NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18096 | 2df0 | 7005 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 23.915 5.786 9.928 2 2H ILE 1 HT2 ILE 1 23.484 4.817 8.605 3 3H ILE 1 HT3 ILE 1 22.465 6.076 9.103 4 HA ILE 1 HA ILE 1 23.535 7.590 7.944 5 HB ILE 1 HB ILE 1 26.089 7.615 7.843 6 1HG1 ILE 1 HG12 ILE 1 26.344 6.059 10.286 7 2HG1 ILE 1 HG11 ILE 1 25.802 5.063 8.937 8 1HG2 ILE 1 HG21 ILE 1 24.519 8.897 9.420 9 2HG2 ILE 1 HG22 ILE 1 26.230 8.800 9.838 10 3HG2 ILE 1 HG23 ILE 1 25.063 7.757 10.653 11 1HD1 ILE 1 HD11 ILE 1 28.353 5.437 9.455 12 2HD1 ILE 1 HD12 ILE 1 28.095 6.898 8.500 13 3HD1 ILE 1 HD13 ILE 1 27.759 5.315 7.798 14 H LYS 2 HN LYS 2 23.839 7.755 5.801 15 HA LYS 2 HA LYS 2 24.811 5.377 4.357 16 1HB LYS 2 HB2 LYS 2 22.576 7.066 3.261 17 2HB LYS 2 HB1 LYS 2 23.047 5.436 2.807 18 1HG LYS 2 HG2 LYS 2 22.326 5.244 5.485 19 2HG LYS 2 HG1 LYS 2 21.129 6.322 4.761 20 1HD LYS 2 HD2 LYS 2 20.228 4.681 3.502 21 2HD LYS 2 HD1 LYS 2 21.797 3.942 3.168 22 1HE LYS 2 HE2 LYS 2 21.812 2.877 5.324 23 2HE LYS 2 HE1 LYS 2 20.344 3.729 5.800 24 1HZ LYS 2 HZ1 LYS 2 20.605 1.632 3.718 25 2HZ LYS 2 HZ2 LYS 2 19.204 2.563 3.938 26 3HZ LYS 2 HZ3 LYS 2 19.744 1.533 5.175 27 HA PRO 3 HA PRO 3 27.157 8.436 2.134 28 1HB PRO 3 HB2 PRO 3 27.972 6.993 0.038 29 2HB PRO 3 HB1 PRO 3 28.534 6.624 1.674 30 1HG PRO 3 HG2 PRO 3 26.415 5.285 0.049 31 2HG PRO 3 HG1 PRO 3 27.657 4.558 1.084 32 1HD PRO 3 HD2 PRO 3 25.037 4.961 1.839 33 2HD PRO 3 HD1 PRO 3 26.395 4.817 2.970 34 H GLU 4 HN GLU 4 24.146 7.809 1.474 35 HA GLU 4 HA GLU 4 22.562 8.295 -0.050 36 1HB GLU 4 HB2 GLU 4 24.569 10.439 -0.762 37 2HB GLU 4 HB1 GLU 4 22.923 10.393 -1.380 38 1HG GLU 4 HG2 GLU 4 23.916 11.047 1.336 39 2HG GLU 4 HG1 GLU 4 22.645 11.807 0.378 40 H ALA 5 HN ALA 5 23.180 6.204 -0.895 41 HA ALA 5 HA ALA 5 24.573 6.224 -3.449 42 1HB ALA 5 HB1 ALA 5 23.797 3.612 -2.728 43 2HB ALA 5 HB2 ALA 5 24.380 4.424 -1.272 44 3HB ALA 5 HB3 ALA 5 25.408 4.329 -2.704 45 HA PRO 6 HA PRO 6 20.237 4.368 -4.655 46 1HB PRO 6 HB2 PRO 6 18.370 5.594 -2.755 47 2HB PRO 6 HB1 PRO 6 18.514 3.907 -3.256 48 1HG PRO 6 HG2 PRO 6 19.210 4.726 -0.789 49 2HG PRO 6 HG1 PRO 6 20.060 3.413 -1.626 50 1HD PRO 6 HD2 PRO 6 20.852 6.287 -1.312 51 2HD PRO 6 HD1 PRO 6 21.847 4.823 -1.155 52 H GLY 7 HN GLY 7 21.419 6.435 -5.675 53 1HA GLY 7 HA2 GLY 7 19.340 8.517 -5.997 54 2HA GLY 7 HA1 GLY 7 21.064 8.871 -6.029 55 H GLU 8 HN GLU 8 20.474 5.938 -7.464 56 HA GLU 8 HA GLU 8 20.471 7.130 -10.146 57 1HB GLU 8 HB2 GLU 8 22.329 5.471 -9.174 58 2HB GLU 8 HB1 GLU 8 21.173 4.273 -9.737 59 1HG GLU 8 HG2 GLU 8 23.089 5.091 -11.291 60 2HG GLU 8 HG1 GLU 8 21.475 4.812 -11.941 61 H ASP 9 HN ASP 9 19.801 3.799 -9.535 62 HA ASP 9 HA ASP 9 16.931 4.287 -9.790 63 1HB ASP 9 HB2 ASP 9 18.198 3.274 -11.875 64 2HB ASP 9 HB1 ASP 9 18.030 1.782 -10.949 65 H ALA 10 HN ALA 10 19.109 1.544 -9.188 66 HA ALA 10 HA ALA 10 19.525 0.396 -7.267 67 1HB ALA 10 HB1 ALA 10 17.388 1.948 -5.818 68 2HB ALA 10 HB2 ALA 10 19.027 2.568 -6.042 69 3HB ALA 10 HB3 ALA 10 18.760 1.075 -5.136 70 H SER 11 HN SER 11 17.505 -0.018 -9.342 71 HA SER 11 HA SER 11 15.898 -2.037 -7.954 72 1HB SER 11 HB2 SER 11 15.141 -0.916 -10.612 73 2HB SER 11 HB1 SER 11 14.103 -1.686 -9.405 74 HG SER 11 HG SER 11 14.906 0.945 -9.657 75 HA PRO 12 HA PRO 12 17.258 -4.101 -12.080 76 1HB PRO 12 HB2 PRO 12 19.115 -2.753 -13.562 77 2HB PRO 12 HB1 PRO 12 17.375 -2.672 -13.862 78 1HG PRO 12 HG2 PRO 12 19.124 -0.768 -12.357 79 2HG PRO 12 HG1 PRO 12 17.852 -0.418 -13.544 80 1HD PRO 12 HD2 PRO 12 17.410 -0.192 -10.920 81 2HD PRO 12 HD1 PRO 12 16.154 -0.813 -12.013 82 H GLU 13 HN GLU 13 19.714 -1.910 -10.677 83 HA GLU 13 HA GLU 13 21.007 -4.013 -9.352 84 1HB GLU 13 HB2 GLU 13 21.583 -4.209 -11.968 85 2HB GLU 13 HB1 GLU 13 22.875 -3.131 -11.463 86 1HG GLU 13 HG2 GLU 13 22.862 -5.141 -9.552 87 2HG GLU 13 HG1 GLU 13 22.582 -5.973 -11.083 88 H GLU 14 HN GLU 14 20.448 -0.879 -9.446 89 HA GLU 14 HA GLU 14 23.087 0.021 -8.694 90 1HB GLU 14 HB2 GLU 14 20.437 1.454 -8.529 91 2HB GLU 14 HB1 GLU 14 22.003 2.180 -8.190 92 1HG GLU 14 HG2 GLU 14 21.546 2.838 -10.363 93 2HG GLU 14 HG1 GLU 14 22.640 1.468 -10.559 94 H LEU 15 HN LEU 15 20.812 -1.774 -7.150 95 HA LEU 15 HA LEU 15 21.439 -0.726 -4.501 96 1HB LEU 15 HB2 LEU 15 19.139 -1.702 -5.278 97 2HB LEU 15 HB1 LEU 15 19.900 -3.253 -4.966 98 HG LEU 15 HG LEU 15 20.436 -1.741 -2.683 99 1HD1 LEU 15 HD11 LEU 15 17.887 -0.943 -3.917 100 2HD1 LEU 15 HD12 LEU 15 18.895 -0.110 -2.733 101 3HD1 LEU 15 HD13 LEU 15 17.801 -1.391 -2.213 102 1HD2 LEU 15 HD21 LEU 15 19.997 -4.115 -2.718 103 2HD2 LEU 15 HD22 LEU 15 18.325 -3.832 -3.207 104 3HD2 LEU 15 HD23 LEU 15 18.879 -3.321 -1.613 105 H ASN 16 HN ASN 16 22.035 -3.553 -6.544 106 HA ASN 16 HA ASN 16 23.716 -4.950 -4.791 107 1HB ASN 16 HB2 ASN 16 22.988 -5.136 -7.517 108 2HB ASN 16 HB1 ASN 16 24.749 -5.064 -7.481 109 1HD2 ASN 16 HD21 ASN 16 22.021 -6.680 -5.916 110 2HD2 ASN 16 HD22 ASN 16 22.812 -8.203 -5.724 111 H ARG 17 HN ARG 17 24.467 -2.453 -7.209 112 HA ARG 17 HA ARG 17 27.146 -2.190 -6.214 113 1HB ARG 17 HB2 ARG 17 25.556 -0.655 -8.234 114 2HB ARG 17 HB1 ARG 17 27.124 -0.086 -7.666 115 1HG ARG 17 HG2 ARG 17 28.228 -2.006 -8.520 116 2HG ARG 17 HG1 ARG 17 26.697 -2.819 -8.849 117 1HD ARG 17 HD2 ARG 17 27.104 -0.195 -10.142 118 2HD ARG 17 HD1 ARG 17 28.112 -1.523 -10.718 119 HE ARG 17 HE ARG 17 25.961 -2.755 -11.074 120 1HH1 ARG 17 HH11 ARG 17 26.045 0.757 -11.075 121 2HH1 ARG 17 HH12 ARG 17 24.634 0.908 -12.090 122 1HH2 ARG 17 HH21 ARG 17 24.128 -2.562 -12.370 123 2HH2 ARG 17 HH22 ARG 17 23.533 -0.987 -12.827 124 H TYR 18 HN TYR 18 24.222 -1.224 -5.000 125 HA TYR 18 HA TYR 18 25.028 1.240 -3.797 126 1HB TYR 18 HB2 TYR 18 22.702 0.891 -3.735 127 2HB TYR 18 HB1 TYR 18 22.868 -0.784 -3.239 128 HD1 TYR 18 HD1 TYR 18 23.603 -1.249 -0.818 129 HD2 TYR 18 HD2 TYR 18 22.322 2.579 -2.169 130 HE1 TYR 18 HE1 TYR 18 23.167 -0.580 1.503 131 HE2 TYR 18 HE2 TYR 18 21.878 3.252 0.150 132 HH TYR 18 HH TYR 18 22.173 0.950 2.814 133 H TYR 19 HN TYR 19 24.985 -2.159 -2.833 134 HA TYR 19 HA TYR 19 26.498 -1.708 -0.437 135 1HB TYR 19 HB2 TYR 19 25.914 -4.279 -1.919 136 2HB TYR 19 HB1 TYR 19 26.590 -4.170 -0.297 137 HD1 TYR 19 HD1 TYR 19 23.597 -4.213 -2.274 138 HD2 TYR 19 HD2 TYR 19 25.178 -3.124 1.526 139 HE1 TYR 19 HE1 TYR 19 21.325 -4.169 -1.343 140 HE2 TYR 19 HE2 TYR 19 22.905 -3.077 2.466 141 HH TYR 19 HH TYR 19 20.350 -2.694 1.071 142 H ALA 20 HN ALA 20 27.255 -2.134 -3.718 143 HA ALA 20 HA ALA 20 29.908 -3.157 -3.322 144 1HB ALA 20 HB1 ALA 20 30.082 -3.056 -5.720 145 2HB ALA 20 HB2 ALA 20 28.611 -2.086 -5.812 146 3HB ALA 20 HB3 ALA 20 28.530 -3.761 -5.270 147 H SER 21 HN SER 21 28.434 -0.073 -4.366 148 HA SER 21 HA SER 21 30.919 1.305 -4.489 149 1HB SER 21 HB2 SER 21 29.530 3.351 -4.535 150 2HB SER 21 HB1 SER 21 28.922 2.133 -5.665 151 HG SER 21 HG SER 21 27.207 1.800 -4.421 152 H LEU 22 HN LEU 22 28.487 0.725 -2.049 153 HA LEU 22 HA LEU 22 29.591 2.259 0.056 154 1HB LEU 22 HB2 LEU 22 27.349 0.887 -0.172 155 2HB LEU 22 HB1 LEU 22 28.301 -0.404 0.526 156 HG LEU 22 HG LEU 22 28.112 0.435 2.591 157 1HD1 LEU 22 HD11 LEU 22 29.274 2.248 3.124 158 2HD1 LEU 22 HD12 LEU 22 28.091 3.287 2.331 159 3HD1 LEU 22 HD13 LEU 22 29.437 2.617 1.407 160 1HD2 LEU 22 HD21 LEU 22 26.250 2.581 1.765 161 2HD2 LEU 22 HD22 LEU 22 26.072 1.329 2.993 162 3HD2 LEU 22 HD23 LEU 22 25.843 0.931 1.291 163 H ARG 23 HN ARG 23 30.123 -1.101 -1.025 164 HA ARG 23 HA ARG 23 32.005 -1.659 1.055 165 1HB ARG 23 HB2 ARG 23 30.963 -3.531 0.079 166 2HB ARG 23 HB1 ARG 23 31.377 -3.021 -1.553 167 1HG ARG 23 HG2 ARG 23 33.137 -4.379 -1.438 168 2HG ARG 23 HG1 ARG 23 33.826 -3.280 -0.233 169 1HD ARG 23 HD2 ARG 23 31.846 -5.068 0.917 170 2HD ARG 23 HD1 ARG 23 33.159 -5.950 0.138 171 HE ARG 23 HE ARG 23 33.318 -4.324 2.517 172 1HH1 ARG 23 HH11 ARG 23 35.096 -5.901 -0.058 173 2HH1 ARG 23 HH12 ARG 23 36.618 -5.832 0.783 174 1HH2 ARG 23 HH21 ARG 23 35.299 -4.262 3.634 175 2HH2 ARG 23 HH22 ARG 23 36.732 -4.890 2.875 176 H HIS 24 HN HIS 24 32.358 -0.547 -2.289 177 HA HIS 24 HA HIS 24 35.168 -0.708 -2.402 178 1HB HIS 24 HB2 HIS 24 33.349 -0.184 -4.266 179 2HB HIS 24 HB1 HIS 24 33.739 1.482 -3.850 180 HD1 HIS 24 HD1 HIS 24 35.020 2.124 -5.938 181 HD2 HIS 24 HD2 HIS 24 36.434 -1.367 -4.165 182 HE1 HIS 24 HE1 HIS 24 37.153 1.560 -7.149 183 HE2 HIS 24 HE2 HIS 24 37.842 -0.683 -6.223 184 H TYR 25 HN TYR 25 32.980 1.927 -1.531 185 HA TYR 25 HA TYR 25 34.941 3.815 -0.841 186 1HB TYR 25 HB2 TYR 25 32.811 4.730 -1.051 187 2HB TYR 25 HB1 TYR 25 32.052 3.415 -0.163 188 HD1 TYR 25 HD1 TYR 25 31.306 3.830 1.957 189 HD2 TYR 25 HD2 TYR 25 34.482 6.200 0.412 190 HE1 TYR 25 HE1 TYR 25 31.257 5.200 3.989 191 HE2 TYR 25 HE2 TYR 25 34.458 7.573 2.445 192 HH TYR 25 HH TYR 25 33.667 7.754 4.540 193 H LEU 26 HN LEU 26 33.279 1.317 1.043 194 HA LEU 26 HA LEU 26 34.328 1.899 3.552 195 1HB LEU 26 HB2 LEU 26 32.712 -0.060 2.451 196 2HB LEU 26 HB1 LEU 26 34.094 -0.951 3.064 197 HG LEU 26 HG LEU 26 33.621 0.596 5.183 198 1HD1 LEU 26 HD11 LEU 26 31.009 0.370 5.397 199 2HD1 LEU 26 HD12 LEU 26 31.083 0.510 3.640 200 3HD1 LEU 26 HD13 LEU 26 31.745 1.792 4.656 201 1HD2 LEU 26 HD21 LEU 26 33.267 -1.378 6.144 202 2HD2 LEU 26 HD22 LEU 26 33.352 -2.074 4.526 203 3HD2 LEU 26 HD23 LEU 26 31.789 -1.644 5.220 204 H ASN 27 HN ASN 27 35.420 -0.585 1.298 205 HA ASN 27 HA ASN 27 37.786 -1.347 2.470 206 1HB ASN 27 HB2 ASN 27 36.513 -1.738 -0.008 207 2HB ASN 27 HB1 ASN 27 38.136 -1.176 -0.391 208 1HD2 ASN 27 HD21 ASN 27 37.666 -3.561 -1.248 209 2HD2 ASN 27 HD22 ASN 27 38.372 -4.793 -0.247 210 H LEU 28 HN LEU 28 37.172 1.523 0.514 211 HA LEU 28 HA LEU 28 39.927 2.259 0.298 212 1HB LEU 28 HB2 LEU 28 38.316 3.070 -1.348 213 2HB LEU 28 HB1 LEU 28 37.445 3.913 -0.063 214 HG LEU 28 HG LEU 28 39.938 4.891 0.292 215 1HD1 LEU 28 HD11 LEU 28 40.992 4.004 -1.603 216 2HD1 LEU 28 HD12 LEU 28 40.569 5.650 -2.080 217 3HD1 LEU 28 HD13 LEU 28 39.591 4.291 -2.637 218 1HD2 LEU 28 HD21 LEU 28 39.084 6.936 -0.637 219 2HD2 LEU 28 HD22 LEU 28 37.766 6.092 0.181 220 3HD2 LEU 28 HD23 LEU 28 37.877 6.060 -1.579 221 H VAL 29 HN VAL 29 37.222 3.592 2.047 222 HA VAL 29 HA VAL 29 38.532 5.707 3.208 223 HB VAL 29 HB VAL 29 36.093 5.551 3.129 224 1HG1 VAL 29 HG11 VAL 29 35.358 4.186 5.416 225 2HG1 VAL 29 HG12 VAL 29 36.561 3.138 4.659 226 3HG1 VAL 29 HG13 VAL 29 35.137 3.647 3.747 227 1HG2 VAL 29 HG21 VAL 29 37.017 7.171 4.626 228 2HG2 VAL 29 HG22 VAL 29 37.247 5.953 5.881 229 3HG2 VAL 29 HG23 VAL 29 35.617 6.432 5.402 230 H THR 30 HN THR 30 38.327 2.391 4.349 231 HA THR 30 HA THR 30 39.589 2.995 6.863 232 HB THR 30 HB THR 30 38.076 1.021 6.478 233 HG1 THR 30 HG1 THR 30 39.577 1.121 8.264 234 1HG2 THR 30 HG21 THR 30 38.589 -0.701 5.114 235 2HG2 THR 30 HG22 THR 30 40.321 -0.585 5.445 236 3HG2 THR 30 HG23 THR 30 39.562 0.521 4.290 237 H ARG 31 HN ARG 31 40.843 3.805 4.262 238 HA ARG 31 HA ARG 31 43.087 2.351 3.570 239 1HB ARG 31 HB2 ARG 31 42.028 4.846 2.929 240 2HB ARG 31 HB1 ARG 31 43.632 5.194 3.558 241 1HG ARG 31 HG2 ARG 31 44.613 3.652 1.950 242 2HG ARG 31 HG1 ARG 31 43.005 3.268 1.330 243 1HD ARG 31 HD2 ARG 31 42.860 5.873 1.023 244 2HD ARG 31 HD1 ARG 31 44.618 5.759 1.039 245 HE ARG 31 HE ARG 31 43.257 3.955 -0.788 246 1HH1 ARG 31 HH11 ARG 31 44.873 7.039 -0.337 247 2HH1 ARG 31 HH12 ARG 31 45.186 7.258 -2.041 248 1HH2 ARG 31 HH21 ARG 31 43.674 4.267 -3.035 249 2HH2 ARG 31 HH22 ARG 31 44.506 5.704 -3.551 250 H GLN 32 HN GLN 32 42.676 4.814 6.064 251 HA GLN 32 HA GLN 32 45.438 4.563 6.913 252 1HB GLN 32 HB2 GLN 32 44.441 6.087 8.847 253 2HB GLN 32 HB1 GLN 32 44.842 6.743 7.270 254 1HG GLN 32 HG2 GLN 32 42.702 7.587 8.028 255 2HG GLN 32 HG1 GLN 32 42.497 6.576 6.596 256 1HE2 GLN 32 HE21 GLN 32 42.440 6.363 10.137 257 2HE2 GLN 32 HE22 GLN 32 41.162 5.204 10.209 258 H ARG 33 HN ARG 33 42.343 3.309 7.761 259 HA ARG 33 HA ARG 33 41.565 1.852 9.287 260 1HB ARG 33 HB2 ARG 33 44.484 1.229 9.759 261 2HB ARG 33 HB1 ARG 33 43.131 0.277 10.365 262 1HG ARG 33 HG2 ARG 33 42.765 0.645 7.580 263 2HG ARG 33 HG1 ARG 33 44.424 0.110 7.850 264 1HD ARG 33 HD2 ARG 33 43.724 -1.967 8.213 265 2HD ARG 33 HD1 ARG 33 42.684 -1.409 9.520 266 HE ARG 33 HE ARG 33 40.912 -1.144 7.904 267 1HH1 ARG 33 HH11 ARG 33 43.768 -2.780 6.705 268 2HH1 ARG 33 HH12 ARG 33 42.890 -3.711 5.530 269 1HH2 ARG 33 HH21 ARG 33 39.746 -2.436 6.420 270 2HH2 ARG 33 HH22 ARG 33 40.615 -3.530 5.375 271 H TYR 34 HN TYR 34 44.497 3.189 10.821 272 HA TYR 34 HA TYR 34 42.763 4.153 13.000 273 1HB TYR 34 HB2 TYR 34 44.400 2.478 13.760 274 2HB TYR 34 HB1 TYR 34 45.709 3.456 13.104 275 HD1 TYR 34 HD1 TYR 34 46.932 4.589 14.685 276 HD2 TYR 34 HD2 TYR 34 42.768 4.020 15.373 277 HE1 TYR 34 HE1 TYR 34 47.127 5.769 16.826 278 HE2 TYR 34 HE2 TYR 34 42.960 5.208 17.520 279 HH TYR 34 HH TYR 34 44.353 6.691 18.687 280 1HN NH2 35 H1 NH2 35 45.734 6.690 11.740 281 2HN NH2 35 H2 NH2 35 46.084 5.023 12.041 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 26.317 3.108 8.412 2 2H ILE 1 HT2 ILE 1 24.888 3.383 9.285 3 3H ILE 1 HT3 ILE 1 26.359 4.006 9.854 4 HA ILE 1 HA ILE 1 24.785 5.611 8.724 5 HB ILE 1 HB ILE 1 26.705 6.594 7.293 6 1HG1 ILE 1 HG12 ILE 1 28.595 4.949 8.842 7 2HG1 ILE 1 HG11 ILE 1 27.760 4.085 7.552 8 1HG2 ILE 1 HG21 ILE 1 27.589 7.627 9.171 9 2HG2 ILE 1 HG22 ILE 1 27.433 6.178 10.166 10 3HG2 ILE 1 HG23 ILE 1 25.996 7.099 9.714 11 1HD1 ILE 1 HD11 ILE 1 29.110 4.973 6.048 12 2HD1 ILE 1 HD12 ILE 1 30.005 5.758 7.348 13 3HD1 ILE 1 HD13 ILE 1 28.670 6.602 6.561 14 H LYS 2 HN LYS 2 24.305 6.530 6.595 15 HA LYS 2 HA LYS 2 24.329 4.498 4.473 16 1HB LYS 2 HB2 LYS 2 22.082 5.020 5.789 17 2HB LYS 2 HB1 LYS 2 22.023 6.379 4.676 18 1HG LYS 2 HG2 LYS 2 20.803 4.247 4.007 19 2HG LYS 2 HG1 LYS 2 21.851 4.999 2.805 20 1HD LYS 2 HD2 LYS 2 22.218 2.620 2.779 21 2HD LYS 2 HD1 LYS 2 23.646 3.408 3.450 22 1HE LYS 2 HE2 LYS 2 23.474 2.076 5.219 23 2HE LYS 2 HE1 LYS 2 21.966 2.892 5.627 24 1HZ LYS 2 HZ1 LYS 2 21.789 0.820 3.602 25 2HZ LYS 2 HZ2 LYS 2 20.734 1.186 4.878 26 3HZ LYS 2 HZ3 LYS 2 22.141 0.286 5.170 27 HA PRO 3 HA PRO 3 26.079 8.180 2.439 28 1HB PRO 3 HB2 PRO 3 27.184 6.166 0.629 29 2HB PRO 3 HB1 PRO 3 28.034 7.362 1.608 30 1HG PRO 3 HG2 PRO 3 28.125 4.712 2.144 31 2HG PRO 3 HG1 PRO 3 28.221 5.946 3.413 32 1HD PRO 3 HD2 PRO 3 25.889 4.266 2.571 33 2HD PRO 3 HD1 PRO 3 26.410 4.736 4.203 34 H GLU 4 HN GLU 4 25.646 8.996 0.309 35 HA GLU 4 HA GLU 4 23.134 8.017 -0.710 36 1HB GLU 4 HB2 GLU 4 24.821 10.435 -1.219 37 2HB GLU 4 HB1 GLU 4 23.554 10.009 -2.360 38 1HG GLU 4 HG2 GLU 4 22.187 11.185 -1.069 39 2HG GLU 4 HG1 GLU 4 22.280 9.843 0.069 40 H ALA 5 HN ALA 5 24.415 6.005 -1.174 41 HA ALA 5 HA ALA 5 25.710 5.988 -3.765 42 1HB ALA 5 HB1 ALA 5 25.559 4.257 -1.473 43 2HB ALA 5 HB2 ALA 5 26.752 4.301 -2.774 44 3HB ALA 5 HB3 ALA 5 25.268 3.363 -2.967 45 HA PRO 6 HA PRO 6 21.600 3.825 -4.945 46 1HB PRO 6 HB2 PRO 6 19.532 3.799 -3.238 47 2HB PRO 6 HB1 PRO 6 20.796 2.563 -3.177 48 1HG PRO 6 HG2 PRO 6 20.429 4.989 -1.460 49 2HG PRO 6 HG1 PRO 6 20.899 3.345 -0.989 50 1HD PRO 6 HD2 PRO 6 22.675 5.406 -1.329 51 2HD PRO 6 HD1 PRO 6 23.097 3.693 -1.518 52 H GLY 7 HN GLY 7 18.941 4.738 -4.624 53 1HA GLY 7 HA2 GLY 7 17.605 6.669 -4.740 54 2HA GLY 7 HA1 GLY 7 19.061 7.652 -4.663 55 H GLU 8 HN GLU 8 20.512 6.430 -6.724 56 HA GLU 8 HA GLU 8 19.700 7.733 -9.009 57 1HB GLU 8 HB2 GLU 8 21.956 6.877 -8.747 58 2HB GLU 8 HB1 GLU 8 21.358 5.225 -8.748 59 1HG GLU 8 HG2 GLU 8 22.037 5.333 -10.897 60 2HG GLU 8 HG1 GLU 8 20.416 5.989 -11.113 61 H ASP 9 HN ASP 9 19.405 4.287 -8.391 62 HA ASP 9 HA ASP 9 16.808 4.241 -9.647 63 1HB ASP 9 HB2 ASP 9 18.896 3.752 -11.295 64 2HB ASP 9 HB1 ASP 9 18.567 2.127 -10.700 65 H ALA 10 HN ALA 10 19.023 1.568 -9.185 66 HA ALA 10 HA ALA 10 19.209 -0.050 -7.599 67 1HB ALA 10 HB1 ALA 10 18.996 0.826 -5.555 68 2HB ALA 10 HB2 ALA 10 17.299 0.343 -5.627 69 3HB ALA 10 HB3 ALA 10 17.771 1.977 -6.097 70 H SER 11 HN SER 11 17.172 0.292 -9.779 71 HA SER 11 HA SER 11 15.262 -1.750 -8.984 72 1HB SER 11 HB2 SER 11 15.365 -0.321 -11.610 73 2HB SER 11 HB1 SER 11 13.976 -1.136 -10.876 74 HG SER 11 HG SER 11 14.977 1.407 -10.475 75 HA PRO 12 HA PRO 12 17.388 -3.872 -12.755 76 1HB PRO 12 HB2 PRO 12 19.686 -2.680 -13.654 77 2HB PRO 12 HB1 PRO 12 18.098 -2.457 -14.399 78 1HG PRO 12 HG2 PRO 12 19.533 -0.703 -12.450 79 2HG PRO 12 HG1 PRO 12 18.627 -0.247 -13.903 80 1HD PRO 12 HD2 PRO 12 17.574 -0.009 -11.462 81 2HD PRO 12 HD1 PRO 12 16.585 -0.504 -12.849 82 H GLU 13 HN GLU 13 19.729 -1.925 -10.861 83 HA GLU 13 HA GLU 13 20.373 -3.989 -9.096 84 1HB GLU 13 HB2 GLU 13 22.761 -4.452 -9.963 85 2HB GLU 13 HB1 GLU 13 21.416 -5.299 -10.716 86 1HG GLU 13 HG2 GLU 13 21.542 -4.025 -12.655 87 2HG GLU 13 HG1 GLU 13 22.448 -2.738 -11.866 88 H GLU 14 HN GLU 14 20.347 -0.870 -9.541 89 HA GLU 14 HA GLU 14 22.936 -0.049 -8.703 90 1HB GLU 14 HB2 GLU 14 20.254 1.293 -8.497 91 2HB GLU 14 HB1 GLU 14 21.706 2.022 -7.830 92 1HG GLU 14 HG2 GLU 14 21.342 2.961 -9.969 93 2HG GLU 14 HG1 GLU 14 22.727 1.874 -10.097 94 H LEU 15 HN LEU 15 20.331 -1.496 -7.009 95 HA LEU 15 HA LEU 15 20.960 -0.628 -4.394 96 1HB LEU 15 HB2 LEU 15 18.850 -1.803 -5.166 97 2HB LEU 15 HB1 LEU 15 19.768 -3.295 -5.149 98 HG LEU 15 HG LEU 15 20.192 -2.976 -2.727 99 1HD1 LEU 15 HD11 LEU 15 18.830 -0.429 -3.288 100 2HD1 LEU 15 HD12 LEU 15 20.021 -0.838 -2.052 101 3HD1 LEU 15 HD13 LEU 15 18.324 -1.255 -1.814 102 1HD2 LEU 15 HD21 LEU 15 17.377 -3.122 -3.759 103 2HD2 LEU 15 HD22 LEU 15 17.749 -3.303 -2.044 104 3HD2 LEU 15 HD23 LEU 15 18.425 -4.432 -3.218 105 H ASN 16 HN ASN 16 21.810 -3.584 -6.169 106 HA ASN 16 HA ASN 16 23.453 -4.688 -4.191 107 1HB ASN 16 HB2 ASN 16 22.759 -5.262 -6.923 108 2HB ASN 16 HB1 ASN 16 24.488 -5.495 -6.682 109 1HD2 ASN 16 HD21 ASN 16 21.323 -6.318 -5.394 110 2HD2 ASN 16 HD22 ASN 16 21.785 -7.858 -4.740 111 H ARG 17 HN ARG 17 24.279 -2.619 -6.985 112 HA ARG 17 HA ARG 17 