 H ILE 29 H ILE 29 -4.475 1.711 6.885 35 HA ILE 29 HA ILE 29 -5.465 4.062 7.958 36 HB ILE 29 HB ILE 29 -5.069 3.593 5.022 37 2HG1 ILE 29 2HG1 ILE 29 -2.962 3.035 5.597 38 1HG2 ILE 29 1HG2 ILE 29 -4.619 5.953 4.922 39 1HD1 ILE 29 1HD1 ILE 29 -2.569 5.302 4.792 40 H GLU 30 H GLU 30 -7.531 4.351 8.461 41 HA GLU 30 HA GLU 30 -9.843 4.027 8.288 42 1HB GLU 30 1HB GLU 30 -10.512 5.826 6.493 43 2HB GLU 30 2HB GLU 30 -9.694 6.288 7.982 44 1HG GLU 30 1HG GLU 30 -7.552 6.282 6.790 45 2HG GLU 30 2HG GLU 30 -8.394 5.866 5.300 46 H GLY 31 H GLY 31 -8.960 1.791 7.008 47 1HA GLY 31 1HA GLY 31 -11.017 0.785 5.651 48 2HA GLY 31 2HA GLY 31 -10.222 1.724 4.394 49 H VAL 32 H VAL 32 -7.669 1.427 4.760 50 HA VAL 32 HA VAL 32 -7.228 -1.132 3.704 51 HB VAL 32 HB VAL 32 -5.304 -0.178 3.136 52 1HG1 VAL 32 1HG1 VAL 32 -5.832 1.907 5.223 53 1HG2 VAL 32 1HG2 VAL 32 -3.505 0.050 4.813 54 H GLY 33 H GLY 33 -5.965 -2.797 4.580 55 1HA GLY 33 1HA GLY 33 -4.925 -3.731 6.668 56 2HA GLY 33 2HA GLY 33 -6.381 -3.162 7.483 57 HA PRO 34 HA PRO 34 -9.126 -6.501 6.547 58 1HB PRO 34 1HB PRO 34 -9.947 -5.470 3.919 59 2HB PRO 34 2HB PRO 34 -10.918 -5.779 5.348 60 1HG PRO 34 1HG PRO 34 -9.901 -3.283 4.405 61 2HG PRO 34 2HG PRO 34 -10.922 -3.591 5.817 62 1HD PRO 34 1HD PRO 34 -8.296 -2.723 5.898 63 2HD PRO 34 2HD PRO 34 -9.151 -3.505 7.238 64 H LYS 35 H LYS 35 -7.046 -5.324 3.974 65 HA LYS 35 HA LYS 35 -5.758 -7.726 3.474 66 1HB LYS 35 1HB LYS 35 -6.827 -8.225 1.210 67 2HB LYS 35 2HB LYS 35 -7.709 -8.733 2.644 68 1HG LYS 35 1HG LYS 35 -9.061 -6.652 2.449 69 2HG LYS 35 2HG LYS 35 -8.246 -6.332 0.918 70 1HD LYS 35 1HD LYS 35 -9.108 -8.395 -0.014 71 2HD LYS 35 2HD LYS 35 -9.847 -8.809 1.534 72 1HE LYS 35 1HE LYS 35 -11.522 -7.288 1.301 73 2HE LYS 35 2HE LYS 35 -10.546 -6.195 0.321 74 1HZ LYS 35 1HZ LYS 35 -10.839 -7.618 -1.562 75 2HZ LYS 35 2HZ LYS 35 -12.361 -7.292 -0.908 76 3HZ LYS 35 3HZ LYS 35 -11.631 -8.788 -0.635 77 H ARG 36 H ARG 36 -6.831 -4.645 2.460 78 HA ARG 36 HA ARG 36 -5.657 -4.062 0.145 79 1HB ARG 36 1HB ARG 36 -6.926 -2.464 1.411 80 2HB ARG 36 2HB ARG 36 -5.731 -2.468 2.693 81 1HG ARG 36 1HG ARG 36 -5.244 -0.550 1.603 82 2HG ARG 36 2HG ARG 36 -4.124 -1.687 0.862 83 1HD ARG 36 1HD ARG 36 -5.889 -0.042 -0.436 84 2HD ARG 36 2HD ARG 36 -5.070 -1.426 -1.150 85 HE ARG 36 HE ARG 36 -7.046 -2.638 -0.993 86 1HH1 ARG 36 1HH1 ARG 36 -7.386 0.521 0.455 87 1HH2 ARG 36 1HH2 ARG 36 -9.332 -2.767 -0.850 88 H ARG 37 H ARG 37 -4.043 -3.702 3.299 89 HA ARG 37 HA ARG 37 -1.532 -3.042 2.284 90 1HB ARG 37 1HB ARG 37 -2.408 -4.333 4.852 91 2HB ARG 37 2HB ARG 37 -0.716 -4.037 4.512 92 1HG ARG 37 1HG ARG 37 -2.551 -1.752 4.170 93 2HG ARG 37 2HG ARG 37 -2.281 -2.327 5.821 94 1HD ARG 37 1HD ARG 37 -0.148 -1.581 3.840 95 2HD ARG 37 2HD ARG 37 -0.645 -0.611 5.227 96 HE ARG 37 HE ARG 37 0.263 -3.308 5.808 97 1HH1 ARG 37 1HH1 ARG 37 1.123 0.074 5.597 98 1HH2 ARG 37 1HH2 ARG 37 2.054 -3.529 7.150 99 H GLN 38 H GLN 38 -2.864 -6.166 3.275 100 HA GLN 38 HA GLN 38 -0.727 -7.806 2.889 101 1HB GLN 38 1HB GLN 38 -2.239 -9.428 3.208 102 2HB GLN 38 2HB GLN 38 -3.455 -8.162 3.270 103 1HG GLN 38 1HG GLN 38 -3.929 -8.438 0.936 104 2HG GLN 38 2HG GLN 38 -2.610 -9.591 0.770 105 1HE2 GLN 38 1HE2 GLN 38 -4.650 -9.550 3.578 106 H MET 39 H MET 39 -2.967 -6.574 0.440 107 HA MET 39 HA MET 39 -2.146 -7.915 -1.787 108 1HB MET 39 1HB MET 39 -2.605 -4.929 -1.722 109 2HB MET 39 2HB MET 39 -2.804 -5.999 -3.104 110 1HG MET 39 1HG MET 39 -4.625 -7.138 -1.959 111 2HG MET 39 2HG MET 39 -4.431 -6.060 -0.583 112 1HE MET 39 1HE MET 39 -5.258 -6.248 -4.424 113 2HE MET 39 2HE MET 39 -6.792 -5.381 -4.354 114 3HE MET 39 3HE MET 39 -6.559 -6.840 -3.392 115 H LEU 40 H LEU 40 -0.679 -4.974 -0.486 116 HA LEU 40 HA LEU 40 1.432 -4.707 -2.237 117 1HB LEU 40 1HB LEU 40 1.438 -4.233 0.749 118 2HB LEU 40 2HB LEU 40 2.648 -3.642 -0.374 119 HG LEU 40 HG LEU 40 1.085 -1.884 0.204 120 1HD1 LEU 40 1HD1 LEU 40 0.801 -2.832 -2.636 121 1HD2 LEU 40 1HD2 LEU 40 -1.052 -3.536 -1.123 122 H LEU 41 H LEU 41 1.242 -6.481 0.794 123 HA LEU 41 HA LEU 41 3.817 -7.585 0.737 124 1HB LEU 41 1HB LEU 41 1.290 -8.554 2.075 125 2HB LEU 41 2HB LEU 41 2.885 -9.191 2.389 126 HG LEU 41 HG LEU 41 2.209 -7.576 4.108 127 1HD1 LEU 41 1HD1 LEU 41 4.386 -6.474 2.353 128 1HD2 LEU 41 1HD2 LEU 41 0.854 -6.232 2.529 129 H LYS 42 H LYS 42 0.871 -8.460 -0.807 130 HA LYS 42 HA LYS 42 1.842 -11.062 -1.618 131 1HB LYS 42 1HB LYS 42 -0.673 -9.485 -2.121 132 2HB LYS 42 2HB LYS 42 -0.293 -10.899 -3.098 133 1HG LYS 42 1HG LYS 42 -1.802 -11.230 -1.073 134 2HG LYS 42 2HG LYS 42 -0.454 -12.347 -1.277 135 1HD LYS 42 1HD LYS 42 0.865 -10.913 0.284 136 2HD LYS 42 2HD LYS 42 -0.604 -9.990 0.587 137 1HE LYS 42 1HE LYS 42 -0.406 -11.582 2.337 138 2HE LYS 42 2HE LYS 42 -1.695 -12.145 1.273 139 1HZ LYS 42 1HZ LYS 42 -0.230 -13.737 0.308 140 2HZ LYS 42 2HZ LYS 42 -0.111 -13.896 1.985 141 3HZ LYS 42 3HZ LYS 42 1.108 -13.105 1.126 142 H TYR 43 H TYR 43 1.983 -7.844 -2.560 143 HA TYR 43 HA TYR 43 2.565 -8.411 -5.360 144 1HB TYR 43 1HB TYR 43 1.812 -6.062 -3.769 145 2HB TYR 43 2HB TYR 43 3.052 -5.726 -4.973 146 HD1 TYR 43 HD1 TYR 43 2.547 -5.861 -7.349 147 HD2 TYR 43 HD2 TYR 43 -0.427 -6.749 -4.442 148 HE1 TYR 43 HE1 TYR 43 0.815 -5.733 -9.098 149 HE2 TYR 43 HE2 TYR 43 -2.166 -6.626 -6.174 150 HH TYR 43 HH TYR 43 -2.561 -5.712 -8.334 151 H MET 44 H MET 44 4.175 -7.599 -2.389 152 HA MET 44 HA MET 44 6.745 -7.486 -3.789 153 1HB MET 44 1HB MET 44 7.494 -6.250 -1.711 154 2HB MET 44 2HB MET 44 6.343 -5.424 -2.749 155 1HG MET 44 1HG MET 44 4.804 -6.834 -0.879 156 2HG MET 44 2HG MET 44 6.109 -6.098 0.018 157 1HE MET 44 1HE MET 44 5.875 -3.669 -2.842 158 2HE MET 44 2HE MET 44 6.850 -3.597 -1.374 159 3HE MET 44 3HE MET 44 5.602 -2.389 -1.661 160 H GLY 45 H GLY 45 4.933 -8.955 -1.188 161 1HA GLY 45 1HA GLY 45 5.297 -11.058 -0.280 162 2HA GLY 45 2HA GLY 45 6.846 -11.118 -1.104 163 H GLY 46 H GLY 46 6.053 -8.351 0.842 164 1HA GLY 46 1HA GLY 46 6.813 -9.184 3.333 165 2HA GLY 46 2HA GLY 46 8.309 -8.820 2.500 166 H LEU 47 H LEU 47 6.290 -7.619 4.624 167 HA LEU 47 HA LEU 47 5.564 -5.092 3.791 168 1HB LEU 47 1HB LEU 47 4.956 -6.135 5.978 169 2HB LEU 47 2HB LEU 47 6.583 -5.803 6.535 170 HG LEU 47 HG LEU 47 6.221 -3.501 6.653 171 1HD1 LEU 47 1HD1 LEU 47 5.333 -2.942 4.568 172 1HD2 LEU 47 1HD2 LEU 47 4.841 -5.011 8.232 173 H GLN 48 H GLN 48 8.646 -6.322 4.860 174 HA GLN 48 HA GLN 48 10.025 -3.910 5.110 175 1HB GLN 48 1HB GLN 48 10.701 -6.561 5.313 176 2HB GLN 48 2HB GLN 48 11.535 -6.082 3.840 177 1HG GLN 48 1HG GLN 48 11.799 -4.830 6.543 178 2HG GLN 48 2HG GLN 48 12.990 -5.835 5.723 179 1HE2 GLN 48 1HE2 GLN 48 11.514 -2.705 5.902 180 H GLY 49 H GLY 49 9.248 -5.925 2.346 181 1HA GLY 49 1HA GLY 49 10.754 -4.379 0.470 182 2HA GLY 49 2HA GLY 49 9.521 -5.581 0.080 183 H LEU 50 H LEU 50 7.759 -4.215 2.034 184 HA LEU 50 HA LEU 50 6.496 -2.435 0.149 185 1HB LEU 50 1HB LEU 50 5.056 -3.878 1.371 186 2HB LEU 50 2HB LEU 50 5.797 -3.445 2.891 187 HG LEU 50 HG LEU 50 4.789 -1.323 2.903 188 1HD1 LEU 50 1HD1 LEU 50 5.109 -0.916 0.449 189 1HD2 LEU 50 1HD2 LEU 50 3.360 -3.603 3.107 190 H ARG 51 H ARG 51 8.365 -2.372 3.022 191 HA ARG 51 HA ARG 51 8.054 0.400 3.600 192 1HB ARG 51 1HB ARG 51 10.180 -1.582 4.408 193 2HB ARG 51 2HB ARG 51 10.029 0.044 5.064 194 1HG ARG 51 1HG ARG 51 7.526 -1.281 5.290 195 2HG ARG 51 2HG ARG 51 8.789 -2.311 5.963 196 1HD ARG 51 1HD ARG 51 8.301 0.582 6.675 197 2HD ARG 51 2HD ARG 51 7.843 -0.809 7.658 198 HE ARG 51 HE ARG 51 10.615 -0.884 7.095 199 1HH1 ARG 51 1HH1 ARG 51 8.288 0.847 9.042 200 1HH2 ARG 51 1HH2 ARG 51 12.131 -0.380 8.733 201 H ASN 52 H ASN 52 10.362 -1.630 1.966 202 HA ASN 52 HA ASN 52 12.197 0.389 1.247 203 1HB ASN 52 1HB ASN 52 11.518 -2.265 -0.026 204 2HB ASN 52 2HB ASN 52 12.809 -1.225 -0.619 205 1HD2 ASN 52 1HD2 ASN 52 12.069 -1.404 2.756 206 H ALA 53 H ALA 53 9.376 -1.000 -0.262 207 HA ALA 53 HA ALA 53 9.474 0.585 -2.612 208 1HB ALA 53 1HB ALA 53 8.252 -1.548 -2.512 209 2HB ALA 53 2HB ALA 53 7.213 -0.217 -3.019 210 3HB ALA 53 3HB ALA 53 7.117 -0.836 -1.368 211 H SER 54 H SER 54 8.771 2.609 -2.936 212 HA SER 54 HA SER 54 7.307 3.905 -0.758 213 1HB SER 54 1HB SER 54 8.862 5.267 -2.966 214 2HB SER 54 2HB SER 54 8.293 5.975 -1.454 215 HG SER 54 HG SER 54 10.529 4.422 -1.967 216 H VAL 55 H VAL 55 6.189 6.001 -2.109 217 HA VAL 55 HA VAL 55 3.869 4.968 -3.149 218 HB VAL 55 HB VAL 55 5.279 7.570 -3.438 219 1HG1 VAL 55 1HG1 VAL 55 4.555 7.174 -5.714 220 1HG2 VAL 55 1HG2 VAL 55 2.504 6.751 -2.583 221 H GLU 56 H GLU 56 6.854 5.807 -4.721 222 HA GLU 56 HA GLU 56 6.319 5.580 -7.363 223 1HB GLU 56 1HB GLU 56 8.664 4.762 -7.592 224 2HB GLU 56 2HB GLU 56 8.501 6.191 -6.589 225 1HG GLU 56 1HG GLU 56 8.608 4.749 -4.594 226 2HG GLU 56 2HG GLU 56 8.874 3.361 -5.643 227 H GLU 57 H GLU 57 7.259 2.833 -5.265 228 HA GLU 57 HA GLU 57 6.606 0.961 -7.358 229 1HB GLU 57 1HB GLU 57 8.020 0.941 -4.797 230 2HB GLU 