27.041 -2.606 -6.240 113 1HB ARG 17 HB2 ARG 17 27.301 -0.803 -7.904 114 2HB ARG 17 HB1 ARG 17 26.636 -2.304 -8.540 115 1HG ARG 17 HG2 ARG 17 24.419 -1.351 -8.588 116 2HG ARG 17 HG1 ARG 17 25.008 0.123 -7.813 117 1HD ARG 17 HD2 ARG 17 24.879 0.648 -10.101 118 2HD ARG 17 HD1 ARG 17 26.588 0.338 -9.786 119 HE ARG 17 HE ARG 17 24.739 -1.384 -11.274 120 1HH1 ARG 17 HH11 ARG 17 27.985 -0.598 -10.242 121 2HH1 ARG 17 HH12 ARG 17 28.738 -1.856 -11.173 122 1HH2 ARG 17 HH21 ARG 17 25.709 -3.061 -12.494 123 2HH2 ARG 17 HH22 ARG 17 27.442 -3.266 -12.444 124 H TYR 18 HN TYR 18 24.353 -0.917 -5.040 125 HA TYR 18 HA TYR 18 25.892 1.333 -4.136 126 1HB TYR 18 HB2 TYR 18 23.844 2.104 -3.608 127 2HB TYR 18 HB1 TYR 18 23.141 0.535 -3.982 128 HD1 TYR 18 HD1 TYR 18 24.941 2.286 -1.186 129 HD2 TYR 18 HD2 TYR 18 22.039 -0.597 -2.327 130 HE1 TYR 18 HE1 TYR 18 24.369 1.940 1.176 131 HE2 TYR 18 HE2 TYR 18 21.457 -0.953 0.016 132 HH TYR 18 HH TYR 18 21.883 -0.411 2.140 133 H TYR 19 HN TYR 19 24.887 -1.801 -2.843 134 HA TYR 19 HA TYR 19 26.262 -1.633 -0.386 135 1HB TYR 19 HB2 TYR 19 25.406 -3.955 -2.107 136 2HB TYR 19 HB1 TYR 19 26.281 -4.202 -0.603 137 HD1 TYR 19 HD1 TYR 19 23.096 -3.454 -2.129 138 HD2 TYR 19 HD2 TYR 19 25.225 -3.501 1.553 139 HE1 TYR 19 HE1 TYR 19 20.967 -3.424 -0.904 140 HE2 TYR 19 HE2 TYR 19 23.101 -3.457 2.791 141 HH TYR 19 HH TYR 19 20.209 -4.221 1.532 142 H ALA 20 HN ALA 20 27.281 -2.261 -3.605 143 HA ALA 20 HA ALA 20 29.796 -3.471 -2.903 144 1HB ALA 20 HB1 ALA 20 28.842 -2.568 -5.601 145 2HB ALA 20 HB2 ALA 20 28.406 -4.117 -4.880 146 3HB ALA 20 HB3 ALA 20 30.097 -3.756 -5.245 147 H SER 21 HN SER 21 28.677 -0.464 -4.419 148 HA SER 21 HA SER 21 31.261 0.679 -4.668 149 1HB SER 21 HB2 SER 21 30.055 2.780 -5.134 150 2HB SER 21 HB1 SER 21 29.331 1.435 -6.027 151 HG SER 21 HG SER 21 27.579 1.559 -4.840 152 H LEU 22 HN LEU 22 28.767 0.668 -2.203 153 HA LEU 22 HA LEU 22 30.110 2.486 -0.439 154 1HB LEU 22 HB2 LEU 22 27.941 2.384 0.207 155 2HB LEU 22 HB1 LEU 22 27.740 0.730 -0.332 156 HG LEU 22 HG LEU 22 29.153 0.154 1.790 157 1HD1 LEU 22 HD11 LEU 22 29.685 2.523 2.290 158 2HD1 LEU 22 HD12 LEU 22 28.894 1.679 3.620 159 3HD1 LEU 22 HD13 LEU 22 27.973 2.796 2.616 160 1HD2 LEU 22 HD21 LEU 22 26.623 -0.163 1.202 161 2HD2 LEU 22 HD22 LEU 22 26.398 1.101 2.410 162 3HD2 LEU 22 HD23 LEU 22 27.196 -0.408 2.851 163 H ARG 23 HN ARG 23 30.153 -1.021 -0.993 164 HA ARG 23 HA ARG 23 31.889 -1.566 1.212 165 1HB ARG 23 HB2 ARG 23 31.061 -3.543 0.418 166 2HB ARG 23 HB1 ARG 23 31.136 -3.033 -1.267 167 1HG ARG 23 HG2 ARG 23 32.954 -4.310 -1.448 168 2HG ARG 23 HG1 ARG 23 33.788 -3.096 -0.462 169 1HD ARG 23 HD2 ARG 23 32.610 -4.528 1.481 170 2HD ARG 23 HD1 ARG 23 32.809 -5.791 0.261 171 HE ARG 23 HE ARG 23 34.967 -4.245 1.532 172 1HH1 ARG 23 HH11 ARG 23 33.886 -7.029 -0.295 173 2HH1 ARG 23 HH12 ARG 23 35.484 -7.686 -0.478 174 1HH2 ARG 23 HH21 ARG 23 37.075 -5.122 1.298 175 2HH2 ARG 23 HH22 ARG 23 37.292 -6.606 0.416 176 H HIS 24 HN HIS 24 32.504 -0.682 -2.179 177 HA HIS 24 HA HIS 24 35.325 -0.834 -1.986 178 1HB HIS 24 HB2 HIS 24 33.766 -0.577 -4.106 179 2HB HIS 24 HB1 HIS 24 34.035 1.142 -3.834 180 HD1 HIS 24 HD1 HIS 24 35.239 -1.145 -6.047 181 HD2 HIS 24 HD2 HIS 24 37.192 1.191 -3.209 182 HE1 HIS 24 HE1 HIS 24 37.635 -1.014 -6.797 183 HE2 HIS 24 HE2 HIS 24 38.830 0.251 -4.975 184 H TYR 25 HN TYR 25 32.985 1.753 -1.454 185 HA TYR 25 HA TYR 25 34.744 3.800 -0.747 186 1HB TYR 25 HB2 TYR 25 32.528 4.494 -0.901 187 2HB TYR 25 HB1 TYR 25 31.925 3.103 -0.007 188 HD1 TYR 25 HD1 TYR 25 31.206 3.423 2.154 189 HD2 TYR 25 HD2 TYR 25 34.059 6.119 0.518 190 HE1 TYR 25 HE1 TYR 25 31.092 4.772 4.197 191 HE2 TYR 25 HE2 TYR 25 33.962 7.473 2.558 192 HH TYR 25 HH TYR 25 31.903 7.745 4.495 193 H LEU 26 HN LEU 26 33.331 1.197 1.200 194 HA LEU 26 HA LEU 26 34.488 1.854 3.647 195 1HB LEU 26 HB2 LEU 26 32.886 -0.166 2.689 196 2HB LEU 26 HB1 LEU 26 34.365 -1.012 3.110 197 HG LEU 26 HG LEU 26 34.026 0.505 5.309 198 1HD1 LEU 26 HD11 LEU 26 31.279 -0.420 5.178 199 2HD1 LEU 26 HD12 LEU 26 31.625 0.852 4.004 200 3HD1 LEU 26 HD13 LEU 26 31.930 1.128 5.719 201 1HD2 LEU 26 HD21 LEU 26 34.397 -1.993 5.015 202 2HD2 LEU 26 HD22 LEU 26 32.639 -2.140 5.016 203 3HD2 LEU 26 HD23 LEU 26 33.472 -1.481 6.426 204 H ASN 27 HN ASN 27 35.606 -0.531 1.279 205 HA ASN 27 HA ASN 27 38.083 -1.138 2.330 206 1HB ASN 27 HB2 ASN 27 36.733 -1.790 0.052 207 2HB ASN 27 HB1 ASN 27 38.077 -0.858 -0.597 208 1HD2 ASN 27 HD21 ASN 27 39.907 -1.912 -0.958 209 2HD2 ASN 27 HD22 ASN 27 40.328 -3.459 -0.293 210 H LEU 28 HN LEU 28 37.148 1.797 0.664 211 HA LEU 28 HA LEU 28 39.887 2.676 0.330 212 1HB LEU 28 HB2 LEU 28 38.216 3.386 -1.300 213 2HB LEU 28 HB1 LEU 28 37.304 4.170 -0.012 214 HG LEU 28 HG LEU 28 39.659 5.384 0.343 215 1HD1 LEU 28 HD11 LEU 28 40.269 4.023 -1.896 216 2HD1 LEU 28 HD12 LEU 28 40.970 5.589 -1.487 217 3HD1 LEU 28 HD13 LEU 28 39.613 5.496 -2.609 218 1HD2 LEU 28 HD21 LEU 28 37.462 6.146 -1.581 219 2HD2 LEU 28 HD22 LEU 28 38.709 7.255 -1.013 220 3HD2 LEU 28 HD23 LEU 28 37.573 6.545 0.131 221 H VAL 29 HN VAL 29 37.101 3.800 2.064 222 HA VAL 29 HA VAL 29 38.173 5.971 3.318 223 HB VAL 29 HB VAL 29 35.756 5.476 3.173 224 1HG1 VAL 29 HG11 VAL 29 34.944 3.570 3.932 225 2HG1 VAL 29 HG12 VAL 29 35.297 4.101 5.582 226 3HG1 VAL 29 HG13 VAL 29 36.493 3.166 4.678 227 1HG2 VAL 29 HG21 VAL 29 36.950 7.080 4.875 228 2HG2 VAL 29 HG22 VAL 29 36.287 5.957 6.062 229 3HG2 VAL 29 HG23 VAL 29 35.210 6.804 4.950 230 H THR 30 HN THR 30 38.431 2.616 4.274 231 HA THR 30 HA THR 30 39.604 3.138 6.824 232 HB THR 30 HB THR 30 38.600 0.961 6.276 233 HG1 THR 30 HG1 THR 30 40.213 1.034 7.901 234 1HG2 THR 30 HG21 THR 30 40.916 0.690 4.363 235 2HG2 THR 30 HG22 THR 30 39.198 0.717 3.966 236 3HG2 THR 30 HG23 THR 30 39.871 -0.642 4.863 237 H ARG 31 HN ARG 31 40.629 4.653 4.534 238 HA ARG 31 HA ARG 31 43.218 3.858 3.784 239 1HB ARG 31 HB2 ARG 31 41.496 5.961 3.206 240 2HB ARG 31 HB1 ARG 31 42.854 6.741 3.997 241 1HG ARG 31 HG2 ARG 31 44.377 5.938 2.374 242 2HG ARG 31 HG1 ARG 31 43.173 4.845 1.687 243 1HD ARG 31 HD2 ARG 31 41.817 6.909 1.138 244 2HD ARG 31 HD1 ARG 31 43.248 7.851 1.552 245 HE ARG 31 HE ARG 31 43.288 5.784 -0.557 246 1HH1 ARG 31 HH11 ARG 31 43.908 9.071 0.522 247 2HH1 ARG 31 HH12 ARG 31 44.826 9.485 -0.893 248 1HH2 ARG 31 HH21 ARG 31 44.455 6.346 -2.426 249 2HH2 ARG 31 HH22 ARG 31 45.110 7.950 -2.593 250 H GLN 32 HN GLN 32 41.887 5.382 6.585 251 HA GLN 32 HA GLN 32 44.487 6.245 7.569 252 1HB GLN 32 HB2 GLN 32 42.887 6.928 9.586 253 2HB GLN 32 HB1 GLN 32 43.055 7.921 8.145 254 1HG GLN 32 HG2 GLN 32 40.738 7.773 8.696 255 2HG GLN 32 HG1 GLN 32 41.017 6.844 7.225 256 1HE2 GLN 32 HE21 GLN 32 41.079 6.322 10.744 257 2HE2 GLN 32 HE22 GLN 32 40.256 4.805 10.700 258 H ARG 33 HN ARG 33 42.085 3.765 8.123 259 HA ARG 33 HA ARG 33 41.915 2.013 9.551 260 1HB ARG 33 HB2 ARG 33 44.861 2.319 10.118 261 2HB ARG 33 HB1 ARG 33 43.883 0.860 10.229 262 1HG ARG 33 HG2 ARG 33 43.965 2.176 7.598 263 2HG ARG 33 HG1 ARG 33 45.466 1.427 8.149 264 1HD ARG 33 HD2 ARG 33 43.712 -0.527 8.750 265 2HD ARG 33 HD1 ARG 33 42.900 0.195 7.362 266 HE ARG 33 HE ARG 33 45.565 -1.054 7.365 267 1HH1 ARG 33 HH11 ARG 33 42.847 0.298 5.616 268 2HH1 ARG 33 HH12 ARG 33 43.371 -0.322 4.080 269 1HH2 ARG 33 HH21 ARG 33 46.241 -1.873 5.364 270 2HH2 ARG 33 HH22 ARG 33 45.297 -1.574 3.931 271 H TYR 34 HN TYR 34 44.556 3.564 11.348 272 HA TYR 34 HA TYR 34 43.040 3.678 13.759 273 1HB TYR 34 HB2 TYR 34 45.357 3.543 14.096 274 2HB TYR 34 HB1 TYR 34 45.705 4.761 12.878 275 HD1 TYR 34 HD1 TYR 34 44.257 4.311 16.273 276 HD2 TYR 34 HD2 TYR 34 46.036 6.994 13.493 277 HE1 TYR 34 HE1 TYR 34 44.426 6.018 18.034 278 HE2 TYR 34 HE2 TYR 34 46.210 8.708 15.243 279 HH TYR 34 HH TYR 34 45.865 8.052 18.502 280 1HN NH2 35 H1 NH2 35 42.917 7.347 11.912 281 2HN NH2 35 H2 NH2 35 44.118 6.190 11.457 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 28.981 8.416 6.505 2 2H ILE 1 HT2 ILE 1 29.303 8.499 4.841 3 3H ILE 1 HT3 ILE 1 30.524 8.023 5.910 4 HA ILE 1 HA ILE 1 29.641 6.119 4.745 5 HB ILE 1 HB ILE 1 28.362 5.401 7.212 6 1HG1 ILE 1 HG12 ILE 1 31.087 6.307 7.892 7 2HG1 ILE 1 HG11 ILE 1 29.892 7.587 7.708 8 1HG2 ILE 1 HG21 ILE 1 29.569 3.855 5.803 9 2HG2 ILE 1 HG22 ILE 1 30.299 3.904 7.406 10 3HG2 ILE 1 HG23 ILE 1 31.069 4.746 6.064 11 1HD1 ILE 1 HD11 ILE 1 29.286 7.193 9.797 12 2HD1 ILE 1 HD12 ILE 1 30.284 5.742 9.873 13 3HD1 ILE 1 HD13 ILE 1 28.635 5.647 9.254 14 H LYS 2 HN LYS 2 27.969 5.061 3.855 15 HA LYS 2 HA LYS 2 25.890 4.576 3.106 16 1HB LYS 2 HB2 LYS 2 25.796 4.146 5.716 17 2HB LYS 2 HB1 LYS 2 24.645 5.472 5.654 18 1HG LYS 2 HG2 LYS 2 23.178 4.274 4.252 19 2HG LYS 2 HG1 LYS 2 24.399 3.052 3.893 20 1HD LYS 2 HD2 LYS 2 22.506 2.512 5.586 21 2HD LYS 2 HD1 LYS 2 24.161 2.023 5.956 22 1HE LYS 2 HE2 LYS 2 23.835 3.060 7.915 23 2HE LYS 2 HE1 LYS 2 24.057 4.548 6.995 24 1HZ LYS 2 HZ1 LYS 2 22.055 5.059 7.825 25 2HZ LYS 2 HZ2 LYS 2 21.657 3.444 8.177 26 3HZ LYS 2 HZ3 LYS 2 21.447 4.049 6.607 27 HA PRO 3 HA PRO 3 24.998 9.009 2.031 28 1HB PRO 3 HB2 PRO 3 24.491 7.638 -0.553 29 2HB PRO 3 HB1 PRO 3 25.414 9.106 -0.220 30 1HG PRO 3 HG2 PRO 3 26.645 6.820 -0.824 31 2HG PRO 3 HG1 PRO 3 27.315 7.929 0.390 32 1HD PRO 3 HD2 PRO 3 25.805 5.374 0.781 33 2HD PRO 3 HD1 PRO 3 27.209 5.998 1.672 34 H GLU 4 HN GLU 4 23.324 6.002 1.208 35 HA GLU 4 HA GLU 4 21.148 5.423 1.027 36 1HB GLU 4 HB2 GLU 4 20.723 7.736 2.926 37 2HB GLU 4 HB1 GLU 4 19.559 6.461 2.593 38 1HG GLU 4 HG2 GLU 4 22.108 5.375 3.394 39 2HG GLU 4 HG1 GLU 4 21.475 6.498 4.595 40 H ALA 5 HN ALA 5 21.189 6.033 -1.187 41 HA ALA 5 HA ALA 5 19.165 8.010 -1.811 42 1HB ALA 5 HB1 ALA 5 20.505 9.606 -2.579 43 2HB ALA 5 HB2 ALA 5 21.364 8.453 -3.603 44 3HB ALA 5 HB3 ALA 5 21.872 8.697 -1.931 45 HA PRO 6 HA PRO 6 19.111 4.484 -4.731 46 1HB PRO 6 HB2 PRO 6 16.753 3.401 -3.944 47 2HB PRO 6 HB1 PRO 6 18.293 3.028 -3.165 48 1HG PRO 6 HG2 PRO 6 16.030 4.559 -2.135 49 2HG PRO 6 HG1 PRO 6 17.423 3.900 -1.268 50 1HD PRO 6 HD2 PRO 6 16.967 6.617 -2.214 51 2HD PRO 6 HD1 PRO 6 18.237 6.006 -1.134 52 H GLY 7 HN GLY 7 18.813 6.251 -6.282 53 1HA GLY 7 HA2 GLY 7 15.968 6.723 -6.951 54 2HA GLY 7 HA1 GLY 7 17.297 7.781 -7.413 55 H GLU 8 HN GLU 8 18.242 7.492 -9.336 56 HA GLU 8 HA GLU 8 17.342 5.322 -11.041 57 1HB GLU 8 HB2 GLU 8 18.367 6.489 -12.821 58 2HB GLU 8 HB1 GLU 8 17.697 7.745 -11.788 59 1HG GLU 8 HG2 GLU 8 20.361 7.192 -10.944 60 2HG GLU 8 HG1 GLU 8 20.355 7.437 -12.691 61 H ASP 9 HN ASP 9 19.614 5.749 -8.729 62 HA ASP 9 HA ASP 9 21.733 4.186 -10.002 63 1HB ASP 9 HB2 ASP 9 22.620 4.804 -7.469 64 2HB ASP 9 HB1 ASP 9 22.954 5.749 -8.915 65 H ALA 10 HN ALA 10 19.382 2.781 -9.456 66 HA ALA 10 HA ALA 10 20.302 0.664 -7.853 67 1HB ALA 10 HB1 ALA 10 18.637 2.705 -6.573 68 2HB ALA 10 HB2 ALA 10 19.690 1.480 -5.855 69 3HB ALA 10 HB3 ALA 10 18.052 1.052 -6.366 70 H SER 11 HN SER 11 18.445 1.955 -10.200 71 HA SER 11 HA SER 11 16.134 0.383 -10.229 72 1HB SER 11 HB2 SER 11 17.306 1.194 -12.825 73 2HB SER 11 HB1 SER 11 15.668 1.415 -12.203 74 HG SER 11 HG SER 11 16.318 3.161 -11.053 75 HA PRO 12 HA PRO 12 18.414 -2.914 -12.786 76 1HB PRO 12 HB2 PRO 12 21.197 -2.211 -13.105 77 2HB PRO 12 HB1 PRO 12 19.975 -2.435 -14.358 78 1HG PRO 12 HG2 PRO 12 21.105 -0.019 -13.793 79 2HG PRO 12 HG1 PRO 12 19.468 -0.203 -14.445 80 1HD PRO 12 HD2 PRO 12 20.333 0.245 -11.611 81 2HD PRO 12 HD1 PRO 12 19.013 1.015 -12.525 82 H GLU 13 HN GLU 13 18.605 -2.054 -9.946 83 HA GLU 13 HA GLU 13 19.289 -2.787 -7.941 84 1HB GLU 13 HB2 GLU 13 20.381 -5.063 -9.591 85 2HB GLU 13 HB1 GLU 13 20.569 -4.993 -7.845 86 1HG GLU 13 HG2 GLU 13 18.245 -5.154 -7.490 87 2HG GLU 13 HG1 GLU 13 17.891 -4.868 -9.195 88 H GLU 14 HN GLU 14 20.799 -0.963 -9.517 89 HA GLU 14 HA GLU 14 23.538 -1.271 -9.001 90 1HB GLU 14 HB2 GLU 14 21.895 0.670 -10.178 91 2HB GLU 14 HB1 GLU 14 22.710 1.490 -8.854 92 1HG GLU 14 HG2 GLU 14 24.079 1.810 -10.725 93 2HG GLU 14 HG1 GLU 14 24.864 0.544 -9.785 94 H LEU 15 HN LEU 15 20.882 -0.717 -7.013 95 HA LEU 15 HA LEU 15 21.973 0.609 -4.810 96 1HB LEU 15 HB2 LEU 15 19.591 0.164 -5.084 97 2HB LEU 15 HB1 LEU 15 19.879 -1.560 -4.965 98 HG LEU 15 HG LEU 15 20.874 -0.847 -2.601 99 1HD1 LEU 15 HD11 LEU 15 19.060 0.872 -1.778 100 2HD1 LEU 15 HD12 LEU 15 19.150 1.414 -3.454 101 3HD1 LEU 15 HD13 LEU 15 20.601 1.406 -2.451 102 1HD2 LEU 15 HD21 LEU 15 18.165 -1.601 -3.529 103 2HD2 LEU 15 HD22 LEU 15 18.315 -1.049 -1.858 104 3HD2 LEU 15 HD23 LEU 15 19.261 -2.425 -2.418 105 H ASN 16 HN ASN 16 22.020 -2.789 -5.757 106 HA ASN 16 HA ASN 16 23.044 -3.804 -3.338 107 1HB ASN 16 HB2 ASN 16 22.319 -4.823 -5.903 108 2HB ASN 16 HB1 ASN 16 23.929 -5.433 -5.502 109 1HD2 ASN 16 HD21 ASN 16 20.577 -5.385 -4.617 110 2HD2 ASN 16 HD22 ASN 16 20.641 -6.690 -3.484 111 H ARG 17 HN ARG 17 24.698 -2.994 -6.404 112 HA ARG 17 HA ARG 17 27.263 -3.279 -5.161 113 1HB ARG 17 HB2 ARG 17 28.248 -2.552 -7.157 114 2HB ARG 17 HB1 ARG 17 26.889 -3.567 -7.631 115 1HG ARG 17 HG2 ARG 17 25.765 -1.073 -7.577 116 2HG ARG 17 HG1 ARG 17 27.404 -0.734 -8.132 117 1HD ARG 17 HD2 ARG 17 26.050 -3.027 -9.403 118 2HD ARG 17 HD1 ARG 17 25.377 -1.440 -9.760 119 HE ARG 17 HE ARG 17 27.704 -2.537 -10.872 120 1HH1 ARG 17 HH11 ARG 17 26.629 0.511 -9.497 121 2HH1 ARG 17 HH12 ARG 17 27.712 1.469 -10.453 122 1HH2 ARG 17 HH21 ARG 17 29.136 -1.256 -12.129 123 2HH2 ARG 17 HH22 ARG 17 29.123 0.478 -11.938 124 H TYR 18 HN TYR 18 24.907 -0.967 -4.848 125 HA TYR 18 HA TYR 18 26.668 1.280 -4.594 126 1HB TYR 18 HB2 TYR 18 24.605 2.218 -4.729 127 2HB TYR 18 HB1 TYR 18 23.803 0.762 -4.158 128 HD1 TYR 18 HD1 TYR 18 25.971 3.506 -2.808 129 HD2 TYR 18 HD2 TYR 18 22.674 0.888 -2.162 130 HE1 TYR 18 HE1 TYR 18 25.550 4.580 -0.641 131 HE2 TYR 18 HE2 TYR 18 22.244 1.960 -0.008 132 HH TYR 18 HH TYR 18 22.837 3.533 1.422 133 H TYR 19 HN TYR 19 25.128 -1.047 -2.410 134 HA TYR 19 HA TYR 19 26.510 -0.222 -0.088 135 1HB TYR 19 HB2 TYR 19 25.510 -3.001 -0.716 136 2HB TYR 19 HB1 TYR 19 25.870 -2.350 0.875 137 HD1 TYR 19 HD1 TYR 19 23.345 -2.947 -1.523 138 HD2 TYR 19 HD2 TYR 19 24.440 -0.274 1.604 139 HE1 TYR 19 HE1 TYR 19 20.997 -2.276 -1.267 140 HE2 TYR 19 HE2 TYR 19 22.097 0.402 1.856 141 HH TYR 19 HH TYR 19 19.896 -0.346 1.379 142 H ALA 20 HN ALA 20 27.395 -2.247 -2.754 143 HA ALA 20 HA ALA 20 29.549 -3.546 -1.328 144 1HB ALA 20 HB1 ALA 20 29.777 -4.890 -3.277 145 2HB ALA 20 HB2 ALA 20 28.829 -3.751 -4.240 146 3HB ALA 20 HB3 ALA 20 28.052 -4.695 -2.965 147 H SER 21 HN SER 21 29.188 -1.265 -4.026 148 HA SER 21 HA SER 21 32.030 -1.010 -4.347 149 1HB SER 21 HB2 SER 21 29.647 0.361 -5.561 150 2HB SER 21 HB1 SER 21 31.273 0.986 -5.825 151 HG SER 21 HG SER 21 30.080 -0.948 -7.122 152 H LEU 22 HN LEU 22 29.517 0.555 -2.527 153 HA LEU 22 HA LEU 22 31.259 2.699 -1.659 154 1HB LEU 22 HB2 LEU 22 29.159 3.484 -1.353 155 2HB LEU 22 HB1 LEU 22 28.475 1.885 -1.149 156 HG LEU 22 HG LEU 22 29.755 2.104 1.202 157 1HD1 LEU 22 HD11 LEU 22 29.315 4.425 2.034 158 2HD1 LEU 22 HD12 LEU 22 29.079 4.909 0.357 159 3HD1 LEU 22 HD13 LEU 22 30.644 4.291 0.883 160 1HD2 LEU 22 HD21 LEU 22 27.596 2.788 2.157 161 2HD2 LEU 22 HD22 LEU 22 27.416 1.542 0.920 162 3HD2 LEU 22 HD23 LEU 22 27.041 3.222 0.539 163 H ARG 23 HN ARG 23 30.413 -0.564 -0.661 164 HA ARG 23 HA ARG 23 31.923 -0.356 1.779 165 1HB ARG 23 HB2 ARG 23 30.153 -2.159 1.098 166 2HB ARG 23 HB1 ARG 23 31.552 -2.982 0.416 167 1HG ARG 23 HG2 ARG 23 32.646 -2.538 2.711 168 2HG ARG 23 HG1 ARG 23 30.987 -2.275 3.255 169 1HD ARG 23 HD2 ARG 23 30.450 -4.545 2.255 170 2HD ARG 23 HD1 ARG 23 32.192 -4.780 2.114 171 HE ARG 23 HE ARG 23 32.193 -4.332 4.624 172 1HH1 ARG 23 HH11 ARG 23 29.490 -5.796 2.944 173 2HH1 ARG 23 HH12 ARG 23 28.918 -6.653 4.345 174 1HH2 ARG 23 HH21 ARG 23 31.460 -5.472 6.460 175 2HH2 ARG 23 HH22 ARG 23 30.052 -6.491 6.334 176 H HIS 24 HN HIS 24 32.678 -1.275 -1.529 177 HA HIS 24 HA HIS 24 35.372 -2.023 -1.002 178 1HB HIS 24 HB2 HIS 24 33.898 -2.368 -3.168 179 2HB HIS 24 HB1 HIS 24 34.564 -0.803 -3.622 180 HD1 HIS 24 HD1 HIS 24 35.159 -3.574 -5.071 181 HD2 HIS 24 HD2 HIS 24 37.640 -1.628 -2.349 182 HE1 HIS 24 HE1 HIS 24 37.486 -4.415 -5.548 183 HE2 HIS 24 HE2 HIS 24 38.945 -3.339 -3.794 184 H TYR 25 HN TYR 25 33.685 0.952 -1.604 185 HA TYR 25 HA TYR 25 35.896 2.680 -1.772 186 1HB TYR 25 HB2 TYR 25 33.916 3.710 -2.396 187 2HB TYR 25 HB1 TYR 25 32.995 2.953 -1.104 188 HD1 TYR 25 HD1 TYR 25 32.154 4.405 0.456 189 HD2 TYR 25 HD2 TYR 25 35.882 5.304 -1.373 190 HE1 TYR 25 HE1 TYR 25 32.283 6.489 1.753 191 HE2 TYR 25 HE2 TYR 25 36.038 7.374 -0.080 192 HH TYR 25 HH TYR 25 35.069 8.709 1.391 193 H LEU 26 HN LEU 26 33.896 1.634 0.968 194 HA LEU 26 HA LEU 26 35.292 2.858 3.043 195 1HB LEU 26 HB2 LEU 26 33.220 0.957 2.757 196 2HB LEU 26 HB1 LEU 26 34.408 0.249 3.836 197 HG LEU 26 HG LEU 26 34.212 2.711 4.890 198 1HD1 LEU 26 HD11 LEU 26 31.459 2.650 4.905 199 2HD1 LEU 26 HD12 LEU 26 31.869 2.342 3.218 200 3HD1 LEU 26 HD13 LEU 26 32.469 3.794 4.021 201 1HD2 LEU 26 HD21 LEU 26 32.281 1.454 6.288 202 2HD2 LEU 26 HD22 LEU 26 34.002 1.115 6.472 203 3HD2 LEU 26 HD23 LEU 26 33.004 0.085 5.447 204 H ASN 27 HN ASN 27 35.495 -0.504 2.070 205 HA ASN 27 HA ASN 27 37.740 -1.394 3.310 206 1HB ASN 27 HB2 ASN 27 36.165 -2.594 1.659 207 2HB ASN 27 HB1 ASN 27 37.270 -2.033 0.408 208 1HD2 ASN 27 HD21 ASN 27 36.926 -4.061 3.230 209 2HD2 ASN 27 HD22 ASN 27 38.312 -5.054 2.923 210 H LEU 28 HN LEU 28 37.650 0.730 0.482 211 HA LEU 28 HA LEU 28 40.471 0.617 0.049 212 1HB LEU 28 HB2 LEU 28 39.052 1.310 -1.793 213 2HB LEU 28 HB1 LEU 28 38.486 2.684 -0.839 214 HG LEU 28 HG LEU 28 41.143 3.087 -0.693 215 1HD1 LEU 28 HD11 LEU 28 41.585 1.191 -2.219 216 2HD1 LEU 28 HD12 LEU 28 42.150 2.729 -2.866 217 3HD1 LEU 28 HD13 LEU 28 40.665 2.005 -3.479 218 1HD2 LEU 28 HD21 LEU 28 40.516 5.025 -1.600 219 2HD2 LEU 28 HD22 LEU 28 38.920 4.316 -1.849 220 3HD2 LEU 28 HD23 LEU 28 40.121 4.264 -3.139 221 H VAL 29 HN VAL 29 38.334 3.078 1.334 222 HA VAL 29 HA VAL 29 40.255 4.999 1.760 223 HB VAL 29 HB VAL 29 38.748 6.105 3.350 224 1HG1 VAL 29 HG11 VAL 29 38.580 6.219 0.843 225 2HG1 VAL 29 HG12 VAL 29 37.142 6.685 1.746 226 3HG1 VAL 29 HG13 VAL 29 37.224 5.101 0.974 227 1HG2 VAL 29 HG21 VAL 29 36.474 4.356 2.936 228 2HG2 VAL 29 HG22 VAL 29 37.078 5.099 4.417 229 3HG2 VAL 29 HG23 VAL 29 37.758 3.571 3.857 230 H THR 30 HN THR 30 39.613 2.172 3.632 231 HA THR 30 HA THR 30 40.853 2.707 6.040 232 HB THR 30 HB THR 30 41.492 0.406 6.152 233 HG1 THR 30 HG1 THR 30 40.943 -0.236 3.502 234 1HG2 THR 30 HG21 THR 30 39.051 0.569 4.384 235 2HG2 THR 30 HG22 THR 30 39.063 0.839 6.127 236 3HG2 THR 30 HG23 THR 30 39.468 -0.751 5.481 237 H ARG 31 HN ARG 31 42.189 2.701 2.864 238 HA ARG 31 HA ARG 31 44.848 2.446 2.990 239 1HB ARG 31 HB2 ARG 31 43.104 3.631 1.251 240 2HB ARG 31 HB1 ARG 31 44.091 4.998 1.756 241 1HG ARG 31 HG2 ARG 31 45.062 4.075 -0.214 242 2HG ARG 31 HG1 ARG 31 46.115 3.678 1.144 243 1HD ARG 31 HD2 ARG 31 44.049 1.674 0.583 244 2HD ARG 31 HD1 ARG 31 45.215 1.899 -0.721 245 HE ARG 31 HE ARG 31 45.753 0.881 1.954 246 1HH1 ARG 31 HH11 ARG 31 46.963 1.758 -1.215 247 2HH1 ARG 31 HH12 ARG 31 48.544 1.088 -0.935 248 1HH2 ARG 31 HH21 ARG 31 47.803 -0.047 2.310 249 2HH2 ARG 31 HH22 ARG 31 49.032 0.093 1.084 250 H GLN 32 HN GLN 32 43.211 5.503 3.755 251 HA GLN 32 HA GLN 32 45.517 6.315 5.378 252 1HB GLN 32 HB2 GLN 32 43.736 8.451 5.324 253 2HB GLN 32 HB1 GLN 32 45.197 8.289 4.362 254 1HG GLN 32 HG2 GLN 32 43.677 8.722 2.726 255 2HG GLN 32 HG1 GLN 32 43.612 6.964 2.747 256 1HE2 GLN 32 HE21 GLN 32 42.196 8.219 5.523 257 2HE2 GLN 32 HE22 GLN 32 40.544 8.140 5.015 258 H ARG 33 HN ARG 33 42.244 5.335 5.499 259 HA ARG 33 HA ARG 33 40.806 4.837 7.161 260 1HB ARG 33 HB2 ARG 33 43.053 4.201 8.352 261 2HB ARG 33 HB1 ARG 33 42.734 5.651 9.297 262 1HG ARG 33 HG2 ARG 33 41.478 4.389 10.616 263 2HG ARG 33 HG1 ARG 33 40.318 4.309 9.288 264 1HD ARG 33 HD2 ARG 33 41.022 2.220 8.617 265 2HD ARG 33 HD1 ARG 33 42.623 2.414 9.333 266 HE ARG 33 HE ARG 33 40.145 1.857 10.845 267 1HH1 ARG 33 HH11 ARG 33 43.632 1.703 10.491 268 2HH1 ARG 33 HH12 ARG 33 43.866 0.793 11.954 269 1HH2 ARG 33 HH21 ARG 33 40.452 0.614 12.734 270 2HH2 ARG 33 HH22 ARG 33 42.056 0.137 13.207 271 H TYR 34 HN TYR 34 42.717 7.643 8.260 272 HA TYR 34 HA TYR 34 40.176 9.123 8.462 273 1HB TYR 34 HB2 TYR 34 40.686 9.889 10.532 274 2HB TYR 34 HB1 TYR 34 41.756 8.498 10.591 275 HD1 TYR 34 HD1 TYR 34 41.525 12.057 10.743 276 HD2 TYR 34 HD2 TYR 34 44.212 8.856 9.960 277 HE1 TYR 34 HE1 TYR 34 43.421 13.567 11.135 278 HE2 TYR 34 HE2 TYR 34 46.120 10.359 10.353 279 HH TYR 34 HH TYR 34 46.695 12.395 11.353 280 1HN NH2 35 H1 NH2 35 41.676 12.041 7.020 281 2HN NH2 35 H2 NH2 35 40.515 11.549 8.200 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 28.982 6.756 7.366 2 2H ILE 1 HT2 ILE 1 29.083 7.196 5.734 3 3H ILE 1 HT3 ILE 1 30.499 7.055 6.663 4 HA ILE 1 HA ILE 1 30.649 5.065 5.704 5 HB ILE 1 HB ILE 1 28.469 4.412 7.698 6 1HG1 ILE 1 HG12 ILE 1 31.408 4.207 8.260 7 2HG1 ILE 1 HG11 ILE 1 30.588 5.754 8.449 8 1HG2 ILE 1 HG21 ILE 1 29.421 2.713 5.895 9 2HG2 ILE 1 HG22 ILE 1 29.040 2.214 7.542 10 3HG2 ILE 1 HG23 ILE 1 30.709 2.563 7.090 11 1HD1 ILE 1 HD11 ILE 1 29.533 5.108 10.319 12 2HD1 ILE 1 HD12 ILE 1 30.842 3.930 10.404 13 3HD1 ILE 1 HD13 ILE 1 29.279 3.461 9.739 14 H LYS 2 HN LYS 2 27.170 4.774 6.427 15 HA LYS 2 HA LYS 2 26.742 4.106 3.596 16 1HB LYS 2 HB2 LYS 2 25.339 3.298 6.123 17 2HB LYS 2 HB1 LYS 2 24.547 3.157 4.561 18 1HG LYS 2 HG2 LYS 2 26.918 1.956 4.036 19 2HG LYS 2 HG1 LYS 2 26.697 1.544 5.737 20 1HD LYS 2 HD2 LYS 2 24.807 0.989 3.457 21 2HD LYS 2 HD1 LYS 2 25.714 -0.190 4.409 22 1HE LYS 2 HE2 LYS 2 24.341 0.032 6.238 23 2HE LYS 2 HE1 LYS 2 23.858 1.672 5.802 24 1HZ LYS 2 HZ1 LYS 2 23.034 -0.725 4.262 25 2HZ LYS 2 HZ2 LYS 2 22.420 0.853 4.134 26 3HZ LYS 2 HZ3 LYS 2 22.110 -0.072 5.523 27 HA PRO 3 HA PRO 3 24.797 8.168 3.563 28 1HB PRO 3 HB2 PRO 3 24.396 7.562 0.713 29 2HB PRO 3 HB1 PRO 3 25.302 8.880 1.460 30 1HG PRO 3 HG2 PRO 3 26.527 6.848 0.197 31 2HG PRO 3 HG1 PRO 3 27.236 7.637 1.619 32 1HD PRO 3 HD2 PRO 3 25.767 5.030 1.429 33 2HD PRO 3 HD1 PRO 3 27.226 5.437 2.358 34 H GLU 4 HN GLU 4 23.529 5.215 2.164 35 HA GLU 4 HA GLU 4 21.451 4.457 1.720 36 1HB GLU 4 HB2 GLU 4 20.617 6.240 4.009 37 2HB GLU 4 HB1 GLU 4 19.768 4.819 3.416 38 1HG GLU 4 HG2 GLU 4 22.545 4.719 4.550 39 2HG GLU 4 HG1 GLU 4 21.093 4.501 5.523 40 H ALA 5 HN ALA 5 21.579 5.606 -0.272 41 HA ALA 5 HA ALA 5 19.341 7.416 -0.613 42 1HB ALA 5 HB1 ALA 5 21.565 8.527 -2.038 43 2HB ALA 5 HB2 ALA 5 21.944 8.410 -0.318 44 3HB ALA 5 HB3 ALA 5 20.507 9.290 -0.848 45 HA PRO 6 HA PRO 6 20.064 4.517 -4.142 46 1HB PRO 6 HB2 PRO 6 17.423 3.475 -3.777 47 2HB PRO 6 HB1 PRO 6 18.955 2.655 -3.481 48 1HG PRO 6 HG2 PRO 6 17.142 3.358 -1.521 49 2HG PRO 6 HG1 PRO 6 18.865 3.048 -1.245 50 1HD PRO 6 HD2 PRO 6 17.428 5.654 -1.523 51 2HD PRO 6 HD1 PRO 6 18.770 5.216 -0.444 52 H GLY 7 HN GLY 7 19.899 6.665 -5.214 53 1HA GLY 7 HA2 GLY 7 17.158 7.242 -6.158 54 2HA GLY 7 HA1 GLY 7 18.432 8.439 -6.011 55 H GLU 8 HN GLU 8 20.541 7.342 -7.264 56 HA GLU 8 HA GLU 8 19.546 7.259 -10.031 57 1HB GLU 8 HB2 GLU 8 21.875 8.460 -8.687 58 2HB GLU 8 HB1 GLU 8 22.222 7.711 -10.240 59 1HG GLU 8 HG2 GLU 8 21.758 9.927 -10.753 60 2HG GLU 8 HG1 GLU 8 20.273 9.067 -11.147 61 H ASP 9 HN ASP 9 20.698 5.203 -7.706 62 HA ASP 9 HA ASP 9 21.621 3.269 -9.648 63 1HB ASP 9 HB2 ASP 9 23.683 2.802 -8.249 64 2HB ASP 9 HB1 ASP 9 23.709 4.269 -9.212 65 H ALA 10 HN ALA 10 19.713 2.203 -9.020 66 HA ALA 10 HA ALA 10 20.124 0.146 -7.210 67 1HB ALA 10 HB1 ALA 10 19.478 2.317 -5.771 68 2HB ALA 10 HB2 ALA 10 19.096 0.666 -5.288 69 3HB ALA 10 HB3 ALA 10 17.870 1.659 -6.083 70 H SER 11 HN SER 11 18.187 1.995 -9.265 71 HA SER 11 HA SER 11 15.820 0.574 -9.382 72 1HB SER 11 HB2 SER 11 16.608 1.474 -11.996 73 2HB SER 11 HB1 SER 11 15.374 2.136 -10.921 74 HG SER 11 HG SER 11 16.739 3.770 -10.845 75 HA PRO 12 HA PRO 12 17.621 -2.533 -12.468 76 1HB PRO 12 HB2 PRO 12 20.305 -1.913 -13.253 77 2HB PRO 12 HB1 PRO 12 18.849 -1.868 -14.247 78 1HG PRO 12 HG2 PRO 12 20.312 0.350 -13.549 79 2HG PRO 12 HG1 PRO 12 18.592 0.385 -13.980 80 1HD PRO 12 HD2 PRO 12 19.869 0.368 -11.266 81 2HD PRO 12 HD1 PRO 12 18.491 1.325 -11.857 82 H GLU 13 HN GLU 13 18.120 -2.257 -9.681 83 HA GLU 13 HA GLU 13 19.005 -3.397 -7.939 84 1HB GLU 13 HB2 GLU 13 18.921 -5.270 -9.920 85 2HB GLU 13 HB1 GLU 13 20.636 -5.261 -9.538 86 1HG GLU 13 HG2 GLU 13 19.759 -5.432 -7.066 87 2HG GLU 13 HG1 GLU 13 18.325 -6.078 -7.860 88 H GLU 14 HN GLU 14 20.368 -1.216 -9.338 89 HA GLU 14 HA GLU 14 23.141 -1.664 -9.009 90 1HB GLU 14 HB2 GLU 14 21.636 0.937 -9.127 91 2HB GLU 14 HB1 GLU 14 23.383 0.768 -9.243 92 1HG GLU 14 HG2 GLU 14 22.186 -0.945 -11.163 93 2HG GLU 14 HG1 GLU 14 21.460 0.656 -11.305 94 H LEU 15 HN LEU 15 20.674 -1.346 -6.826 95 HA LEU 15 HA LEU 15 21.977 -0.090 -4.656 96 1HB LEU 15 HB2 LEU 15 19.645 -0.390 -4.460 97 2HB LEU 15 HB1 LEU 15 19.739 -2.090 -4.874 98 HG LEU 15 HG LEU 15 21.242 -1.743 -2.502 99 1HD1 LEU 15 HD11 LEU 15 19.012 0.103 -2.698 100 2HD1 LEU 15 HD12 LEU 15 20.290 -0.006 -1.487 101 3HD1 LEU 15 HD13 LEU 15 18.847 -1.010 -1.339 102 1HD2 LEU 15 HD21 LEU 15 20.233 -3.694 -2.208 103 2HD2 LEU 15 HD22 LEU 15 19.163 -3.365 -3.572 104 3HD2 LEU 15 HD23 LEU 15 18.703 -2.859 -1.945 105 H ASN 16 HN ASN 16 22.060 -3.280 -6.038 106 HA ASN 16 HA ASN 16 23.369 -4.602 -3.903 107 1HB ASN 16 HB2 ASN 16 22.503 -5.231 -6.588 108 2HB ASN 16 HB1 ASN 16 24.131 -5.859 -6.309 109 1HD2 ASN 16 HD21 ASN 16 21.092 -5.555 -4.513 110 2HD2 ASN 16 HD22 ASN 16 21.091 -7.170 -3.893 111 H ARG 17 HN ARG 17 24.533 -3.040 -6.867 112 HA ARG 17 HA ARG 17 27.269 -3.355 -6.025 113 1HB ARG 17 HB2 ARG 17 27.912 -2.235 -8.009 114 2HB ARG 17 HB1 ARG 17 26.630 -3.361 -8.430 115 1HG ARG 17 HG2 ARG 17 25.404 -1.721 -9.280 116 2HG ARG 17 HG1 ARG 17 25.525 -0.789 -7.785 117 1HD ARG 17 HD2 ARG 17 27.624 0.155 -8.494 118 2HD ARG 17 HD1 ARG 17 27.642 -0.869 -9.930 119 HE ARG 17 HE ARG 17 25.642 0.377 -10.681 120 1HH1 ARG 17 HH11 ARG 17 27.711 1.818 -8.252 121 2HH1 ARG 17 HH12 ARG 17 27.239 3.446 -8.621 122 1HH2 ARG 17 HH21 ARG 17 25.010 2.519 -11.174 123 2HH2 ARG 17 HH22 ARG 17 25.743 3.849 -10.318 124 H TYR 18 HN TYR 18 24.799 -1.276 -5.169 125 HA TYR 18 HA TYR 18 26.480 0.979 -4.562 126 1HB TYR 18 HB2 TYR 18 24.260 1.663 -4.653 127 2HB TYR 18 HB1 TYR 18 23.658 0.161 -3.968 128 HD1 TYR 18 HD1 TYR 18 25.762 3.083 -2.907 129 HD2 TYR 18 HD2 TYR 18 22.734 0.276 -1.878 130 HE1 TYR 18 HE1 TYR 18 25.482 4.194 -0.732 131 HE2 TYR 18 HE2 TYR 18 22.439 1.378 0.297 132 HH TYR 18 HH TYR 18 23.232 2.929 1.720 133 H TYR 19 HN TYR 19 25.091 -1.809 -2.938 134 HA TYR 19 HA TYR 19 26.372 -1.608 -0.476 135 1HB TYR 19 HB2 TYR 19 25.543 -4.001 -2.124 136 2HB TYR 19 HB1 TYR 19 26.204 -4.156 -0.501 137 HD1 TYR 19 HD1 TYR 19 24.001 -5.387 -0.127 138 HD2 TYR 19 HD2 TYR 19 24.199 -1.212 -0.945 139 HE1 TYR 19 HE1 TYR 19 21.770 -5.093 0.857 140 HE2 TYR 19 HE2 TYR 19 21.962 -0.915 0.039 141 HH TYR 19 HH TYR 19 19.913 -3.557 0.788 142 H ALA 20 HN ALA 20 27.522 -2.717 -3.563 143 HA ALA 20 HA ALA 20 29.869 -4.000 -2.511 144 1HB ALA 20 HB1 ALA 20 28.510 -4.857 -4.427 145 2HB ALA 20 HB2 ALA 20 30.243 -4.733 -4.739 146 3HB ALA 20 HB3 ALA 20 29.137 -3.514 -5.381 147 H SER 21 HN SER 21 29.286 -1.347 -4.862 148 HA SER 21 HA SER 21 32.020 -0.644 -5.014 149 1HB SER 21 HB2 SER 21 31.310 1.266 -6.309 150 2HB SER 21 HB1 SER 21 30.312 -0.110 -6.773 151 HG SER 21 HG SER 21 28.621 0.727 -5.620 152 H LEU 22 HN LEU 22 29.349 0.429 -2.989 153 HA LEU 22 HA LEU 22 30.906 2.524 -1.770 154 1HB LEU 22 HB2 LEU 22 28.619 2.940 -1.636 155 2HB LEU 22 HB1 LEU 22 28.240 1.291 -1.178 156 HG LEU 22 HG LEU 22 29.732 2.091 0.955 157 1HD1 LEU 22 HD11 LEU 22 29.955 4.360 0.240 158 2HD1 LEU 22 HD12 LEU 22 28.813 4.319 1.581 159 3HD1 LEU 22 HD13 LEU 22 28.224 4.486 -0.072 160 1HD2 LEU 22 HD21 LEU 22 27.051 2.832 1.481 161 2HD2 LEU 22 HD22 LEU 22 27.869 1.323 1.887 162 3HD2 LEU 22 HD23 LEU 22 27.020 1.480 0.349 163 H ARG 23 HN ARG 23 30.262 -0.921 -1.133 164 HA ARG 23 HA ARG 23 31.611 -0.895 1.383 165 1HB ARG 23 HB2 ARG 23 30.241 -2.802 0.617 166 2HB ARG 23 HB1 ARG 23 31.468 -3.176 -0.585 167 1HG ARG 23 HG2 ARG 23 32.279 -4.552 0.989 168 2HG ARG 23 HG1 ARG 23 32.971 -3.073 1.673 169 1HD ARG 23 HD2 ARG 23 31.652 -3.188 3.472 170 2HD ARG 23 HD1 ARG 23 30.216 -3.473 2.490 171 HE ARG 23 HE ARG 23 31.907 -5.779 2.726 172 1HH1 ARG 23 HH11 ARG 23 29.345 -3.958 4.269 173 2HH1 ARG 23 HH12 ARG 23 28.744 -5.317 5.172 174 1HH2 ARG 23 HH21 ARG 23 31.133 -7.555 3.888 175 2HH2 ARG 23 HH22 ARG 23 29.767 -7.373 4.954 176 H HIS 24 HN HIS 24 32.742 -1.208 -1.943 177 HA HIS 24 HA HIS 24 35.458 -1.698 -1.194 178 1HB HIS 24 HB2 HIS 24 34.016 -1.686 -3.601 179 2HB HIS 24 HB1 HIS 24 35.220 -0.413 -3.775 180 HD1 HIS 24 HD1 HIS 24 35.073 -4.073 -2.771 181 HD2 HIS 24 HD2 HIS 24 37.662 -1.334 -4.539 182 HE1 HIS 24 HE1 HIS 24 37.103 -5.397 -3.456 183 HE2 HIS 24 HE2 HIS 24 38.716 -3.695 -4.383 184 H TYR 25 HN TYR 25 33.546 1.136 -1.934 185 HA TYR 25 HA TYR 25 35.563 3.076 -1.694 186 1HB TYR 25 HB2 TYR 25 33.520 3.809 -2.585 187 2HB TYR 25 HB1 TYR 25 32.580 3.060 -1.303 188 HD1 TYR 25 HD1 TYR 25 31.653 4.427 0.282 189 HD2 TYR 25 HD2 TYR 25 35.158 5.736 -1.742 190 HE1 TYR 25 HE1 TYR 25 31.486 6.595 1.416 191 HE2 TYR 25 HE2 TYR 25 35.017 7.904 -0.592 192 HH TYR 25 HH TYR 25 33.682 8.598 1.915 193 H LEU 26 HN LEU 26 33.480 1.504 0.675 194 HA LEU 26 HA LEU 26 34.374 2.792 2.990 195 1HB LEU 26 HB2 LEU 26 32.707 0.604 2.334 196 2HB LEU 26 HB1 LEU 26 33.871 0.025 3.509 197 HG LEU 26 HG LEU 26 33.153 2.309 4.693 198 1HD1 LEU 26 HD11 LEU 26 30.727 1.388 3.160 199 2HD1 LEU 26 HD12 LEU 26 31.524 2.958 3.050 200 3HD1 LEU 26 HD13 LEU 26 30.682 2.498 4.530 201 1HD2 LEU 26 HD21 LEU 26 31.578 -0.246 4.923 202 2HD2 LEU 26 HD22 LEU 26 31.818 0.977 6.171 203 3HD2 LEU 26 HD23 LEU 26 33.180 0.005 5.619 204 H ASN 27 HN ASN 27 35.262 -0.414 1.828 205 HA ASN 27 HA ASN 27 37.515 -1.038 3.165 206 1HB ASN 27 HB2 ASN 27 36.880 -2.589 1.541 207 2HB ASN 27 HB1 ASN 27 36.771 -1.375 0.275 208 1HD2 ASN 27 HD21 ASN 27 38.764 -3.658 1.874 209 2HD2 ASN 27 HD22 ASN 27 40.176 -3.436 0.894 210 H LEU 28 HN LEU 28 37.320 1.369 0.555 211 HA LEU 28 HA LEU 28 40.106 1.944 0.592 212 1HB LEU 28 HB2 LEU 28 38.859 2.554 -1.379 213 2HB LEU 28 HB1 LEU 28 37.819 3.601 -0.410 214 HG LEU 28 HG LEU 28 40.276 4.579 0.221 215 1HD1 LEU 28 HD11 LEU 28 40.473 4.323 -2.753 216 2HD1 LEU 28 HD12 LEU 28 41.017 2.979 -1.749 217 3HD1 LEU 28 HD13 LEU 28 41.738 4.575 -1.549 218 1HD2 LEU 28 HD21 LEU 28 37.965 5.382 -1.301 219 2HD2 LEU 28 HD22 LEU 28 39.425 6.057 -2.026 220 3HD2 LEU 28 HD23 LEU 28 39.060 6.362 -0.327 221 H VAL 29 HN VAL 29 37.317 3.748 1.765 222 HA VAL 29 HA VAL 29 38.679 5.968 2.623 223 HB VAL 29 HB VAL 29 36.789 6.541 4.088 224 1HG1 VAL 29 HG11 VAL 29 35.731 5.468 1.503 225 2HG1 VAL 29 HG12 VAL 29 36.867 6.816 1.559 226 3HG1 VAL 29 HG13 VAL 29 35.297 6.951 2.352 227 1HG2 VAL 29 HG21 VAL 29 34.770 4.970 3.892 228 2HG2 VAL 29 HG22 VAL 29 36.039 4.550 5.041 229 3HG2 VAL 29 HG23 VAL 29 35.948 3.726 3.485 230 H THR 30 HN THR 30 38.519 2.891 4.161 231 HA THR 30 HA THR 30 39.367 3.433 6.737 232 HB THR 30 HB THR 30 40.494 1.311 6.731 233 HG1 THR 30 HG1 THR 30 40.253 1.033 3.930 234 1HG2 THR 30 HG21 THR 30 38.797 -0.153 5.797 235 2HG2 THR 30 HG22 THR 30 38.198 1.157 4.777 236 3HG2 THR 30 HG23 THR 30 38.030 1.259 6.531 237 H ARG 31 HN ARG 31 40.945 4.112 3.769 238 HA ARG 31 HA ARG 31 43.619 4.089 4.270 239 1HB ARG 31 HB2 ARG 31 41.899 5.862 2.593 240 2HB ARG 31 HB1 ARG 31 43.624 6.177 2.715 241 1HG ARG 31 HG2 ARG 31 43.544 3.483 2.199 242 2HG ARG 31 HG1 ARG 31 42.199 4.112 1.246 243 1HD ARG 31 HD2 ARG 31 44.661 4.019 0.282 244 2HD ARG 31 HD1 ARG 31 43.549 5.323 -0.126 245 HE ARG 31 HE ARG 31 45.645 5.540 1.943 246 1HH1 ARG 31 HH11 ARG 31 43.730 6.896 -0.656 247 2HH1 ARG 31 HH12 ARG 31 44.455 8.470 -0.545 248 1HH2 ARG 31 HH21 ARG 31 46.614 7.596 2.092 249 2HH2 ARG 31 HH22 ARG 31 46.122 8.862 0.995 250 H GLN 32 HN GLN 32 41.636 7.037 4.596 251 HA GLN 32 HA GLN 32 43.631 8.157 6.388 252 1HB GLN 32 HB2 GLN 32 41.398 9.874 6.324 253 2HB GLN 32 HB1 GLN 32 42.946 10.091 5.525 254 1HG GLN 32 HG2 GLN 32 41.292 10.368 3.879 255 2HG GLN 32 HG1 GLN 32 42.009 8.786 3.592 256 1HE2 GLN 32 HE21 GLN 32 39.614 9.673 6.050 257 2HE2 GLN 32 HE22 GLN 32 38.378 8.619 5.455 258 H ARG 33 HN ARG 33 40.303 7.051 6.453 259 HA ARG 33 HA ARG 33 38.913 6.408 8.102 260 1HB ARG 33 HB2 ARG 33 41.423 5.919 9.234 261 2HB ARG 33 HB1 ARG 33 40.521 6.794 10.465 262 1HG ARG 33 HG2 ARG 33 39.610 4.844 11.011 263 2HG ARG 33 HG1 ARG 33 38.695 4.966 9.507 264 1HD ARG 33 HD2 ARG 33 39.643 2.943 9.134 265 2HD ARG 33 HD1 ARG 33 40.960 3.948 8.530 266 HE ARG 33 HE ARG 33 40.902 2.852 11.276 267 1HH1 ARG 33 HH11 ARG 33 42.579 3.525 8.266 268 2HH1 ARG 33 HH12 ARG 33 44.114 2.944 8.844 269 1HH2 ARG 33 HH21 ARG 33 42.951 2.128 12.048 270 2HH2 ARG 33 HH22 ARG 33 44.327 2.165 10.980 271 H TYR 34 HN TYR 34 40.966 9.121 9.170 272 HA TYR 34 HA TYR 34 38.764 10.418 10.488 273 1HB TYR 34 HB2 TYR 34 40.295 12.247 10.900 274 2HB TYR 34 HB1 TYR 34 41.126 10.731 11.222 275 HD1 TYR 34 HD1 TYR 34 40.940 13.654 9.016 276 HD2 TYR 34 HD2 TYR 34 42.948 9.988 9.799 277 HE1 TYR 34 HE1 TYR 34 42.752 14.333 7.498 278 HE2 TYR 34 HE2 TYR 34 44.765 10.649 8.283 279 HH TYR 34 HH TYR 34 44.610 12.712 6.021 280 1HN NH2 35 H1 NH2 35 37.834 12.934 8.130 281 2HN NH2 35 H2 NH2 35 38.013 12.623 9.820 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 21.122 3.716 3.830 2 2H ILE 1 HT2 ILE 1 21.110 2.030 3.979 3 3H ILE 1 HT3 ILE 1 21.925 2.761 2.683 4 HA ILE 1 HA ILE 1 22.725 2.410 5.445 5 HB ILE 1 HB ILE 1 23.673 1.343 3.262 6 1HG1 ILE 1 HG12 ILE 1 26.041 2.185 4.671 7 2HG1 ILE 1 HG11 ILE 1 24.739 1.858 5.809 8 1HG2 ILE 1 HG21 ILE 1 24.144 3.171 1.895 9 2HG2 ILE 1 HG22 ILE 1 25.719 2.653 2.491 10 3HG2 ILE 1 HG23 ILE 1 24.931 4.061 3.198 11 1HD1 ILE 1 HD11 ILE 1 25.643 -0.054 3.671 12 2HD1 ILE 1 HD12 ILE 1 24.481 -0.368 4.961 13 3HD1 ILE 1 HD13 ILE 1 26.182 -0.098 5.349 14 H LYS 2 HN LYS 2 24.946 3.845 5.754 15 HA LYS 2 HA LYS 2 23.985 6.215 6.748 16 1HB LYS 2 HB2 LYS 2 26.139 4.994 7.341 17 2HB LYS 2 HB1 LYS 2 26.877 5.874 6.009 18 1HG LYS 2 HG2 LYS 2 27.178 7.640 7.303 19 2HG LYS 2 HG1 LYS 2 25.451 7.718 7.653 20 1HD LYS 2 HD2 LYS 2 27.178 5.729 9.075 21 2HD LYS 2 HD1 LYS 2 27.150 7.411 9.606 22 1HE LYS 2 HE2 LYS 2 25.278 6.994 10.735 23 2HE LYS 2 HE1 LYS 2 24.469 6.622 9.213 24 1HZ LYS 2 HZ1 LYS 2 24.796 4.376 9.479 25 2HZ LYS 2 HZ2 LYS 2 24.546 4.861 11.085 26 3HZ LYS 2 HZ3 LYS 2 26.119 4.565 10.525 27 HA PRO 3 HA PRO 3 25.728 8.882 3.165 28 1HB PRO 3 HB2 PRO 3 26.736 7.751 0.943 29 2HB PRO 3 HB1 PRO 3 27.720 8.011 2.390 30 1HG PRO 3 HG2 PRO 3 26.337 5.517 1.468 31 2HG PRO 3 HG1 PRO 3 27.995 5.713 2.069 32 1HD PRO 3 HD2 PRO 3 25.985 4.814 3.637 33 2HD PRO 3 HD1 PRO 3 27.323 5.794 4.270 34 H GLU 4 HN GLU 4 23.171 7.980 3.436 35 HA GLU 4 HA GLU 4 21.136 8.103 2.464 36 1HB GLU 4 HB2 GLU 4 22.525 9.141 -0.006 37 2HB GLU 4 HB1 GLU 4 20.863 9.426 0.491 38 1HG GLU 4 HG2 GLU 4 22.409 10.341 2.614 39 2HG GLU 4 HG1 GLU 4 23.266 10.867 1.166 40 H ALA 5 HN ALA 5 20.433 7.785 -0.310 41 HA ALA 5 HA ALA 5 21.390 5.173 -1.100 42 1HB ALA 5 HB1 ALA 5 18.920 5.509 0.404 43 2HB ALA 5 HB2 ALA 5 19.825 4.043 0.027 44 3HB ALA 5 HB3 ALA 5 18.676 4.696 -1.140 45 HA PRO 6 HA PRO 6 20.467 7.100 -5.058 46 1HB PRO 6 HB2 PRO 6 20.849 4.302 -5.977 47 2HB PRO 6 HB1 PRO 6 21.640 5.784 -6.525 48 1HG PRO 6 HG2 PRO 6 22.954 4.031 -5.008 49 2HG PRO 6 HG1 PRO 6 23.165 5.778 -4.781 50 1HD PRO 6 HD2 PRO 6 21.547 3.839 -3.175 51 2HD PRO 6 HD1 PRO 6 22.570 5.182 -2.623 52 H GLY 7 HN GLY 7 18.811 6.949 -6.641 53 1HA GLY 7 HA2 GLY 7 16.625 5.085 -6.005 54 2HA GLY 