57 2HB GLU 57 7.085 -0.502 -5.127 231 1HG GLU 57 1HG GLU 57 8.968 0.623 -7.148 232 2HG GLU 57 2HG GLU 57 9.529 -0.433 -5.859 233 H ILE 58 H ILE 58 5.459 1.793 -4.113 234 HA ILE 58 HA ILE 58 3.494 -0.113 -3.814 235 HB ILE 58 HB ILE 58 3.640 2.750 -2.899 236 2HG1 ILE 58 2HG1 ILE 58 5.156 0.782 -2.047 237 1HG2 ILE 58 1HG2 ILE 58 1.593 0.687 -2.112 238 1HD1 ILE 58 1HD1 ILE 58 5.141 1.646 0.246 239 H ALA 59 H ALA 59 3.632 2.713 -5.785 240 HA ALA 59 HA ALA 59 0.841 2.853 -6.371 241 1HB ALA 59 1HB ALA 59 3.201 4.030 -7.830 242 2HB ALA 59 2HB ALA 59 2.271 4.812 -6.551 243 3HB ALA 59 3HB ALA 59 1.510 4.450 -8.101 244 H LYS 60 H LYS 60 2.004 0.213 -6.753 245 HA LYS 60 HA LYS 60 1.419 -0.103 -9.625 246 1HB LYS 60 1HB LYS 60 3.750 -1.123 -8.078 247 2HB LYS 60 2HB LYS 60 3.048 -2.188 -9.288 248 1HG LYS 60 1HG LYS 60 4.775 -1.048 -10.380 249 2HG LYS 60 2HG LYS 60 3.287 -0.268 -10.913 250 1HD LYS 60 1HD LYS 60 3.653 1.493 -9.213 251 2HD LYS 60 2HD LYS 60 5.192 0.731 -8.803 252 1HE LYS 60 1HE LYS 60 5.844 1.008 -11.217 253 2HE LYS 60 2HE LYS 60 4.391 1.983 -11.424 254 1HZ LYS 60 1HZ LYS 60 6.631 2.573 -9.578 255 2HZ LYS 60 2HZ LYS 60 5.224 3.489 -9.713 256 3HZ LYS 60 3HZ LYS 60 6.290 3.383 -11.018 257 H VAL 61 H VAL 61 -0.187 -0.315 -7.227 258 HA VAL 61 HA VAL 61 -0.875 -3.177 -7.342 259 HB VAL 61 HB VAL 61 -2.044 -1.822 -5.074 260 1HG1 VAL 61 1HG1 VAL 61 0.080 -3.966 -5.182 261 1HG2 VAL 61 1HG2 VAL 61 -0.066 -0.352 -5.404 262 HA PRO 62 HA PRO 62 -5.007 -2.356 -8.626 263 1HB PRO 62 1HB PRO 62 -6.777 -2.564 -6.583 264 2HB PRO 62 2HB PRO 62 -6.020 -3.942 -7.373 265 1HG PRO 62 1HG PRO 62 -5.211 -2.567 -4.828 266 2HG PRO 62 2HG PRO 62 -5.359 -4.306 -5.171 267 1HD PRO 62 1HD PRO 62 -3.001 -3.080 -5.181 268 2HD PRO 62 2HD PRO 62 -3.361 -4.362 -6.350 269 H GLY 63 H GLY 63 -6.148 -1.047 -5.698 270 1HA GLY 63 1HA GLY 63 -6.774 1.447 -7.014 271 2HA GLY 63 2HA GLY 63 -7.226 0.993 -5.373 272 H ILE 64 H ILE 64 -4.130 0.242 -5.544 273 HA ILE 64 HA ILE 64 -3.284 2.600 -4.142 274 HB ILE 64 HB ILE 64 -1.521 0.280 -4.784 275 2HG1 ILE 64 2HG1 ILE 64 -3.620 -0.733 -4.100 276 1HG2 ILE 64 1HG2 ILE 64 -0.822 2.400 -3.540 277 1HD1 ILE 64 1HD1 ILE 64 -2.191 -2.127 -3.083 278 H SER 65 H SER 65 -3.159 4.138 -5.767 279 HA SER 65 HA SER 65 -1.024 3.753 -7.742 280 1HB SER 65 1HB SER 65 -3.629 5.217 -7.820 281 2HB SER 65 2HB SER 65 -2.295 5.805 -8.803 282 HG SER 65 HG SER 65 -2.193 3.459 -9.492 283 H GLN 66 H GLN 66 -2.708 6.497 -6.296 284 HA GLN 66 HA GLN 66 -0.109 7.561 -5.428 285 1HB GLN 66 1HB GLN 66 -1.019 8.828 -7.374 286 2HB GLN 66 2HB GLN 66 -2.459 9.181 -6.426 287 1HG GLN 66 1HG GLN 66 -0.711 10.996 -6.534 288 2HG GLN 66 2HG GLN 66 -1.277 10.542 -4.926 289 1HE2 GLN 66 1HE2 GLN 66 0.535 11.198 -3.852 290 H GLY 67 H GLY 67 -3.622 7.703 -5.012 291 1HA GLY 67 1HA GLY 67 -3.590 8.948 -2.489 292 2HA GLY 67 2HA GLY 67 -4.899 7.949 -3.109 293 H LEU 68 H LEU 68 -4.225 5.524 -3.158 294 HA LEU 68 HA LEU 68 -3.835 4.704 -0.488 295 1HB LEU 68 1HB LEU 68 -4.808 3.517 -2.792 296 2HB LEU 68 2HB LEU 68 -3.304 2.662 -2.528 297 HG LEU 68 HG LEU 68 -4.921 1.360 -1.453 298 1HD1 LEU 68 1HD1 LEU 68 -4.462 1.662 0.988 299 1HD2 LEU 68 1HD2 LEU 68 -5.983 3.833 -0.097 300 H ALA 69 H ALA 69 -1.779 4.779 -3.340 301 HA ALA 69 HA ALA 69 0.421 3.420 -2.366 302 1HB ALA 69 1HB ALA 69 0.246 4.222 -4.700 303 2HB ALA 69 2HB ALA 69 1.788 4.645 -3.953 304 3HB ALA 69 3HB ALA 69 0.527 5.869 -4.129 305 H GLU 70 H GLU 70 -0.394 6.843 -2.084 306 HA GLU 70 HA GLU 70 1.768 7.675 -0.534 307 1HB GLU 70 1HB GLU 70 -1.044 8.580 -0.841 308 2HB GLU 70 2HB GLU 70 0.006 9.357 0.337 309 1HG GLU 70 1HG GLU 70 0.864 8.996 -2.455 310 2HG GLU 70 2HG GLU 70 -0.265 10.257 -2.060 311 H LYS 71 H LYS 71 -1.477 6.740 0.375 312 HA LYS 71 HA LYS 71 -1.392 6.830 3.103 313 1HB LYS 71 1HB LYS 71 -2.837 5.168 1.088 314 2HB LYS 71 2HB LYS 71 -3.012 4.759 2.779 315 1HG LYS 71 1HG LYS 71 -4.697 6.354 1.628 316 2HG LYS 71 2HG LYS 71 -4.147 6.678 3.270 317 1HD LYS 71 1HD LYS 71 -2.928 8.500 2.649 318 2HD LYS 71 2HD LYS 71 -2.588 7.871 1.043 319 1HE LYS 71 1HE LYS 71 -4.040 9.739 0.802 320 2HE LYS 71 2HE LYS 71 -4.964 8.279 0.445 321 1HZ LYS 71 1HZ LYS 71 -5.005 9.230 3.198 322 2HZ LYS 71 2HZ LYS 71 -6.234 8.534 2.276 323 3HZ LYS 71 3HZ LYS 71 -5.839 10.158 2.063 324 H ILE 72 H ILE 72 -0.410 4.218 0.973 325 HA ILE 72 HA ILE 72 0.342 2.453 3.082 326 HB ILE 72 HB ILE 72 1.079 2.391 0.159 327 2HG1 ILE 72 2HG1 ILE 72 -1.290 2.282 0.372 328 1HG2 ILE 72 1HG2 ILE 72 1.855 0.224 0.433 329 1HD1 ILE 72 1HD1 ILE 72 -1.861 0.111 -0.407 330 H PHE 73 H PHE 73 2.066 4.604 0.858 331 HA PHE 73 HA PHE 73 4.668 3.929 1.477 332 1HB PHE 73 1HB PHE 73 4.546 5.514 -0.212 333 2HB PHE 73 2HB PHE 73 3.372 6.499 0.658 334 HD1 PHE 73 HD1 PHE 73 4.045 8.228 2.103 335 HD2 PHE 73 HD2 PHE 73 6.932 5.551 0.495 336 HE1 PHE 73 HE1 PHE 73 5.845 9.658 2.970 337 HE2 PHE 73 HE2 PHE 73 8.742 6.976 1.352 338 HZ PHE 73 HZ PHE 73 8.190 9.036 2.608 339 H TRP 74 H TRP 74 2.657 6.396 3.013 340 HA TRP 74 HA TRP 74 4.466 6.977 5.100 341 1HB TRP 74 1HB TRP 74 1.454 7.318 4.945 342 2HB TRP 74 2HB TRP 74 2.485 8.033 6.178 343 HD1 TRP 74 HD1 TRP 74 1.324 8.553 2.622 344 HE1 TRP 74 HE1 TRP 74 2.314 10.749 1.706 345 HE3 TRP 74 HE3 TRP 74 4.602 9.575 6.393 346 HZ2 TRP 74 HZ2 TRP 74 4.227 12.674 2.515 347 HZ3 TRP 74 HZ3 TRP 74 5.967 11.614 6.251 348 HH2 TRP 74 HH2 TRP 74 5.784 13.128 4.354 349 H SER 75 H SER 75 2.286 4.444 4.489 350 HA SER 75 HA SER 75 1.829 3.576 7.134 351 1HB SER 75 1HB SER 75 0.587 2.972 4.916 352 2HB SER 75 2HB SER 75 1.811 1.711 4.784 353 HG SER 75 HG SER 75 1.002 1.527 7.223 354 H LEU 76 H LEU 76 4.574 3.477 5.137 355 HA LEU 76 HA LEU 76 5.810 1.481 6.935 356 1HB LEU 76 1HB LEU 76 7.144 1.983 4.370 357 2HB LEU 76 2HB LEU 76 6.976 0.501 5.256 358 HG LEU 76 HG LEU 76 5.860 0.057 3.297 359 1HD1 LEU 76 1HD1 LEU 76 3.602 -0.234 3.811 360 1HD2 LEU 76 1HD2 LEU 76 4.382 1.666 2.168 361 H LYS 77 H LYS 77 6.800 3.829 4.547 362 HA LYS 77 HA LYS 77 9.208 4.530 5.809 363 1HB LYS 77 1HB LYS 77 7.849 5.096 3.384 364 2HB LYS 77 2HB LYS 77 8.359 6.630 4.094 365 1HG LYS 77 1HG LYS 77 10.252 6.133 2.945 366 2HG LYS 77 2HG LYS 77 10.607 5.268 4.445 367 1HD LYS 77 1HD LYS 77 11.037 3.613 2.939 368 2HD LYS 77 2HD LYS 77 9.318 3.325 3.214 369 1HE LYS 77 1HE LYS 77 8.788 4.647 1.224 370 2HE LYS 77 2HE LYS 77 10.508 4.923 0.950 371 1HZ LYS 77 1HZ LYS 77 9.836 3.155 -0.444 372 2HZ LYS 77 2HZ LYS 77 9.056 2.344 0.812 373 3HZ LYS 77 3HZ LYS 77 10.742 2.464 0.801 374 H HIS 78 H HIS 78 6.539 5.021 7.337 375 HA HIS 78 HA HIS 78 7.500 7.244 8.784 376 1HB HIS 78 1HB HIS 78 6.593 8.371 6.690 377 2HB HIS 78 2HB HIS 78 4.992 7.854 7.225 378 HD1 HIS 78 HD1 HIS 78 7.051 10.707 7.331 379 HD2 HIS 78 HD2 HIS 78 4.630 8.820 10.126 380 HE1 HIS 78 HE1 HIS 78 6.561 12.438 9.074 381 HE2 HIS 78 HE2 HIS 78 5.274 11.210 10.856 Start of MODEL 20 1 H THR 23 H THR 23 -0.145 10.568 10.343 2 HA THR 23 HA THR 23 -1.600 12.622 10.414 3 HB THR 23 HB THR 23 -1.983 11.974 7.494 4 HG1 THR 23 HG1 THR 23 0.111 13.122 8.597 5 1HG2 THR 23 1HG2 THR 23 -3.076 14.175 7.455 6 H SER 24 H SER 24 -1.525 9.403 9.556 7 HA SER 24 HA SER 24 -3.945 8.804 10.873 8 1HB SER 24 1HB SER 24 -4.469 7.675 8.325 9 2HB SER 24 2HB SER 24 -5.406 8.890 9.189 10 HG SER 24 HG SER 24 -4.235 10.499 8.188 11 H SER 25 H SER 25 -4.289 6.450 10.956 12 HA SER 25 HA SER 25 -1.807 5.053 11.003 13 1HB SER 25 1HB SER 25 -4.539 3.791 11.238 14 2HB SER 25 2HB SER 25 -3.025 3.276 11.989 15 HG SER 25 HG SER 25 -3.416 5.736 12.799 16 H LEU 26 H LEU 26 -1.563 5.666 8.617 17 HA LEU 26 HA LEU 26 -3.032 4.540 6.573 18 1HB LEU 26 1HB LEU 26 -0.145 5.292 6.794 19 2HB LEU 26 2HB LEU 26 -0.794 4.595 5.324 20 HG LEU 26 HG LEU 26 -0.782 6.932 4.995 21 1HD1 LEU 26 1HD1 LEU 26 -2.910 5.592 4.471 22 1HD2 LEU 26 1HD2 LEU 26 -0.610 7.404 7.491 23 H GLU 27 H GLU 27 -0.783 3.037 8.721 24 HA GLU 27 HA GLU 27 -0.283 0.762 7.041 25 1HB GLU 27 1HB GLU 27 0.822 -0.184 9.001 26 2HB GLU 27 2HB GLU 27 1.361 1.462 8.690 27 1HG GLU 27 1HG GLU 27 -0.881 1.016 10.586 28 2HG GLU 27 2HG GLU 27 0.763 0.675 11.098 29 H THR 28 H THR 28 -2.796 1.702 9.138 30 HA THR 28 HA THR 28 -4.024 -0.931 8.876 31 HB THR 28 HB THR 28 -2.880 -1.008 11.040 32 HG1 THR 28 HG1 THR 28 -5.718 -0.764 11.147 33 1HG2 THR 28 1HG2 THR 28 -2.907 1.450 11.452 34 H ILE 29 H ILE 29 -4.351 2.024 8.060 35 HA ILE 29 HA ILE 29 -6.520 3.183 9.209 36 HB ILE 29 HB ILE 29 -6.975 3.793 6.689 37 2HG1 ILE 29 2HG1 ILE 29 -5.371 2.144 5.822 38 1HG2 ILE 29 1HG2 ILE 29 -4.548 4.926 7.981 39 1HD1 ILE 29 1HD1 ILE 29 -3.978 3.762 4.448 40 H GLU 30 H GLU 30 -8.740 2.995 8.941 41 HA GLU 30 HA GLU 30 -10.620 1.702 8.928 42 1HB GLU 30 1HB GLU 30 -9.594 1.960 6.163 43 2HB GLU 30 2HB GLU 30 -10.926 0.838 6.413 44 1HG GLU 30 1HG GLU 30 -10.883 3.776 7.046 45 2HG GLU 30 2HG GLU 30 -11.800 2.971 5.775 46 H GLY 31 H GLY 31 -8.182 0.347 9.681 47 1HA GLY 31 1HA GLY 31 -7.471 -1.763 10.181 48 2HA GLY 31 2HA GLY 31 -9.139 -2.250 9.941 49 H VAL 32 H VAL 32 -6.996 -0.913 7.485 50 HA VAL 32 HA VAL 32 -7.537 -2.815 5.599 51 HB VAL 32 HB VAL 32 -5.463 -2.205 4.524 52 1HG1 VAL 32 1HG1 VAL 32 -5.900 0.471 5.308 53 1HG2 VAL 32 1HG2 VAL 32 -3.783 -0.849 5.545 54 H GLY 33 H GLY 33 -5.810 -4.314 4.745 55 1HA GLY 33 1HA GLY 33 -3.812 -5.629 5.749 56 2HA GLY 33 2HA GLY 33 -5.023 -6.076 6.940 57 HA PRO 34 HA PRO 34 -7.011 -9.203 4.589 58 1HB PRO 34 1HB PRO 34 -9.227 -8.105 3.339 59 2HB PRO 34 2HB PRO 34 -9.182 -8.638 5.024 60 1HG PRO 34 1HG PRO 34 -8.752 -5.891 3.901 61 2HG PRO 34 2HG PRO 34 -9.780 -6.387 5.271 62 1HD PRO 34 1HD PRO 34 -7.418 -5.344 5.766 63 2HD PRO 34 2HD PRO 34 -7.895 -6.809 6.653 64 H LYS 35 H LYS 35 -6.895 -6.172 2.759 65 HA LYS 35 HA LYS 35 -5.843 -7.684 0.483 66 1HB LYS 35 1HB LYS 35 -8.101 -5.694 0.349 67 2HB LYS 35 2HB LYS 35 -7.231 -6.301 -1.054 68 1HG LYS 35 1HG LYS 35 -8.555 -8.179 0.863 69 2HG LYS 35 2HG LYS 35 -9.456 -7.407 -0.444 70 1HD LYS 35 1HD LYS 35 -6.877 -8.679 -1.132 71 2HD LYS 35 2HD LYS 35 -8.226 -9.749 -0.735 72 1HE LYS 35 1HE LYS 35 -9.582 -8.782 -2.460 73 2HE LYS 35 2HE LYS 35 -8.384 -7.529 -2.767 74 1HZ LYS 35 1HZ LYS 35 -8.533 -9.644 -4.262 75 2HZ LYS 35 2HZ LYS 35 -7.574 -10.327 -3.050 76 3HZ LYS 35 3HZ LYS 35 -7.034 -8.963 -3.882 77 H ARG 36 H ARG 36 -6.421 -4.469 1.857 78 HA ARG 36 HA ARG 36 -4.847 -3.004 0.150 79 1HB ARG 36 1HB ARG 36 -5.877 -1.553 1.547 80 2HB ARG 36 2HB ARG 36 -5.832 -2.672 2.879 81 1HG ARG 36 1HG ARG 36 -4.427 -1.147 3.712 82 2HG ARG 36 2HG ARG 36 -3.260 -2.083 2.790 83 1HD ARG 36 1HD ARG 36 -3.799 -0.515 0.879 84 2HD ARG 36 2HD ARG 36 -4.577 0.499 2.088 85 HE ARG 36 HE ARG 36 -1.738 0.042 1.777 86 1HH1 ARG 36 1HH1 ARG 36 -4.349 1.355 3.675 87 1HH2 ARG 36 1HH2 ARG 36 -0.352 1.217 3.182 88 H ARG 37 H ARG 37 -3.827 -4.218 3.335 89 HA ARG 37 HA ARG 37 -1.064 -3.721 2.780 90 1HB ARG 37 1HB ARG 37 -2.376 -5.333 4.982 91 2HB ARG 37 2HB ARG 37 -0.677 -4.906 4.932 92 1HG ARG 37 1HG ARG 37 -2.717 -2.739 4.806 93 2HG ARG 37 2HG ARG 37 -2.342 -3.500 6.354 94 1HD ARG 37 1HD ARG 37 -0.004 -2.756 4.749 95 2HD ARG 37 2HD ARG 37 -0.996 -1.397 5.276 96 HE ARG 37 HE ARG 37 -0.733 -2.434 7.584 97 1HH1 ARG 37 1HH1 ARG 37 1.685 -2.736 5.062 98 1HH2 ARG 37 1HH2 ARG 37 1.005 -2.562 9.036 99 H GLN 38 H GLN 38 -3.289 -6.327 2.573 100 HA GLN 38 HA GLN 38 -1.610 -8.512 2.325 101 1HB GLN 38 1HB GLN 38 -4.366 -7.868 1.836 102 2HB GLN 38 2HB GLN 38 -3.750 -8.883 0.541 103 1HG GLN 38 1HG GLN 38 -3.878 -9.480 3.463 104 2HG GLN 38 2HG GLN 38 -4.620 -10.341 2.131 105 1HE2 GLN 38 1HE2 GLN 38 -1.804 -9.906 4.023 106 H MET 39 H MET 39 -2.771 -6.229 -0.106 107 HA MET 39 HA MET 39 -1.838 -7.586 -2.331 108 1HB MET 39 1HB MET 39 -2.419 -4.729 -1.807 109 2HB MET 39 2HB MET 39 -1.745 -5.248 -3.354 110 1HG MET 39 1HG MET 39 -4.065 -6.712 -2.240 111 2HG MET 39 2HG MET 39 -4.310 -5.141 -2.948 112 1HE MET 39 1HE MET 39 -3.171 -9.012 -5.086 113 2HE MET 39 2HE MET 39 -3.527 -8.784 -3.374 114 3HE MET 39 3HE MET 39 -1.967 -8.282 -4.025 115 H LEU 40 H LEU 40 -0.301 -4.847 -0.667 116 HA LEU 40 HA LEU 40 2.061 -4.773 -2.013 117 1HB LEU 40 1HB LEU 40 1.551 -4.376 0.929 118 2HB LEU 40 2HB LEU 40 3.073 -3.983 0.148 119 HG LEU 40 HG LEU 40 1.762 -1.987 0.393 120 1HD1 LEU 40 1HD1 LEU 40 1.660 -2.844 -2.480 121 1HD2 LEU 40 1HD2 LEU 40 -0.373 -3.397 -1.190 122 H LEU 41 H LEU 41 1.464 -6.655 0.958 123 HA LEU 41 HA LEU 41 3.915 -7.987 0.962 124 1HB LEU 41 1HB LEU 41 1.287 -8.400 2.256 125 2HB LEU 41 2HB LEU 41 2.362 -9.787 2.204 126 HG LEU 41 HG LEU 41 2.423 -8.163 4.252 127 1HD1 LEU 41 1HD1 LEU 41 3.926 -10.097 3.808 128 1HD2 LEU 41 1HD2 LEU 41 3.885 -6.304 4.054 129 H LYS 42 H LYS 42 0.806 -9.005 -0.438 130 HA LYS 42 HA LYS 42 1.905 -11.428 -1.465 131 1HB LYS 42 1HB LYS 42 -0.610 -9.931 -2.234 132 2HB LYS 42 2HB LYS 42 -0.215 -11.578 -2.728 133 1HG LYS 42 1HG LYS 42 -1.317 -10.607 -0.226 134 2HG LYS 42 2HG LYS 42 -1.302 -12.240 -0.903 135 1HD LYS 42 1HD LYS 42 1.189 -12.244 -0.213 136 2HD LYS 42 2HD LYS 42 0.751 -10.879 0.806 137 1HE LYS 42 1HE LYS 42 0.678 -13.365 1.696 138 2HE LYS 42 2HE LYS 42 -0.468 -12.145 2.235 139 1HZ LYS 42 1HZ LYS 42 -0.907 -14.272 0.232 140 2HZ LYS 42 2HZ LYS 42 -1.967 -12.977 0.436 141 3HZ LYS 42 3HZ LYS 42 -1.696 -14.053 1.703 142 H TYR 43 H TYR 43 2.032 -8.222 -2.437 143 HA TYR 43 HA TYR 43 2.480 -8.767 -5.245 144 1HB TYR 43 1HB TYR 43 2.006 -6.414 -3.587 145 2HB TYR 43 2HB TYR 43 3.283 -6.153 -4.767 146 HD1 TYR 43 HD1 TYR 43 2.712 -5.527 -6.940 147 HD2 TYR 43 HD2 TYR 43 -0.203 -7.441 -4.499 148 HE1 TYR 43 HE1 TYR 43 1.013 -5.160 -8.681 149 HE2 TYR 43 HE2 TYR 43 -1.905 -7.075 -6.231 150 HH TYR 43 HH TYR 43 -2.333 -5.636 -8.102 151 H MET 44 H MET 44 4.319 -7.951 -2.382 152 HA MET 44 HA MET 44 6.816 -8.076 -3.932 153 1HB MET 44 1HB MET 44 7.839 -6.926 -2.036 154 2HB MET 44 2HB MET 44 6.435 -6.032 -2.609 155 1HG MET 44 1HG MET 44 5.159 -7.332 -0.795 156 2HG MET 44 2HG MET 44 6.750 -7.649 -0.118 157 1HE MET 44 1HE MET 44 6.104 -4.308 -2.085 158 2HE MET 44 2HE MET 44 5.267 -3.344 -0.870 159 3HE MET 44 3HE MET 44 4.490 -4.775 -1.546 160 H GLY 45 H GLY 45 5.173 -9.335 -1.084 161 1HA GLY 45 1HA GLY 45 5.396 -11.515 -0.271 162 2HA GLY 45 2HA GLY 45 6.892 -11.686 -1.171 163 H GLY 46 H GLY 46 6.264 -8.909 0.842 164 1HA GLY 46 1HA GLY 46 7.250 -9.735 3.278 165 2HA GLY 46 2HA GLY 46 8.655 -9.321 2.305 166 H LEU 47 H LEU 47 6.509 -8.132 4.488 167 HA LEU 47 HA LEU 47 5.661 -5.684 3.702 168 1HB LEU 47 1HB LEU 47 5.227 -6.478 5.911 169 2HB LEU 47 2HB LEU 47 6.921 -6.419 6.326 170 HG LEU 47 HG LEU 47 6.941 -4.042 6.341 171 1HD1 LEU 47 1HD1 LEU 47 4.852 -2.749 5.856 172 1HD2 LEU 47 1HD2 LEU 47 4.364 -4.821 7.684 173 H GLN 48 H GLN 48 8.931 -6.417 4.879 174 HA GLN 48 HA GLN 48 10.055 -3.955 4.910 175 1HB GLN 48 1HB GLN 48 11.150 -6.322 5.112 176 2HB GLN 48 2HB GLN 48 11.472 -6.103 3.394 177 1HG GLN 48 1HG GLN 48 13.392 -5.384 4.589 178 2HG GLN 48 2HG GLN 48 12.586 -3.952 3.948 179 1HE2 GLN 48 1HE2 GLN 48 13.517 -5.679 6.756 180 H GLY 49 H GLY 49 9.452 -5.946 2.052 181 1HA GLY 49 1HA GLY 49 10.602 -4.274 0.121 182 2HA GLY 49 2HA GLY 49 9.264 -5.386 -0.175 183 H LEU 50 H LEU 50 7.518 -4.282 1.687 184 HA LEU 50 HA LEU 50 6.375 -2.190 0.112 185 1HB LEU 50 1HB LEU 50 4.723 -3.397 1.130 186 2HB LEU 50 2HB LEU 50 5.654 -3.649 2.591 187 HG LEU 50 HG LEU 50 5.202 -1.399 3.325 188 1HD1 LEU 50 1HD1 LEU 50 5.128 -0.448 0.991 189 1HD2 LEU 50 1HD2 LEU 50 2.600 -2.585 2.392 190 H ARG 51 H ARG 51 7.951 -2.466 3.210 191 HA ARG 51 HA ARG 51 7.824 0.208 3.981 192 1HB ARG 51 1HB ARG 51 9.922 -1.884 4.562 193 2HB ARG 51 2HB ARG 51 9.780 -0.346 5.409 194 1HG ARG 51 1HG ARG 51 7.336 -1.153 5.840 195 2HG ARG 51 2HG ARG 51 8.026 -2.741 5.519 196 1HD ARG 51 1HD ARG 51 9.860 -1.932 7.201 197 2HD ARG 51 2HD ARG 51 8.592 -0.822 7.719 198 HE ARG 51 HE ARG 51 7.313 -2.649 8.461 199 1HH1 ARG 51 1HH1 ARG 51 10.416 -3.631 7.167 200 1HH2 ARG 51 1HH2 ARG 51 7.247 -4.732 9.411 201 H ASN 52 H ASN 52 9.668 -1.536 1.696 202 HA ASN 52 HA ASN 52 11.571 0.639 1.240 203 1HB ASN 52 1HB ASN 52 11.325 -2.162 0.127 204 2HB ASN 52 2HB ASN 52 12.468 -0.984 -0.508 205 1HD2 ASN 52 1HD2 ASN 52 11.516 -1.546 2.844 206 H ALA 53 H ALA 53 8.560 -0.342 0.345 207 HA ALA 53 HA ALA 53 8.691 0.602 -2.395 208 1HB ALA 53 1HB ALA 53 6.379 -0.498 -0.796 209 2HB ALA 53 2HB ALA 53 7.389 -1.403 -1.924 210 3HB ALA 53 3HB ALA 53 6.349 -0.108 -2.517 211 H SER 54 H SER 54 8.204 2.614 -2.952 212 HA SER 54 HA SER 54 6.837 4.296 -0.968 213 1HB SER 54 1HB SER 54 8.619 5.228 -3.237 214 2HB SER 54 2HB SER 54 7.993 6.196 -1.904 215 HG SER 54 HG SER 54 9.795 4.013 -1.646 216 H VAL 55 H VAL 55 5.842 6.267 -2.563 217 HA VAL 55 HA VAL 55 3.560 5.167 -3.602 218 HB VAL 55 HB VAL 55 5.059 7.624 -4.456 219 1HG1 VAL 55 1HG1 VAL 55 2.440 6.528 -5.424 220 1HG2 VAL 55 1HG2 VAL 55 2.456 7.365 -2.971 221 H GLU 56 H GLU 56 6.602 5.858 -5.173 222 HA GLU 56 HA GLU 56 6.130 5.195 -7.764 223 1HB GLU 56 1HB GLU 56 8.480 4.451 -7.847 224 2HB GLU 56 2HB GLU 56 8.294 5.966 -6.998 225 1HG GLU 56 1HG GLU 56 8.531 4.880 -4.887 226 2HG GLU 56 2HG GLU 56 8.535 3.297 -5.652 227 H GLU 57 H GLU 57 6.937 2.980 -5.146 228 HA GLU 57 HA GLU 57 6.593 0.622 -6.761 229 1HB GLU 57 1HB GLU 57 7.049 1.048 -3.834 230 2HB GLU 57 2HB GLU 57 7.085 -0.499 -4.635 231 1HG GLU 57 1HG GLU 57 8.935 1.768 -5.231 232 2HG GLU 57 2HG GLU 57 9.287 0.372 -4.231 233 H ILE 58 H ILE 58 5.254 1.858 -3.773 234 HA ILE 58 HA ILE 58 3.200 0.139 -3.322 235 HB ILE 58 HB ILE 58 3.337 3.101 -2.826 236 2HG1 ILE 58 2HG1 ILE 58 5.144 1.670 -1.822 237 1HG2 ILE 58 1HG2 ILE 58 1.536 2.915 -1.373 238 1HD1 ILE 58 1HD1 ILE 58 3.225 2.881 0.150 239 H ALA 59 H ALA 59 3.435 2.674 -5.661 240 HA ALA 59 HA ALA 59 0.605 2.673 -6.217 241 1HB ALA 59 1HB ALA 59 1.158 4.244 -8.009 242 2HB ALA 59 2HB ALA 59 2.875 3.995 -7.693 243 3HB ALA 59 