7 HA1 GLY 7 16.303 6.808 -6.142 55 H GLU 8 HN GLU 8 15.840 4.105 -7.707 56 HA GLU 8 HA GLU 8 15.196 3.579 -9.800 57 1HB GLU 8 HB2 GLU 8 15.707 6.503 -10.283 58 2HB GLU 8 HB1 GLU 8 15.214 5.419 -11.577 59 1HG GLU 8 HG2 GLU 8 13.678 5.981 -9.048 60 2HG GLU 8 HG1 GLU 8 13.308 6.604 -10.657 61 H ASP 9 HN ASP 9 18.232 4.396 -8.907 62 HA ASP 9 HA ASP 9 19.234 2.785 -11.141 63 1HB ASP 9 HB2 ASP 9 21.412 3.917 -10.985 64 2HB ASP 9 HB1 ASP 9 20.139 5.051 -11.403 65 H ALA 10 HN ALA 10 18.260 1.387 -9.349 66 HA ALA 10 HA ALA 10 19.948 -0.059 -7.804 67 1HB ALA 10 HB1 ALA 10 18.884 1.289 -5.586 68 2HB ALA 10 HB2 ALA 10 19.518 2.555 -6.635 69 3HB ALA 10 HB3 ALA 10 20.574 1.250 -6.093 70 H SER 11 HN SER 11 17.588 -0.176 -9.380 71 HA SER 11 HA SER 11 15.413 -0.538 -7.456 72 1HB SER 11 HB2 SER 11 14.785 -0.472 -10.323 73 2HB SER 11 HB1 SER 11 13.975 0.333 -8.974 74 HG SER 11 HG SER 11 15.723 1.349 -10.715 75 HA PRO 12 HA PRO 12 15.171 -4.664 -9.956 76 1HB PRO 12 HB2 PRO 12 17.174 -4.971 -11.821 77 2HB PRO 12 HB1 PRO 12 15.513 -4.519 -12.216 78 1HG PRO 12 HG2 PRO 12 17.919 -2.778 -11.875 79 2HG PRO 12 HG1 PRO 12 16.650 -2.696 -13.113 80 1HD PRO 12 HD2 PRO 12 16.675 -1.030 -11.041 81 2HD PRO 12 HD1 PRO 12 15.144 -1.695 -11.656 82 H GLU 13 HN GLU 13 18.485 -3.363 -10.218 83 HA GLU 13 HA GLU 13 19.315 -4.123 -7.696 84 1HB GLU 13 HB2 GLU 13 20.938 -6.048 -8.540 85 2HB GLU 13 HB1 GLU 13 19.325 -6.397 -7.941 86 1HG GLU 13 HG2 GLU 13 19.690 -7.691 -9.896 87 2HG GLU 13 HG1 GLU 13 18.528 -6.431 -10.301 88 H GLU 14 HN GLU 14 19.801 -2.044 -9.793 89 HA GLU 14 HA GLU 14 22.660 -2.056 -10.020 90 1HB GLU 14 HB2 GLU 14 20.964 0.432 -9.803 91 2HB GLU 14 HB1 GLU 14 22.514 0.247 -10.610 92 1HG GLU 14 HG2 GLU 14 21.246 0.171 -12.454 93 2HG GLU 14 HG1 GLU 14 21.034 -1.522 -11.999 94 H LEU 15 HN LEU 15 20.458 -1.793 -7.554 95 HA LEU 15 HA LEU 15 21.687 -0.263 -5.577 96 1HB LEU 15 HB2 LEU 15 19.424 -1.082 -5.399 97 2HB LEU 15 HB1 LEU 15 19.974 -2.745 -5.450 98 HG LEU 15 HG LEU 15 21.266 -1.586 -3.245 99 1HD1 LEU 15 HD11 LEU 15 18.365 -0.802 -3.439 100 2HD1 LEU 15 HD12 LEU 15 19.751 0.265 -3.226 101 3HD1 LEU 15 HD13 LEU 15 19.277 -0.836 -1.933 102 1HD2 LEU 15 HD21 LEU 15 18.864 -3.093 -2.629 103 2HD2 LEU 15 HD22 LEU 15 20.557 -3.498 -2.337 104 3HD2 LEU 15 HD23 LEU 15 19.818 -3.848 -3.903 105 H ASN 16 HN ASN 16 22.392 -3.431 -6.815 106 HA ASN 16 HA ASN 16 23.964 -4.421 -4.720 107 1HB ASN 16 HB2 ASN 16 23.261 -5.240 -7.317 108 2HB ASN 16 HB1 ASN 16 25.024 -5.202 -7.287 109 1HD2 ASN 16 HD21 ASN 16 22.380 -6.146 -5.108 110 2HD2 ASN 16 HD22 ASN 16 23.097 -7.649 -4.629 111 H ARG 17 HN ARG 17 24.789 -2.410 -7.522 112 HA ARG 17 HA ARG 17 27.546 -2.215 -6.725 113 1HB ARG 17 HB2 ARG 17 26.128 -0.424 -8.675 114 2HB ARG 17 HB1 ARG 17 27.855 -0.711 -8.526 115 1HG ARG 17 HG2 ARG 17 27.757 -2.431 -9.913 116 2HG ARG 17 HG1 ARG 17 26.453 -3.177 -8.989 117 1HD ARG 17 HD2 ARG 17 24.917 -1.485 -10.138 118 2HD ARG 17 HD1 ARG 17 26.262 -1.199 -11.241 119 HE ARG 17 HE ARG 17 24.617 -3.595 -11.060 120 1HH1 ARG 17 HH11 ARG 17 27.485 -2.064 -12.390 121 2HH1 ARG 17 HH12 ARG 17 27.658 -3.238 -13.664 122 1HH2 ARG 17 HH21 ARG 17 24.837 -5.105 -12.712 123 2HH2 ARG 17 HH22 ARG 17 26.153 -4.979 -13.842 124 H TYR 18 HN TYR 18 24.647 -0.708 -5.799 125 HA TYR 18 HA TYR 18 25.654 1.817 -5.024 126 1HB TYR 18 HB2 TYR 18 23.344 1.776 -4.899 127 2HB TYR 18 HB1 TYR 18 23.294 0.117 -4.351 128 HD1 TYR 18 HD1 TYR 18 21.334 1.228 -3.099 129 HD2 TYR 18 HD2 TYR 18 25.407 2.009 -2.153 130 HE1 TYR 18 HE1 TYR 18 20.659 2.043 -0.886 131 HE2 TYR 18 HE2 TYR 18 24.755 2.770 0.082 132 HH TYR 18 HH TYR 18 22.233 3.898 0.946 133 H TYR 19 HN TYR 19 25.280 -1.282 -3.350 134 HA TYR 19 HA TYR 19 26.905 -0.355 -1.153 135 1HB TYR 19 HB2 TYR 19 25.821 -3.111 -1.691 136 2HB TYR 19 HB1 TYR 19 26.500 -2.536 -0.173 137 HD1 TYR 19 HD1 TYR 19 23.571 -2.702 -2.263 138 HD2 TYR 19 HD2 TYR 19 25.279 -0.734 1.108 139 HE1 TYR 19 HE1 TYR 19 21.328 -1.993 -1.523 140 HE2 TYR 19 HE2 TYR 19 23.045 -0.045 1.853 141 HH TYR 19 HH TYR 19 20.257 -0.367 -0.134 142 H ALA 20 HN ALA 20 27.557 -1.722 -4.151 143 HA ALA 20 HA ALA 20 29.957 -3.126 -3.366 144 1HB ALA 20 HB1 ALA 20 28.976 -2.355 -6.111 145 2HB ALA 20 HB2 ALA 20 28.594 -3.863 -5.282 146 3HB ALA 20 HB3 ALA 20 30.261 -3.507 -5.743 147 H SER 21 HN SER 21 29.192 -0.243 -5.312 148 HA SER 21 HA SER 21 31.839 0.728 -5.414 149 1HB SER 21 HB2 SER 21 29.163 1.674 -6.152 150 2HB SER 21 HB1 SER 21 30.214 2.976 -5.581 151 HG SER 21 HG SER 21 31.025 2.897 -7.513 152 H LEU 22 HN LEU 22 29.150 1.161 -3.170 153 HA LEU 22 HA LEU 22 30.478 3.002 -1.462 154 1HB LEU 22 HB2 LEU 22 28.258 2.996 -0.966 155 2HB LEU 22 HB1 LEU 22 28.073 1.286 -1.297 156 HG LEU 22 HG LEU 22 29.460 1.057 0.950 157 1HD1 LEU 22 HD11 LEU 22 28.713 2.797 2.553 158 2HD1 LEU 22 HD12 LEU 22 28.130 3.748 1.188 159 3HD1 LEU 22 HD13 LEU 22 29.852 3.388 1.342 160 1HD2 LEU 22 HD21 LEU 22 26.670 1.811 1.476 161 2HD2 LEU 22 HD22 LEU 22 27.536 0.316 1.835 162 3HD2 LEU 22 HD23 LEU 22 26.913 0.605 0.211 163 H ARG 23 HN ARG 23 30.408 -0.528 -1.688 164 HA ARG 23 HA ARG 23 31.855 -0.950 0.723 165 1HB ARG 23 HB2 ARG 23 30.570 -2.716 -0.503 166 2HB ARG 23 HB1 ARG 23 31.880 -2.767 -1.676 167 1HG ARG 23 HG2 ARG 23 33.244 -3.001 0.664 168 2HG ARG 23 HG1 ARG 23 31.740 -3.857 1.033 169 1HD ARG 23 HD2 ARG 23 32.051 -5.210 -1.012 170 2HD ARG 23 HD1 ARG 23 33.589 -4.393 -1.288 171 HE ARG 23 HE ARG 23 33.657 -5.458 1.281 172 1HH1 ARG 23 HH11 ARG 23 33.523 -6.611 -2.029 173 2HH1 ARG 23 HH12 ARG 23 34.305 -8.124 -1.660 174 1HH2 ARG 23 HH21 ARG 23 34.682 -7.415 1.767 175 2HH2 ARG 23 HH22 ARG 23 34.979 -8.574 0.501 176 H HIS 24 HN HIS 24 32.888 -0.343 -2.603 177 HA HIS 24 HA HIS 24 35.647 -0.801 -2.111 178 1HB HIS 24 HB2 HIS 24 34.285 -0.333 -4.369 179 2HB HIS 24 HB1 HIS 24 34.868 1.303 -4.070 180 HD1 HIS 24 HD1 HIS 24 35.793 -0.757 -6.405 181 HD2 HIS 24 HD2 HIS 24 37.891 0.268 -2.954 182 HE1 HIS 24 HE1 HIS 24 38.211 -1.229 -6.905 183 HE2 HIS 24 HE2 HIS 24 39.430 -0.778 -4.748 184 H TYR 25 HN TYR 25 33.532 1.979 -1.781 185 HA TYR 25 HA TYR 25 35.466 3.845 -0.942 186 1HB TYR 25 HB2 TYR 25 33.494 4.886 -1.482 187 2HB TYR 25 HB1 TYR 25 32.503 3.600 -0.813 188 HD1 TYR 25 HD1 TYR 25 31.246 4.124 1.035 189 HD2 TYR 25 HD2 TYR 25 34.898 6.209 0.400 190 HE1 TYR 25 HE1 TYR 25 30.799 5.495 3.015 191 HE2 TYR 25 HE2 TYR 25 34.467 7.576 2.395 192 HH TYR 25 HH TYR 25 32.711 8.278 3.794 193 H LEU 26 HN LEU 26 33.418 1.569 0.857 194 HA LEU 26 HA LEU 26 34.299 2.224 3.441 195 1HB LEU 26 HB2 LEU 26 33.238 -0.359 2.311 196 2HB LEU 26 HB1 LEU 26 33.557 -0.114 4.017 197 HG LEU 26 HG LEU 26 31.616 1.536 2.406 198 1HD1 LEU 26 HD11 LEU 26 31.079 -0.952 2.735 199 2HD1 LEU 26 HD12 LEU 26 29.860 0.233 3.201 200 3HD1 LEU 26 HD13 LEU 26 30.859 -0.533 4.435 201 1HD2 LEU 26 HD21 LEU 26 30.804 2.024 4.800 202 2HD2 LEU 26 HD22 LEU 26 32.255 2.840 4.223 203 3HD2 LEU 26 HD23 LEU 26 32.396 1.449 5.297 204 H ASN 27 HN ASN 27 35.371 -0.248 1.175 205 HA ASN 27 HA ASN 27 37.459 -1.346 2.659 206 1HB ASN 27 HB2 ASN 27 36.401 -1.743 0.144 207 2HB ASN 27 HB1 ASN 27 38.021 -1.144 -0.208 208 1HD2 ASN 27 HD21 ASN 27 39.768 -2.396 0.239 209 2HD2 ASN 27 HD22 ASN 27 39.663 -4.037 0.782 210 H LEU 28 HN LEU 28 37.313 1.613 0.780 211 HA LEU 28 HA LEU 28 40.113 2.127 0.853 212 1HB LEU 28 HB2 LEU 28 38.697 3.250 -0.789 213 2HB LEU 28 HB1 LEU 28 37.810 4.025 0.521 214 HG LEU 28 HG LEU 28 40.292 4.814 1.143 215 1HD1 LEU 28 HD11 LEU 28 41.438 5.515 -0.916 216 2HD1 LEU 28 HD12 LEU 28 40.236 4.645 -1.873 217 3HD1 LEU 28 HD13 LEU 28 41.314 3.761 -0.793 218 1HD2 LEU 28 HD21 LEU 28 39.542 6.813 -0.553 219 2HD2 LEU 28 HD22 LEU 28 38.919 6.585 1.081 220 3HD2 LEU 28 HD23 LEU 28 38.016 5.968 -0.301 221 H VAL 29 HN VAL 29 37.418 3.613 2.527 222 HA VAL 29 HA VAL 29 38.879 5.357 4.055 223 HB VAL 29 HB VAL 29 36.954 5.497 5.609 224 1HG1 VAL 29 HG11 VAL 29 35.767 6.749 4.130 225 2HG1 VAL 29 HG12 VAL 29 35.797 5.501 2.884 226 3HG1 VAL 29 HG13 VAL 29 37.225 6.492 3.174 227 1HG2 VAL 29 HG21 VAL 29 35.372 3.930 5.746 228 2HG2 VAL 29 HG22 VAL 29 36.417 2.911 4.752 229 3HG2 VAL 29 HG23 VAL 29 35.163 3.896 3.994 230 H THR 30 HN THR 30 38.134 1.998 4.694 231 HA THR 30 HA THR 30 38.892 2.042 7.436 232 HB THR 30 HB THR 30 37.389 0.327 6.421 233 HG1 THR 30 HG1 THR 30 39.711 -0.736 7.704 234 1HG2 THR 30 HG21 THR 30 39.944 -0.869 5.355 235 2HG2 THR 30 HG22 THR 30 38.748 -0.024 4.369 236 3HG2 THR 30 HG23 THR 30 38.313 -1.524 5.192 237 H ARG 31 HN ARG 31 40.749 2.302 4.648 238 HA ARG 31 HA ARG 31 43.050 0.826 5.313 239 1HB ARG 31 HB2 ARG 31 42.448 3.142 3.562 240 2HB ARG 31 HB1 ARG 31 44.130 2.905 4.011 241 1HG ARG 31 HG2 ARG 31 44.268 0.871 2.904 242 2HG ARG 31 HG1 ARG 31 42.518 0.649 2.890 243 1HD ARG 31 HD2 ARG 31 42.226 1.971 1.072 244 2HD ARG 31 HD1 ARG 31 43.567 3.033 1.497 245 HE ARG 31 HE ARG 31 43.805 0.422 0.145 246 1HH1 ARG 31 HH11 ARG 31 45.216 3.487 1.114 247 2HH1 ARG 31 HH12 ARG 31 46.533 3.374 -0.017 248 1HH2 ARG 31 HH21 ARG 31 45.546 0.260 -1.309 249 2HH2 ARG 31 HH22 ARG 31 46.731 1.527 -1.376 250 H GLN 32 HN GLN 32 41.986 4.070 6.150 251 HA GLN 32 HA GLN 32 44.215 4.234 8.070 252 1HB GLN 32 HB2 GLN 32 43.272 6.853 7.553 253 2HB GLN 32 HB1 GLN 32 44.839 6.168 7.158 254 1HG GLN 32 HG2 GLN 32 43.980 7.077 5.169 255 2HG GLN 32 HG1 GLN 32 43.822 5.330 5.021 256 1HE2 GLN 32 HE21 GLN 32 41.709 7.419 6.920 257 2HE2 GLN 32 HE22 GLN 32 40.304 7.173 5.939 258 H ARG 33 HN ARG 33 40.828 4.895 7.435 259 HA ARG 33 HA ARG 33 39.126 5.710 8.686 260 1HB ARG 33 HB2 ARG 33 40.750 4.247 10.745 261 2HB ARG 33 HB1 ARG 33 39.361 5.198 11.246 262 1HG ARG 33 HG2 ARG 33 38.223 3.304 10.917 263 2HG ARG 33 HG1 ARG 33 38.303 3.748 9.210 264 1HD ARG 33 HD2 ARG 33 39.015 1.495 9.350 265 2HD ARG 33 HD1 ARG 33 40.465 2.462 9.093 266 HE ARG 33 HE ARG 33 39.694 1.632 11.812 267 1HH1 ARG 33 HH11 ARG 33 41.971 1.532 9.142 268 2HH1 ARG 33 HH12 ARG 33 43.246 0.847 10.096 269 1HH2 ARG 33 HH21 ARG 33 41.361 0.699 13.050 270 2HH2 ARG 33 HH22 ARG 33 42.904 0.356 12.310 271 H TYR 34 HN TYR 34 40.262 6.414 11.661 272 HA TYR 34 HA TYR 34 42.057 8.532 11.285 273 1HB TYR 34 HB2 TYR 34 39.332 9.247 10.774 274 2HB TYR 34 HB1 TYR 34 39.859 10.050 12.249 275 HD1 TYR 34 HD1 TYR 34 42.691 10.568 11.705 276 HD2 TYR 34 HD2 TYR 34 39.320 10.901 9.130 277 HE1 TYR 34 HE1 TYR 34 43.892 12.240 10.360 278 HE2 TYR 34 HE2 TYR 34 40.510 12.577 7.784 279 HH TYR 34 HH TYR 34 43.898 13.378 8.415 280 1HN NH2 35 H1 NH2 35 42.101 7.203 14.627 281 2HN NH2 35 H2 NH2 35 42.579 6.824 13.009 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 21.160 2.162 5.933 2 2H ILE 1 HT2 ILE 1 20.828 1.774 4.314 3 3H ILE 1 HT3 ILE 1 21.086 3.390 4.767 4 HA ILE 1 HA ILE 1 23.173 1.377 5.235 5 HB ILE 1 HB ILE 1 22.328 1.351 2.810 6 1HG1 ILE 1 HG12 ILE 1 24.725 1.447 1.907 7 2HG1 ILE 1 HG11 ILE 1 25.206 1.856 3.552 8 1HG2 ILE 1 HG21 ILE 1 23.971 3.662 2.124 9 2HG2 ILE 1 HG22 ILE 1 22.489 4.057 2.996 10 3HG2 ILE 1 HG23 ILE 1 22.409 3.139 1.492 11 1HD1 ILE 1 HD11 ILE 1 25.328 -0.591 2.829 12 2HD1 ILE 1 HD12 ILE 1 23.570 -0.582 2.963 13 3HD1 ILE 1 HD13 ILE 1 24.565 -0.231 4.378 14 H LYS 2 HN LYS 2 25.310 2.921 4.391 15 HA LYS 2 HA LYS 2 25.460 4.731 6.557 16 1HB LYS 2 HB2 LYS 2 27.309 3.738 4.503 17 2HB LYS 2 HB1 LYS 2 27.649 5.372 5.047 18 1HG LYS 2 HG2 LYS 2 28.288 2.914 6.303 19 2HG LYS 2 HG1 LYS 2 28.678 4.551 6.820 20 1HD LYS 2 HD2 LYS 2 25.930 3.952 7.420 21 2HD LYS 2 HD1 LYS 2 26.982 2.705 8.086 22 1HE LYS 2 HE2 LYS 2 28.023 4.148 9.515 23 2HE LYS 2 HE1 LYS 2 27.772 5.542 8.462 24 1HZ LYS 2 HZ1 LYS 2 25.449 5.567 9.095 25 2HZ LYS 2 HZ2 LYS 2 26.431 5.667 10.473 26 3HZ LYS 2 HZ3 LYS 2 25.669 4.201 10.078 27 HA PRO 3 HA PRO 3 24.914 8.311 3.497 28 1HB PRO 3 HB2 PRO 3 24.917 7.456 0.749 29 2HB PRO 3 HB1 PRO 3 26.081 8.501 1.562 30 1HG PRO 3 HG2 PRO 3 26.651 5.981 0.620 31 2HG PRO 3 HG1 PRO 3 27.547 6.791 1.915 32 1HD PRO 3 HD2 PRO 3 25.402 4.716 2.102 33 2HD PRO 3 HD1 PRO 3 26.895 4.888 3.052 34 H GLU 4 HN GLU 4 23.314 8.638 1.213 35 HA GLU 4 HA GLU 4 20.827 7.412 2.090 36 1HB GLU 4 HB2 GLU 4 21.316 9.435 -0.103 37 2HB GLU 4 HB1 GLU 4 19.746 8.940 0.516 38 1HG GLU 4 HG2 GLU 4 21.358 9.816 2.697 39 2HG GLU 4 HG1 GLU 4 21.404 11.031 1.423 40 H ALA 5 HN ALA 5 19.448 6.223 0.670 41 HA ALA 5 HA ALA 5 20.976 4.680 -1.290 42 1HB ALA 5 HB1 ALA 5 18.760 3.285 -1.198 43 2HB ALA 5 HB2 ALA 5 18.511 4.173 0.306 44 3HB ALA 5 HB3 ALA 5 19.948 3.170 0.100 45 HA PRO 6 HA PRO 6 18.993 6.733 -4.703 46 1HB PRO 6 HB2 PRO 6 19.588 4.296 -6.237 47 2HB PRO 6 HB1 PRO 6 20.181 5.941 -6.474 48 1HG PRO 6 HG2 PRO 6 21.773 3.980 -5.560 49 2HG PRO 6 HG1 PRO 6 21.941 5.659 -5.007 50 1HD PRO 6 HD2 PRO 6 20.627 3.336 -3.644 51 2HD PRO 6 HD1 PRO 6 21.674 4.598 -2.957 52 H GLY 7 HN GLY 7 17.343 6.178 -6.455 53 1HA GLY 7 HA2 GLY 7 15.281 4.491 -5.186 54 2HA GLY 7 HA1 GLY 7 14.949 5.894 -6.184 55 H GLU 8 HN GLU 8 15.417 5.760 -8.459 56 HA GLU 8 HA GLU 8 14.673 3.162 -9.504 57 1HB GLU 8 HB2 GLU 8 14.473 5.904 -10.359 58 2HB GLU 8 HB1 GLU 8 15.198 4.927 -11.630 59 1HG GLU 8 HG2 GLU 8 13.023 3.458 -10.623 60 2HG GLU 8 HG1 GLU 8 12.471 5.119 -10.840 61 H ASP 9 HN ASP 9 17.451 4.951 -8.973 62 HA ASP 9 HA ASP 9 19.093 3.524 -10.906 63 1HB ASP 9 HB2 ASP 9 20.710 5.072 -9.165 64 2HB ASP 9 HB1 ASP 9 20.286 5.438 -10.833 65 H ALA 10 HN ALA 10 18.117 1.644 -9.467 66 HA ALA 10 HA ALA 10 19.990 0.479 -7.819 67 1HB ALA 10 HB1 ALA 10 18.605 2.558 -6.495 68 2HB ALA 10 HB2 ALA 10 19.734 1.392 -5.803 69 3HB ALA 10 HB3 ALA 10 18.006 1.032 -5.844 70 H SER 11 HN SER 11 16.802 0.959 -8.860 71 HA SER 11 HA SER 11 15.374 -1.116 -7.774 72 1HB SER 11 HB2 SER 11 14.963 -0.311 -10.602 73 2HB SER 11 HB1 SER 11 13.752 -0.663 -9.360 74 HG SER 11 HG SER 11 14.460 1.288 -8.306 75 HA PRO 12 HA PRO 12 16.297 -4.001 -11.615 76 1HB PRO 12 HB2 PRO 12 18.757 -3.379 -12.754 77 2HB PRO 12 HB1 PRO 12 17.186 -3.009 -13.465 78 1HG PRO 12 HG2 PRO 12 19.003 -1.261 -11.861 79 2HG PRO 12 HG1 PRO 12 18.047 -0.856 -13.301 80 1HD PRO 12 HD2 PRO 12 17.238 -0.118 -10.885 81 2HD PRO 12 HD1 PRO 12 16.067 -0.716 -12.080 82 H GLU 13 HN GLU 13 19.167 -2.476 -10.308 83 HA GLU 13 HA GLU 13 19.517 -3.881 -8.043 84 1HB GLU 13 HB2 GLU 13 21.007 -5.709 -8.404 85 2HB GLU 13 HB1 GLU 13 19.686 -5.928 -9.542 86 1HG GLU 13 HG2 GLU 13 21.858 -4.397 -10.693 87 2HG GLU 13 HG1 GLU 13 22.394 -5.968 -10.103 88 H GLU 14 HN GLU 14 20.155 -1.373 -9.472 89 HA GLU 14 HA GLU 14 23.010 -1.148 -9.460 90 1HB GLU 14 HB2 GLU 14 20.986 1.088 -9.301 91 2HB GLU 14 HB1 GLU 14 22.660 1.209 -9.829 92 1HG GLU 14 HG2 GLU 14 22.055 -0.350 -11.709 93 2HG GLU 14 HG1 GLU 14 20.371 -0.138 -11.233 94 H LEU 15 HN LEU 15 20.615 -1.283 -7.106 95 HA LEU 15 HA LEU 15 21.829 0.258 -5.054 96 1HB LEU 15 HB2 LEU 15 19.452 -0.493 -5.065 97 2HB LEU 15 HB1 LEU 15 20.005 -2.136 -4.808 98 HG LEU 15 HG LEU 15 21.187 -0.982 -2.703 99 1HD1 LEU 15 HD11 LEU 15 20.355 0.980 -2.056 100 2HD1 LEU 15 HD12 LEU 15 18.698 0.466 -2.369 101 3HD1 LEU 15 HD13 LEU 15 19.679 1.118 -3.679 102 1HD2 LEU 15 HD21 LEU 15 19.379 -2.853 -2.975 103 2HD2 LEU 15 HD22 LEU 15 18.278 -1.578 -2.453 104 3HD2 LEU 15 HD23 LEU 15 19.620 -2.063 -1.417 105 H ASN 16 HN ASN 16 22.093 -3.094 -6.121 106 HA ASN 16 HA ASN 16 23.566 -4.021 -3.898 107 1HB ASN 16 HB2 ASN 16 22.566 -5.139 -6.294 108 2HB ASN 16 HB1 ASN 16 24.295 -5.482 -6.250 109 1HD2 ASN 16 HD21 ASN 16 21.348 -5.645 -4.335 110 2HD2 ASN 16 HD22 ASN 16 21.809 -7.039 -3.413 111 H ARG 17 HN ARG 17 24.593 -2.786 -7.077 112 HA ARG 17 HA ARG 17 27.367 -3.026 -6.365 113 1HB ARG 17 HB2 ARG 17 26.309 -1.288 -8.568 114 2HB ARG 17 HB1 ARG 17 27.920 -1.964 -8.380 115 1HG ARG 17 HG2 ARG 17 26.713 -4.252 -8.546 116 2HG ARG 17 HG1 ARG 17 25.395 -3.314 -9.253 117 1HD ARG 17 HD2 ARG 17 26.452 -3.243 -11.206 118 2HD ARG 17 HD1 ARG 17 27.870 -2.519 -10.448 119 HE ARG 17 HE ARG 17 27.436 -5.439 -10.498 120 1HH1 ARG 17 HH11 ARG 17 29.458 -2.629 -11.079 121 2HH1 ARG 17 HH12 ARG 17 30.885 -3.573 -11.399 122 1HH2 ARG 17 HH21 ARG 17 29.295 -6.671 -10.932 123 2HH2 ARG 17 HH22 ARG 17 30.786 -5.873 -11.345 124 H TYR 18 HN TYR 18 24.912 -0.780 -5.655 125 HA TYR 18 HA TYR 18 26.704 1.419 -5.220 126 1HB TYR 18 HB2 TYR 18 24.515 2.177 -5.460 127 2HB TYR 18 HB1 TYR 18 23.838 0.829 -4.555 128 HD1 TYR 18 HD1 TYR 18 22.843 1.431 -2.598 129 HD2 TYR 18 HD2 TYR 18 26.281 3.593 -3.862 130 HE1 TYR 18 HE1 TYR 18 22.692 2.829 -0.592 131 HE2 TYR 18 HE2 TYR 18 26.143 5.002 -1.849 132 HH TYR 18 HH TYR 18 23.648 5.493 -0.131 133 H TYR 19 HN TYR 19 25.159 -1.130 -3.377 134 HA TYR 19 HA TYR 19 26.410 -0.667 -0.907 135 1HB TYR 19 HB2 TYR 19 25.268 -3.136 -2.211 136 2HB TYR 19 HB1 TYR 19 25.948 -3.173 -0.589 137 HD1 TYR 19 HD1 TYR 19 23.658 -4.020 0.052 138 HD2 TYR 19 HD2 TYR 19 24.285 -0.094 -1.475 139 HE1 TYR 19 HE1 TYR 19 21.505 -3.313 1.005 140 HE2 TYR 19 HE2 TYR 19 22.134 0.623 -0.517 141 HH TYR 19 HH TYR 19 19.761 -1.179 0.274 142 H ALA 20 HN ALA 20 27.520 -2.057 -3.847 143 HA ALA 20 HA ALA 20 29.676 -3.562 -2.647 144 1HB ALA 20 HB1 ALA 20 28.437 -4.501 -4.514 145 2HB ALA 20 HB2 ALA 20 30.128 -4.260 -4.953 146 3HB ALA 20 HB3 ALA 20 28.896 -3.129 -5.527 147 H SER 21 HN SER 21 29.361 -0.983 -5.060 148 HA SER 21 HA SER 21 32.136 -0.423 -5.133 149 1HB SER 21 HB2 SER 21 29.671 0.640 -6.360 150 2HB SER 21 HB1 SER 21 30.969 1.826 -6.156 151 HG SER 21 HG SER 21 31.387 -0.735 -7.319 152 H LEU 22 HN LEU 22 29.455 0.795 -3.210 153 HA LEU 22 HA LEU 22 31.073 2.856 -1.985 154 1HB LEU 22 HB2 LEU 22 28.993 3.582 -1.595 155 2HB LEU 22 HB1 LEU 22 28.298 1.993 -1.825 156 HG LEU 22 HG LEU 22 29.424 1.724 0.638 157 1HD1 LEU 22 HD11 LEU 22 28.332 4.527 0.509 158 2HD1 LEU 22 HD12 LEU 22 30.045 4.118 0.641 159 3HD1 LEU 22 HD13 LEU 22 28.931 3.684 1.938 160 1HD2 LEU 22 HD21 LEU 22 27.275 0.936 0.358 161 2HD2 LEU 22 HD22 LEU 22 26.694 2.458 -0.316 162 3HD2 LEU 22 HD23 LEU 22 27.018 2.327 1.412 163 H ARG 23 HN ARG 23 30.223 -0.536 -1.311 164 HA ARG 23 HA ARG 23 31.568 -0.584 1.195 165 1HB ARG 23 HB2 ARG 23 30.231 -2.461 0.738 166 2HB ARG 23 HB1 ARG 23 30.994 -2.734 -0.823 167 1HG ARG 23 HG2 ARG 23 33.130 -2.983 0.809 168 2HG ARG 23 HG1 ARG 23 31.837 -3.558 1.869 169 1HD ARG 23 HD2 ARG 23 31.711 -4.605 -0.867 170 2HD ARG 23 HD1 ARG 23 33.145 -5.097 0.035 171 HE ARG 23 HE ARG 23 31.651 -6.001 1.734 172 1HH1 ARG 23 HH11 ARG 23 30.278 -5.305 -1.416 173 2HH1 ARG 23 HH12 ARG 23 28.956 -6.415 -1.228 174 1HH2 ARG 23 HH21 ARG 23 29.890 -7.469 1.975 175 2HH2 ARG 23 HH22 ARG 23 28.733 -7.629 0.682 176 H HIS 24 HN HIS 24 32.711 -0.955 -2.121 177 HA HIS 24 HA HIS 24 35.407 -1.538 -1.476 178 1HB HIS 24 HB2 HIS 24 34.071 -1.514 -3.792 179 2HB HIS 24 HB1 HIS 24 34.786 0.092 -3.898 180 HD1 HIS 24 HD1 HIS 24 36.169 -3.316 -2.880 181 HD2 HIS 24 HD2 HIS 24 37.026 -0.097 -5.375 182 HE1 HIS 24 HE1 HIS 24 38.349 -3.882 -4.000 183 HE2 HIS 24 HE2 HIS 24 38.722 -2.033 -5.672 184 H TYR 25 HN TYR 25 33.571 1.416 -1.858 185 HA TYR 25 HA TYR 25 35.648 3.266 -1.515 186 1HB TYR 25 HB2 TYR 25 33.671 4.192 -2.300 187 2HB TYR 25 HB1 TYR 25 32.676 3.281 -1.177 188 HD1 TYR 25 HD1 TYR 25 31.541 4.569 0.340 189 HD2 TYR 25 HD2 TYR 25 35.407 5.841 -0.924 190 HE1 TYR 25 HE1 TYR 25 31.346 6.556 1.752 191 HE2 TYR 25 HE2 TYR 25 35.223 7.831 0.511 192 HH TYR 25 HH TYR 25 34.030 8.828 2.156 193 H LEU 26 HN LEU 26 33.552 1.586 0.804 194 HA LEU 26 HA LEU 26 34.652 2.699 3.152 195 1HB LEU 26 HB2 LEU 26 33.359 0.015 2.683 196 2HB LEU 26 HB1 LEU 26 33.758 0.654 4.267 197 HG LEU 26 HG LEU 26 31.865 2.012 2.347 198 1HD1 LEU 26 HD11 LEU 26 30.573 0.927 4.648 199 2HD1 LEU 26 HD12 LEU 26 31.445 -0.358 3.812 200 3HD1 LEU 26 HD13 LEU 26 30.256 0.614 2.943 201 1HD2 LEU 26 HD21 LEU 26 31.695 2.482 5.240 202 2HD2 LEU 26 HD22 LEU 26 31.590 3.616 3.892 203 3HD2 LEU 26 HD23 LEU 26 33.166 3.080 4.474 204 H ASN 27 HN ASN 27 35.375 -0.281 1.388 205 HA ASN 27 HA ASN 27 37.503 -1.255 2.850 206 1HB ASN 27 HB2 ASN 27 36.336 -1.816 0.382 207 2HB ASN 27 HB1 ASN 27 38.010 -1.438 -0.011 208 1HD2 ASN 27 HD21 ASN 27 39.548 -2.901 0.406 209 2HD2 ASN 27 HD22 ASN 27 39.272 -4.436 1.153 210 H LEU 28 HN LEU 28 37.432 1.502 0.661 211 HA LEU 28 HA LEU 28 40.290 1.822 0.744 212 1HB LEU 28 HB2 LEU 28 39.130 2.703 -1.192 213 2HB LEU 28 HB1 LEU 28 38.181 3.757 -0.139 214 HG LEU 28 HG LEU 28 40.704 4.398 0.620 215 1HD1 LEU 28 HD11 LEU 28 42.209 3.899 -0.936 216 2HD1 LEU 28 HD12 LEU 28 41.283 4.790 -2.144 217 3HD1 LEU 28 HD13 LEU 28 40.970 3.075 -1.886 218 1HD2 LEU 28 HD21 LEU 28 39.596 6.304 0.269 219 2HD2 LEU 28 HD22 LEU 28 38.552 5.567 -0.946 220 3HD2 LEU 28 HD23 LEU 28 40.127 6.206 -1.414 221 H VAL 29 HN VAL 29 37.581 3.637 2.060 222 HA VAL 29 HA VAL 29 39.021 5.663 3.208 223 HB VAL 29 HB VAL 29 37.175 6.029 4.821 224 1HG1 VAL 29 HG11 VAL 29 36.074 5.473 2.091 225 2HG1 VAL 29 HG12 VAL 29 37.212 6.782 2.400 226 3HG1 VAL 29 HG13 VAL 29 35.647 6.768 3.212 227 1HG2 VAL 29 HG21 VAL 29 35.727 4.449 5.385 228 2HG2 VAL 29 HG22 VAL 29 36.681 3.304 4.437 229 3HG2 VAL 29 HG23 VAL 29 35.320 4.149 3.696 230 H THR 30 HN THR 30 38.518 2.434 4.424 231 HA THR 30 HA THR 30 39.565 2.918 7.038 232 HB THR 30 HB THR 30 38.111 0.986 6.509 233 HG1 THR 30 HG1 THR 30 40.693 0.276 7.495 234 1HG2 THR 30 HG21 THR 30 38.931 0.344 4.350 235 2HG2 THR 30 HG22 THR 30 39.158 -1.010 5.458 236 3HG2 THR 30 HG23 THR 30 40.533 -0.001 5.009 237 H ARG 31 HN ARG 31 41.084 3.376 4.249 238 HA ARG 31 HA ARG 31 43.544 2.058 4.504 239 1HB ARG 31 HB2 ARG 31 42.463 3.751 2.657 240 2HB ARG 31 HB1 ARG 31 43.704 4.756 3.395 241 1HG ARG 31 HG2 ARG 31 45.368 2.992 2.940 242 2HG ARG 31 HG1 ARG 31 44.114 2.052 2.132 243 1HD ARG 31 HD2 ARG 31 44.829 3.088 0.276 244 2HD ARG 31 HD1 ARG 31 43.882 4.451 0.871 245 HE ARG 31 HE ARG 31 45.824 5.588 1.306 246 1HH1 ARG 31 HH11 ARG 31 46.578 2.210 0.747 247 2HH1 ARG 31 HH12 ARG 31 48.299 2.452 0.734 248 1HH2 ARG 31 HH21 ARG 31 48.095 5.916 1.287 249 2HH2 ARG 31 HH22 ARG 31 49.159 4.565 1.023 250 H GLN 32 HN GLN 32 42.375 5.160 5.676 251 HA GLN 32 HA GLN 32 44.874 5.537 7.181 252 1HB GLN 32 HB2 GLN 32 43.309 7.874 7.375 253 2HB GLN 32 HB1 GLN 32 44.787 7.649 6.453 254 1HG GLN 32 HG2 GLN 32 43.545 8.229 4.695 255 2HG GLN 32 HG1 GLN 32 42.932 6.581 4.773 256 1HE2 GLN 32 HE21 GLN 32 41.672 7.576 7.464 257 2HE2 GLN 32 HE22 GLN 32 40.201 8.303 6.922 258 H ARG 33 HN ARG 33 41.403 5.297 7.434 259 HA ARG 33 HA ARG 33 39.985 5.004 9.172 260 1HB ARG 33 HB2 ARG 33 42.556 4.088 10.274 261 2HB ARG 33 HB1 ARG 33 41.380 4.589 11.484 262 1HG ARG 33 HG2 ARG 33 40.552 2.539 11.325 263 2HG ARG 33 HG1 ARG 33 39.893 3.043 9.765 264 1HD ARG 33 HD2 ARG 33 41.047 1.080 9.277 265 2HD ARG 33 HD1 ARG 33 42.169 2.355 8.804 266 HE ARG 33 HE ARG 33 42.364 0.769 11.284 267 1HH1 ARG 33 HH11 ARG 33 43.833 2.656 8.727 268 2HH1 ARG 33 HH12 ARG 33 45.457 2.393 9.277 269 1HH2 ARG 33 HH21 ARG 33 44.495 0.404 12.020 270 2HH2 ARG 33 HH22 ARG 33 45.841 1.088 11.144 271 H TYR 34 HN TYR 34 40.091 5.767 11.837 272 HA TYR 34 HA TYR 34 40.982 8.481 12.061 273 1HB TYR 34 HB2 TYR 34 38.731 8.373 10.660 274 2HB TYR 34 HB1 TYR 34 38.010 8.223 12.258 275 HD1 TYR 34 HD1 TYR 34 37.627 10.131 13.557 276 HD2 TYR 34 HD2 TYR 34 40.277 10.374 10.242 277 HE1 TYR 34 HE1 TYR 34 37.750 12.570 13.841 278 HE2 TYR 34 HE2 TYR 34 40.411 12.813 10.516 279 HH TYR 34 HH TYR 34 40.101 14.474 12.379 280 1HN NH2 35 H1 NH2 35 40.717 7.922 15.489 281 2HN NH2 35 H2 NH2 35 41.460 8.761 14.175 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 24.915 15.736 0.861 2 2H ILE 1 HT2 ILE 1 24.952 14.249 1.664 3 3H ILE 1 HT3 ILE 1 24.990 14.299 -0.031 4 HA ILE 1 HA ILE 1 27.120 15.320 -0.039 5 HB ILE 1 HB ILE 1 26.621 16.500 2.209 6 1HG1 ILE 1 HG12 ILE 1 29.193 16.429 2.727 7 2HG1 ILE 1 HG11 ILE 1 29.264 15.484 1.242 8 1HG2 ILE 1 HG21 ILE 1 27.251 15.517 4.205 9 2HG2 ILE 1 HG22 ILE 1 28.203 14.266 3.404 10 3HG2 ILE 1 HG23 ILE 1 26.441 14.197 3.360 11 1HD1 ILE 1 HD11 ILE 1 27.746 17.582 0.452 12 2HD1 ILE 1 HD12 ILE 1 29.499 17.482 0.268 13 3HD1 ILE 1 HD13 ILE 1 28.803 18.345 1.641 14 H LYS 2 HN LYS 2 25.632 12.631 1.409 15 HA LYS 2 HA LYS 2 28.106 11.049 1.156 16 1HB LYS 2 HB2 LYS 2 25.713 10.762 2.963 17 2HB LYS 2 HB1 LYS 2 26.786 9.406 2.647 18 1HG LYS 2 HG2 LYS 2 28.287 11.754 3.381 19 2HG LYS 2 HG1 LYS 2 27.072 11.368 4.600 20 1HD LYS 2 HD2 LYS 2 29.034 9.374 3.473 21 2HD LYS 2 HD1 LYS 2 29.286 10.275 4.970 22 1HE LYS 2 HE2 LYS 2 26.834 9.285 5.433 23 2HE LYS 2 HE1 LYS 2 27.472 8.017 4.389 24 1HZ LYS 2 HZ1 LYS 2 29.086 7.460 5.899 25 2HZ LYS 2 HZ2 LYS 2 27.817 7.900 6.937 26 3HZ LYS 2 HZ3 LYS 2 29.092 8.982 6.649 27 HA PRO 3 HA PRO 3 26.133 8.728 -2.052 28 1HB PRO 3 HB2 PRO 3 27.160 6.170 -1.176 29 2HB PRO 3 HB1 PRO 3 27.727 7.188 -2.501 30 1HG PRO 3 HG2 PRO 3 29.143 6.716 -0.203 31 2HG PRO 3 HG1 PRO 3 29.354 8.148 -1.225 32 1HD PRO 3 HD2 PRO 3 27.865 7.848 1.347 33 2HD PRO 3 HD1 PRO 3 28.833 9.216 0.754 34 H GLU 4 HN GLU 4 24.953 8.639 0.889 35 HA GLU 4 HA GLU 4 23.402 6.213 0.801 36 1HB GLU 4 HB2 GLU 4 24.227 7.418 2.916 37 2HB GLU 4 HB1 GLU 4 22.926 8.562 2.624 38 1HG GLU 4 HG2 GLU 4 21.979 5.833 2.533 39 2HG GLU 4 HG1 GLU 4 22.779 6.200 4.061 40 H ALA 5 HN ALA 5 22.450 6.529 -1.223 41 HA ALA 5 HA ALA 5 20.127 8.316 -1.141 42 1HB ALA 5 HB1 ALA 5 22.353 8.517 -2.873 43 2HB ALA 5 HB2 ALA 5 20.879 9.489 -2.860 44 3HB ALA 5 HB3 ALA 5 20.963 8.021 -3.838 45 HA PRO 6 HA PRO 6 18.800 4.467 -3.504 46 1HB PRO 6 HB2 PRO 6 20.785 2.801 -4.539 47 2HB PRO 6 HB1 PRO 6 19.935 4.064 -5.430 48 1HG PRO 6 HG2 PRO 6 22.682 4.009 -4.737 49 2HG PRO 6 HG1 PRO 6 21.791 5.354 -5.464 50 1HD PRO 6 HD2 PRO 6 22.554 4.895 -2.629 51 2HD PRO 6 HD1 PRO 6 22.318 6.422 -3.508 52 H GLY 7 HN GLY 7 17.965 2.968 -2.165 53 1HA GLY 7 HA2 GLY 7 19.850 1.357 -0.553 54 2HA GLY 7 HA1 GLY 7 18.193 1.725 -0.076 55 H GLU 8 HN GLU 8 17.197 -0.206 -0.039 56 HA GLU 8 HA GLU 8 17.623 -2.157 -2.126 57 1HB GLU 8 HB2 GLU 8 15.301 -2.810 -0.635 58 2HB GLU 8 HB1 GLU 8 16.892 -3.549 -0.542 59 1HG GLU 8 HG2 GLU 8 17.542 -1.838 1.124 60 2HG GLU 8 HG1 GLU 8 15.889 -1.225 1.082 61 H ASP 9 HN ASP 9 16.279 0.663 -2.296 62 HA ASP 9 HA ASP 9 13.748 -0.069 -3.547 63 1HB ASP 9 HB2 ASP 9 13.194 2.265 -3.456 64 2HB ASP 9 HB1 ASP 9 13.887 1.826 -1.898 65 H ALA 10 HN ALA 10 16.774 -0.123 -4.562 66 HA ALA 10 HA ALA 10 16.566 1.420 -6.981 67 1HB ALA 10 HB1 ALA 10 18.632 -0.481 -7.228 68 2HB ALA 10 HB2 ALA 10 18.639 0.069 -5.550 69 3HB ALA 10 HB3 ALA 10 18.774 1.239 -6.863 70 H SER 11 HN SER 11 15.982 0.700 -8.979 71 HA SER 11 HA SER 11 14.127 -1.447 -8.912 72 1HB SER 11 HB2 SER 11 14.734 -0.432 -11.561 73 2HB SER 11 HB1 SER 11 13.222 -0.371 -10.649 74 HG SER 11 HG SER 11 13.769 1.545 -9.818 75 HA PRO 12 HA PRO 12 16.650 -3.863 -11.987 76 1HB PRO 12 HB2 PRO 12 18.713 -2.585 -13.369 77 2HB PRO 12 HB1 PRO 12 17.040 -2.724 -13.910 78 1HG PRO 12 HG2 PRO 12 18.394 -0.351 -13.189 79 2HG PRO 12 HG1 PRO 12 16.664 -0.533 -13.514 80 1HD PRO 12 HD2 PRO 12 18.105 -0.454 -10.910 81 2HD PRO 12 HD1 PRO 12 16.471 0.113 -11.322 82 H GLU 13 HN GLU 13 17.663 -3.218 -9.318 83 HA GLU 13 HA GLU 13 19.285 -3.871 -7.859 84 1HB GLU 13 HB2 GLU 13 19.106 -6.026 -9.128 85 2HB GLU 13 HB1 GLU 13 20.399 -5.475 -10.181 86 1HG GLU 13 HG2 GLU 13 21.693 -6.631 -8.766 87 2HG GLU 13 HG1 GLU 13 21.585 -5.173 -7.784 88 H GLU 14 HN GLU 14 19.537 -1.480 -9.495 89 HA GLU 14 HA GLU 14 22.267 -1.125 -10.142 90 1HB GLU 14 HB2 GLU 14 21.759 1.090 -10.554 91 2HB GLU 14 HB1 GLU 14 20.169 0.359 -10.702 92 1HG GLU 14 HG2 GLU 14 20.249 0.978 -8.051 93 2HG GLU 14 HG1 GLU 14 21.184 2.292 -8.761 94 H LEU 15 HN LEU 15 20.622 -1.492 -7.264 95 HA LEU 15 HA LEU 15 22.112 0.109 -5.493 96 1HB LEU 15 HB2 LEU 15 21.190 -1.577 -3.784 97 2HB LEU 15 HB1 LEU 15 20.063 -0.566 -4.659 98 HG LEU 15 HG LEU 15 20.014 -2.694 -6.283 99 1HD1 LEU 15 HD11 LEU 15 21.636 -3.684 -4.355 100 2HD1 LEU 15 HD12 LEU 15 20.597 -4.667 -5.391 101 3HD1 LEU 15 HD13 LEU 15 20.056 -4.212 -3.776 102 1HD2 LEU 15 HD21 LEU 15 18.458 -1.892 -3.912 103 2HD2 LEU 15 HD22 LEU 15 18.180 -3.528 -4.511 104 3HD2 LEU 15 HD23 LEU 15 17.941 -2.145 -5.579 105 H ASN 16 HN ASN 16 22.526 -3.224 -6.599 106 HA ASN 16 HA ASN 16 24.153 -4.195 -4.596 107 1HB ASN 16 HB2 ASN 16 24.586 -6.015 -5.962 108 2HB ASN 16 HB1 ASN 16 23.079 -5.376 -6.630 109 1HD2 ASN 16 HD21 ASN 16 23.736 -3.396 -8.089 110 2HD2 ASN 16 HD22 ASN 16 24.826 -3.805 -9.346 111 H ARG 17 HN ARG 17 25.201 -2.281 -7.420 112 HA ARG 17 HA ARG 17 27.962 -2.547 -6.590 113 1HB ARG 17 HB2 ARG 17 28.406 -0.910 -8.453 114 2HB ARG 17 HB1 ARG 17 27.788 -2.492 -8.918 115 1HG ARG 17 HG2 ARG 17 25.805 -1.653 -9.657 116 2HG ARG 17 HG1 ARG 17 25.810 -0.323 -8.495 117 1HD ARG 17 HD2 ARG 17 26.404 0.971 -10.217 118 2HD ARG 17 HD1 ARG 17 27.996 0.225 -10.064 119 HE ARG 17 HE ARG 17 26.450 -1.448 -11.663 120 1HH1 ARG 17 HH11 ARG 17 27.778 1.787 -11.783 121 2HH1 ARG 17 HH12 ARG 17 27.855 1.829 -13.516 122 1HH2 ARG 17 HH21 ARG 17 26.571 -1.409 -13.937 123 2HH2 ARG 17 HH22 ARG 17 27.180 0.002 -14.752 124 H TYR 18 HN TYR 18 25.336 -0.371 -6.073 125 HA TYR 18 HA TYR 18 26.912 1.774 -5.102 126 1HB TYR 18 HB2 TYR 18 24.825 2.621 -4.881 127 2HB TYR 18 HB1 TYR 18 24.105 1.024 -5.017 128 HD1 TYR 18 HD1 TYR 18 23.179 -0.055 -3.130 129 HD2 TYR 18 HD2 TYR 18 25.619 3.408 -2.600 130 HE1 TYR 18 HE1 TYR 18 22.574 0.007 -0.755 131 HE2 TYR 18 HE2 TYR 18 25.010 3.472 -0.219 132 HH TYR 18 HH TYR 18 22.521 2.159 1.067 133 H TYR 19 HN TYR 19 25.606 -1.189 -3.726 134 HA TYR 19 HA TYR 19 26.685 -1.000 -1.150 135 1HB TYR 19 HB2 TYR 19 26.038 -3.397 -2.865 136 2HB TYR 19 HB1 TYR 19 26.532 -3.522 -1.183 137 HD1 TYR 19 HD1 TYR 19 23.786 -3.077 -3.456 138 HD2 TYR 19 HD2 TYR 19 25.075 -2.338 0.557 139 HE1 TYR 19 HE1 TYR 19 21.441 -2.889 -2.693 140 HE2 TYR 19 HE2 TYR 19 22.741 -2.128 1.291 141 HH TYR 19 HH TYR 19 20.498 -2.887 0.555 142 H ALA 20 HN ALA 20 28.059 -2.076 -4.152 143 HA ALA 20 HA ALA 20 30.304 -3.407 -2.960 144 1HB ALA 20 HB1 ALA 20 29.290 -4.312 -4.944 145 2HB ALA 20 HB2 ALA 20 30.940 -3.803 -5.312 146 3HB ALA 20 HB3 ALA 20 29.573 -2.804 -5.812 147 H SER 21 HN SER 21 29.825 -0.588 -5.061 148 HA SER 21 HA SER 21 32.533 0.228 -4.986 149 1HB SER 21 HB2 SER 21 29.982 1.255 -6.060 150 2HB SER 21 HB1 SER 21 31.165 2.506 -5.642 151 HG SER 21 HG SER 21 31.822 1.984 -7.615 152 H LEU 22 HN LEU 22 29.702 0.907 -3.014 153 HA LEU 22 HA LEU 22 31.019 2.859 -1.362 154 1HB LEU 22 HB2 LEU 22 28.607 2.842 -1.406 155 2HB LEU 22 HB1 LEU 22 28.558 1.161 -0.917 156 HG LEU 22 HG LEU 22 29.794 2.120 1.223 157 1HD1 LEU 22 HD11 LEU 22 28.338 4.475 0.069 158 2HD1 LEU 22 HD12 LEU 22 30.018 4.380 0.596 159 3HD1 LEU 22 HD13 LEU 22 28.717 4.323 1.785 160 1HD2 LEU 22 HD21 LEU 22 27.552 0.944 0.953 161 2HD2 LEU 22 HD22 LEU 22 26.844 2.559 0.926 162 3HD2 LEU 22 HD23 LEU 22 27.740 2.011 2.344 163 H ARG 23 HN ARG 23 30.618 -0.663 -1.341 164 HA ARG 23 HA ARG 23 31.864 -1.054 1.185 165 1HB ARG 23 HB2 ARG 23 30.653 -2.872 0.201 166 2HB ARG 23 HB1 ARG 23 31.693 -2.866 -1.218 167 1HG ARG 23 HG2 ARG 23 33.206 -4.159 -0.234 168 2HG ARG 23 HG1 ARG 23 33.202 -3.181 1.236 169 1HD ARG 23 HD2 ARG 23 31.746 -5.664 0.591 170 2HD ARG 23 HD1 ARG 23 32.339 -5.070 2.138 171 HE ARG 23 HE ARG 23 30.290 -3.438 1.811 172 1HH1 ARG 23 HH11 ARG 23 30.469 -6.871 1.126 173 2HH1 ARG 23 HH12 ARG 23 28.789 -7.151 1.444 174 1HH2 ARG 23 HH21 ARG 23 28.085 -3.808 2.237 175 2HH2 ARG 23 HH22 ARG 23 27.429 -5.414 2.081 176 H HIS 24 HN HIS 24 33.148 -0.782 -2.091 177 HA HIS 24 HA HIS 24 35.843 -1.300 -1.442 178 1HB HIS 24 HB2 HIS 24 34.440 -0.692 -3.764 179 2HB HIS 24 HB1 HIS 24 35.504 0.694 -3.550 180 HD1 HIS 24 HD1 HIS 24 38.110 0.170 -3.478 181 HD2 HIS 24 HD2 HIS 24 35.666 -2.986 -4.658 182 HE1 HIS 24 HE1 HIS 24 39.640 -1.519 -4.542 183 HE2 HIS 24 HE2 HIS 24 38.106 -3.298 -5.457 184 H TYR 25 HN TYR 25 33.918 1.656 -1.542 185 HA TYR 25 HA TYR 25 35.887 3.460 -0.711 186 1HB TYR 25 HB2 TYR 25 33.961 4.523 -1.398 187 2HB TYR 25 HB1 TYR 25 32.909 3.360 -0.608 188 HD1 TYR 25 HD1 TYR 25 35.423 5.965 0.342 189 HD2 TYR 25 HD2 TYR 25 31.703 4.090 1.178 190 HE1 TYR 25 HE1 TYR 25 35.046 7.548 2.182 191 HE2 TYR 25 HE2 TYR 25 31.312 5.661 3.014 192 HH TYR 25 HH TYR 25 32.763 8.467 3.389 193 H LEU 26 HN LEU 26 33.670 1.413 1.158 194 HA LEU 26 HA LEU 26 34.452 2.206 3.715 195 1HB LEU 26 HB2 LEU 26 33.451 -0.448 2.704 196 2HB LEU 26 HB1 LEU 26 33.708 -0.107 4.404 197 HG LEU 26 HG LEU 26 31.781 1.350 2.601 198 1HD1 LEU 26 HD11 LEU 26 31.555 -1.125 3.989 199 2HD1 LEU 26 HD12 LEU 26 30.336 -0.269 3.044 200 3HD1 LEU 26 HD13 LEU 26 30.505 0.062 4.768 201 1HD2 LEU 26 HD21 LEU 26 32.891 1.979 5.206 202 2HD2 LEU 26 HD22 LEU 26 31.132 1.844 5.250 203 3HD2 LEU 26 HD23 LEU 26 31.900 2.967 4.132 204 H ASN 27 HN ASN 27 35.591 -0.580 1.816 205 HA ASN 27 HA ASN 27 37.662 -1.307 3.574 206 1HB ASN 27 HB2 ASN 27 36.576 -2.366 1.283 207 2HB ASN 27 HB1 ASN 27 38.189 -1.895 0.752 208 1HD2 ASN 27 HD21 ASN 27 37.496 -4.504 0.755 209 2HD2 ASN 27 HD22 ASN 27 38.352 -5.350 2.010 210 H LEU 28 HN LEU 28 37.473 1.337 1.412 211 HA LEU 28 HA LEU 28 40.349 1.707 1.287 212 1HB LEU 28 HB2 LEU 28 39.009 2.493 -0.599 213 2HB LEU 28 HB1 LEU 28 38.110 3.547 0.496 214 HG LEU 28 HG LEU 28 40.653 4.316 1.019 215 1HD1 LEU 28 HD11 LEU 28 42.067 4.076 -0.700 216 2HD1 LEU 28 HD12 LEU 28 40.824 4.425 -1.901 217 3HD1 LEU 28 HD13 LEU 28 40.978 2.798 -1.241 218 1HD2 LEU 28 HD21 LEU 28 39.847 6.315 0.385 219 2HD2 LEU 28 HD22 LEU 28 38.344 5.448 0.076 220 3HD2 LEU 28 HD23 LEU 28 39.469 5.759 -1.246 221 H VAL 29 HN VAL 29 37.646 3.531 2.509 222 HA VAL 29 HA VAL 29 39.069 5.519 3.786 223 HB VAL 29 HB VAL 29 36.675 5.687 3.246 224 1HG1 VAL 29 HG11 VAL 29 36.496 3.331 4.860 225 2HG1 VAL 29 HG12 VAL 29 35.274 4.076 3.821 226 3HG1 VAL 29 HG13 VAL 29 35.431 4.583 5.508 227 1HG2 VAL 29 HG21 VAL 29 37.641 7.250 4.848 228 2HG2 VAL 29 HG22 VAL 29 37.263 6.145 6.168 229 3HG2 VAL 29 HG23 VAL 29 35.961 6.893 5.246 230 H THR 30 HN THR 30 38.306 2.314 4.823 231 HA THR 30 HA THR 30 39.204 2.768 7.527 232 HB THR 30 HB THR 30 37.492 1.033 6.867 233 HG1 THR 30 HG1 THR 30 38.500 -0.588 8.321 234 1HG2 THR 30 HG21 THR 30 38.344 -1.150 6.101 235 2HG2 THR 30 HG22 THR 30 39.939 -0.435 5.883 236 3HG2 THR 30 HG23 THR 30 38.581 0.122 4.903 237 H ARG 31 HN ARG 31 40.919 3.425 5.207 238 HA ARG 31 HA ARG 31 43.082 1.749 4.856 239 1HB ARG 31 HB2 ARG 31 42.606 3.994 3.724 240 2HB ARG 31 HB1 ARG 31 43.358 4.740 5.128 241 1HG ARG 31 HG2 ARG 31 45.246 4.585 3.954 242 2HG ARG 31 HG1 ARG 31 45.226 2.887 4.431 243 1HD ARG 31 HD2 ARG 31 45.130 2.319 2.290 244 2HD ARG 31 HD1 ARG 31 43.556 3.106 2.176 245 HE ARG 31 HE ARG 31 45.717 4.970 1.954 246 1HH1 ARG 31 HH11 ARG 31 43.959 2.535 0.154 247 2HH1 ARG 31 HH12 ARG 31 44.174 3.318 -1.381 248 1HH2 ARG 31 HH21 ARG 31 46.015 6.010 -0.066 249 2HH2 ARG 31 HH22 ARG 31 45.354 5.300 -1.511 250 H GLN 32 HN GLN 32 42.501 4.199 7.324 251 HA GLN 32 HA GLN 32 44.775 3.216 8.899 252 1HB GLN 32 HB2 GLN 32 44.684 5.226 10.121 253 2HB GLN 32 HB1 GLN 32 44.349 5.710 8.467 254 1HG GLN 32 HG2 GLN 32 42.278 5.280 10.612 255 2HG GLN 32 HG1 GLN 32 42.910 6.842 10.103 256 1HE2 GLN 32 HE21 GLN 32 40.644 4.390 9.525 257 2HE2 GLN 32 HE22 GLN 32 39.936 5.050 8.085 258 H ARG 33 HN ARG 33 42.083 1.943 8.424 259 HA ARG 33 HA ARG 33 40.504 0.737 9.480 260 1HB ARG 33 HB2 ARG 33 42.127 1.187 11.988 261 2HB ARG 33 HB1 ARG 33 40.869 -0.023 11.767 262 1HG ARG 33 HG2 ARG 33 43.487 0.103 10.288 263 2HG ARG 33 HG1 ARG 33 43.080 -1.012 11.596 264 1HD ARG 33 HD2 ARG 33 41.794 -2.317 10.260 265 2HD ARG 33 HD1 ARG 33 41.236 -0.954 9.289 266 HE ARG 33 HE ARG 33 43.781 -1.108 8.520 267 1HH1 ARG 33 HH11 ARG 33 41.346 -3.615 8.841 268 2HH1 ARG 33 HH12 ARG 33 42.077 -4.643 7.648 269 1HH2 ARG 33 HH21 ARG 33 44.719 -2.447 6.948 270 2HH2 ARG 33 HH22 ARG 33 43.990 -3.979 6.576 271 H TYR 34 HN TYR 34 38.635 1.748 9.444 272 HA TYR 34 HA TYR 