3HB ALA 59 1.849 4.736 -6.464 244 H LYS 60 H LYS 60 2.334 0.209 -6.508 245 HA LYS 60 HA LYS 60 1.778 -0.336 -9.356 246 1HB LYS 60 1HB LYS 60 3.945 -1.219 -7.530 247 2HB LYS 60 2HB LYS 60 3.327 -2.420 -8.649 248 1HG LYS 60 1HG LYS 60 5.178 -1.441 -9.701 249 2HG LYS 60 2HG LYS 60 3.760 -0.748 -10.482 250 1HD LYS 60 1HD LYS 60 4.068 1.319 -9.523 251 2HD LYS 60 2HD LYS 60 4.973 0.661 -8.159 252 1HE LYS 60 1HE LYS 60 5.998 0.709 -10.988 253 2HE LYS 60 2HE LYS 60 6.354 1.954 -9.795 254 1HZ LYS 60 1HZ LYS 60 7.044 -0.918 -9.564 255 2HZ LYS 60 2HZ LYS 60 7.364 0.253 -8.394 256 3HZ LYS 60 3HZ LYS 60 8.121 0.335 -9.902 257 H VAL 61 H VAL 61 0.128 -0.443 -6.800 258 HA VAL 61 HA VAL 61 -0.647 -3.278 -7.005 259 HB VAL 61 HB VAL 61 -1.719 -2.258 -4.617 260 1HG1 VAL 61 1HG1 VAL 61 -0.939 -4.541 -4.948 261 1HG2 VAL 61 1HG2 VAL 61 -0.346 -0.402 -4.440 262 HA PRO 62 HA PRO 62 -4.972 -2.676 -7.852 263 1HB PRO 62 1HB PRO 62 -5.980 -2.228 -5.181 264 2HB PRO 62 2HB PRO 62 -6.129 -3.672 -6.181 265 1HG PRO 62 1HG PRO 62 -4.182 -3.035 -4.054 266 2HG PRO 62 2HG PRO 62 -4.737 -4.616 -4.634 267 1HD PRO 62 1HD PRO 62 -2.301 -3.746 -5.184 268 2HD PRO 62 2HD PRO 62 -3.223 -4.639 -6.398 269 H GLY 63 H GLY 63 -6.880 -1.042 -6.387 270 1HA GLY 63 1HA GLY 63 -6.787 1.363 -7.531 271 2HA GLY 63 2HA GLY 63 -7.360 1.188 -5.878 272 H ILE 64 H ILE 64 -4.591 0.282 -5.121 273 HA ILE 64 HA ILE 64 -3.612 2.573 -4.056 274 HB ILE 64 HB ILE 64 -1.852 0.293 -4.858 275 2HG1 ILE 64 2HG1 ILE 64 -3.797 -0.677 -3.856 276 1HG2 ILE 64 1HG2 ILE 64 -1.759 1.967 -2.375 277 1HD1 ILE 64 1HD1 ILE 64 -2.758 -1.135 -1.414 278 H SER 65 H SER 65 -3.030 4.283 -5.021 279 HA SER 65 HA SER 65 -0.730 4.321 -6.676 280 1HB SER 65 1HB SER 65 -3.437 5.151 -7.753 281 2HB SER 65 2HB SER 65 -1.914 5.714 -8.440 282 HG SER 65 HG SER 65 -2.361 2.954 -8.106 283 H GLN 66 H GLN 66 -0.355 6.774 -7.052 284 HA GLN 66 HA GLN 66 0.328 8.362 -5.336 285 1HB GLN 66 1HB GLN 66 -0.918 9.019 -7.525 286 2HB GLN 66 2HB GLN 66 -2.232 9.424 -6.428 287 1HG GLN 66 1HG GLN 66 0.560 10.532 -6.315 288 2HG GLN 66 2HG GLN 66 -0.854 11.366 -6.958 289 1HE2 GLN 66 1HE2 GLN 66 0.960 12.022 -4.742 290 H GLY 67 H GLY 67 -3.239 7.968 -5.259 291 1HA GLY 67 1HA GLY 67 -3.557 9.264 -2.774 292 2HA GLY 67 2HA GLY 67 -4.725 8.185 -3.523 293 H LEU 68 H LEU 68 -3.920 5.785 -3.432 294 HA LEU 68 HA LEU 68 -3.680 5.171 -0.647 295 1HB LEU 68 1HB LEU 68 -4.736 3.812 -2.789 296 2HB LEU 68 2HB LEU 68 -3.217 2.977 -2.547 297 HG LEU 68 HG LEU 68 -4.829 1.770 -1.326 298 1HD1 LEU 68 1HD1 LEU 68 -4.086 2.072 1.017 299 1HD2 LEU 68 1HD2 LEU 68 -6.578 3.463 -1.254 300 H ALA 69 H ALA 69 -1.690 4.948 -3.523 301 HA ALA 69 HA ALA 69 0.513 3.678 -2.591 302 1HB ALA 69 1HB ALA 69 1.861 4.955 -4.159 303 2HB ALA 69 2HB ALA 69 0.583 6.165 -4.294 304 3HB ALA 69 3HB ALA 69 0.314 4.528 -4.891 305 H GLU 70 H GLU 70 -0.101 7.171 -2.335 306 HA GLU 70 HA GLU 70 2.068 7.809 -0.700 307 1HB GLU 70 1HB GLU 70 -0.686 9.007 -0.954 308 2HB GLU 70 2HB GLU 70 0.523 9.671 0.131 309 1HG GLU 70 1HG GLU 70 1.858 9.434 -2.256 310 2HG GLU 70 2HG GLU 70 0.247 9.945 -2.727 311 H LYS 71 H LYS 71 -1.266 7.019 0.116 312 HA LYS 71 HA LYS 71 -1.258 7.129 2.822 313 1HB LYS 71 1HB LYS 71 -2.613 5.381 0.817 314 2HB LYS 71 2HB LYS 71 -2.784 4.975 2.506 315 1HG LYS 71 1HG LYS 71 -4.493 6.539 1.260 316 2HG LYS 71 2HG LYS 71 -4.089 6.774 2.961 317 1HD LYS 71 1HD LYS 71 -2.860 8.663 2.543 318 2HD LYS 71 2HD LYS 71 -2.429 8.153 0.909 319 1HE LYS 71 1HE LYS 71 -4.004 10.076 0.990 320 2HE LYS 71 2HE LYS 71 -4.620 8.682 0.103 321 1HZ LYS 71 1HZ LYS 71 -6.332 9.552 1.510 322 2HZ LYS 71 2HZ LYS 71 -5.343 9.469 2.871 323 3HZ LYS 71 3HZ LYS 71 -5.857 8.051 2.117 324 H ILE 72 H ILE 72 -0.388 4.294 0.873 325 HA ILE 72 HA ILE 72 0.434 2.689 3.026 326 HB ILE 72 HB ILE 72 1.493 2.556 0.220 327 2HG1 ILE 72 2HG1 ILE 72 -0.846 2.635 -0.064 328 1HG2 ILE 72 1HG2 ILE 72 2.176 0.434 0.670 329 1HD1 ILE 72 1HD1 ILE 72 -0.044 -0.239 0.169 330 H PHE 73 H PHE 73 2.139 4.893 0.884 331 HA PHE 73 HA PHE 73 4.744 4.433 1.693 332 1HB PHE 73 1HB PHE 73 4.257 5.931 -0.144 333 2HB PHE 73 2HB PHE 73 3.381 7.022 0.923 334 HD1 PHE 73 HD1 PHE 73 4.682 8.167 2.773 335 HD2 PHE 73 HD2 PHE 73 6.523 6.222 -0.528 336 HE1 PHE 73 HE1 PHE 73 6.742 9.451 3.172 337 HE2 PHE 73 HE2 PHE 73 8.588 7.501 -0.138 338 HZ PHE 73 HZ PHE 73 8.710 9.098 1.725 339 H TRP 74 H TRP 74 2.362 6.679 3.020 340 HA TRP 74 HA TRP 74 3.911 7.560 5.191 341 1HB TRP 74 1HB TRP 74 0.899 7.433 4.962 342 2HB TRP 74 2HB TRP 74 1.809 8.428 6.092 343 HD1 TRP 74 HD1 TRP 74 0.030 8.764 2.972 344 HE1 TRP 74 HE1 TRP 74 0.799 10.841 1.653 345 HE3 TRP 74 HE3 TRP 74 4.376 9.755 5.469 346 HZ2 TRP 74 HZ2 TRP 74 2.967 12.640 1.664 347 HZ3 TRP 74 HZ3 TRP 74 5.742 11.670 4.750 348 HH2 TRP 74 HH2 TRP 74 5.049 13.086 2.883 349 H SER 75 H SER 75 2.360 4.609 4.575 350 HA SER 75 HA SER 75 1.718 3.903 7.255 351 1HB SER 75 1HB SER 75 2.254 2.014 4.962 352 2HB SER 75 2HB SER 75 1.294 1.702 6.407 353 HG SER 75 HG SER 75 0.545 3.898 4.887 354 H LEU 76 H LEU 76 4.474 3.146 5.123 355 HA LEU 76 HA LEU 76 5.989 2.487 7.549 356 1HB LEU 76 1HB LEU 76 7.358 1.052 5.798 357 2HB LEU 76 2HB LEU 76 5.994 0.407 6.664 358 HG LEU 76 HG LEU 76 5.982 -0.240 4.320 359 1HD1 LEU 76 1HD1 LEU 76 3.837 1.112 5.691 360 1HD2 LEU 76 1HD2 LEU 76 7.078 1.952 3.619 361 H LYS 77 H LYS 77 6.158 3.721 4.250 362 HA LYS 77 HA LYS 77 8.852 4.355 4.151 363 1HB LYS 77 1HB LYS 77 6.513 5.759 2.866 364 2HB LYS 77 2HB LYS 77 8.193 6.048 2.442 365 1HG LYS 77 1HG LYS 77 6.560 3.564 2.024 366 2HG LYS 77 2HG LYS 77 7.350 4.577 0.814 367 1HD LYS 77 1HD LYS 77 8.744 2.894 2.885 368 2HD LYS 77 2HD LYS 77 8.569 2.489 1.179 369 1HE LYS 77 1HE LYS 77 10.031 4.148 0.498 370 2HE LYS 77 2HE LYS 77 9.826 5.076 1.981 371 1HZ LYS 77 1HZ LYS 77 11.990 3.900 1.788 372 2HZ LYS 77 2HZ LYS 77 11.166 2.436 1.881 373 3HZ LYS 77 3HZ LYS 77 11.123 3.510 3.181 374 H HIS 78 H HIS 78 6.147 6.179 5.475 375 HA HIS 78 HA HIS 78 8.054 7.814 6.954 376 1HB HIS 78 1HB HIS 78 7.653 9.178 5.008 377 2HB HIS 78 2HB HIS 78 5.916 8.948 5.152 378 HD1 HIS 78 HD1 HIS 78 4.721 10.223 7.126 379 HD2 HIS 78 HD2 HIS 78 8.714 11.222 6.534 380 HE1 HIS 78 HE1 HIS 78 5.074 12.369 8.385 381 HE2 HIS 78 HE2 HIS 78 7.535 12.850 8.162 Start of MODEL 21 1 H THR 23 H THR 23 -17.540 -3.584 0.691 2 HA THR 23 HA THR 23 -20.117 -2.892 0.666 3 HB THR 23 HB THR 23 -19.406 -2.501 3.549 4 HG1 THR 23 HG1 THR 23 -19.793 -4.887 2.320 5 1HG2 THR 23 1HG2 THR 23 -21.321 -1.287 2.779 6 H SER 24 H SER 24 -17.587 -1.774 2.929 7 HA SER 24 HA SER 24 -17.874 0.921 1.887 8 1HB SER 24 1HB SER 24 -15.947 0.059 4.035 9 2HB SER 24 2HB SER 24 -16.687 1.641 3.789 10 HG SER 24 HG SER 24 -18.743 0.228 4.112 11 H SER 25 H SER 25 -15.481 2.049 2.009 12 HA SER 25 HA SER 25 -14.143 0.924 -0.293 13 1HB SER 25 1HB SER 25 -13.321 3.430 1.155 14 2HB SER 25 2HB SER 25 -13.147 3.034 -0.555 15 HG SER 25 HG SER 25 -14.856 4.437 -0.397 16 H LEU 26 H LEU 26 -13.868 -0.634 2.013 17 HA LEU 26 HA LEU 26 -11.688 -0.264 3.634 18 1HB LEU 26 1HB LEU 26 -13.119 -2.620 2.566 19 2HB LEU 26 2HB LEU 26 -11.544 -2.917 3.273 20 HG LEU 26 HG LEU 26 -12.276 -1.953 5.385 21 1HD1 LEU 26 1HD1 LEU 26 -14.976 -1.611 4.095 22 1HD2 LEU 26 1HD2 LEU 26 -12.629 -4.294 5.177 23 H GLU 27 H GLU 27 -11.699 -0.987 0.260 24 HA GLU 27 HA GLU 27 -8.854 -1.690 0.325 25 1HB GLU 27 1HB GLU 27 -10.156 -1.756 -2.278 26 2HB GLU 27 2HB GLU 27 -9.243 -3.003 -1.439 27 1HG GLU 27 1HG GLU 27 -11.681 -2.735 -0.072 28 2HG GLU 27 2HG GLU 27 -12.053 -2.760 -1.790 29 H THR 28 H THR 28 -10.822 0.964 -0.192 30 HA THR 28 HA THR 28 -8.891 2.226 -2.021 31 HB THR 28 HB THR 28 -11.596 3.351 -1.346 32 HG1 THR 28 HG1 THR 28 -10.919 1.208 -3.061 33 1HG2 THR 28 1HG2 THR 28 -9.855 4.695 -2.568 34 H ILE 29 H ILE 29 -10.083 2.181 1.124 35 HA ILE 29 HA ILE 29 -9.723 4.808 1.959 36 HB ILE 29 HB ILE 29 -9.524 3.695 4.174 37 2HG1 ILE 29 2HG1 ILE 29 -8.556 1.588 3.263 38 1HG2 ILE 29 1HG2 ILE 29 -11.630 4.523 3.479 39 1HD1 ILE 29 1HD1 ILE 29 -9.439 1.585 5.522 40 H GLU 30 H GLU 30 -8.006 5.821 2.960 41 HA GLU 30 HA GLU 30 -5.409 4.984 2.270 42 1HB GLU 30 1HB GLU 30 -4.608 6.845 3.580 43 2HB GLU 30 2HB GLU 30 -6.050 7.364 2.717 44 1HG GLU 30 1HG GLU 30 -7.189 7.731 4.602 45 2HG GLU 30 2HG GLU 30 -6.588 6.258 5.365 46 H GLY 31 H GLY 31 -7.566 4.163 4.547 47 1HA GLY 31 1HA GLY 31 -5.571 2.985 6.352 48 2HA GLY 31 2HA GLY 31 -7.232 3.350 6.802 49 H VAL 32 H VAL 32 -6.314 1.912 3.800 50 HA VAL 32 HA VAL 32 -8.012 -0.260 3.898 51 HB VAL 32 HB VAL 32 -6.164 -1.334 2.383 52 1HG1 VAL 32 1HG1 VAL 32 -8.086 -0.549 1.338 53 1HG2 VAL 32 1HG2 VAL 32 -4.365 0.118 3.188 54 H GLY 33 H GLY 33 -6.504 -2.515 3.561 55 1HA GLY 33 1HA GLY 33 -4.580 -3.431 5.068 56 2HA GLY 33 2HA GLY 33 -5.724 -3.018 6.338 57 HA PRO 34 HA PRO 34 -8.701 -6.320 5.926 58 1HB PRO 34 1HB PRO 34 -9.646 -5.629 3.220 59 2HB PRO 34 2HB PRO 34 -10.562 -5.775 4.715 60 1HG PRO 34 1HG PRO 34 -9.519 -3.387 3.461 61 2HG PRO 34 2HG PRO 34 -10.612 -3.531 4.847 62 1HD PRO 34 1HD PRO 34 -8.062 -2.598 5.049 63 2HD PRO 34 2HD PRO 34 -8.881 -3.457 6.369 64 H LYS 35 H LYS 35 -7.771 -5.645 2.566 65 HA LYS 35 HA LYS 35 -6.031 -7.999 2.592 66 1HB LYS 35 1HB LYS 35 -7.890 -7.520 0.281 67 2HB LYS 35 2HB LYS 35 -6.944 -8.954 0.638 68 1HG LYS 35 1HG LYS 35 -8.922 -9.745 1.344 69 2HG LYS 35 2HG LYS 35 -8.502 -8.874 2.821 70 1HD LYS 35 1HD LYS 35 -10.770 -8.337 2.186 71 2HD LYS 35 2HD LYS 35 -9.746 -6.916 1.977 72 1HE LYS 35 1HE LYS 35 -9.600 -7.357 -0.410 73 2HE LYS 35 2HE LYS 35 -10.566 -8.816 -0.211 74 1HZ LYS 35 1HZ LYS 35 -12.429 -7.498 0.458 75 2HZ LYS 35 2HZ LYS 35 -11.850 -6.890 -1.008 76 3HZ LYS 35 3HZ LYS 35 -11.510 -6.082 0.429 77 H ARG 36 H ARG 36 -6.944 -4.904 1.392 78 HA ARG 36 HA ARG 36 -5.460 -4.532 -0.840 79 1HB ARG 36 1HB ARG 36 -7.010 -2.918 -0.005 80 2HB ARG 36 2HB ARG 36 -6.054 -2.706 1.446 81 1HG ARG 36 1HG ARG 36 -5.376 -0.899 0.317 82 2HG ARG 36 2HG ARG 36 -4.222 -2.064 -0.315 83 1HD ARG 36 1HD ARG 36 -6.220 -0.562 -1.702 84 2HD ARG 36 2HD ARG 36 -4.935 -1.577 -2.331 85 HE ARG 36 HE ARG 36 -6.844 -3.349 -1.553 86 1HH1 ARG 36 1HH1 ARG 36 -6.777 -0.612 -3.725 87 1HH2 ARG 36 1HH2 ARG 36 -8.502 -4.165 -2.890 88 H ARG 37 H ARG 37 -4.423 -3.731 2.454 89 HA ARG 37 HA ARG 37 -1.758 -3.160 1.760 90 1HB ARG 37 1HB ARG 37 -2.967 -3.989 4.400 91 2HB ARG 37 2HB ARG 37 -1.341 -3.348 4.204 92 1HG ARG 37 1HG ARG 37 -3.769 -1.832 3.295 93 2HG ARG 37 2HG ARG 37 -3.152 -1.743 4.946 94 1HD ARG 37 1HD ARG 37 -0.901 -1.157 3.900 95 2HD ARG 37 2HD ARG 37 -1.787 -0.930 2.396 96 HE ARG 37 HE ARG 37 -3.183 0.670 3.889 97 1HH1 ARG 37 1HH1 ARG 37 0.278 0.222 4.083 98 1HH2 ARG 37 1HH2 ARG 37 -2.783 2.803 4.532 99 H GLN 38 H GLN 38 -3.462 -6.036 2.491 100 HA GLN 38 HA GLN 38 -1.256 -7.733 3.001 101 1HB GLN 38 1HB GLN 38 -2.958 -9.100 3.515 102 2HB GLN 38 2HB GLN 38 -4.096 -7.936 2.849 103 1HG GLN 38 1HG GLN 38 -3.902 -8.948 0.663 104 2HG GLN 38 2HG GLN 38 -2.687 -10.071 1.270 105 1HE2 GLN 38 1HE2 GLN 38 -5.222 -10.670 0.032 106 H MET 39 H MET 39 -3.115 -6.901 0.138 107 HA MET 39 HA MET 39 -1.942 -8.617 -1.675 108 1HB MET 39 1HB MET 39 -2.927 -5.789 -2.108 109 2HB MET 39 2HB MET 39 -2.564 -6.932 -3.394 110 1HG MET 39 1HG MET 39 -4.292 -8.426 -2.574 111 2HG MET 39 2HG MET 39 -4.647 -7.312 -1.261 112 1HE MET 39 1HE MET 39 -3.931 -6.668 -5.126 113 2HE MET 39 2HE MET 39 -5.599 -6.678 -5.709 114 3HE MET 39 3HE MET 39 -4.904 -8.129 -4.983 115 H LEU 40 H LEU 40 -0.857 -5.521 -0.361 116 HA LEU 40 HA LEU 40 1.327 -5.074 -2.009 117 1HB LEU 40 1HB LEU 40 1.477 -4.641 0.938 118 2HB LEU 40 2HB LEU 40 2.055 -3.613 -0.366 119 HG LEU 40 HG LEU 40 -0.777 -4.010 0.541 120 1HD1 LEU 40 1HD1 LEU 40 0.989 -1.611 0.307 121 1HD2 LEU 40 1HD2 LEU 40 -1.034 -4.022 -1.763 122 H LEU 41 H LEU 41 1.210 -6.813 1.086 123 HA LEU 41 HA LEU 41 3.836 -7.741 1.044 124 1HB LEU 41 1HB LEU 41 1.318 -8.642 2.368 125 2HB LEU 41 2HB LEU 41 2.703 -9.721 2.393 126 HG LEU 41 HG LEU 41 2.208 -7.829 4.274 127 1HD1 LEU 41 1HD1 LEU 41 3.801 -9.658 4.453 128 1HD2 LEU 41 1HD2 LEU 41 4.262 -6.621 2.428 129 H LYS 42 H LYS 42 0.919 -8.899 -0.449 130 HA LYS 42 HA LYS 42 2.120 -11.305 -1.489 131 1HB LYS 42 1HB LYS 42 -0.509 -9.903 -1.865 132 2HB LYS 42 2HB LYS 42 -0.040 -11.191 -2.963 133 1HG LYS 42 1HG LYS 42 -1.499 -11.860 -1.039 134 2HG LYS 42 2HG LYS 42 -0.013 -12.790 -1.231 135 1HD LYS 42 1HD LYS 42 1.046 -11.544 0.538 136 2HD LYS 42 2HD LYS 42 -0.353 -10.477 0.670 137 1HE LYS 42 1HE LYS 42 -0.204 -12.293 2.415 138 2HE LYS 42 2HE LYS 42 -1.718 -12.221 1.515 139 1HZ LYS 42 1HZ LYS 42 0.521 -14.101 1.007 140 2HZ LYS 42 2HZ LYS 42 -0.906 -14.013 0.111 141 3HZ LYS 42 3HZ LYS 42 -0.957 -14.486 1.725 142 H TYR 43 H TYR 43 1.954 -8.039 -2.340 143 HA TYR 43 HA TYR 43 2.509 -8.432 -5.161 144 1HB TYR 43 1HB TYR 43 1.517 -6.294 -3.444 145 2HB TYR 43 2HB TYR 43 2.727 -5.717 -4.577 146 HD1 TYR 43 HD1 TYR 43 2.241 -5.545 -6.915 147 HD2 TYR 43 HD2 TYR 43 -0.571 -7.331 -4.272 148 HE1 TYR 43 HE1 TYR 43 0.541 -5.477 -8.691 149 HE2 TYR 43 HE2 TYR 43 -2.281 -7.269 -6.039 150 HH TYR 43 HH TYR 43 -2.778 -6.088 -8.089 151 H MET 44 H MET 44 4.162 -7.935 -2.234 152 HA MET 44 HA MET 44 6.642 -7.245 -3.665 153 1HB MET 44 1HB MET 44 7.417 -6.252 -1.587 154 2HB MET 44 2HB MET 44 5.876 -5.547 -2.065 155 1HG MET 44 1HG MET 44 4.843 -7.329 -0.517 156 2HG MET 44 2HG MET 44 6.461 -7.458 0.163 157 1HE MET 44 1HE MET 44 4.021 -3.563 0.050 158 2HE MET 44 2HE MET 44 3.814 -4.955 -1.011 159 3HE MET 44 3HE MET 44 5.216 -3.906 -1.201 160 H GLY 45 H GLY 45 5.200 -9.170 -1.135 161 1HA GLY 45 1HA GLY 45 5.730 -11.363 -0.586 162 2HA GLY 45 2HA GLY 45 7.229 -11.217 -1.498 163 H GLY 46 H GLY 46 5.906 -9.155 1.043 164 1HA GLY 46 1HA GLY 46 6.851 -9.713 3.350 165 2HA GLY 46 2HA GLY 46 8.401 -9.569 2.527 166 H LEU 47 H LEU 47 6.273 -7.939 4.397 167 HA LEU 47 HA LEU 47 5.840 -5.473 3.400 168 1HB LEU 47 1HB LEU 47 5.262 -6.170 5.664 169 2HB LEU 47 2HB LEU 47 6.936 -6.059 6.141 170 HG LEU 47 HG LEU 47 6.874 -3.618 5.642 171 1HD1 LEU 47 1HD1 LEU 47 4.709 -2.529 5.422 172 1HD2 LEU 47 1HD2 LEU 47 4.903 -4.652 7.667 173 H GLN 48 H GLN 48 8.898 -6.840 4.315 174 HA GLN 48 HA GLN 48 10.590 -4.747 4.557 175 1HB GLN 48 1HB GLN 48 11.277 -7.123 4.520 176 2HB GLN 48 2HB GLN 48 11.045 -7.142 2.782 177 1HG GLN 48 1HG GLN 48 13.010 -5.398 4.224 178 2HG GLN 48 2HG GLN 48 13.388 -6.929 3.442 179 1HE2 GLN 48 1HE2 GLN 48 14.348 -4.194 2.918 180 H GLY 49 H GLY 49 9.381 -6.143 1.569 181 1HA GLY 49 1HA GLY 49 10.719 -4.446 -0.234 182 2HA GLY 49 2HA GLY 49 9.239 -5.332 -0.576 183 H LEU 50 H LEU 50 7.837 -4.072 1.628 184 HA LEU 50 HA LEU 50 6.908 -1.758 0.211 185 1HB LEU 50 1HB LEU 50 5.313 -3.211 1.210 186 2HB LEU 50 2HB LEU 50 6.112 -3.135 2.758 187 HG LEU 50 HG LEU 50 5.333 -1.004 3.183 188 1HD1 LEU 50 1HD1 LEU 50 5.841 0.000 0.998 189 1HD2 LEU 50 1HD2 LEU 50 3.120 -2.422 1.712 190 H ARG 51 H ARG 51 8.702 -2.488 3.111 191 HA ARG 51 HA ARG 51 8.688 -0.016 4.366 192 1HB ARG 51 1HB ARG 51 11.121 -1.776 4.255 193 2HB ARG 51 2HB ARG 51 10.570 -0.757 5.583 194 1HG ARG 51 1HG ARG 51 8.487 -2.323 5.503 195 2HG ARG 51 2HG ARG 51 9.611 -3.427 4.722 196 1HD ARG 51 1HD ARG 51 9.910 -2.155 7.432 197 2HD ARG 51 2HD ARG 51 9.590 -3.853 7.090 198 HE ARG 51 HE ARG 51 12.122 -2.445 6.562 199 1HH1 ARG 51 1HH1 ARG 51 10.313 -5.408 7.049 200 1HH2 ARG 51 1HH2 ARG 51 13.974 -3.771 6.598 201 H ASN 52 H ASN 52 10.698 -1.276 1.816 202 HA ASN 52 HA ASN 52 12.146 1.243 1.573 203 1HB ASN 52 1HB ASN 52 13.231 0.053 -0.417 204 2HB ASN 52 2HB ASN 52 13.573 -0.592 1.188 205 1HD2 ASN 52 1HD2 ASN 52 12.472 -2.488 1.850 206 H ALA 53 H ALA 53 9.700 -0.618 -0.089 207 HA ALA 53 HA ALA 53 9.542 0.910 -2.436 208 1HB ALA 53 1HB ALA 53 7.779 -0.968 -1.002 209 2HB ALA 53 2HB ALA 53 8.259 -0.938 -2.694 210 3HB ALA 53 3HB ALA 53 6.986 0.141 -2.114 211 H SER 54 H SER 54 8.437 2.792 -2.935 212 HA SER 54 HA SER 54 7.219 4.159 -0.636 213 1HB SER 54 1HB SER 54 8.085 5.778 -2.945 214 2HB SER 54 2HB SER 54 8.282 6.068 -1.223 215 HG SER 54 HG SER 54 9.822 4.346 -2.862 216 H VAL 55 H VAL 55 6.225 6.225 -2.499 217 HA VAL 55 HA VAL 55 3.711 5.072 -2.990 218 HB VAL 55 HB VAL 55 5.002 7.652 -3.728 219 1HG1 VAL 55 1HG1 VAL 55 2.367 6.664 -4.802 220 1HG2 VAL 55 1HG2 VAL 55 2.384 7.075 -2.375 221 H GLU 56 H GLU 56 6.623 5.187 -4.818 222 HA GLU 56 HA GLU 56 5.431 4.972 -7.402 223 1HB GLU 56 1HB GLU 56 7.637 4.451 -8.178 224 2HB GLU 56 2HB GLU 56 7.754 5.769 -7.039 225 1HG GLU 56 1HG GLU 56 8.211 2.911 -6.277 226 2HG GLU 56 2HG GLU 56 9.478 3.946 -6.893 227 H GLU 57 H GLU 57 6.919 2.709 -5.164 228 HA GLU 57 HA GLU 57 6.410 0.399 -6.776 229 1HB GLU 57 1HB GLU 57 7.925 0.978 -4.509 230 2HB GLU 57 2HB GLU 57 6.643 -0.080 -3.931 231 1HG GLU 57 1HG GLU 57 8.646 -1.285 -4.556 232 2HG GLU 57 2HG GLU 57 7.258 -1.761 -5.524 233 H ILE 58 H ILE 58 5.154 1.711 -3.789 234 HA ILE 58 HA ILE 58 3.082 -0.064 -3.388 235 HB ILE 58 HB ILE 58 3.325 2.860 -2.683 236 2HG1 ILE 58 2HG1 ILE 58 4.913 1.001 -1.750 237 1HG2 ILE 58 1HG2 ILE 58 0.997 2.122 -2.779 238 1HD1 ILE 58 1HD1 ILE 58 4.877 3.215 -0.761 239 H ALA 59 H ALA 59 3.464 2.639 -5.546 240 HA ALA 59 HA ALA 59 0.654 2.803 -6.169 241 1HB ALA 59 1HB ALA 59 1.859 4.790 -6.466 242 2HB ALA 59 2HB ALA 59 1.469 4.223 -8.089 243 3HB ALA 59 3HB ALA 59 3.092 3.998 -7.443 244 H LYS 60 H LYS 60 1.856 0.149 -6.451 245 HA LYS 60 HA LYS 60 1.217 -0.280 -9.295 246 1HB LYS 60 1HB LYS 60 3.553 -1.219 -7.732 247 2HB LYS 60 2HB LYS 60 2.838 -2.364 -8.856 248 1HG LYS 60 1HG LYS 60 4.582 -1.290 -10.013 249 2HG LYS 60 2HG LYS 60 3.085 -0.587 -10.628 250 1HD LYS 60 1HD LYS 60 3.383 1.306 -9.075 251 2HD LYS 60 2HD LYS 60 4.925 0.613 -8.570 252 1HE LYS 60 1HE LYS 60 5.708 0.758 -10.903 253 2HE LYS 60 2HE LYS 60 4.191 1.540 -11.341 254 1HZ LYS 60 1HZ LYS 60 6.382 2.562 -9.663 255 2HZ LYS 60 2HZ LYS 60 4.823 3.185 -9.500 256 3HZ LYS 60 3HZ LYS 60 5.627 3.298 -10.983 257 H VAL 61 H VAL 61 -0.471 -0.345 -7.024 258 HA VAL 61 HA VAL 61 -1.194 -3.183 -7.069 259 HB VAL 61 HB VAL 61 -1.982 -2.176 -4.541 260 1HG1 VAL 61 1HG1 VAL 61 0.244 -4.077 -5.281 261 1HG2 VAL 61 1HG2 VAL 61 0.458 -1.861 -3.688 262 HA PRO 62 HA PRO 62 -5.443 -2.214 -7.719 263 1HB PRO 62 1HB PRO 62 -6.797 -2.850 -5.418 264 2HB PRO 62 2HB PRO 62 -6.223 -4.050 -6.584 265 1HG PRO 62 1HG PRO 62 -4.900 -3.089 -4.063 266 2HG PRO 62 2HG PRO 62 -5.158 -4.756 -4.620 267 1HD PRO 62 1HD PRO 62 -2.816 -3.628 -4.960 268 2HD PRO 62 2HD PRO 62 -3.519 -4.579 -6.284 269 H GLY 63 H GLY 63 -6.069 -0.165 -7.938 270 1HA GLY 63 1HA GLY 63 -6.852 1.927 -7.398 271 2HA GLY 63 2HA GLY 63 -7.047 1.351 -5.746 272 H ILE 64 H ILE 64 -4.270 0.543 -5.521 273 HA ILE 64 HA ILE 64 -3.171 2.954 -4.563 274 HB ILE 64 HB ILE 64 -1.440 0.601 -5.098 275 2HG1 ILE 64 2HG1 ILE 64 -3.276 -0.660 -4.428 276 1HG2 ILE 64 1HG2 ILE 64 -0.621 2.583 -3.909 277 1HD1 ILE 64 1HD1 ILE 64 -1.395 -1.015 -2.828 278 H SER 65 H SER 65 -3.302 4.207 -6.467 279 HA SER 65 HA SER 65 -1.331 3.594 -8.546 280 1HB SER 65 1HB SER 65 -3.945 4.824 -8.485 281 2HB SER 65 2HB SER 65 -2.774 5.895 -9.247 282 HG SER 65 HG SER 65 -3.357 4.662 -10.905 283 H GLN 66 H GLN 66 -2.363 5.998 -6.214 284 HA GLN 66 HA GLN 66 0.310 6.986 -5.938 285 1HB GLN 66 1HB GLN 66 -0.755 8.157 -7.992 286 2HB GLN 66 2HB GLN 66 -1.712 9.031 -6.804 287 1HG GLN 66 1HG GLN 66 1.291 8.969 -6.931 288 2HG GLN 66 2HG GLN 66 0.261 10.282 -7.494 289 1HE2 GLN 66 1HE2 GLN 66 2.344 10.268 -5.433 290 H GLY 67 H GLY 67 -3.108 7.901 -5.394 291 1HA GLY 67 1HA GLY 67 -2.674 9.207 -2.950 292 2HA GLY 67 2HA GLY 67 -4.195 8.469 -3.436 293 H LEU 68 H LEU 68 -4.080 5.957 -3.317 294 HA LEU 68 HA LEU 68 -3.866 5.142 -0.688 295 1HB LEU 68 1HB LEU 68 -4.863 3.962 -2.808 296 2HB LEU 68 2HB LEU 68 -3.272 3.266 -2.955 297 HG LEU 68 HG LEU 68 -4.482 1.625 -1.849 298 1HD1 LEU 68 1HD1 LEU 68 -3.246 3.160 0.401 299 1HD2 LEU 68 1HD2 LEU 68 -5.967 2.015 0.041 300 H ALA 69 H ALA 69 -1.617 4.968 -3.327 301 HA ALA 69 HA ALA 69 0.475 3.641 -2.178 302 1HB ALA 69 1HB ALA 69 0.407 4.425 -4.529 303 2HB ALA 69 2HB ALA 69 1.945 4.747 -3.730 304 3HB ALA 69 3HB ALA 69 0.778 6.051 -3.962 305 H GLU 70 H GLU 70 -0.159 7.137 -2.020 306 HA GLU 70 HA GLU 70 1.960 7.761 -0.279 307 1HB GLU 70 1HB GLU 70 -0.747 9.104 -0.407 308 2HB GLU 70 2HB GLU 70 0.737 9.808 0.219 309 1HG GLU 70 1HG GLU 70 1.616 9.385 -2.188 310 2HG GLU 70 2HG GLU 70 -0.095 9.300 -2.585 311 H LYS 71 H LYS 71 -1.409 6.965 0.245 312 HA LYS 71 HA LYS 71 -1.673 7.191 2.948 313 1HB LYS 71 1HB LYS 71 -2.782 5.023 1.165 314 2HB LYS 71 2HB LYS 71 -3.426 5.500 2.714 315 1HG LYS 71 1HG LYS 71 -3.557 6.905 0.103 316 2HG LYS 71 2HG LYS 71 -4.833 6.606 1.278 317 1HD LYS 71 1HD LYS 71 -3.833 8.256 2.786 318 2HD LYS 71 2HD LYS 71 -2.554 8.554 1.606 319 1HE LYS 71 1HE LYS 71 -4.243 9.287 -0.018 320 2HE LYS 71 2HE LYS 71 -5.500 9.034 1.196 321 1HZ LYS 71 1HZ LYS 71 -4.688 11.376 0.947 322 2HZ LYS 71 2HZ LYS 71 -3.215 10.875 1.605 323 3HZ LYS 71 3HZ LYS 71 -4.626 10.762 2.520 324 H ILE 72 H ILE 72 -0.377 4.532 1.073 325 HA ILE 72 HA ILE 72 0.197 2.886 3.350 326 HB ILE 72 HB ILE 72 1.198 2.686 0.516 327 2HG1 ILE 72 2HG1 ILE 72 -1.228 2.558 0.729 328 1HG2 ILE 72 1HG2 ILE 72 1.129 0.502 2.576 329 1HD1 ILE 72 1HD1 ILE 72 -1.483 0.053 0.030 330 H PHE 73 H PHE 73 1.952 5.015 1.229 331 HA PHE 73 HA PHE 73 4.564 4.492 1.879 332 1HB PHE 73 1HB PHE 73 3.856 6.135 0.180 333 2HB PHE 73 2HB PHE 73 3.319 7.220 1.455 334 HD1 PHE 73 HD1 PHE 73 4.723 8.922 2.018 335 HD2 PHE 73 HD2 PHE 73 6.385 5.316 0.508 336 HE1 PHE 73 HE1 PHE 73 6.968 9.911 2.139 337 HE2 PHE 73 HE2 PHE 73 8.641 6.298 0.624 338 HZ PHE 73 HZ PHE 73 8.930 8.601 1.445 339 H TRP 74 H TRP 74 2.602 7.015 3.379 340 HA TRP 74 HA TRP 74 4.404 7.555 5.451 341 1HB TRP 74 1HB TRP 74 1.438 8.071 5.507 342 2HB TRP 74 2HB TRP 74 2.699 8.955 6.358 343 HD1 TRP 74 HD1 TRP 74 0.629 9.211 3.379 344 HE1 TRP 74 HE1 TRP 74 1.584 10.926 1.712 345 HE3 TRP 74 HE3 TRP 74 5.296 9.763 5.371 346 HZ2 TRP 74 HZ2 TRP 74 4.003 12.322 1.302 347 HZ3 TRP 74 HZ3 TRP 74 6.871 11.300 4.286 348 HH2 TRP 74 HH2 TRP 74 6.239 12.551 2.291 349 H SER 75 H SER 75 2.412 4.874 5.088 350 HA SER 75 HA SER 75 1.639 4.554 7.811 351 1HB SER 75 1HB SER 75 1.787 2.196 6.022 352 2HB SER 75 2HB SER 75 0.505 2.701 7.121 353 HG SER 75 HG SER 75 0.455 4.576 5.425 354 H LEU 76 H LEU 76 3.702 2.380 5.928 355 HA LEU 76 HA LEU 76 4.612 0.904 8.043 356 1HB LEU 76 1HB LEU 76 6.752 0.861 6.354 357 2HB LEU 76 2HB LEU 76 5.360 -0.194 6.297 358 HG LEU 76 HG LEU 76 5.157 2.392 4.874 359 1HD1 LEU 76 1HD1 LEU 76 7.402 1.653 4.319 360 1HD2 LEU 76 1HD2 LEU 76 3.285 0.881 4.933 361 H LYS 77 H LYS 77 6.935 2.850 6.324 362 HA LYS 77 HA LYS 77 8.008 3.903 8.827 363 1HB LYS 77 1HB LYS 77 9.475 2.075 6.937 364 2HB LYS 77 2HB LYS 77 10.302 3.083 8.122 365 1HG LYS 77 1HG LYS 77 10.153 1.215 9.373 366 2HG LYS 77 2HG LYS 77 8.548 1.857 9.733 367 1HD LYS 77 1HD LYS 77 7.766 0.522 7.693 368 2HD LYS 77 2HD LYS 77 9.312 -0.317 7.808 369 1HE LYS 77 1HE LYS 77 7.204 -0.149 9.960 370 2HE LYS 77 2HE LYS 77 7.593 -1.561 8.977 371 1HZ LYS 77 1HZ LYS 77 9.513 -0.236 10.802 372 2HZ LYS 77 2HZ LYS 77 9.732 -1.701 9.986 373 3HZ LYS 77 3HZ LYS 77 8.591 -1.585 11.223 374 H HIS 78 H HIS 78 6.799 5.215 6.561 375 HA HIS 78 HA HIS 78 8.636 7.297 6.219 376 1HB HIS 78 1HB HIS 78 8.929 7.079 3.701 377 2HB HIS 78 2HB HIS 78 9.900 5.999 4.692 378 HD1 HIS 78 HD1 HIS 78 6.345 5.592 3.395 379 HD2 HIS 78 HD2 HIS 78 10.045 3.713 3.291 380 HE1 HIS 78 HE1 HIS 78 5.985 3.457 2.107 381 HE2 HIS 78 HE2 HIS 78 8.282 2.466 1.855 Start of MODEL 22 1 H THR 23 HN THR 23 -18.408 -7.532 -3.564 2 HA THR 23 HA THR 23 -17.615 -5.975 -5.944 3 HB THR 23 HB THR 23 -18.961 -4.792 -3.527 4 HG1 THR 23 HG1 THR 23 -20.079 -6.564 -5.107 5 1HG2 THR 23 HG21 THR 23 -18.778 -3.916 -6.411 6 2HG2 THR 23 HG22 THR 23 -17.855 -3.246 -5.066 7 3HG2 THR 23 HG23 THR 23 -19.608 -3.046 -5.123 8 H SER 24 HN SER 24 -15.421 -6.777 -5.210 9 HA SER 24 HA SER 24 -14.220 -6.101 -2.823 10 1HB SER 24 HB2 SER 24 -12.395 -5.660 -5.020 11 2HB SER 24 HB1 SER 24 -12.413 -6.960 -3.829 12 HG SER 24 HG SER 24 -13.946 -8.042 -5.116 13 H SER 25 HN SER 25 -12.869 -4.327 -2.207 14 HA SER 25 HA SER 25 -13.783 -1.789 -3.360 15 1HB SER 25 HB2 SER 25 -12.267 -2.084 -0.782 16 2HB SER 25 HB1 SER 25 -13.396 -0.817 -1.262 17 HG SER 25 HG SER 25 -14.794 -1.956 -0.180 18 H LEU 26 HN LEU 26 -11.606 -3.515 -4.473 19 HA LEU 26 HA LEU 26 -9.072 -2.607 -3.850 20 1HB LEU 26 HB2 LEU 26 -10.302 -3.691 -6.340 21 2HB LEU 26 HB1 LEU 26 -8.679 -3.024 -6.417 22 HG LEU 26 HG LEU 26 -8.378 -5.331 -6.090 23 1HD1 LEU 26 HD11 LEU 26 -7.019 -3.902 -4.607 24 2HD1 LEU 26 HD12 LEU 26 -7.312 -5.510 -3.943 25 3HD1 LEU 26 HD13 LEU 26 -8.222 -4.127 -3.337 26 1HD2 LEU 26 HD21 LEU 26 -10.622 -5.968 -5.509 27 2HD2 LEU 26 HD22 LEU 26 -10.489 -5.154 -3.949 28 3HD2 LEU 26 HD23 LEU 26 -9.515 -6.585 -4.282 29 H GLU 27 HN GLU 27 -11.564 -1.040 -5.725 30 HA GLU 27 HA GLU 27 -9.750 1.071 -6.584 31 1HB GLU 27 HB2 GLU 27 -11.729 1.970 -7.743 32 2HB GLU 27 HB1 GLU 27 -11.449 0.283 -8.148 33 1HG GLU 27 HG2 GLU 27 -13.150 -0.271 -6.350 34 2HG GLU 27 HG1 GLU 27 -13.554 1.442 -6.369 35 H THR 28 HN THR 28 -11.683 0.358 -3.941 36 HA THR 28 HA THR 28 -11.622 3.151 -3.045 37 HB THR 28 HB THR 28 -13.840 1.517 -2.018 38 HG1 THR 28 HG1 THR 28 -13.493 2.094 -4.763 39 1HG2 THR 28 HG21 THR 28 -13.737 3.831 -1.457 40 2HG2 THR 28 HG22 THR 28 -15.071 3.635 -2.592 41 3HG2 THR 28 HG23 THR 28 -13.530 4.292 -3.143 42 H ILE 29 HN ILE 29 -9.960 0.713 -2.582 43 HA ILE 29 HA ILE 29 -10.339 -0.499 -0.147 44 HB ILE 29 HB ILE 29 -7.588 0.410 -0.873 45 1HG1 ILE 29 HG12 ILE 29 -9.111 -1.830 -2.219 46 2HG1 ILE 29 HG11 ILE 29 -8.598 -0.329 -2.980 47 1HG2 ILE 29 HG21 ILE 29 -8.470 -2.287 0.085 48 2HG2 ILE 29 HG22 ILE 29 -8.188 -0.946 1.193 49 3HG2 ILE 29 HG23 ILE 29 -6.873 -1.543 0.185 50 1HD1 ILE 29 HD11 ILE 29 -7.064 -1.982 -3.651 51 2HD1 ILE 29 HD12 ILE 29 -6.872 -2.577 -2.002 52 3HD1 ILE 29 HD13 ILE 29 -6.236 -0.994 -2.449 53 H GLU 30 HN GLU 30 -11.338 1.094 1.136 54 HA GLU 30 HA GLU 30 -11.332 3.070 2.431 55 1HB GLU 30 HB2 GLU 30 -10.213 2.359 4.565 56 2HB GLU 30 HB1 GLU 30 -11.343 1.189 3.886 57 1HG GLU 30 HG2 GLU 30 -9.334 0.078 2.811 58 2HG GLU 30 HG1 GLU 30 -8.344 1.116 3.838 59 H GLY 31 HN GLY 31 -9.985 4.387 0.811 60 1HA GLY 31 HA2 GLY 31 -8.530 6.266 1.510 61 2HA GLY 31 HA1 GLY 31 -7.441 5.058 2.153 62 H VAL 32 HN VAL 32 -8.359 3.641 -0.630 63 HA VAL 32 HA VAL 32 -5.986 4.638 -1.914 64 HB VAL 32 HB VAL 32 -6.408 2.970 -3.650 65 1HG1 VAL 32 HG11 VAL 32 -6.586 1.894 -0.854 66 2HG1 VAL 32 HG12 VAL 32 -5.115 2.388 -1.691 67 3HG1 VAL 32 HG13 VAL 32 -6.035 0.998 -2.270 68 1HG2 VAL 32 HG21 VAL 32 -8.797 2.946 -3.698 69 2HG2 VAL 32 HG22 VAL 32 -8.860 2.340 -2.045 70 3HG2 VAL 32 HG23 VAL 32 -8.214 1.324 -3.331 71 H GLY 33 HN GLY 33 -5.891 6.189 -3.153 72 1HA GLY 33 HA2 GLY 33 -6.730 7.125 -5.341 73 2HA GLY 33 HA1 GLY 33 -8.302 7.193 -4.530 74 HA PRO 34 HA PRO 34 -7.556 10.738 -1.961 75 1HB PRO 34 HB2 PRO 34 -6.274 9.063 0.141 76 2HB PRO 34 HB1 PRO 34 -7.546 10.252 0.299 77 1HG PRO 34 HG2 PRO 34 -7.990 7.609 0.375 78 2HG PRO 34 HG1 PRO 34 -9.174 8.773 -0.229 79 1HD PRO 34 HD2 PRO 34 -7.596 6.803 -1.690 80 2HD PRO 34 HD1 PRO 34 -9.051 7.665 -2.201 81 H LYS 35 HN LYS 35 -4.989 8.334 -1.753 82 HA LYS 35 HA LYS 35 -2.903 9.604 -2.913 83 1HB LYS 35 HB2 LYS 35 -1.709 10.495 -0.790 84 2HB LYS 35 HB1 LYS 35 -2.927 11.509 -1.552 85 1HG LYS 35 HG2 LYS 35 -4.385 11.292 0.172 86 2HG LYS 35 HG1 LYS 35 -3.843 9.661 0.567 87 1HD LYS 35 HD2 LYS 35 -3.136 10.991 2.362 88 2HD LYS 35 HD1 LYS 35 -1.692 10.745 1.378 89 1HE LYS 35 HE2 LYS 35 -2.105 12.953 0.320 90 2HE LYS 35 HE1 LYS 35 -3.460 13.191 1.420 91 1HZ LYS 35 HZ1 LYS 35 -1.796 12.855 3.258 92 2HZ LYS 35 HZ2 LYS 35 -1.652 14.288 2.380 93 3HZ LYS 35 HZ3 LYS 35 -0.588 13.011 2.088 94 H ARG 36 HN ARG 36 -4.143 7.588 -0.465 95 HA ARG 36 HA ARG 36 -2.057 6.466 0.790 96 1HB ARG 36 HB2 ARG 36 -3.601 5.033 1.492 97 2HB ARG 36 HB1 ARG 36 -4.712 5.956 0.531 98 1HG ARG 36 HG2 ARG 36 -5.209 4.096 -0.532 99 2HG ARG 36 HG1 ARG 36 -3.598 4.134 -1.245 100 1HD ARG 36 HD2 ARG 36 -3.546 2.085 -0.263 101 2HD ARG 36 HD1 ARG 36 -2.948 3.072 1.064 102 HE ARG 36 HE ARG 36 -5.222 3.031 1.964 103 1HH1 ARG 36 HH11 ARG 36 -4.299 0.559 -0.337 104 2HH1 ARG 36 HH12 ARG 36 -5.545 -0.538 0.145 105 1HH2 ARG 36 HH21 ARG 36 -6.879 1.608 2.589 106 2HH2 ARG 36 HH22 ARG 36 -7.014 0.061 1.826 107 H ARG 37 HN ARG 37 -3.150 5.730 -2.487 108 HA ARG 37 HA ARG 37 -1.350 3.569 -2.865 109 1HB ARG 37 HB2 ARG 37 -2.801 5.338 -4.840 110 2HB ARG 37 HB1 ARG 37 -1.844 3.946 -5.307 111 1HG ARG 37 HG2 ARG 37 -4.190 3.777 -3.426 112 2HG ARG 37 HG1 ARG 37 -4.311 3.552 -5.172 113 1HD ARG 37 HD2 ARG 37 -2.492 1.971 -3.381 114 2HD ARG 37 HD1 ARG 37 -4.091 1.430 -3.896 115 HE ARG 37 HE ARG 37 -1.691 1.285 -5.386 116 1HH1 ARG 37 HH11 ARG 37 -5.106 1.928 -5.740 117 2HH1 ARG 37 HH12 ARG 37 -5.155 1.479 -7.411 118 1HH2 ARG 37 HH21 ARG 37 -1.764 0.650 -7.599 119 2HH2 ARG 37 HH22 ARG 37 -3.265 0.733 -8.458 120 H GLN 38 HN GLN 38 -1.278 7.001 -3.651 121 HA GLN 38 HA GLN 38 1.165 7.060 -5.002 122 1HB GLN 38 HB2 GLN 38 0.875 9.311 -5.033 123 2HB GLN 38 HB1 GLN 38 -0.712 8.928 -4.386 124 1HG GLN 38 HG2 GLN 38 0.292 9.181 -2.095 125 2HG GLN 38 HG1 GLN 38 1.717 9.841 -2.892 126 1HE2 GLN 38 HE21 GLN 38 -1.475 10.358 -4.156 127 2HE2 GLN 38 HE22 GLN 38 -1.581 12.037 -3.756 128 H MET 39 HN MET 39 0.359 7.199 -1.589 129 HA MET 39 HA MET 39 2.668 7.973 -0.389 130 1HB MET 39 HB2 MET 39 0.880 5.659 0.374 131 2HB MET 39 HB1 MET 39 2.141 6.299 1.416 132 1HG MET 39 HG2 MET 39 1.035 8.420 1.546 133 2HG MET 39 HG1 MET 39 -0.167 7.909 0.364 134 1HE MET 39 HE1 MET 39 -2.237 8.226 3.600 135 2HE MET 39 HE2 MET 39 -1.454 9.141 2.310 136 3HE MET 39 HE3 MET 39 -0.627 8.897 3.849 137 H LEU 40 HN LEU 40 1.965 4.581 -1.210 138 HA LEU 40 HA LEU 40 4.455 3.533 -0.663 139 1HB LEU 40 HB2 LEU 40 2.721 2.741 -2.997 140 2HB LEU 40 HB1 LEU 40 3.914 1.742 -2.188 141 HG LEU 40 HG LEU 40 1.976 0.930 -1.284 142 1HD1 LEU 40 HD11 LEU 40 2.363 3.206 0.624 143 2HD1 LEU 40 HD12 LEU 40 3.571 1.934 0.443 144 3HD1 LEU 40 HD13 LEU 40 1.938 1.532 0.972 145 1HD2 LEU 40 HD21 LEU 40 0.607 2.719 -2.450 146 2HD2 LEU 40 HD22 LEU 40 0.798 3.669 -0.979 147 3HD2 LEU 40 HD23 LEU 40 -0.026 2.114 -0.923 148 H LEU 41 HN LEU 41 3.215 4.845 -3.689 149 HA LEU 41 HA LEU 41 5.505 4.534 -5.237 150 1HB LEU 41 HB2 LEU 41 3.118 6.317 -5.348 151 2HB LEU 41 HB1 LEU 41 4.465 6.643 -6.421 152 HG LEU 41 HG LEU 41 2.507 5.129 -7.234 153 1HD1 LEU 41 HD11 LEU 41 5.348 4.193 -7.606 154 2HD1 LEU 41 HD12 LEU 41 4.675 5.618 -8.401 155 3HD1 LEU 41 HD13 LEU 41 4.001 4.021 -8.729 156 1HD2 LEU 41 HD21 LEU 41 2.908 2.756 -6.809 157 2HD2 LEU 41 HD22 LEU 41 2.560 3.623 -5.312 158 3HD2 LEU 41 HD23 LEU 41 4.221 3.179 -5.705 159 H LYS 42 HN LYS 42 4.677 6.946 -2.885 160 HA LYS 42 HA LYS 42 6.853 8.691 -3.653 161 1HB LYS 42 HB2 LYS 42 5.058 8.762 -1.213 162 2HB LYS 42 HB1 LYS 42 6.139 10.046 -1.740 163 1HG LYS 42 HG2 LYS 42 3.439 9.484 -2.540 164 2HG LYS 42 HG1 LYS 42 4.438 10.903 -2.862 165 1HD LYS 42 HD2 LYS 42 5.518 9.587 -4.716 166 2HD LYS 42 HD1 LYS 42 4.286 8.352 -4.459 167 1HE LYS 42 HE2 LYS 42 2.539 9.920 -4.988 168 2HE LYS 42 HE1 LYS 42 3.705 11.233 -5.126 169 1HZ LYS 42 HZ1 LYS 42 2.973 10.252 -7.275 170 2HZ LYS 42 HZ2 LYS 42 3.746 8.819 -6.841 171 3HZ LYS 42 HZ3 LYS 42 4.647 10.230 -7.043 172 H TYR 43 HN TYR 43 6.150 6.159 -1.440 173 HA TYR 43 HA TYR 43 8.441 6.572 0.232 174 1HB TYR 43 HB2 TYR 43 6.057 5.066 0.337 175 2HB TYR 43 HB1 TYR 43 7.374 3.898 0.385 176 HD1 TYR 43 HD1 TYR 43 8.906 3.840 2.264 177 HD2 TYR 43 HD2 TYR 43 5.738 6.680 2.121 178 HE1 TYR 43 HE1 TYR 43 9.238 4.320 4.651 179 HE2 TYR 43 HE2 TYR 43 6.064 7.164 4.515 180 HH TYR 43 HH TYR 43 7.009 6.275 6.470 181 H MET 44 HN MET 44 7.687 4.801 -2.660 182 HA MET 44 HA MET 44 10.380 3.579 -2.568 183 1HB MET 44 HB2 MET 44 9.539 1.768 -3.902 184 2HB MET 44 HB1 MET 44 8.466 1.985 -2.526 185 1HG MET 44 HG2 MET 44 7.018 3.377 -4.053 186 2HG MET 44 HG1 MET 44 8.004 2.766 -5.378 187 1HE MET 44 HE1 MET 44 7.268 0.581 -2.197 188 2HE MET 44 HE2 MET 44 5.644 -0.002 -2.556 189 3HE MET 44 HE3 MET 44 5.920 1.715 -2.260 190 H GLY 45 HN GLY 45 7.975 5.137 -4.633 191 1HA GLY 45 HA2 GLY 45 8.406 6.612 -6.382 192 2HA GLY 45 HA1 GLY 45 10.101 6.144 -6.324 193 H GLY 46 HN GLY 46 7.132 4.213 -6.714 194 1HA GLY 46 HA2 GLY 46 7.001 3.781 -9.355 195 2HA GLY 46 HA1 GLY 46 8.387 2.802 -8.901 196 H LEU 47 HN LEU 47 5.052 2.852 -9.241 197 HA LEU 47 HA LEU 47 4.015 1.270 -7.267 198 1HB LEU 47 HB2 LEU 47 2.728 2.167 -9.157 199 2HB LEU 47 HB1 LEU 47 3.474 1.000 -10.221 200 HG LEU 47 HG LEU 47 2.411 -0.830 -8.997 201 1HD1 LEU 47 HD11 LEU 47 2.339 0.323 -6.806 202 2HD1 LEU 47 HD12 LEU 47 0.809 -0.427 -7.257 203 3HD1 LEU 47 HD13 LEU 47 1.017 1.319 -7.412 204 1HD2 LEU 47 HD21 LEU 47 0.438 1.307 -9.787 205 2HD2 LEU 47 HD22 LEU 47 0.153 -0.433 -9.739 206 3HD2 LEU 47 HD23 LEU 47 1.282 0.243 -10.911 207 H GLN 48 HN GLN 48 5.823 0.297 -10.102 208 HA GLN 48 HA GLN 48 5.737 -2.429 -9.974 209 1HB GLN 48 HB2 GLN 48 7.011 -1.134 -11.658 210 2HB GLN 48 HB1 GLN 48 8.210 -0.754 -10.431 211 1HG GLN 48 HG2 GLN 48 9.021 -2.535 -11.816 212 2HG GLN 48 HG1 GLN 48 8.700 -3.146 -10.195 213 1HE2 GLN 48 HE21 GLN 48 8.505 -5.264 -10.905 214 2HE2 GLN 48 HE22 GLN 48 7.138 -5.813 -11.818 215 H GLY 49 HN GLY 49 7.912 -0.273 -8.217 216 1HA GLY 49 HA2 GLY 49 9.268 -2.224 -6.735 217 2HA GLY 49 HA1 GLY 49 9.085 -0.536 -6.270 218 H LEU 50 HN LEU 50 6.126 -0.859 -6.397 219 HA LEU 50 HA LEU 50 5.798 -1.679 -3.662 220 1HB LEU 50 HB2 LEU 50 4.579 0.238 -4.181 221 2HB LEU 50 HB1 LEU 50 4.046 -0.397 -5.720 222 HG LEU 50 HG LEU 50 2.489 -1.859 -4.632 223 1HD1 LEU 50 HD11 LEU 50 3.896 -2.308 -2.628 224 2HD1 LEU 50 HD12 LEU 50 2.203 -1.978 -2.257 225 3HD1 LEU 50 HD13 LEU 50 3.423 -0.728 -2.008 226 1HD2 LEU 50 HD21 LEU 50 2.362 0.965 -3.598 227 2HD2 LEU 50 HD22 LEU 50 1.018 -0.173 -3.544 228 3HD2 LEU 50 HD23 LEU 50 1.669 0.354 -5.095 229 H ARG 51 HN ARG 51 4.441 -2.677 -6.781 230 HA ARG 51 HA ARG 51 2.736 -4.632 -5.999 231 1HB ARG 51 HB2 ARG 51 4.614 -4.937 -8.327 232 2HB ARG 51 HB1 ARG 51 3.031 -5.677 -8.137 233 1HG ARG 51 HG2 ARG 51 2.458 -3.043 -7.869 234 2HG ARG 51 HG1 ARG 51 3.759 -3.011 -9.049 235 1HD ARG 51 HD2 ARG 51 1.060 -4.262 -9.223 236 2HD ARG 51 HD1 ARG 51 1.905 -3.261 -10.404 237 HE ARG 51 HE ARG 51 2.063 -6.117 -10.096 238 1HH1 ARG 51 HH11 ARG 51 3.682 -3.269 -11.313 239 2HH1 ARG 51 HH12 ARG 51 4.652 -4.151 -12.445 240 1HH2 ARG 51 HH21 ARG 51 3.329 -7.280 -11.572 241 2HH2 ARG 51 HH22 ARG 51 4.446 -6.441 -12.595 242 H ASN 52 HN ASN 52 6.135 -5.197 -6.755 243 HA ASN 52 HA ASN 52 6.220 -7.871 -5.913 244 1HB ASN 52 HB2 ASN 52 8.636 -7.591 -5.709 245 2HB ASN 52 HB1 ASN 52 8.069 -6.750 -7.152 246 1HD2 ASN 52 HD21 ASN 52 7.898 -4.501 -7.112 247 2HD2 ASN 52 HD22 ASN 52 8.766 -3.554 -5.963 248 H ALA 53 HN ALA 53 6.492 -4.850 -4.185 249 HA ALA 53 HA ALA 53 7.260 -5.863 -1.678 250 1HB ALA 53 HB1 ALA 53 5.591 -3.537 -1.442 251 2HB ALA 53 HB2 ALA 53 6.705 -3.351 -2.797 252 3HB ALA 53 HB3 ALA 53 7.327 -3.693 -1.183 253 H SER 54 HN SER 54 6.096 -7.068 -0.282 254 HA SER 54 HA SER 54 3.204 -7.187 -0.693 255 1HB SER 54 HB2 SER 54 4.802 -9.063 1.041 256 2HB SER 54 HB1 SER 54 3.251 -9.349 0.247 257 HG SER 54 HG SER 54 5.784 -9.719 -0.689 258 H VAL 55 HN VAL 55 2.359 -7.919 1.806 259 HA VAL 55 HA VAL 55 2.127 -5.567 3.186 260 HB VAL 55 HB VAL 55 2.057 -8.422 4.060 261 1HG1 VAL 55 HG11 VAL 55 1.929 -6.035 5.889 262 2HG1 VAL 55 HG12 VAL 55 3.111 -7.343 5.925 263 3HG1 VAL 55 HG13 VAL 55 1.424 -7.663 