34 38.201 3.947 11.365 273 1HB TYR 34 HB2 TYR 34 38.059 4.239 8.710 274 2HB TYR 34 HB1 TYR 34 36.422 3.661 8.993 275 HD1 TYR 34 HD1 TYR 34 38.848 6.283 10.055 276 HD2 TYR 34 HD2 TYR 34 34.759 5.137 9.734 277 HE1 TYR 34 HE1 TYR 34 38.164 8.553 10.706 278 HE2 TYR 34 HE2 TYR 34 34.067 7.409 10.378 279 HH TYR 34 HH TYR 34 35.223 9.360 11.790 280 1HN NH2 35 H1 NH2 35 36.052 1.504 12.836 281 2HN NH2 35 H2 NH2 35 37.657 2.143 12.881 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 23.350 5.219 4.647 2 2H ILE 1 HT2 ILE 1 23.527 6.562 5.664 3 3H ILE 1 HT3 ILE 1 23.509 5.000 6.319 4 HA ILE 1 HA ILE 1 25.668 4.841 6.141 5 HB ILE 1 HB ILE 1 25.926 5.715 3.320 6 1HG1 ILE 1 HG12 ILE 1 23.659 4.526 3.525 7 2HG1 ILE 1 HG11 ILE 1 24.793 3.893 2.339 8 1HG2 ILE 1 HG21 ILE 1 27.738 4.445 3.442 9 2HG2 ILE 1 HG22 ILE 1 26.802 3.051 3.978 10 3HG2 ILE 1 HG23 ILE 1 27.387 4.224 5.156 11 1HD1 ILE 1 HD11 ILE 1 23.933 1.995 3.356 12 2HD1 ILE 1 HD12 ILE 1 23.955 2.722 4.962 13 3HD1 ILE 1 HD13 ILE 1 25.466 2.234 4.191 14 H LYS 2 HN LYS 2 25.477 7.378 3.651 15 HA LYS 2 HA LYS 2 26.205 9.467 5.431 16 1HB LYS 2 HB2 LYS 2 28.343 7.867 4.672 17 2HB LYS 2 HB1 LYS 2 28.442 9.237 3.575 18 1HG LYS 2 HG2 LYS 2 27.940 10.260 6.166 19 2HG LYS 2 HG1 LYS 2 29.240 9.074 6.293 20 1HD LYS 2 HD2 LYS 2 30.669 10.560 5.454 21 2HD LYS 2 HD1 LYS 2 29.714 10.630 3.971 22 1HE LYS 2 HE2 LYS 2 28.318 12.368 4.915 23 2HE LYS 2 HE1 LYS 2 29.177 12.261 6.450 24 1HZ LYS 2 HZ1 LYS 2 31.031 12.689 4.378 25 2HZ LYS 2 HZ2 LYS 2 30.667 13.686 5.697 26 3HZ LYS 2 HZ3 LYS 2 29.795 13.843 4.247 27 HA PRO 3 HA PRO 3 25.928 11.276 1.078 28 1HB PRO 3 HB2 PRO 3 26.328 9.862 -1.144 29 2HB PRO 3 HB1 PRO 3 27.692 10.375 -0.143 30 1HG PRO 3 HG2 PRO 3 26.382 7.699 -0.333 31 2HG PRO 3 HG1 PRO 3 28.101 8.095 -0.167 32 1HD PRO 3 HD2 PRO 3 26.406 7.333 1.906 33 2HD PRO 3 HD1 PRO 3 27.965 8.156 2.100 34 H GLU 4 HN GLU 4 24.617 10.755 -1.265 35 HA GLU 4 HA GLU 4 21.956 10.163 -0.501 36 1HB GLU 4 HB2 GLU 4 23.147 11.324 -2.697 37 2HB GLU 4 HB1 GLU 4 22.558 9.798 -3.345 38 1HG GLU 4 HG2 GLU 4 20.955 11.655 -3.592 39 2HG GLU 4 HG1 GLU 4 20.319 10.301 -2.659 40 H ALA 5 HN ALA 5 21.198 8.220 0.012 41 HA ALA 5 HA ALA 5 22.456 5.877 -1.251 42 1HB ALA 5 HB1 ALA 5 21.248 5.665 1.460 43 2HB ALA 5 HB2 ALA 5 22.824 6.434 1.294 44 3HB ALA 5 HB3 ALA 5 22.593 4.774 0.747 45 HA PRO 6 HA PRO 6 18.140 5.024 -2.403 46 1HB PRO 6 HB2 PRO 6 19.484 3.021 -4.086 47 2HB PRO 6 HB1 PRO 6 18.373 4.309 -4.562 48 1HG PRO 6 HG2 PRO 6 20.994 4.404 -5.161 49 2HG PRO 6 HG1 PRO 6 20.061 5.867 -4.787 50 1HD PRO 6 HD2 PRO 6 21.938 4.314 -3.040 51 2HD PRO 6 HD1 PRO 6 21.759 6.072 -3.214 52 H GLY 7 HN GLY 7 20.819 3.149 -1.385 53 1HA GLY 7 HA2 GLY 7 21.010 1.507 0.193 54 2HA GLY 7 HA1 GLY 7 19.334 1.817 0.607 55 H GLU 8 HN GLU 8 18.105 0.143 0.456 56 HA GLU 8 HA GLU 8 19.026 -2.216 -0.935 57 1HB GLU 8 HB2 GLU 8 16.939 -1.582 1.092 58 2HB GLU 8 HB1 GLU 8 16.724 -3.030 0.117 59 1HG GLU 8 HG2 GLU 8 17.803 -3.665 2.128 60 2HG GLU 8 HG1 GLU 8 19.000 -3.753 0.837 61 H ASP 9 HN ASP 9 17.668 0.333 -2.177 62 HA ASP 9 HA ASP 9 16.196 -1.218 -4.136 63 1HB ASP 9 HB2 ASP 9 14.508 -0.414 -2.450 64 2HB ASP 9 HB1 ASP 9 14.923 1.236 -2.916 65 H ALA 10 HN ALA 10 18.056 -0.711 -5.370 66 HA ALA 10 HA ALA 10 17.692 1.893 -6.678 67 1HB ALA 10 HB1 ALA 10 20.291 0.378 -6.583 68 2HB ALA 10 HB2 ALA 10 19.903 1.718 -5.504 69 3HB ALA 10 HB3 ALA 10 20.016 1.993 -7.242 70 H SER 11 HN SER 11 16.123 0.986 -7.944 71 HA SER 11 HA SER 11 15.160 -0.324 -9.519 72 1HB SER 11 HB2 SER 11 17.911 -0.919 -10.612 73 2HB SER 11 HB1 SER 11 16.399 -0.688 -11.496 74 HG SER 11 HG SER 11 16.889 1.531 -10.106 75 HA PRO 12 HA PRO 12 15.564 -4.565 -8.230 76 1HB PRO 12 HB2 PRO 12 15.772 -6.173 -10.404 77 2HB PRO 12 HB1 PRO 12 14.266 -5.379 -9.935 78 1HG PRO 12 HG2 PRO 12 16.256 -4.578 -12.018 79 2HG PRO 12 HG1 PRO 12 14.484 -4.566 -12.099 80 1HD PRO 12 HD2 PRO 12 15.946 -2.331 -11.635 81 2HD PRO 12 HD1 PRO 12 14.326 -2.573 -10.949 82 H GLU 13 HN GLU 13 18.252 -3.079 -9.558 83 HA GLU 13 HA GLU 13 20.180 -4.923 -8.671 84 1HB GLU 13 HB2 GLU 13 18.968 -6.190 -10.609 85 2HB GLU 13 HB1 GLU 13 19.910 -5.150 -11.667 86 1HG GLU 13 HG2 GLU 13 21.491 -6.691 -11.553 87 2HG GLU 13 HG1 GLU 13 21.776 -6.135 -9.904 88 H GLU 14 HN GLU 14 19.725 -1.958 -9.172 89 HA GLU 14 HA GLU 14 22.360 -1.514 -10.407 90 1HB GLU 14 HB2 GLU 14 20.196 0.485 -9.697 91 2HB GLU 14 HB1 GLU 14 21.763 0.899 -10.381 92 1HG GLU 14 HG2 GLU 14 19.838 -0.944 -11.763 93 2HG GLU 14 HG1 GLU 14 19.800 0.805 -11.974 94 H LEU 15 HN LEU 15 20.823 -2.000 -7.539 95 HA LEU 15 HA LEU 15 22.232 -0.206 -5.833 96 1HB LEU 15 HB2 LEU 15 21.393 -1.949 -4.068 97 2HB LEU 15 HB1 LEU 15 20.267 -0.859 -4.855 98 HG LEU 15 HG LEU 15 20.040 -2.892 -6.552 99 1HD1 LEU 15 HD11 LEU 15 20.223 -4.578 -4.167 100 2HD1 LEU 15 HD12 LEU 15 21.777 -4.012 -4.784 101 3HD1 LEU 15 HD13 LEU 15 20.683 -4.914 -5.836 102 1HD2 LEU 15 HD21 LEU 15 18.703 -2.899 -3.852 103 2HD2 LEU 15 HD22 LEU 15 18.080 -3.594 -5.349 104 3HD2 LEU 15 HD23 LEU 15 18.254 -1.844 -5.193 105 H ASN 16 HN ASN 16 22.870 -3.378 -7.101 106 HA ASN 16 HA ASN 16 24.564 -4.374 -5.109 107 1HB ASN 16 HB2 ASN 16 25.536 -5.594 -7.304 108 2HB ASN 16 HB1 ASN 16 24.020 -6.048 -6.516 109 1HD2 ASN 16 HD21 ASN 16 22.154 -5.640 -7.394 110 2HD2 ASN 16 HD22 ASN 16 21.969 -5.048 -9.004 111 H ARG 17 HN ARG 17 25.332 -2.367 -7.953 112 HA ARG 17 HA ARG 17 28.120 -2.343 -7.203 113 1HB ARG 17 HB2 ARG 17 27.411 -0.168 -8.955 114 2HB ARG 17 HB1 ARG 17 28.536 -1.493 -9.200 115 1HG ARG 17 HG2 ARG 17 26.405 -2.895 -9.674 116 2HG ARG 17 HG1 ARG 17 25.637 -1.326 -9.912 117 1HD ARG 17 HD2 ARG 17 28.190 -1.581 -11.299 118 2HD ARG 17 HD1 ARG 17 26.992 -2.762 -11.822 119 HE ARG 17 HE ARG 17 26.998 0.034 -12.368 120 1HH1 ARG 17 HH11 ARG 17 24.907 -2.768 -11.952 121 2HH1 ARG 17 HH12 ARG 17 23.521 -1.988 -12.682 122 1HH2 ARG 17 HH21 ARG 17 25.195 1.007 -13.389 123 2HH2 ARG 17 HH22 ARG 17 23.691 0.138 -13.487 124 H TYR 18 HN TYR 18 25.317 -0.636 -6.266 125 HA TYR 18 HA TYR 18 26.702 1.647 -5.239 126 1HB TYR 18 HB2 TYR 18 24.519 2.232 -5.010 127 2HB TYR 18 HB1 TYR 18 23.980 0.557 -5.059 128 HD1 TYR 18 HD1 TYR 18 25.405 3.144 -2.788 129 HD2 TYR 18 HD2 TYR 18 23.266 -0.535 -3.086 130 HE1 TYR 18 HE1 TYR 18 24.942 3.220 -0.375 131 HE2 TYR 18 HE2 TYR 18 22.804 -0.459 -0.673 132 HH TYR 18 HH TYR 18 23.219 0.590 1.258 133 H TYR 19 HN TYR 19 25.688 -1.495 -4.018 134 HA TYR 19 HA TYR 19 26.853 -1.365 -1.472 135 1HB TYR 19 HB2 TYR 19 26.286 -3.710 -3.285 136 2HB TYR 19 HB1 TYR 19 26.839 -3.882 -1.627 137 HD1 TYR 19 HD1 TYR 19 25.364 -2.759 0.193 138 HD2 TYR 19 HD2 TYR 19 23.987 -3.623 -3.755 139 HE1 TYR 19 HE1 TYR 19 23.042 -2.716 0.999 140 HE2 TYR 19 HE2 TYR 19 21.674 -3.574 -2.942 141 HH TYR 19 HH TYR 19 20.857 -2.665 0.358 142 H ALA 20 HN ALA 20 28.166 -1.983 -4.597 143 HA ALA 20 HA ALA 20 30.585 -3.228 -3.630 144 1HB ALA 20 HB1 ALA 20 31.134 -3.445 -5.985 145 2HB ALA 20 HB2 ALA 20 29.765 -2.412 -6.407 146 3HB ALA 20 HB3 ALA 20 29.486 -3.994 -5.676 147 H SER 21 HN SER 21 29.768 -0.305 -5.499 148 HA SER 21 HA SER 21 32.347 0.800 -5.473 149 1HB SER 21 HB2 SER 21 31.284 2.839 -6.228 150 2HB SER 21 HB1 SER 21 30.422 1.478 -6.967 151 HG SER 21 HG SER 21 28.698 1.983 -5.880 152 H LEU 22 HN LEU 22 29.610 1.035 -3.277 153 HA LEU 22 HA LEU 22 30.845 2.831 -1.424 154 1HB LEU 22 HB2 LEU 22 28.406 2.462 -1.541 155 2HB LEU 22 HB1 LEU 22 28.634 0.821 -0.979 156 HG LEU 22 HG LEU 22 29.737 1.973 1.090 157 1HD1 LEU 22 HD11 LEU 22 28.371 4.200 -0.314 158 2HD1 LEU 22 HD12 LEU 22 29.828 4.207 0.679 159 3HD1 LEU 22 HD13 LEU 22 28.242 4.123 1.444 160 1HD2 LEU 22 HD21 LEU 22 26.773 2.281 0.907 161 2HD2 LEU 22 HD22 LEU 22 27.758 1.662 2.233 162 3HD2 LEU 22 HD23 LEU 22 27.510 0.682 0.788 163 H ARG 23 HN ARG 23 30.739 -0.699 -1.811 164 HA ARG 23 HA ARG 23 32.088 -1.190 0.658 165 1HB ARG 23 HB2 ARG 23 30.783 -2.897 -0.679 166 2HB ARG 23 HB1 ARG 23 32.182 -2.994 -1.743 167 1HG ARG 23 HG2 ARG 23 33.453 -3.364 0.546 168 2HG ARG 23 HG1 ARG 23 31.854 -3.933 1.046 169 1HD ARG 23 HD2 ARG 23 31.997 -5.801 -0.180 170 2HD ARG 23 HD1 ARG 23 32.702 -4.954 -1.556 171 HE ARG 23 HE ARG 23 34.862 -5.158 -0.458 172 1HH1 ARG 23 HH11 ARG 23 32.261 -7.129 0.790 173 2HH1 ARG 23 HH12 ARG 23 33.318 -8.370 1.404 174 1HH2 ARG 23 HH21 ARG 23 36.271 -6.753 0.410 175 2HH2 ARG 23 HH22 ARG 23 35.605 -8.142 1.208 176 H HIS 24 HN HIS 24 33.202 -0.322 -2.524 177 HA HIS 24 HA HIS 24 35.957 -0.930 -2.028 178 1HB HIS 24 HB2 HIS 24 34.431 0.611 -4.077 179 2HB HIS 24 HB1 HIS 24 36.136 1.009 -3.888 180 HD1 HIS 24 HD1 HIS 24 37.856 -0.923 -4.416 181 HD2 HIS 24 HD2 HIS 24 33.892 -1.743 -5.379 182 HE1 HIS 24 HE1 HIS 24 37.919 -2.944 -5.920 183 HE2 HIS 24 HE2 HIS 24 35.503 -3.554 -6.277 184 H TYR 25 HN TYR 25 33.910 1.913 -1.714 185 HA TYR 25 HA TYR 25 35.796 3.660 -0.609 186 1HB TYR 25 HB2 TYR 25 33.821 4.698 -1.224 187 2HB TYR 25 HB1 TYR 25 32.824 3.414 -0.561 188 HD1 TYR 25 HD1 TYR 25 35.317 5.874 0.773 189 HD2 TYR 25 HD2 TYR 25 31.503 4.044 1.169 190 HE1 TYR 25 HE1 TYR 25 34.875 7.239 2.766 191 HE2 TYR 25 HE2 TYR 25 31.045 5.396 3.153 192 HH TYR 25 HH TYR 25 32.907 6.670 4.991 193 H LEU 26 HN LEU 26 33.626 1.297 0.907 194 HA LEU 26 HA LEU 26 34.435 1.708 3.562 195 1HB LEU 26 HB2 LEU 26 33.400 -0.765 2.186 196 2HB LEU 26 HB1 LEU 26 33.636 -0.647 3.918 197 HG LEU 26 HG LEU 26 31.810 1.193 2.383 198 1HD1 LEU 26 HD11 LEU 26 31.180 -1.402 3.781 199 2HD1 LEU 26 HD12 LEU 26 30.953 -1.020 2.074 200 3HD1 LEU 26 HD13 LEU 26 29.971 -0.213 3.295 201 1HD2 LEU 26 HD21 LEU 26 30.812 1.401 4.716 202 2HD2 LEU 26 HD22 LEU 26 32.373 2.172 4.444 203 3HD2 LEU 26 HD23 LEU 26 32.288 0.631 5.296 204 H ASN 27 HN ASN 27 35.559 -0.587 1.128 205 HA ASN 27 HA ASN 27 37.578 -1.887 2.407 206 1HB ASN 27 HB2 ASN 27 37.348 -2.657 0.275 207 2HB ASN 27 HB1 ASN 27 37.085 -1.053 -0.393 208 1HD2 ASN 27 HD21 ASN 27 39.500 -3.319 0.720 209 2HD2 ASN 27 HD22 ASN 27 40.820 -2.638 -0.170 210 H LEU 28 HN LEU 28 37.753 1.399 1.036 211 HA LEU 28 HA LEU 28 40.487 1.707 1.879 212 1HB LEU 28 HB2 LEU 28 39.675 2.987 -0.044 213 2HB LEU 28 HB1 LEU 28 38.510 3.791 1.012 214 HG LEU 28 HG LEU 28 40.805 4.294 2.355 215 1HD1 LEU 28 HD11 LEU 28 42.632 4.145 1.091 216 2HD1 LEU 28 HD12 LEU 28 41.894 5.145 -0.160 217 3HD1 LEU 28 HD13 LEU 28 41.665 3.398 -0.183 218 1HD2 LEU 28 HD21 LEU 28 39.978 6.333 2.077 219 2HD2 LEU 28 HD22 LEU 28 38.879 5.704 0.850 220 3HD2 LEU 28 HD23 LEU 28 40.456 6.338 0.380 221 H VAL 29 HN VAL 29 37.479 3.214 2.773 222 HA VAL 29 HA VAL 29 38.377 4.953 4.676 223 HB VAL 29 HB VAL 29 36.098 4.899 3.643 224 1HG1 VAL 29 HG11 VAL 29 34.749 3.189 3.981 225 2HG1 VAL 29 HG12 VAL 29 34.720 3.544 5.712 226 3HG1 VAL 29 HG13 VAL 29 35.940 2.447 5.053 227 1HG2 VAL 29 HG21 VAL 29 35.395 6.382 5.174 228 2HG2 VAL 29 HG22 VAL 29 36.962 6.087 5.924 229 3HG2 VAL 29 HG23 VAL 29 35.533 5.233 6.503 230 H THR 30 HN THR 30 37.873 1.533 5.103 231 HA THR 30 HA THR 30 37.900 1.510 7.953 232 HB THR 30 HB THR 30 37.125 -0.428 6.654 233 HG1 THR 30 HG1 THR 30 38.739 -2.011 7.720 234 1HG2 THR 30 HG21 THR 30 40.001 -0.665 5.792 235 2HG2 THR 30 HG22 THR 30 38.613 -0.294 4.767 236 3HG2 THR 30 HG23 THR 30 38.758 -1.888 5.515 237 H ARG 31 HN ARG 31 40.098 2.612 5.847 238 HA ARG 31 HA ARG 31 42.629 2.012 6.624 239 1HB ARG 31 HB2 ARG 31 42.069 3.680 4.931 240 2HB ARG 31 HB1 ARG 31 41.421 4.745 6.167 241 1HG ARG 31 HG2 ARG 31 43.408 5.669 6.411 242 2HG ARG 31 HG1 ARG 31 44.086 4.110 6.885 243 1HD ARG 31 HD2 ARG 31 43.931 3.787 4.205 244 2HD ARG 31 HD1 ARG 31 44.213 5.526 4.309 245 HE ARG 31 HE ARG 31 46.296 5.135 5.310 246 1HH1 ARG 31 HH11 ARG 31 44.662 2.171 4.430 247 2HH1 ARG 31 HH12 ARG 31 46.048 1.165 4.705 248 1HH2 ARG 31 HH21 ARG 31 48.128 3.818 5.698 249 2HH2 ARG 31 HH22 ARG 31 48.034 2.108 5.398 250 H GLN 32 HN GLN 32 40.242 3.948 8.335 251 HA GLN 32 HA GLN 32 42.118 4.622 10.446 252 1HB GLN 32 HB2 GLN 32 40.134 5.872 11.393 253 2HB GLN 32 HB1 GLN 32 40.713 6.423 9.826 254 1HG GLN 32 HG2 GLN 32 38.616 6.294 9.140 255 2HG GLN 32 HG1 GLN 32 38.799 4.541 9.186 256 1HE2 GLN 32 HE21 GLN 32 38.889 4.208 12.009 257 2HE2 GLN 32 HE22 GLN 32 37.296 4.571 12.607 258 H ARG 33 HN ARG 33 40.390 1.900 9.848 259 HA ARG 33 HA ARG 33 39.051 1.339 12.235 260 1HB ARG 33 HB2 ARG 33 39.953 -0.174 9.984 261 2HB ARG 33 HB1 ARG 33 40.445 -1.026 11.442 262 1HG ARG 33 HG2 ARG 33 38.279 -1.801 10.691 263 2HG ARG 33 HG1 ARG 33 38.136 -0.985 12.250 264 1HD ARG 33 HD2 ARG 33 37.566 1.107 10.901 265 2HD ARG 33 HD1 ARG 33 37.353 0.022 9.529 266 HE ARG 33 HE ARG 33 35.406 -0.778 10.480 267 1HH1 ARG 33 HH11 ARG 33 37.102 1.224 12.809 268 2HH1 ARG 33 HH12 ARG 33 35.725 1.406 13.847 269 1HH2 ARG 33 HH21 ARG 33 33.583 -0.498 11.833 270 2HH2 ARG 33 HH22 ARG 33 33.729 0.436 13.291 271 H TYR 34 HN TYR 34 42.439 1.128 11.387 272 HA TYR 34 HA TYR 34 43.159 1.955 13.981 273 1HB TYR 34 HB2 TYR 34 42.807 -0.536 14.328 274 2HB TYR 34 HB1 TYR 34 44.163 -0.805 13.234 275 HD1 TYR 34 HD1 TYR 34 43.247 0.896 16.421 276 HD2 TYR 34 HD2 TYR 34 46.346 -0.813 14.057 277 HE1 TYR 34 HE1 TYR 34 44.813 1.153 18.297 278 HE2 TYR 34 HE2 TYR 34 47.918 -0.563 15.931 279 HH TYR 34 HH TYR 34 47.062 1.213 18.818 280 1HN NH2 35 H1 NH2 35 45.725 1.362 10.834 281 2HN NH2 35 H2 NH2 35 44.394 0.288 11.076 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 26.440 9.674 -7.167 2 2H ILE 1 HT2 ILE 1 27.265 10.769 -8.162 3 3H ILE 1 HT3 ILE 1 26.686 11.272 -6.649 4 HA ILE 1 HA ILE 1 28.688 9.119 -6.980 5 HB ILE 1 HB ILE 1 29.366 11.463 -7.861 6 1HG1 ILE 1 HG12 ILE 1 31.555 11.082 -6.205 7 2HG1 ILE 1 HG11 ILE 1 30.791 9.496 -6.248 8 1HG2 ILE 1 HG21 ILE 1 29.683 11.991 -4.912 9 2HG2 ILE 1 HG22 ILE 1 28.422 12.693 -5.925 10 3HG2 ILE 1 HG23 ILE 1 30.116 13.065 -6.244 11 1HD1 ILE 1 HD11 ILE 1 31.903 11.096 -8.522 12 2HD1 ILE 1 HD12 ILE 1 30.778 9.763 -8.781 13 3HD1 ILE 1 HD13 ILE 1 32.329 9.466 -7.998 14 H LYS 2 HN LYS 2 26.348 10.553 -5.098 15 HA LYS 2 HA LYS 2 27.816 10.132 -2.589 16 1HB LYS 2 HB2 LYS 2 25.245 11.615 -3.159 17 2HB LYS 2 HB1 LYS 2 25.908 11.368 -1.549 18 1HG LYS 2 HG2 LYS 2 27.699 12.586 -3.564 19 2HG LYS 2 HG1 LYS 2 26.359 13.569 -2.969 20 1HD LYS 2 HD2 LYS 2 27.138 13.515 -0.770 21 2HD LYS 2 HD1 LYS 2 28.151 12.101 -1.068 22 1HE LYS 2 HE2 LYS 2 29.844 13.540 -1.264 23 2HE LYS 2 HE1 LYS 2 29.152 13.959 -2.829 24 1HZ LYS 2 HZ1 LYS 2 27.967 15.348 -0.588 25 2HZ LYS 2 HZ2 LYS 2 28.487 15.945 -2.091 26 3HZ LYS 2 HZ3 LYS 2 29.607 15.707 -0.842 27 HA PRO 3 HA PRO 3 25.504 6.335 -2.044 28 1HB PRO 3 HB2 PRO 3 26.514 6.540 0.722 29 2HB PRO 3 HB1 PRO 3 26.750 5.255 -0.467 30 1HG PRO 3 HG2 PRO 3 28.742 6.910 0.223 31 2HG PRO 3 HG1 PRO 3 28.569 6.302 -1.434 32 1HD PRO 3 HD2 PRO 3 27.837 8.981 -0.312 33 2HD PRO 3 HD1 PRO 3 28.591 8.576 -1.870 34 H GLU 4 HN GLU 4 25.302 9.236 -0.164 35 HA GLU 4 HA GLU 4 23.008 8.396 1.371 36 1HB GLU 4 HB2 GLU 4 23.084 11.031 1.838 37 2HB GLU 4 HB1 GLU 4 24.138 9.897 2.670 38 1HG GLU 4 HG2 GLU 4 25.996 10.573 1.529 39 2HG GLU 4 HG1 GLU 4 25.081 11.080 0.110 40 H ALA 5 HN ALA 5 21.733 7.832 -0.506 41 HA ALA 5 HA ALA 5 19.959 9.952 -1.202 42 1HB ALA 5 HB1 ALA 5 20.818 8.893 -3.739 43 2HB ALA 5 HB2 ALA 5 22.162 9.641 -2.874 44 3HB ALA 5 HB3 ALA 5 20.695 10.570 -3.201 45 HA PRO 6 HA PRO 6 18.137 5.903 -2.786 46 1HB PRO 6 HB2 PRO 6 19.610 3.815 -3.544 47 2HB PRO 6 HB1 PRO 6 19.475 5.251 -4.567 48 1HG PRO 6 HG2 PRO 6 21.726 4.366 -2.832 49 2HG PRO 6 HG1 PRO 6 21.769 5.213 -4.386 50 1HD PRO 6 HD2 PRO 6 22.020 6.373 -1.834 51 2HD PRO 6 HD1 PRO 6 21.769 7.232 -3.365 52 H GLY 7 HN GLY 7 17.879 3.441 -2.174 53 1HA GLY 7 HA2 GLY 7 18.814 3.115 0.613 54 2HA GLY 7 HA1 GLY 7 17.162 2.756 0.127 55 H GLU 8 HN GLU 8 16.944 0.623 0.309 56 HA GLU 8 HA GLU 8 19.043 -1.087 -0.853 57 1HB GLU 8 HB2 GLU 8 16.906 -1.823 1.155 58 2HB GLU 8 HB1 GLU 8 18.179 -2.881 0.566 59 1HG GLU 8 HG2 GLU 8 19.605 -2.127 2.080 60 2HG GLU 8 HG1 GLU 8 19.294 -0.455 1.621 61 H ASP 9 HN ASP 9 16.170 0.226 -1.655 62 HA ASP 9 HA ASP 9 15.278 -2.148 -3.137 63 1HB ASP 9 HB2 ASP 9 12.989 -0.699 -2.982 64 2HB ASP 9 HB1 ASP 9 13.413 -1.983 -1.859 65 H ALA 10 HN ALA 10 16.858 -1.155 -4.657 66 HA ALA 10 HA ALA 10 15.779 1.024 -6.250 67 1HB ALA 10 HB1 ALA 10 18.239 -0.636 -6.722 68 2HB ALA 10 HB2 ALA 10 18.210 0.872 -5.808 69 3HB ALA 10 HB3 ALA 10 17.814 0.874 -7.528 70 H SER 11 HN SER 11 16.026 0.502 -8.783 71 HA SER 11 HA SER 11 14.270 -1.457 -9.656 72 1HB SER 11 HB2 SER 11 16.641 -1.123 -11.351 73 2HB SER 11 HB1 SER 11 14.948 -0.791 -11.731 74 HG SER 11 HG SER 11 16.797 0.990 -11.309 75 HA PRO 12 HA PRO 12 15.583 -5.383 -8.274 76 1HB PRO 12 HB2 PRO 12 15.808 -5.951 -11.209 77 2HB PRO 12 HB1 PRO 12 15.127 -6.958 -9.925 78 1HG PRO 12 HG2 PRO 12 13.611 -5.363 -11.543 79 2HG PRO 12 HG1 PRO 12 13.149 -5.816 -9.896 80 1HD PRO 12 HD2 PRO 12 13.835 -3.202 -10.905 81 2HD PRO 12 HD1 PRO 12 13.311 -3.648 -9.271 82 H GLU 13 HN GLU 13 17.591 -4.059 -7.721 83 HA GLU 13 HA GLU 13 19.749 -4.456 -7.109 84 1HB GLU 13 HB2 GLU 13 19.206 -6.857 -8.328 85 2HB GLU 13 HB1 GLU 13 20.561 -6.256 -9.276 86 1HG GLU 13 HG2 GLU 13 20.795 -7.677 -6.995 87 2HG GLU 13 HG1 GLU 13 22.027 -6.577 -7.612 88 H GLU 14 HN GLU 14 19.220 -2.258 -8.305 89 HA GLU 14 HA GLU 14 21.088 -1.923 -10.550 90 1HB GLU 14 HB2 GLU 14 18.530 -0.952 -10.114 91 2HB GLU 14 HB1 GLU 14 19.557 0.419 -9.721 92 1HG GLU 14 HG2 GLU 14 20.654 -0.438 -12.058 93 2HG GLU 14 HG1 GLU 14 18.944 -0.800 -12.301 94 H LEU 15 HN LEU 15 21.289 -1.965 -7.365 95 HA LEU 15 HA LEU 15 23.049 0.391 -7.204 96 1HB LEU 15 HB2 LEU 15 21.348 -0.932 -5.097 97 2HB LEU 15 HB1 LEU 15 22.619 0.210 -4.711 98 HG LEU 15 HG LEU 15 20.138 0.788 -6.321 99 1HD1 LEU 15 HD11 LEU 15 20.014 0.475 -3.779 100 2HD1 LEU 15 HD12 LEU 15 19.335 1.950 -4.470 101 3HD1 LEU 15 HD13 LEU 15 20.917 1.990 -3.691 102 1HD2 LEU 15 HD21 LEU 15 21.704 2.220 -7.251 103 2HD2 LEU 15 HD22 LEU 15 22.590 