6.338 264 1HG2 VAL 55 HG21 VAL 55 0.107 -6.168 3.795 265 2HG2 VAL 55 HG22 VAL 55 -0.264 -7.579 4.784 266 3HG2 VAL 55 HG23 VAL 55 0.059 -7.772 3.061 267 H GLU 56 HN GLU 56 4.631 -7.957 3.264 268 HA GLU 56 HA GLU 56 6.134 -7.302 5.434 269 1HB GLU 56 HB2 GLU 56 8.056 -8.106 4.095 270 2HB GLU 56 HB1 GLU 56 6.660 -9.162 3.993 271 1HG GLU 56 HG2 GLU 56 6.101 -7.822 1.863 272 2HG GLU 56 HG1 GLU 56 7.787 -7.318 1.930 273 H GLU 57 HN GLU 57 6.323 -5.826 2.217 274 HA GLU 57 HA GLU 57 8.162 -3.827 3.203 275 1HB GLU 57 HB2 GLU 57 7.449 -4.946 0.653 276 2HB GLU 57 HB1 GLU 57 7.297 -3.200 0.601 277 1HG GLU 57 HG2 GLU 57 9.678 -4.883 0.774 278 2HG GLU 57 HG1 GLU 57 9.473 -3.276 0.080 279 H ILE 58 HN ILE 58 4.982 -3.990 1.738 280 HA ILE 58 HA ILE 58 4.288 -1.342 1.717 281 HB ILE 58 HB ILE 58 2.565 -3.748 2.264 282 1HG1 ILE 58 HG12 ILE 58 2.754 -2.237 -0.322 283 2HG1 ILE 58 HG11 ILE 58 3.951 -3.472 0.062 284 1HG2 ILE 58 HG21 ILE 58 0.682 -2.413 1.758 285 2HG2 ILE 58 HG22 ILE 58 1.692 -1.051 1.278 286 3HG2 ILE 58 HG23 ILE 58 1.622 -1.546 2.969 287 1HD1 ILE 58 HD11 ILE 58 0.993 -3.814 -0.303 288 2HD1 ILE 58 HD12 ILE 58 2.031 -5.060 0.391 289 3HD1 ILE 58 HD13 ILE 58 2.297 -4.506 -1.265 290 H ALA 59 HN ALA 59 4.490 -3.545 4.389 291 HA ALA 59 HA ALA 59 2.951 -1.907 6.171 292 1HB ALA 59 HB1 ALA 59 3.821 -3.472 7.907 293 2HB ALA 59 HB2 ALA 59 4.762 -4.266 6.638 294 3HB ALA 59 HB3 ALA 59 2.998 -4.253 6.557 295 H LYS 60 HN LYS 60 5.251 -0.644 4.788 296 HA LYS 60 HA LYS 60 6.706 0.256 7.182 297 1HB LYS 60 HB2 LYS 60 7.804 -0.554 4.515 298 2HB LYS 60 HB1 LYS 60 8.637 0.672 5.461 299 1HG LYS 60 HG2 LYS 60 9.601 -1.524 5.830 300 2HG LYS 60 HG1 LYS 60 8.867 -0.912 7.310 301 1HD LYS 60 HD2 LYS 60 7.066 -2.389 7.164 302 2HD LYS 60 HD1 LYS 60 7.351 -2.712 5.451 303 1HE LYS 60 HE2 LYS 60 9.218 -3.512 7.680 304 2HE LYS 60 HE1 LYS 60 8.006 -4.575 6.973 305 1HZ LYS 60 HZ1 LYS 60 9.225 -4.887 5.135 306 2HZ LYS 60 HZ2 LYS 60 10.523 -4.403 6.110 307 3HZ LYS 60 HZ3 LYS 60 9.781 -3.292 5.079 308 H VAL 61 HN VAL 61 4.370 1.217 5.592 309 HA VAL 61 HA VAL 61 5.450 3.852 4.826 310 HB VAL 61 HB VAL 61 2.902 3.619 3.687 311 1HG1 VAL 61 HG11 VAL 61 4.305 3.361 1.540 312 2HG1 VAL 61 HG12 VAL 61 5.700 3.467 2.611 313 3HG1 VAL 61 HG13 VAL 61 4.551 4.802 2.519 314 1HG2 VAL 61 HG21 VAL 61 2.765 1.586 2.572 315 2HG2 VAL 61 HG22 VAL 61 3.268 1.143 4.201 316 3HG2 VAL 61 HG23 VAL 61 4.450 1.189 2.896 317 HA PRO 62 HA PRO 62 2.961 6.390 7.428 318 1HB PRO 62 HB2 PRO 62 0.579 6.762 5.939 319 2HB PRO 62 HB1 PRO 62 1.965 7.858 6.031 320 1HG PRO 62 HG2 PRO 62 1.326 5.761 3.995 321 2HG PRO 62 HG1 PRO 62 2.114 7.343 3.770 322 1HD PRO 62 HD2 PRO 62 3.571 5.169 3.717 323 2HD PRO 62 HD1 PRO 62 4.167 6.557 4.630 324 H GLY 63 HN GLY 63 2.619 4.654 8.921 325 1HA GLY 63 HA2 GLY 63 1.225 3.462 10.312 326 2HA GLY 63 HA1 GLY 63 -0.121 4.202 9.453 327 H ILE 64 HN ILE 64 0.990 3.135 6.884 328 HA ILE 64 HA ILE 64 -0.578 0.971 6.553 329 HB ILE 64 HB ILE 64 1.963 1.600 5.080 330 1HG1 ILE 64 HG12 ILE 64 -0.862 2.517 4.534 331 2HG1 ILE 64 HG11 ILE 64 0.399 3.515 5.228 332 1HG2 ILE 64 HG21 ILE 64 1.281 0.184 3.405 333 2HG2 ILE 64 HG22 ILE 64 -0.419 0.285 3.864 334 3HG2 ILE 64 HG23 ILE 64 0.704 -0.674 4.832 335 1HD1 ILE 64 HD11 ILE 64 1.293 3.949 3.241 336 2HD1 ILE 64 HD12 ILE 64 -0.246 3.379 2.598 337 3HD1 ILE 64 HD13 ILE 64 1.128 2.280 2.696 338 H SER 65 HN SER 65 -0.484 -0.760 7.688 339 HA SER 65 HA SER 65 1.888 -2.402 7.620 340 1HB SER 65 HB2 SER 65 0.381 -2.076 10.199 341 2HB SER 65 HB1 SER 65 2.004 -2.708 9.949 342 HG SER 65 HG SER 65 1.284 -0.007 9.457 343 H GLN 66 HN GLN 66 1.119 -4.582 8.561 344 HA GLN 66 HA GLN 66 -0.363 -6.200 7.472 345 1HB GLN 66 HB2 GLN 66 0.030 -6.285 9.930 346 2HB GLN 66 HB1 GLN 66 -1.413 -5.309 10.153 347 1HG GLN 66 HG2 GLN 66 -1.279 -8.067 8.976 348 2HG GLN 66 HG1 GLN 66 -1.898 -7.637 10.567 349 1HE2 GLN 66 HE21 GLN 66 -2.524 -7.845 7.229 350 2HE2 GLN 66 HE22 GLN 66 -4.175 -7.336 7.258 351 H GLY 67 HN GLY 67 -2.234 -3.655 9.152 352 1HA GLY 67 HA2 GLY 67 -4.698 -4.311 7.928 353 2HA GLY 67 HA1 GLY 67 -4.325 -2.794 8.731 354 H LEU 68 HN LEU 68 -2.722 -1.393 7.328 355 HA LEU 68 HA LEU 68 -4.097 -0.882 4.869 356 1HB LEU 68 HB2 LEU 68 -2.665 0.688 6.556 357 2HB LEU 68 HB1 LEU 68 -1.453 0.379 5.334 358 HG LEU 68 HG LEU 68 -2.579 2.447 4.830 359 1HD1 LEU 68 HD11 LEU 68 -3.300 1.987 2.581 360 2HD1 LEU 68 HD12 LEU 68 -3.464 0.274 2.959 361 3HD1 LEU 68 HD13 LEU 68 -1.874 1.039 2.988 362 1HD2 LEU 68 HD21 LEU 68 -4.932 0.916 5.566 363 2HD2 LEU 68 HD22 LEU 68 -5.131 1.773 4.036 364 3HD2 LEU 68 HD23 LEU 68 -4.691 2.661 5.495 365 H ALA 69 HN ALA 69 -1.046 -2.215 5.871 366 HA ALA 69 HA ALA 69 0.344 -2.513 3.593 367 1HB ALA 69 HB1 ALA 69 1.376 -4.479 4.502 368 2HB ALA 69 HB2 ALA 69 -0.004 -4.759 5.564 369 3HB ALA 69 HB3 ALA 69 1.042 -3.364 5.825 370 H GLU 70 HN GLU 70 -2.113 -4.849 4.718 371 HA GLU 70 HA GLU 70 -2.134 -6.357 2.334 372 1HB GLU 70 HB2 GLU 70 -4.327 -5.948 4.375 373 2HB GLU 70 HB1 GLU 70 -4.331 -7.187 3.129 374 1HG GLU 70 HG2 GLU 70 -2.045 -7.817 4.213 375 2HG GLU 70 HG1 GLU 70 -2.714 -6.973 5.591 376 H LYS 71 HN LYS 71 -4.148 -3.734 3.527 377 HA LYS 71 HA LYS 71 -6.005 -3.485 1.555 378 1HB LYS 71 HB2 LYS 71 -4.552 -1.474 3.237 379 2HB LYS 71 HB1 LYS 71 -5.783 -0.975 2.105 380 1HG LYS 71 HG2 LYS 71 -6.196 -1.720 4.710 381 2HG LYS 71 HG1 LYS 71 -7.435 -1.598 3.461 382 1HD LYS 71 HD2 LYS 71 -7.446 -3.893 3.074 383 2HD LYS 71 HD1 LYS 71 -5.851 -4.124 3.784 384 1HE LYS 71 HE2 LYS 71 -7.467 -5.028 5.287 385 2HE LYS 71 HE1 LYS 71 -6.821 -3.554 5.999 386 1HZ LYS 71 HZ1 LYS 71 -9.290 -3.846 6.139 387 2HZ LYS 71 HZ2 LYS 71 -9.353 -3.608 4.470 388 3HZ LYS 71 HZ3 LYS 71 -8.774 -2.383 5.475 389 H ILE 72 HN ILE 72 -2.649 -2.522 1.555 390 HA ILE 72 HA ILE 72 -2.829 -1.316 -1.085 391 HB ILE 72 HB ILE 72 -0.374 -1.960 0.551 392 1HG1 ILE 72 HG12 ILE 72 -2.123 0.490 0.454 393 2HG1 ILE 72 HG11 ILE 72 -1.767 -0.532 1.842 394 1HG2 ILE 72 HG21 ILE 72 -0.507 -1.250 -2.071 395 2HG2 ILE 72 HG22 ILE 72 0.864 -0.945 -1.001 396 3HG2 ILE 72 HG23 ILE 72 -0.342 0.317 -1.274 397 1HD1 ILE 72 HD11 ILE 72 0.502 0.221 1.879 398 2HD1 ILE 72 HD12 ILE 72 -0.579 1.613 1.864 399 3HD1 ILE 72 HD13 ILE 72 0.258 1.129 0.394 400 H PHE 73 HN PHE 73 -1.652 -4.211 0.457 401 HA PHE 73 HA PHE 73 -0.240 -5.448 -1.538 402 1HB PHE 73 HB2 PHE 73 -0.426 -6.453 0.649 403 2HB PHE 73 HB1 PHE 73 -2.167 -6.621 0.473 404 HD1 PHE 73 HD1 PHE 73 -3.105 -8.307 -1.019 405 HD2 PHE 73 HD2 PHE 73 1.076 -8.034 -0.300 406 HE1 PHE 73 HE1 PHE 73 -2.812 -10.572 -1.925 407 HE2 PHE 73 HE2 PHE 73 1.382 -10.298 -1.210 408 HZ PHE 73 HZ PHE 73 -0.562 -11.568 -2.029 409 H TRP 74 HN TRP 74 -3.718 -5.737 -0.920 410 HA TRP 74 HA TRP 74 -4.338 -7.230 -3.201 411 1HB TRP 74 HB2 TRP 74 -6.293 -5.265 -2.061 412 2HB TRP 74 HB1 TRP 74 -6.588 -6.880 -2.687 413 HD1 TRP 74 HD1 TRP 74 -6.370 -5.046 0.460 414 HE1 TRP 74 HE1 TRP 74 -6.179 -6.647 2.469 415 HE3 TRP 74 HE3 TRP 74 -5.279 -9.349 -2.044 416 HZ2 TRP 74 HZ2 TRP 74 -5.630 -9.376 2.920 417 HZ3 TRP 74 HZ3 TRP 74 -4.937 -11.417 -0.761 418 HH2 TRP 74 HH2 TRP 74 -5.114 -11.427 1.680 419 H SER 75 HN SER 75 -3.352 -4.015 -2.926 420 HA SER 75 HA SER 75 -4.848 -2.926 -5.105 421 1HB SER 75 HB2 SER 75 -2.294 -1.826 -3.932 422 2HB SER 75 HB1 SER 75 -3.554 -0.943 -4.789 423 HG SER 75 HG SER 75 -4.532 -2.291 -2.632 424 H LEU 76 HN LEU 76 -1.660 -4.439 -4.823 425 HA LEU 76 HA LEU 76 -1.436 -4.138 -7.731 426 1HB LEU 76 HB2 LEU 76 1.112 -4.538 -7.122 427 2HB LEU 76 HB1 LEU 76 0.387 -2.955 -7.246 428 HG LEU 76 HG LEU 76 1.893 -3.211 -5.321 429 1HD1 LEU 76 HD11 LEU 76 -0.992 -2.588 -4.874 430 2HD1 LEU 76 HD12 LEU 76 0.359 -1.487 -5.131 431 3HD1 LEU 76 HD13 LEU 76 0.219 -2.372 -3.611 432 1HD2 LEU 76 HD21 LEU 76 1.506 -5.521 -4.757 433 2HD2 LEU 76 HD22 LEU 76 -0.164 -5.169 -4.330 434 3HD2 LEU 76 HD23 LEU 76 1.145 -4.491 -3.370 435 H LYS 77 HN LYS 77 -0.844 -6.294 -5.015 436 HA LYS 77 HA LYS 77 0.466 -8.309 -6.385 437 1HB LYS 77 HB2 LYS 77 -0.691 -7.994 -3.819 438 2HB LYS 77 HB1 LYS 77 -1.243 -9.533 -4.474 439 1HG LYS 77 HG2 LYS 77 0.732 -10.010 -3.326 440 2HG LYS 77 HG1 LYS 77 1.180 -9.995 -5.027 441 1HD LYS 77 HD2 LYS 77 2.240 -7.925 -4.845 442 2HD LYS 77 HD1 LYS 77 1.436 -7.547 -3.322 443 1HE LYS 77 HE2 LYS 77 2.799 -8.958 -2.098 444 2HE LYS 77 HE1 LYS 77 3.271 -9.895 -3.517 445 1HZ LYS 77 HZ1 LYS 77 4.668 -8.178 -4.246 446 2HZ LYS 77 HZ2 LYS 77 4.988 -8.330 -2.596 447 3HZ LYS 77 HZ3 LYS 77 4.027 -7.056 -3.160 448 H HIS 78 HN HIS 78 -2.825 -8.887 -5.268 449 HA HIS 78 HA HIS 78 -3.510 -9.861 -7.946 450 1HB HIS 78 HB2 HIS 78 -2.941 -11.510 -5.733 451 2HB HIS 78 HB1 HIS 78 -4.695 -11.516 -5.910 452 HD1 HIS 78 HD1 HIS 78 -1.765 -13.157 -7.106 453 HD2 HIS 78 HD2 HIS 78 -5.435 -12.146 -8.753 454 HE1 HIS 78 HE1 HIS 78 -2.013 -14.617 -9.129 455 HE2 HIS 78 HE2 HIS 78 -4.110 -13.780 -10.248
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