2.398 -5.735 104 3HD2 LEU 15 HD23 LEU 15 21.028 3.190 -5.939 105 H ASN 16 HN ASN 16 23.300 -2.762 -7.700 106 HA ASN 16 HA ASN 16 24.662 -3.785 -5.471 107 1HB ASN 16 HB2 ASN 16 23.745 -4.923 -7.743 108 2HB ASN 16 HB1 ASN 16 25.477 -4.896 -8.080 109 1HD2 ASN 16 HD21 ASN 16 23.297 -5.573 -5.362 110 2HD2 ASN 16 HD22 ASN 16 24.143 -6.992 -4.818 111 H ARG 17 HN ARG 17 25.959 -2.315 -8.439 112 HA ARG 17 HA ARG 17 28.630 -2.527 -7.391 113 1HB ARG 17 HB2 ARG 17 28.895 -0.641 -9.338 114 2HB ARG 17 HB1 ARG 17 29.144 -2.365 -9.530 115 1HG ARG 17 HG2 ARG 17 27.649 -2.305 -11.163 116 2HG ARG 17 HG1 ARG 17 26.415 -2.013 -9.950 117 1HD ARG 17 HD2 ARG 17 27.012 0.450 -10.158 118 2HD ARG 17 HD1 ARG 17 27.908 -0.008 -11.606 119 HE ARG 17 HE ARG 17 25.846 -0.691 -12.614 120 1HH1 ARG 17 HH11 ARG 17 25.534 1.190 -9.668 121 2HH1 ARG 17 HH12 ARG 17 23.838 1.491 -9.902 122 1HH2 ARG 17 HH21 ARG 17 23.657 -0.221 -12.959 123 2HH2 ARG 17 HH22 ARG 17 22.777 0.725 -11.796 124 H TYR 18 HN TYR 18 26.064 -0.326 -7.002 125 HA TYR 18 HA TYR 18 27.712 1.871 -6.204 126 1HB TYR 18 HB2 TYR 18 25.636 2.775 -6.390 127 2HB TYR 18 HB1 TYR 18 24.838 1.230 -6.128 128 HD1 TYR 18 HD1 TYR 18 26.705 3.858 -4.215 129 HD2 TYR 18 HD2 TYR 18 23.618 0.933 -4.195 130 HE1 TYR 18 HE1 TYR 18 26.076 4.543 -1.936 131 HE2 TYR 18 HE2 TYR 18 22.976 1.608 -1.936 132 HH TYR 18 HH TYR 18 23.650 4.343 -0.557 133 H TYR 19 HN TYR 19 26.092 -0.816 -4.587 134 HA TYR 19 HA TYR 19 27.076 -0.367 -1.990 135 1HB TYR 19 HB2 TYR 19 25.999 -2.744 -3.459 136 2HB TYR 19 HB1 TYR 19 26.728 -2.966 -1.873 137 HD1 TYR 19 HD1 TYR 19 23.984 -1.283 -3.693 138 HD2 TYR 19 HD2 TYR 19 25.546 -2.393 0.101 139 HE1 TYR 19 HE1 TYR 19 21.833 -0.718 -2.651 140 HE2 TYR 19 HE2 TYR 19 23.399 -1.818 1.159 141 HH TYR 19 HH TYR 19 20.954 -0.089 -0.459 142 H ALA 20 HN ALA 20 28.468 -1.732 -4.805 143 HA ALA 20 HA ALA 20 30.601 -3.126 -3.460 144 1HB ALA 20 HB1 ALA 20 29.764 -4.092 -5.469 145 2HB ALA 20 HB2 ALA 20 31.397 -3.515 -5.801 146 3HB ALA 20 HB3 ALA 20 30.003 -2.586 -6.357 147 H SER 21 HN SER 21 30.365 -0.352 -5.672 148 HA SER 21 HA SER 21 33.052 0.459 -5.415 149 1HB SER 21 HB2 SER 21 30.776 1.273 -6.874 150 2HB SER 21 HB1 SER 21 31.269 2.684 -5.928 151 HG SER 21 HG SER 21 32.591 1.344 -7.982 152 H LEU 22 HN LEU 22 30.126 1.164 -3.602 153 HA LEU 22 HA LEU 22 31.396 3.079 -1.877 154 1HB LEU 22 HB2 LEU 22 29.209 3.502 -1.648 155 2HB LEU 22 HB1 LEU 22 28.741 1.895 -2.155 156 HG LEU 22 HG LEU 22 29.616 1.352 0.336 157 1HD1 LEU 22 HD11 LEU 22 28.728 3.109 1.830 158 2HD1 LEU 22 HD12 LEU 22 28.538 4.160 0.426 159 3HD1 LEU 22 HD13 LEU 22 30.147 3.624 0.916 160 1HD2 LEU 22 HD21 LEU 22 26.861 2.388 -0.275 161 2HD2 LEU 22 HD22 LEU 22 27.313 1.229 0.976 162 3HD2 LEU 22 HD23 LEU 22 27.441 0.787 -0.726 163 H ARG 23 HN ARG 23 30.897 -0.416 -1.888 164 HA ARG 23 HA ARG 23 31.889 -0.802 0.761 165 1HB ARG 23 HB2 ARG 23 30.627 -2.539 -0.502 166 2HB ARG 23 HB1 ARG 23 32.040 -2.764 -1.528 167 1HG ARG 23 HG2 ARG 23 33.063 -2.972 1.023 168 2HG ARG 23 HG1 ARG 23 31.494 -3.785 1.131 169 1HD ARG 23 HD2 ARG 23 33.558 -4.358 -0.989 170 2HD ARG 23 HD1 ARG 23 33.396 -5.277 0.508 171 HE ARG 23 HE ARG 23 30.974 -5.086 -1.054 172 1HH1 ARG 23 HH11 ARG 23 33.885 -6.905 -0.395 173 2HH1 ARG 23 HH12 ARG 23 33.277 -8.380 -1.090 174 1HH2 ARG 23 HH21 ARG 23 30.139 -7.023 -1.930 175 2HH2 ARG 23 HH22 ARG 23 31.141 -8.451 -1.962 176 H HIS 24 HN HIS 24 33.437 -0.418 -2.365 177 HA HIS 24 HA HIS 24 36.053 -1.072 -1.478 178 1HB HIS 24 HB2 HIS 24 35.272 -0.798 -3.900 179 2HB HIS 24 HB1 HIS 24 35.420 0.939 -3.641 180 HD1 HIS 24 HD1 HIS 24 37.570 -2.196 -3.518 181 HD2 HIS 24 HD2 HIS 24 37.935 1.926 -3.993 182 HE1 HIS 24 HE1 HIS 24 40.001 -1.779 -4.050 183 HE2 HIS 24 HE2 HIS 24 40.181 0.712 -4.418 184 H TYR 25 HN TYR 25 34.156 1.878 -1.554 185 HA TYR 25 HA TYR 25 36.072 3.619 -0.467 186 1HB TYR 25 HB2 TYR 25 34.282 4.789 -1.282 187 2HB TYR 25 HB1 TYR 25 33.124 3.568 -0.785 188 HD1 TYR 25 HD1 TYR 25 35.502 5.831 1.047 189 HD2 TYR 25 HD2 TYR 25 31.514 4.423 0.584 190 HE1 TYR 25 HE1 TYR 25 34.786 7.269 2.901 191 HE2 TYR 25 HE2 TYR 25 30.784 5.860 2.433 192 HH TYR 25 HH TYR 25 31.397 7.688 3.695 193 H LEU 26 HN LEU 26 33.679 1.492 1.076 194 HA LEU 26 HA LEU 26 34.333 2.076 3.748 195 1HB LEU 26 HB2 LEU 26 33.275 -0.463 2.510 196 2HB LEU 26 HB1 LEU 26 33.373 -0.183 4.237 197 HG LEU 26 HG LEU 26 31.814 1.647 2.432 198 1HD1 LEU 26 HD11 LEU 26 31.200 -1.087 3.187 199 2HD1 LEU 26 HD12 LEU 26 30.401 -0.025 2.026 200 3HD1 LEU 26 HD13 LEU 26 29.973 0.057 3.734 201 1HD2 LEU 26 HD21 LEU 26 31.388 1.016 5.339 202 2HD2 LEU 26 HD22 LEU 26 30.774 2.382 4.410 203 3HD2 LEU 26 HD23 LEU 26 32.492 2.283 4.800 204 H ASN 27 HN ASN 27 35.467 -0.514 1.612 205 HA ASN 27 HA ASN 27 37.349 -1.764 3.143 206 1HB ASN 27 HB2 ASN 27 36.698 -2.181 0.685 207 2HB ASN 27 HB1 ASN 27 37.951 -1.005 0.291 208 1HD2 ASN 27 HD21 ASN 27 40.110 -1.530 0.628 209 2HD2 ASN 27 HD22 ASN 27 40.619 -3.162 0.905 210 H LEU 28 HN LEU 28 37.689 1.362 1.509 211 HA LEU 28 HA LEU 28 40.414 1.690 2.246 212 1HB LEU 28 HB2 LEU 28 39.605 3.045 0.437 213 2HB LEU 28 HB1 LEU 28 38.360 3.732 1.482 214 HG LEU 28 HG LEU 28 40.600 4.281 2.917 215 1HD1 LEU 28 HD11 LEU 28 41.298 4.591 -0.021 216 2HD1 LEU 28 HD12 LEU 28 42.084 3.524 1.142 217 3HD1 LEU 28 HD13 LEU 28 42.218 5.272 1.322 218 1HD2 LEU 28 HD21 LEU 28 38.609 5.685 1.417 219 2HD2 LEU 28 HD22 LEU 28 40.163 6.476 1.154 220 3HD2 LEU 28 HD23 LEU 28 39.558 6.245 2.793 221 H VAL 29 HN VAL 29 37.421 3.039 3.505 222 HA VAL 29 HA VAL 29 38.614 4.765 5.304 223 HB VAL 29 HB VAL 29 36.492 4.899 6.543 224 1HG1 VAL 29 HG11 VAL 29 35.388 5.067 3.898 225 2HG1 VAL 29 HG12 VAL 29 37.056 5.642 3.918 226 3HG1 VAL 29 HG13 VAL 29 35.863 6.355 5.006 227 1HG2 VAL 29 HG21 VAL 29 34.844 3.406 6.420 228 2HG2 VAL 29 HG22 VAL 29 36.037 2.335 5.684 229 3HG2 VAL 29 HG23 VAL 29 34.960 3.288 4.664 230 H THR 30 HN THR 30 38.223 1.364 5.531 231 HA THR 30 HA THR 30 38.570 0.902 8.258 232 HB THR 30 HB THR 30 39.588 -1.193 7.690 233 HG1 THR 30 HG1 THR 30 39.839 -0.508 4.963 234 1HG2 THR 30 HG21 THR 30 37.563 -0.324 5.636 235 2HG2 THR 30 HG22 THR 30 37.259 -1.140 7.175 236 3HG2 THR 30 HG23 THR 30 38.069 -2.001 5.864 237 H ARG 31 HN ARG 31 40.666 2.469 6.042 238 HA ARG 31 HA ARG 31 43.173 2.218 7.098 239 1HB ARG 31 HB2 ARG 31 41.822 4.088 5.439 240 2HB ARG 31 HB1 ARG 31 42.758 4.989 6.624 241 1HG ARG 31 HG2 ARG 31 44.785 3.986 5.937 242 2HG ARG 31 HG1 ARG 31 43.940 2.767 4.980 243 1HD ARG 31 HD2 ARG 31 44.900 4.475 3.542 244 2HD ARG 31 HD1 ARG 31 43.141 4.521 3.468 245 HE ARG 31 HE ARG 31 43.797 6.348 5.398 246 1HH1 ARG 31 HH11 ARG 31 44.663 5.908 2.032 247 2HH1 ARG 31 HH12 ARG 31 44.855 7.609 1.723 248 1HH2 ARG 31 HH21 ARG 31 44.065 8.561 5.015 249 2HH2 ARG 31 HH22 ARG 31 44.501 9.124 3.428 250 H GLN 32 HN GLN 32 40.529 4.269 8.195 251 HA GLN 32 HA GLN 32 41.929 4.825 10.704 252 1HB GLN 32 HB2 GLN 32 40.932 6.814 10.297 253 2HB GLN 32 HB1 GLN 32 39.801 6.116 9.151 254 1HG GLN 32 HG2 GLN 32 38.987 5.249 11.701 255 2HG GLN 32 HG1 GLN 32 39.361 6.965 11.843 256 1HE2 GLN 32 HE21 GLN 32 37.851 4.887 9.383 257 2HE2 GLN 32 HE22 GLN 32 36.456 5.887 9.146 258 H ARG 33 HN ARG 33 39.031 3.316 9.400 259 HA ARG 33 HA ARG 33 37.537 1.823 10.181 260 1HB ARG 33 HB2 ARG 33 40.066 0.825 10.752 261 2HB ARG 33 HB1 ARG 33 39.167 0.598 12.248 262 1HG ARG 33 HG2 ARG 33 37.388 -0.236 10.326 263 2HG ARG 33 HG1 ARG 33 38.943 -0.797 9.708 264 1HD ARG 33 HD2 ARG 33 38.418 -2.568 11.029 265 2HD ARG 33 HD1 ARG 33 39.243 -1.568 12.224 266 HE ARG 33 HE ARG 33 36.357 -2.031 12.015 267 1HH1 ARG 33 HH11 ARG 33 39.051 -0.575 13.713 268 2HH1 ARG 33 HH12 ARG 33 38.119 -0.176 15.126 269 1HH2 ARG 33 HH21 ARG 33 35.135 -1.544 13.884 270 2HH2 ARG 33 HH22 ARG 33 35.902 -0.745 15.223 271 H TYR 34 HN TYR 34 36.205 3.430 11.127 272 HA TYR 34 HA TYR 34 36.396 3.692 14.034 273 1HB TYR 34 HB2 TYR 34 35.692 5.497 12.016 274 2HB TYR 34 HB1 TYR 34 34.175 5.102 12.819 275 HD1 TYR 34 HD1 TYR 34 34.125 7.529 13.491 276 HD2 TYR 34 HD2 TYR 34 37.136 4.855 14.855 277 HE1 TYR 34 HE1 TYR 34 34.683 9.091 15.307 278 HE2 TYR 34 HE2 TYR 34 37.702 6.405 16.674 279 HH TYR 34 HH TYR 34 36.791 8.201 17.910 280 1HN NH2 35 H1 NH2 35 33.738 1.584 14.786 281 2HN NH2 35 H2 NH2 35 35.171 2.409 15.290 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 21.769 11.366 0.779 2 2H ILE 1 HT2 ILE 1 22.132 9.712 0.727 3 3H ILE 1 HT3 ILE 1 22.292 10.654 -0.668 4 HA ILE 1 HA ILE 1 24.007 11.990 0.553 5 HB ILE 1 HB ILE 1 24.832 9.836 2.265 6 1HG1 ILE 1 HG12 ILE 1 22.320 11.072 3.307 7 2HG1 ILE 1 HG11 ILE 1 22.204 9.661 2.262 8 1HG2 ILE 1 HG21 ILE 1 25.785 11.866 2.742 9 2HG2 ILE 1 HG22 ILE 1 24.516 11.805 3.967 10 3HG2 ILE 1 HG23 ILE 1 24.278 12.749 2.498 11 1HD1 ILE 1 HD11 ILE 1 23.981 8.703 3.958 12 2HD1 ILE 1 HD12 ILE 1 22.251 8.648 4.293 13 3HD1 ILE 1 HD13 ILE 1 23.251 9.904 5.025 14 H LYS 2 HN LYS 2 26.226 10.194 1.212 15 HA LYS 2 HA LYS 2 27.102 9.529 -1.340 16 1HB LYS 2 HB2 LYS 2 28.354 9.706 1.015 17 2HB LYS 2 HB1 LYS 2 28.214 7.957 0.923 18 1HG LYS 2 HG2 LYS 2 30.339 8.955 0.026 19 2HG LYS 2 HG1 LYS 2 29.486 7.845 -1.045 20 1HD LYS 2 HD2 LYS 2 28.565 10.543 -1.441 21 2HD LYS 2 HD1 LYS 2 30.320 10.456 -1.609 22 1HE LYS 2 HE2 LYS 2 30.185 8.891 -3.346 23 2HE LYS 2 HE1 LYS 2 28.508 8.491 -2.974 24 1HZ LYS 2 HZ1 LYS 2 29.249 11.212 -3.841 25 2HZ LYS 2 HZ2 LYS 2 27.742 10.437 -3.938 26 3HZ LYS 2 HZ3 LYS 2 29.001 9.982 -4.980 27 HA PRO 3 HA PRO 3 25.541 5.005 -0.705 28 1HB PRO 3 HB2 PRO 3 23.785 5.079 1.632 29 2HB PRO 3 HB1 PRO 3 25.102 3.961 1.268 30 1HG PRO 3 HG2 PRO 3 25.239 5.812 3.247 31 2HG PRO 3 HG1 PRO 3 26.659 5.239 2.356 32 1HD PRO 3 HD2 PRO 3 25.123 7.783 2.048 33 2HD PRO 3 HD1 PRO 3 26.873 7.495 1.947 34 H GLU 4 HN GLU 4 24.474 6.311 -2.430 35 HA GLU 4 HA GLU 4 21.887 7.440 -1.926 36 1HB GLU 4 HB2 GLU 4 23.821 7.483 -4.053 37 2HB GLU 4 HB1 GLU 4 22.229 7.123 -4.703 38 1HG GLU 4 HG2 GLU 4 23.253 9.589 -3.435 39 2HG GLU 4 HG1 GLU 4 22.168 9.386 -4.807 40 H ALA 5 HN ALA 5 19.924 6.800 -2.827 41 HA ALA 5 HA ALA 5 19.636 4.201 -4.054 42 1HB ALA 5 HB1 ALA 5 19.678 4.139 -1.353 43 2HB ALA 5 HB2 ALA 5 18.760 3.012 -2.353 44 3HB ALA 5 HB3 ALA 5 17.960 4.414 -1.642 45 HA PRO 6 HA PRO 6 16.745 7.546 -5.386 46 1HB PRO 6 HB2 PRO 6 16.937 6.074 -7.931 47 2HB PRO 6 HB1 PRO 6 17.175 7.795 -7.606 48 1HG PRO 6 HG2 PRO 6 19.238 6.188 -8.150 49 2HG PRO 6 HG1 PRO 6 19.380 7.505 -6.971 50 1HD PRO 6 HD2 PRO 6 19.023 4.569 -6.503 51 2HD PRO 6 HD1 PRO 6 20.054 5.732 -5.640 52 H GLY 7 HN GLY 7 16.550 4.152 -6.280 53 1HA GLY 7 HA2 GLY 7 14.499 3.112 -5.173 54 2HA GLY 7 HA1 GLY 7 13.617 4.336 -6.072 55 H GLU 8 HN GLU 8 13.452 4.157 -8.342 56 HA GLU 8 HA GLU 8 13.156 1.420 -9.124 57 1HB GLU 8 HB2 GLU 8 11.996 2.223 -11.016 58 2HB GLU 8 HB1 GLU 8 11.579 3.314 -9.706 59 1HG GLU 8 HG2 GLU 8 12.469 5.077 -10.740 60 2HG GLU 8 HG1 GLU 8 13.899 4.178 -11.244 61 H ASP 9 HN ASP 9 15.497 3.854 -9.631 62 HA ASP 9 HA ASP 9 16.912 2.185 -11.586 63 1HB ASP 9 HB2 ASP 9 18.314 4.217 -11.988 64 2HB ASP 9 HB1 ASP 9 16.618 4.439 -12.399 65 H ALA 10 HN ALA 10 17.132 0.883 -9.574 66 HA ALA 10 HA ALA 10 19.598 0.987 -8.297 67 1HB ALA 10 HB1 ALA 10 18.830 2.961 -7.113 68 2HB ALA 10 HB2 ALA 10 18.869 1.600 -5.990 69 3HB ALA 10 HB3 ALA 10 17.331 2.147 -6.664 70 H SER 11 HN SER 11 18.289 0.010 -5.740 71 HA SER 11 HA SER 11 17.551 -1.929 -4.858 72 1HB SER 11 HB2 SER 11 15.519 -1.693 -7.066 73 2HB SER 11 HB1 SER 11 15.312 -2.563 -5.542 74 HG SER 11 HG SER 11 15.104 0.118 -6.084 75 HA PRO 12 HA PRO 12 18.273 -5.615 -7.555 76 1HB PRO 12 HB2 PRO 12 17.076 -5.419 -10.191 77 2HB PRO 12 HB1 PRO 12 16.732 -6.572 -8.901 78 1HG PRO 12 HG2 PRO 12 14.960 -4.682 -9.691 79 2HG PRO 12 HG1 PRO 12 15.041 -5.294 -8.029 80 1HD PRO 12 HD2 PRO 12 16.188 -2.768 -9.171 81 2HD PRO 12 HD1 PRO 12 15.312 -3.016 -7.646 82 H GLU 13 HN GLU 13 18.566 -2.561 -9.006 83 HA GLU 13 HA GLU 13 20.752 -3.469 -10.713 84 1HB GLU 13 HB2 GLU 13 18.683 -1.429 -11.045 85 2HB GLU 13 HB1 GLU 13 20.299 -0.898 -11.494 86 1HG GLU 13 HG2 GLU 13 19.782 -1.785 -13.481 87 2HG GLU 13 HG1 GLU 13 20.200 -3.313 -12.706 88 H GLU 14 HN GLU 14 20.126 -0.223 -9.459 89 HA GLU 14 HA GLU 14 22.986 -0.001 -9.152 90 1HB GLU 14 HB2 GLU 14 20.862 1.817 -9.699 91 2HB GLU 14 HB1 GLU 14 21.748 2.392 -8.294 92 1HG GLU 14 HG2 GLU 14 22.659 2.061 -11.106 93 2HG GLU 14 HG1 GLU 14 22.915 3.396 -9.985 94 H LEU 15 HN LEU 15 20.709 -1.104 -7.087 95 HA LEU 15 HA LEU 15 21.730 0.059 -4.668 96 1HB LEU 15 HB2 LEU 15 19.556 -1.506 -5.246 97 2HB LEU 15 HB1 LEU 15 20.635 -2.669 -4.501 98 HG LEU 15 HG LEU 15 20.833 -0.928 -2.591 99 1HD1 LEU 15 HD11 LEU 15 19.796 0.964 -3.539 100 2HD1 LEU 15 HD12 LEU 15 18.660 0.341 -2.341 101 3HD1 LEU 15 HD13 LEU 15 18.392 0.033 -4.057 102 1HD2 LEU 15 HD21 LEU 15 18.317 -2.511 -3.088 103 2HD2 LEU 15 HD22 LEU 15 18.795 -1.840 -1.529 104 3HD2 LEU 15 HD23 LEU 15 19.789 -3.076 -2.298 105 H ASN 16 HN ASN 16 22.563 -2.504 -6.822 106 HA ASN 16 HA ASN 16 24.226 -4.058 -5.183 107 1HB ASN 16 HB2 ASN 16 23.947 -3.616 -8.125 108 2HB ASN 16 HB1 ASN 16 25.401 -4.425 -7.544 109 1HD2 ASN 16 HD21 ASN 16 22.075 -4.591 -6.335 110 2HD2 ASN 16 HD22 ASN 16 21.893 -6.289 -6.582 111 H ARG 17 HN ARG 17 25.023 -1.401 -7.423 112 HA ARG 17 HA ARG 17 27.736 -1.360 -6.448 113 1HB ARG 17 HB2 ARG 17 26.282 0.237 -8.515 114 2HB ARG 17 HB1 ARG 17 27.858 0.737 -7.904 115 1HG ARG 17 HG2 ARG 17 28.671 -1.580 -8.525 116 2HG ARG 17 HG1 ARG 17 27.158 -1.754 -9.420 117 1HD ARG 17 HD2 ARG 17 28.755 0.701 -9.868 118 2HD ARG 17 HD1 ARG 17 29.373 -0.810 -10.538 119 HE ARG 17 HE ARG 17 26.652 0.184 -11.114 120 1HH1 ARG 17 HH11 ARG 17 29.733 -1.116 -12.141 121 2HH1 ARG 17 HH12 ARG 17 29.253 -1.302 -13.802 122 1HH2 ARG 17 HH21 ARG 17 26.005 -0.067 -13.298 123 2HH2 ARG 17 HH22 ARG 17 27.132 -0.714 -14.460 124 H TYR 18 HN TYR 18 24.903 -0.151 -5.221 125 HA TYR 18 HA TYR 18 26.154 2.235 -4.157 126 1HB TYR 18 HB2 TYR 18 24.031 2.884 -3.886 127 2HB TYR 18 HB1 TYR 18 23.473 1.311 -4.425 128 HD1 TYR 18 HD1 TYR 18 24.397 3.280 -1.412 129 HD2 TYR 18 HD2 TYR 18 22.463 -0.189 -2.933 130 HE1 TYR 18 HE1 TYR 18 23.395 2.866 0.798 131 HE2 TYR 18 HE2 TYR 18 21.472 -0.609 -0.746 132 HH TYR 18 HH TYR 18 21.694 1.693 1.855 133 H TYR 19 HN TYR 19 25.406 -1.053 -3.226 134 HA TYR 19 HA TYR 19 26.649 -0.880 -0.652 135 1HB TYR 19 HB2 TYR 19 25.879 -3.166 -2.458 136 2HB TYR 19 HB1 TYR 19 26.767 -3.439 -0.966 137 HD1 TYR 19 HD1 TYR 19 23.561 -2.854 -2.460 138 HD2 TYR 19 HD2 TYR 19 25.695 -2.736 1.218 139 HE1 TYR 19 HE1 TYR 19 21.436 -2.917 -1.227 140 HE2 TYR 19 HE2 TYR 19 23.573 -2.790 2.463 141 HH TYR 19 HH TYR 19 21.047 -2.043 1.818 142 H ALA 20 HN ALA 20 27.664 -1.265 -3.886 143 HA ALA 20 HA ALA 20 30.265 -2.351 -3.300 144 1HB ALA 20 HB1 ALA 20 30.587 -2.333 -5.665 145 2HB ALA 20 HB2 ALA 20 29.207 -1.251 -5.884 146 3HB ALA 20 HB3 ALA 20 28.953 -2.909 -5.331 147 H SER 21 HN SER 21 28.917 0.767 -4.358 148 HA SER 21 HA SER 21 31.453 2.070 -4.417 149 1HB SER 21 HB2 SER 21 30.121 4.156 -4.523 150 2HB SER 21 HB1 SER 21 29.529 2.953 -5.677 151 HG SER 21 HG SER 21 27.681 3.169 -4.745 152 H LEU 22 HN LEU 22 28.918 1.518 -2.070 153 HA LEU 22 HA LEU 22 30.097 2.939 0.090 154 1HB LEU 22 HB2 LEU 22 27.982 0.959 -0.270 155 2HB LEU 22 HB1 LEU 22 28.883 0.705 1.209 156 HG LEU 22 HG LEU 22 26.979 2.832 0.506 157 1HD1 LEU 22 HD11 LEU 22 26.384 2.657 2.779 158 2HD1 LEU 22 HD12 LEU 22 27.911 1.880 3.197 159 3HD1 LEU 22 HD13 LEU 22 26.715 1.013 2.234 160 1HD2 LEU 22 HD21 LEU 22 28.529 4.468 0.675 161 2HD2 LEU 22 HD22 LEU 22 29.667 3.451 1.561 162 3HD2 LEU 22 HD23 LEU 22 28.305 4.191 2.402 163 H ARG 23 HN ARG 23 30.468 -0.367 -1.185 164 HA ARG 23 HA ARG 23 32.387 -1.024 0.856 165 1HB ARG 23 HB2 ARG 23 30.888 -2.598 -0.715 166 2HB ARG 23 HB1 ARG 23 32.390 -2.617 -1.639 167 1HG ARG 23 HG2 ARG 23 33.015 -2.927 1.122 168 2HG ARG 23 HG1 ARG 23 31.764 -4.101 0.685 169 1HD ARG 23 HD2 ARG 23 34.517 -3.755 -0.470 170 2HD ARG 23 HD1 ARG 23 33.833 -5.173 0.321 171 HE ARG 23 HE ARG 23 33.322 -4.269 -2.422 172 1HH1 ARG 23 HH11 ARG 23 32.836 -6.646 0.116 173 2HH1 ARG 23 HH12 ARG 23 32.250 -7.877 -0.961 174 1HH2 ARG 23 HH21 ARG 23 32.579 -5.903 -3.851 175 2HH2 ARG 23 HH22 ARG 23 32.130 -7.462 -3.226 176 H HIS 24 HN HIS 24 32.589 0.727 -2.036 177 HA HIS 24 HA HIS 24 35.400 0.328 -2.478 178 1HB HIS 24 HB2 HIS 24 33.264 1.823 -3.693 179 2HB HIS 24 HB1 HIS 24 34.615 2.904 -3.380 180 HD1 HIS 24 HD1 HIS 24 33.520 1.741 -6.208 181 HD2 HIS 24 HD2 HIS 24 36.981 0.659 -4.166 182 HE1 HIS 24 HE1 HIS 24 35.070 0.799 -7.945 183 HE2 HIS 24 HE2 HIS 24 37.227 0.359 -6.724 184 H TYR 25 HN TYR 25 33.352 2.681 -0.907 185 HA TYR 25 HA TYR 25 35.378 4.282 0.215 186 1HB TYR 25 HB2 TYR 25 33.300 5.292 0.128 187 2HB TYR 25 HB1 TYR 25 32.451 3.838 0.622 188 HD1 TYR 25 HD1 TYR 25 31.162 4.398 2.416 189 HD2 TYR 25 HD2 TYR 25 35.187 5.762 2.307 190 HE1 TYR 25 HE1 TYR 25 30.897 5.329 4.659 191 HE2 TYR 25 HE2 TYR 25 34.944 6.687 4.570 192 HH TYR 25 HH TYR 25 32.344 7.477 5.929 193 H LEU 26 HN LEU 26 33.582 1.468 1.418 194 HA LEU 26 HA LEU 26 34.878 1.293 3.927 195 1HB LEU 26 HB2 LEU 26 33.540 -0.796 2.215 196 2HB LEU 26 HB1 LEU 26 34.144 -1.115 3.830 197 HG LEU 26 HG LEU 26 32.044 0.946 3.185 198 1HD1 LEU 26 HD11 LEU 26 31.343 -1.523 4.647 199 2HD1 LEU 26 HD12 LEU 26 31.638 -1.690 2.917 200 3HD1 LEU 26 HD13 LEU 26 30.401 -0.576 3.495 201 1HD2 LEU 26 HD21 LEU 26 31.666 0.457 5.747 202 2HD2 LEU 26 HD22 LEU 26 32.869 1.627 5.209 203 3HD2 LEU 26 HD23 LEU 26 33.368 0.003 5.678 204 H ASN 27 HN ASN 27 35.481 -0.365 0.837 205 HA ASN 27 HA ASN 27 37.820 -1.699 1.394 206 1HB ASN 27 HB2 ASN 27 36.537 -1.522 -0.825 207 2HB ASN 27 HB1 ASN 27 37.515 -0.090 -1.130 208 1HD2 ASN 27 HD21 ASN 27 38.946 -0.621 -2.604 209 2HD2 ASN 27 HD22 ASN 27 39.950 -2.033 -2.582 210 H LEU 28 HN LEU 28 37.395 1.777 1.016 211 HA LEU 28 HA LEU 28 40.203 2.343 1.057 212 1HB LEU 28 HB2 LEU 28 38.653 3.975 0.104 213 2HB LEU 28 HB1 LEU 28 37.878 4.136 1.681 214 HG LEU 28 HG LEU 28 40.404 4.662 2.382 215 1HD1 LEU 28 HD11 LEU 28 40.210 5.164 -0.527 216 2HD1 LEU 28 HD12 LEU 28 41.615 4.803 0.474 217 3HD1 LEU 28 HD13 LEU 28 40.955 6.439 0.439 218 1HD2 LEU 28 HD21 LEU 28 38.326 5.980 2.805 219 2HD2 LEU 28 HD22 LEU 28 38.539 6.739 1.227 220 3HD2 LEU 28 HD23 LEU 28 39.751 6.970 2.489 221 H VAL 29 HN VAL 29 37.627 2.792 3.393 222 HA VAL 29 HA VAL 29 39.162 3.855 5.421 223 HB VAL 29 HB VAL 29 37.397 3.311 7.004 224 1HG1 VAL 29 HG11 VAL 29 37.171 4.856 4.693 225 2HG1 VAL 29 HG12 VAL 29 36.251 5.019 6.189 226 3HG1 VAL 29 HG13 VAL 29 35.622 4.033 4.868 227 1HG2 VAL 29 HG21 VAL 29 35.460 2.128 5.281 228 2HG2 VAL 29 HG22 VAL 29 36.109 1.519 6.805 229 3HG2 VAL 29 HG23 VAL 29 36.913 1.123 5.282 230 H THR 30 HN THR 30 38.832 0.545 4.478 231 HA THR 30 HA THR 30 40.034 -0.504 6.884 232 HB THR 30 HB THR 30 38.414 -1.810 5.501 233 HG1 THR 30 HG1 THR 30 39.501 -3.171 6.753 234 1HG2 THR 30 HG21 THR 30 39.072 -1.248 3.282 235 2HG2 THR 30 HG22 THR 30 39.347 -2.979 3.495 236 3HG2 THR 30 HG23 THR 30 40.706 -1.858 3.548 237 H ARG 31 HN ARG 31 41.291 1.530 4.968 238 HA ARG 31 HA ARG 31 43.557 0.732 3.698 239 1HB ARG 31 HB2 ARG 31 42.575 3.140 4.851 240 2HB ARG 31 HB1 ARG 31 44.268 2.981 5.297 241 1HG ARG 31 HG2 ARG 31 44.698 2.539 2.822 242 2HG ARG 31 HG1 ARG 31 43.062 3.147 2.557 243 1HD ARG 31 HD2 ARG 31 43.614 5.284 3.133 244 2HD ARG 31 HD1 ARG 31 44.875 4.768 4.255 245 HE ARG 31 HE ARG 31 46.036 4.096 2.008 246 1HH1 ARG 31 HH11 ARG 31 44.165 6.998 2.696 247 2HH1 ARG 31 HH12 ARG 31 45.006 7.959 1.509 248 1HH2 ARG 31 HH21 ARG 31 47.131 5.381 0.453 249 2HH2 ARG 31 HH22 ARG 31 46.672 7.051 0.246 250 H GLN 32 HN GLN 32 43.343 1.590 7.131 251 HA GLN 32 HA GLN 32 45.840 0.137 7.637 252 1HB GLN 32 HB2 GLN 32 46.089 1.409 9.610 253 2HB GLN 32 HB1 GLN 32 45.536 2.544 8.389 254 1HG GLN 32 HG2 GLN 32 43.838 1.279 10.534 255 2HG GLN 32 HG1 GLN 32 44.444 2.933 10.523 256 1HE2 GLN 32 HE21 GLN 32 41.727 1.364 10.232 257 2HE2 GLN 32 HE22 GLN 32 40.908 2.293 9.024 258 H ARG 33 HN ARG 33 42.529 -0.212 7.850 259 HA ARG 33 HA ARG 33 41.106 -1.670 8.826 260 1HB ARG 33 HB2 ARG 33 42.924 -3.206 7.778 261 2HB ARG 33 HB1 ARG 33 43.411 -3.486 9.445 262 1HG ARG 33 HG2 ARG 33 41.597 -4.738 9.913 263 2HG ARG 33 HG1 ARG 33 40.534 -3.780 8.877 264 1HD ARG 33 HD2 ARG 33 40.841 -5.143 7.118 265 2HD ARG 33 HD1 ARG 33 42.578 -5.256 7.401 266 HE ARG 33 HE ARG 33 40.522 -7.062 8.367 267 1HH1 ARG 33 HH11 ARG 33 43.842 -5.992 8.643 268 2HH1 ARG 33 HH12 ARG 33 44.397 -7.460 9.384 269 1HH2 ARG 33 HH21 ARG 33 41.251 -9.013 9.329 270 2HH2 ARG 33 HH22 ARG 33 42.935 -9.191 9.735 271 H TYR 34 HN TYR 34 40.724 -0.200 10.564 272 HA TYR 34 HA TYR 34 42.031 -0.995 13.088 273 1HB TYR 34 HB2 TYR 34 41.692 1.595 11.905 274 2HB TYR 34 HB1 TYR 34 40.797 1.531 13.420 275 HD1 TYR 34 HD1 TYR 34 41.983 2.501 15.136 276 HD2 TYR 34 HD2 TYR 34 44.084 0.151 12.278 277 HE1 TYR 34 HE1 TYR 34 44.068 2.846 16.394 278 HE2 TYR 34 HE2 TYR 34 46.173 0.490 13.526 279 HH TYR 34 HH TYR 34 46.434 2.792 16.081 280 1HN NH2 35 H1 NH2 35 37.989 -0.906 12.769 281 2HN NH2 35 H2 NH2 35 39.008 -0.434 11.454 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 31.307 12.306 -5.812 2 2H ILE 1 HT2 ILE 1 29.937 11.517 -6.431 3 3H ILE 1 HT3 ILE 1 31.483 11.093 -6.985 4 HA ILE 1 HA ILE 1 30.518 9.482 -5.418 5 HB ILE 1 HB ILE 1 32.611 9.890 -3.710 6 1HG1 ILE 1 HG12 ILE 1 33.876 10.786 -6.222 7 2HG1 ILE 1 HG11 ILE 1 32.905 12.004 -5.401 8 1HG2 ILE 1 HG21 ILE 1 33.766 8.762 -5.985 9 2HG2 ILE 1 HG22 ILE 1 32.053 8.354 -6.076 10 3HG2 ILE 1 HG23 ILE 1 32.991 7.917 -4.645 11 1HD1 ILE 1 HD11 ILE 1 34.996 12.355 -4.511 12 2HD1 ILE 1 HD12 ILE 1 35.392 10.635 -4.484 13 3HD1 ILE 1 HD13 ILE 1 34.261 11.299 -3.305 14 H LYS 2 HN LYS 2 28.665 9.946 -4.309 15 HA LYS 2 HA LYS 2 28.990 10.945 -1.626 16 1HB LYS 2 HB2 LYS 2 28.325 12.822 -3.535 17 2HB LYS 2 HB1 LYS 2 26.756 12.339 -2.906 18 1HG LYS 2 HG2 LYS 2 27.754 12.737 -0.592 19 2HG LYS 2 HG1 LYS 2 29.058 13.572 -1.439 20 1HD LYS 2 HD2 LYS 2 27.578 15.286 -0.919 21 2HD LYS 2 HD1 LYS 2 27.169 14.891 -2.589 22 1HE LYS 2 HE2 LYS 2 25.547 13.194 -1.193 23 2HE LYS 2 HE1 LYS 2 25.584 14.609 -0.141 24 1HZ LYS 2 HZ1 LYS 2 23.859 14.402 -2.089 25 2HZ LYS 2 HZ2 LYS 2 25.143 15.029 -3.008 26 3HZ LYS 2 HZ3 LYS 2 24.547 15.899 -1.681 27 HA PRO 3 HA PRO 3 26.000 7.521 -1.713 28 1HB PRO 3 HB2 PRO 3 26.627 7.491 1.165 29 2HB PRO 3 HB1 PRO 3 26.782 6.202 -0.030 30 1HG PRO 3 HG2 PRO 3 28.929 7.424 1.002 31 2HG PRO 3 HG1 PRO 3 28.886 6.878 -0.686 32 1HD PRO 3 HD2 PRO 3 28.509 9.636 0.425 33 2HD PRO 3 HD1 PRO 3 29.421 9.112 -1.008 34 H GLU 4 HN GLU 4 24.312 9.128 -2.072 35 HA GLU 4 HA GLU 4 22.514 9.333 0.147 36 1HB GLU 4 HB2 GLU 4 24.297 11.416 -0.057 37 2HB GLU 4 HB1 GLU 4 22.930 12.008 -0.989 38 1HG GLU 4 HG2 GLU 4 21.757 12.438 0.845 39 2HG GLU 4 HG1 GLU 4 22.079 10.834 1.504 40 H ALA 5 HN ALA 5 20.567 9.045 -0.612 41 HA ALA 5 HA ALA 5 18.710 9.998 -1.765 42 1HB ALA 5 HB1 ALA 5 20.736 10.465 -3.844 43 2HB ALA 5 HB2 ALA 5 19.389 11.474 -3.309 44 3HB ALA 5 HB3 ALA 5 19.097 10.113 -4.394 45 HA PRO 6 HA PRO 6 18.600 6.358 -5.008 46 1HB PRO 6 HB2 PRO 6 20.932 4.759 -4.072 47 2HB PRO 6 HB1 PRO 6 20.310 5.002 -5.710 48 1HG PRO 6 HG2 PRO 6 22.505 6.259 -4.926 49 2HG PRO 6 HG1 PRO 6 21.293 7.097 -5.914 50 1HD PRO 6 HD2 PRO 6 21.810 7.302 -2.972 51 2HD PRO 6 HD1 PRO 6 21.415 8.581 -4.139 52 H GLY 7 HN GLY 7 16.883 5.382 -4.242 53 1HA GLY 7 HA2 GLY 7 17.070 3.050 -2.644 54 2HA GLY 7 HA1 GLY 7 16.438 4.392 -1.695 55 H GLU 8 HN GLU 8 14.522 2.931 -1.597 56 HA GLU 8 HA GLU 8 12.359 2.483 -2.128 57 1HB GLU 8 HB2 GLU 8 12.904 5.129 -3.110 58 2HB GLU 8 HB1 GLU 8 11.752 4.332 -4.175 59 1HG GLU 8 HG2 GLU 8 10.146 4.804 -2.740 60 2HG GLU 8 HG1 GLU 8 10.933 3.775 -1.546 61 H ASP 9 HN ASP 9 13.315 0.510 -3.118 62 HA ASP 9 HA ASP 9 13.240 -1.107 -4.714 63 1HB ASP 9 HB2 ASP 9 10.887 0.396 -5.026 64 2HB ASP 9 HB1 ASP 9 11.505 0.142 -6.655 65 H ALA 10 HN ALA 10 15.475 -0.379 -5.144 66 HA ALA 10 HA ALA 10 15.882 1.346 -7.430 67 1HB ALA 10 HB1 ALA 10 17.477 0.372 -5.204 68 2HB ALA 10 HB2 ALA 10 17.609 1.871 -6.127 69 3HB ALA 10 HB3 ALA 10 18.350 0.391 -6.735 70 H SER 11 HN SER 11 14.564 -0.561 -8.544 71 HA SER 11 HA SER 11 14.548 -2.119 -10.203 72 1HB SER 11 HB2 SER 11 17.467 -1.363 -10.543 73 2HB SER 11 HB1 SER 11 16.408 -2.061 -11.764 74 HG SER 11 HG SER 11 16.818 0.462 -11.405 75 HA PRO 12 HA PRO 12 16.564 -5.983 -8.827 76 1HB PRO 12 HB2 PRO 12 18.001 -6.957 -10.935 77 2HB PRO 12 HB1 PRO 12 16.245 -7.109 -10.804 78 1HG PRO 12 HG2 PRO 12 17.866 -5.097 -12.324 79 2HG PRO 12 HG1 PRO 12 16.429 -5.997 -12.851 80 1HD PRO 12 HD2 PRO 12 16.261 -3.450 -12.033 81 2HD PRO 12 HD1 PRO 12 14.983 -4.623 -11.657 82 H GLU 13 HN GLU 13 17.866 -3.937 -7.807 83 HA GLU 13 HA GLU 13 19.803 -3.431 -6.736 84 1HB GLU 13 HB2 GLU 13 20.774 -5.937 -8.108 85 2HB GLU 13 HB1 GLU 13 21.793 -4.980 -7.043 86 1HG GLU 13 HG2 GLU 13 19.144 -6.088 -6.167 87 2HG GLU 13 HG1 GLU 13 20.648 -6.997 -6.034 88 H GLU 14 HN GLU 14 19.281 -1.822 -8.658 89 HA GLU 14 HA GLU 14 21.055 -1.677 -10.846 90 1HB GLU 14 HB2 GLU 14 18.793 -0.488 -10.417 91 2HB GLU 14 HB1 GLU 14 19.763 0.726 -9.595 92 1HG GLU 14 HG2 GLU 14 21.098 0.944 -11.709 93 2HG GLU 14 HG1 GLU 14 19.889 -0.085 -12.481 94 H LEU 15 HN LEU 15 21.136 -0.253 -7.628 95 HA LEU 15 HA LEU 15 23.613 1.148 -8.239 96 1HB LEU 15 HB2 LEU 15 22.895 1.694 -5.611 97 2HB LEU 15 HB1 LEU 15 22.690 2.732 -7.007 98 HG LEU 15 HG LEU 15 20.546 0.756 -6.633 99 1HD1 LEU 15 HD11 LEU 15 20.284 1.105 -4.445 100 2HD1 LEU 15 HD12 LEU 15 19.721 2.713 -4.900 101 3HD1 LEU 15 HD13 LEU 15 21.404 2.466 -4.435 102 1HD2 LEU 15 HD21 LEU 15 20.902 3.581 -7.480 103 2HD2 LEU 15 HD22 LEU 15 19.325 3.097 -6.856 104 3HD2 LEU 15 HD23 LEU 15 20.012 2.269 -8.253 105 H ASN 16 HN ASN 16 23.143 -1.853 -7.617 106 HA ASN 16 HA ASN 16 24.155 -2.516 -5.118 107 1HB ASN 16 HB2 ASN 16 23.211 -4.106 -6.849 108 2HB ASN 16 HB1 ASN 16 24.777 -4.045 -7.657 109 1HD2 ASN 16 HD21 ASN 16 23.051 -5.037 -4.801 110 2HD2 ASN 16 HD22 ASN 16 24.253 -6.147 -4.222 111 H ARG 17 HN ARG 17 25.970 -1.938 -8.132 112 HA ARG 17 HA ARG 17 28.468 -2.254 -6.764 113 1HB ARG 17 HB2 ARG 17 29.450 -1.207 -8.853 114 2HB ARG 17 HB1 ARG 17 28.647 -2.765 -9.028 115 1HG ARG 17 HG2 ARG 17 27.141 -1.944 -10.457 116 2HG ARG 17 HG1 ARG 17 26.846 -0.521 -9.455 117 1HD ARG 17 HD2 ARG 17 27.787 0.536 -11.215 118 2HD ARG 17 HD1 ARG 17 29.277 0.100 -10.380 119 HE ARG 17 HE ARG 17 28.496 -1.966 -12.145 120 1HH1 ARG 17 HH11 ARG 17 29.913 1.234 -12.111 121 2HH1 ARG 17 HH12 ARG 17 30.728 1.030 -13.636 122 1HH2 ARG 17 HH21 ARG 17 29.601 -2.271 -14.120 123 2HH2 ARG 17 HH22 ARG 17 30.585 -0.976 -14.761 124 H TYR 18 HN TYR 18 26.214 0.214 -6.712 125 HA TYR 18 HA TYR 18 28.204 2.314 -6.508 126 1HB TYR 18 HB2 TYR 18 26.404 3.489 -7.140 127 2HB TYR 18 HB1 TYR 18 25.313 2.177 -6.733 128 HD1 TYR 18 HD1 TYR 18 27.066 5.142 -5.318 129 HD2 TYR 18 HD2 TYR 18 23.950 2.294 -4.839 130 HE1 TYR 18 HE1 TYR 18 26.119 6.489 -3.488 131 HE2 TYR 18 HE2 TYR 18 23.004 3.616 -3.016 132 HH TYR 18 HH TYR 18 23.255 5.388 -1.697 133 H TYR 19 HN TYR 19 26.246 0.240 -4.405 134 HA TYR 19 HA TYR 19 27.682 1.298 -2.110 135 1HB TYR 19 HB2 TYR 19 26.454 -0.921 -1.105 136 2HB TYR 19 HB1 TYR 19 25.815 0.705 -1.046 137 HD1 TYR 19 HD1 TYR 19 24.241 1.347 -3.090 138 HD2 TYR 19 HD2 TYR 19 25.193 -2.633 -1.923 139 HE1 TYR 19 HE1 TYR 19 22.154 0.559 -4.092 140 HE2 TYR 19 HE2 TYR 19 23.120 -3.435 -2.968 141 HH TYR 19 HH TYR 19 21.445 -2.865 -4.416 142 H ALA 20 HN ALA 20 28.293 -0.938 -4.482 143 HA ALA 20 HA ALA 20 29.964 -2.647 -2.850 144 1HB ALA 20 HB1 ALA 20 30.496 -3.772 -4.949 145 2HB ALA 20 HB2 ALA 20 29.618 -2.527 -5.839 146 3HB ALA 20 HB3 ALA 20 28.752 -3.602 -4.743 147 H SER 21 HN SER 21 30.358 -0.243 -5.447 148 HA SER 21 HA SER 21 33.160 -0.012 -5.169 149 1HB SER 21 HB2 SER 21 32.897 2.084 -6.430 150 2HB SER 21 HB1 SER 21 31.883 0.818 -7.137 151 HG SER 21 HG SER 21 30.127 1.827 -6.492 152 H LEU 22 HN LEU 22 30.391 1.516 -3.618 153 HA LEU 22 HA LEU 22 31.740 3.217 -1.821 154 1HB LEU 22 HB2 LEU 22 29.110 2.227 -2.191 155 2HB LEU 22 HB1 LEU 22 29.555 1.880 -0.532 156 HG LEU 22 HG LEU 22 29.795 4.626 -1.740 157 1HD1 LEU 22 HD11 LEU 22 27.568 3.930 0.094 158 2HD1 LEU 22 HD12 LEU 22 27.433 3.406 -1.585 159 3HD1 LEU 22 HD13 LEU 22 27.638 5.116 -1.210 160 1HD2 LEU 22 HD21 LEU 22 30.077 5.377 0.462 161 2HD2 LEU 22 HD22 LEU 22 31.071 3.922 0.366 162 3HD2 LEU 22 HD23 LEU 22 29.490 3.864 1.151 163 H ARG 23 HN ARG 23 30.905 -0.233 -1.656 164 HA ARG 23 HA ARG 23 31.930 -0.583 0.970 165 1HB ARG 23 HB2 ARG 23 30.359 -2.178 0.201 166 2HB ARG 23 HB1 ARG 23 31.320 -2.548 -1.224 167 1HG ARG 23 HG2 ARG 23 32.028 -4.311 -0.030 168 2HG ARG 23 HG1 ARG 23 33.066 -3.137 0.792 169 1HD ARG 23 HD2 ARG 23 31.993 -4.314 2.517 170 2HD ARG 23 HD1 ARG 23 31.121 -2.785 2.397 171 HE ARG 23 HE ARG 23 29.245 -3.923 1.672 172 1HH1 ARG 23 HH11 ARG 23 31.980 -6.112 1.826 173 2HH1 ARG 23 HH12 ARG 23 31.021 -7.530 1.541 174 1HH2 ARG 23 HH21 ARG 23 27.977 -5.794 1.338 175 2HH2 ARG 23 HH22 ARG 23 28.745 -7.350 1.269 176 H HIS 24 HN HIS 24 33.429 -0.761 -2.221 177 HA HIS 24 HA HIS 24 35.891 -1.851 -1.295 178 1HB HIS 24 HB2 HIS 24 35.039 -1.540 -3.751 179 2HB HIS 24 HB1 HIS 24 35.750 0.065 -3.612 180 HD1 HIS 24 HD1 HIS 24 37.314 -0.950 -5.609 181 HD2 HIS 24 HD2 HIS 24 37.889 -2.484 -1.789 182 HE1 HIS 24 HE1 HIS 24 39.566 -2.049 -5.653 183 HE2 HIS 24 HE2 HIS 24 39.972 -2.810 -3.286 184 H TYR 25 HN TYR 25 34.656 1.413 -1.707 185 HA TYR 25 HA TYR 25 36.887 2.845 -0.816 186 1HB TYR 25 HB2 TYR 25 35.197 4.093 -1.856 187 2HB TYR 25 HB1 TYR 25 33.928 3.355 -0.897 188 HD1 TYR 25 HD1 TYR 25 37.055 5.139 0.157 189 HD2 TYR 25 HD2 TYR 25 32.801 5.057 0.143 190 HE1 TYR 25 HE1 TYR 25 37.016 7.118 1.617 191 HE2 TYR 25 HE2 TYR 25 32.746 7.019 1.602 192 HH TYR 25 HH TYR 25 34.367 8.109 3.328 193 H LEU 26 HN LEU 26 34.095 1.560 0.971 194 HA LEU 26 HA LEU 26 34.908 2.330 3.544 195 1HB LEU 26 HB2 LEU 26 33.224 -0.001 2.649 196 2HB LEU 26 HB1 LEU 26 33.411 0.489 4.323 197 HG LEU 26 HG LEU 26 32.281 2.290 2.185 198 1HD1 LEU 26 HD11 LEU 26 31.093 0.010 3.409 199 2HD1 LEU 26 HD12 LEU 26 30.376 1.161 2.280 200 3HD1 LEU 26 HD13 LEU 26 30.295 1.462 4.016 201 1HD2 LEU 26 HD21 LEU 26 31.402 2.804 4.855 202 2HD2 LEU 26 HD22 LEU 26 32.295 3.856 3.756 203 3HD2 LEU 26 HD23 LEU 26 33.165 2.750 4.819 204 H ASN 27 HN ASN 27 35.352 -0.728 1.810 205 HA ASN 27 HA ASN 27 36.810 -2.164 3.634 206 1HB ASN 27 HB2 ASN 27 36.203 -2.422 0.946 207 2HB ASN 27 HB1 ASN 27 37.960 -2.368 0.962 208 1HD2 ASN 27 HD21 ASN 27 36.403 -4.597 0.212 209 2HD2 ASN 27 HD22 ASN 27 36.716 -5.874 1.343 210 H LEU 28 HN LEU 28 37.947 0.452 1.527 211 HA LEU 28 HA LEU 28 40.660 0.195 2.358 212 1HB LEU 28 HB2 LEU 28 40.251 1.387 0.310 213 2HB LEU 28 HB1 LEU 28 39.255 2.559 1.182 214 HG LEU 28 HG LEU 28 41.530 2.637 2.645 215 1HD1 LEU 28 HD11 LEU 28 42.977 3.062 0.240 216 2HD1 LEU 28 HD12 LEU 28 42.243 1.463 0.123 217 3HD1 LEU 28 HD13 LEU 28 43.277 1.860 1.496 218 1HD2 LEU 28 HD21 LEU 28 40.009 4.428 1.396 219 2HD2 LEU 28 HD22 LEU 28 41.363 4.451 0.268 220 3HD2 LEU 28 HD23 LEU 28 41.627 4.835 1.969 221 H VAL 29 HN VAL 29 38.077 2.402 3.266 222 HA VAL 29 HA VAL 29 39.587 4.072 4.832 223 HB VAL 29 HB VAL 29 37.656 4.903 5.936 224 1HG1 VAL 29 HG11 VAL 29 36.203 4.236 3.511 225 2HG1 VAL 29 HG12 VAL 29 37.862 4.752 3.216 226 3HG1 VAL 29 HG13 VAL 29 36.763 5.797 4.114 227 1HG2 VAL 29 HG21 VAL 29 35.742 3.792 6.426 228 2HG2 VAL 29 HG22 VAL 29 36.822 2.402 6.312 229 3HG2 VAL 29 HG23 VAL 29 35.788 2.829 4.949 230 H THR 30 HN THR 30 38.425 0.892 5.581 231 HA THR 30 HA THR 30 38.853 0.880 8.368 232 HB THR 30 HB THR 30 38.789 -1.476 8.271 233 HG1 THR 30 HG1 THR 30 39.422 -1.371 5.483 234 1HG2 THR 30 HG21 THR 30 36.955 -1.967 6.749 235 2HG2 THR 30 HG22 THR 30 37.302 -0.492 5.840 236 3HG2 THR 30 HG23 THR 30 36.721 -0.391 7.504 237 H ARG 31 HN ARG 31 41.076 1.163 5.829 238 HA ARG 31 HA ARG 31 43.321 -0.165 6.837 239 1HB ARG 31 HB2 ARG 31 43.404 0.392 4.575 240 2HB ARG 31 HB1 ARG 31 42.922 2.052 4.877 241 1HG ARG 31 HG2 ARG 31 45.313 1.840 6.224 242 2HG ARG 31 HG1 ARG 31 45.569 0.877 4.766 243 1HD ARG 31 HD2 ARG 31 44.169 3.289 4.111 244 2HD ARG 31 HD1 ARG 31 45.624 3.677 5.030 245 HE ARG 31 HE ARG 31 46.102 1.796 2.920 246 1HH1 ARG 31 HH11 ARG 31 45.764 5.203 3.668 247 2HH1 ARG 31 HH12 ARG 31 46.702 5.728 2.302 248 1HH2 ARG 31 HH21 ARG 31 47.315 2.467 1.134 249 2HH2 ARG 31 HH22 ARG 31 47.571 4.163 0.836 250 H GLN 32 HN GLN 32 42.383 3.259 7.030 251 HA GLN 32 HA GLN 32 44.408 3.591 9.144 252 1HB GLN 32 HB2 GLN 32 44.893 5.739 8.381 253 2HB GLN 32 HB1 GLN 32 44.668 4.837 6.893 254 1HG GLN 32 HG2 GLN 32 42.588 6.594 8.181 255 2HG GLN 32 HG1 GLN 32 43.629 7.069 6.843 256 1HE2 GLN 32 HE21 GLN 32 40.626 6.589 7.257 257 2HE2 GLN 32 HE22 GLN 32 40.184 5.630 5.887 258 H ARG 33 HN ARG 33 41.082 3.860 8.353 259 HA ARG 33 HA ARG 33 39.234 4.642 9.390 260 1HB ARG 33 HB2 ARG 33 41.034 3.922 11.628 261 2HB ARG 33 HB1 ARG 33 39.693 4.985 12.033 262 1HG ARG 33 HG2 ARG 33 38.740 2.940 12.397 263 2HG ARG 33 HG1 ARG 33 38.289 3.212 10.711 264 1HD ARG 33 HD2 ARG 33 39.170 1.168 10.385 265 2HD ARG 33 HD1 ARG 33 40.707 2.026 10.412 266 HE ARG 33 HE ARG 33 39.639 0.272 12.460 267 1HH1 ARG 33 HH11 ARG 33 42.053 2.654 11.607 268 2HH1 ARG 33 HH12 ARG 33 43.133 2.219 12.895 269 1HH2 ARG 33 HH21 ARG 33 41.028 -0.318 14.140 270 2HH2 ARG 33 HH22 ARG 33 42.542 0.523 14.359 271 H TYR 34 HN TYR 34 40.989 6.275 11.902 272 HA TYR 34 HA TYR 34 40.734 8.818 10.457 273 1HB TYR 34 HB2 TYR 34 38.879 8.240 12.251 274 2HB TYR 34 HB1 TYR 34 40.129 8.734 13.388 275 HD1 TYR 34 HD1 TYR 34 40.267 10.950 13.982 276 HD2 TYR 34 HD2 TYR 34 38.451 9.932 10.273 277 HE1 TYR 34 HE1 TYR 34 39.677 13.311 13.633 278 HE2 TYR 34 HE2 TYR 34 37.863 12.289 9.905 279 HH TYR 34 HH TYR 34 37.870 14.342 10.732 280 1HN NH2 35 H1 NH2 35 43.624 10.051 12.099 281 2HN NH2 35 H2 NH2 35 42.174 10.498 11.274 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 24.395 7.324 9.062 2 2H ILE 1 HT2 ILE 1 23.213 7.946 8.017 3 3H ILE 1 HT3 ILE 1 24.260 8.998 8.828 4 HA ILE 1 HA ILE 1 25.455 8.995 6.989 5 HB ILE 1 HB ILE 1 26.753 7.518 8.565 6 1HG1 ILE 1 HG12 ILE 1 27.363 6.643 5.770 7 2HG1 ILE 1 HG11 ILE 1 27.431 8.357 6.164 8 1HG2 ILE 1 HG21 ILE 1 26.973 5.119 7.879 9 2HG2 ILE 1 HG22 ILE 1 25.543 5.339 6.876 10 3HG2 ILE 1 HG23 ILE 1 25.429 5.541 8.623 11 1HD1 ILE 1 HD11 ILE 1 28.833 6.904 8.166 12 2HD1 ILE 1 HD12 ILE 1 29.447 8.097 7.019 13 3HD1 ILE 1 HD13 ILE 1 29.400 6.391 6.577 14 H LYS 2 HN LYS 2 25.486 8.617 4.805 15 HA LYS 2 HA LYS 2 24.170 6.346 3.635 16 1HB LYS 2 HB2 LYS 2 22.344 8.059 4.353 17 2HB LYS 2 HB1 LYS 2 22.921 9.001 2.985 18 1HG LYS 2 HG2 LYS 2 21.041 7.728 2.273 19 2HG LYS 2 HG1 LYS 2 22.484 7.033 1.526 20 1HD LYS 2 HD2 LYS 2 22.153 5.067 2.529 21 2HD LYS 2 HD1 LYS 2 21.913 5.830 4.102 22 1HE LYS 2 HE2 LYS 2 19.762 5.298 3.956 23 2HE LYS 2 HE1 LYS 2 19.625 6.428 2.607 24 1HZ LYS 2 HZ1 LYS 2 20.721 3.872 1.864 25 2HZ LYS 2 HZ2 LYS 2 19.474 4.773 1.146 26 3HZ LYS 2 HZ3 LYS 2 19.138 3.777 2.470 27 HA PRO 3 HA PRO 3 27.421 7.862 0.883 28 1HB PRO 3 HB2 PRO 3 27.040 5.270 -0.435 29 2HB PRO 3 HB1 PRO 3 28.484 5.927 0.339 30 1HG PRO 3 HG2 PRO 3 27.064 3.888 1.402 31 2HG PRO 3 HG1 PRO 3 27.928 5.074 2.400 32 1HD PRO 3 HD2 PRO 3 25.012 4.890 1.761 33 2HD PRO 3 HD1 PRO 3 25.807 5.322 3.289 34 H GLU 4 HN GLU 4 25.177 5.614 -0.710 35 HA GLU 4 HA GLU 4 24.646 7.679 -2.719 36 1HB GLU 4 HB2 GLU 4 24.059 4.715 -2.863 37 2HB GLU 4 HB1 GLU 4 23.882 5.877 -4.169 38 1HG GLU 4 HG2 GLU 4 26.361 4.710 -2.993 39 2HG GLU 4 HG1 GLU 4 25.866 4.826 -4.680 40 H ALA 5 HN ALA 5 22.613 8.379 -3.142 41 HA ALA 5 HA ALA 5 20.698 8.204 -1.075 42 1HB ALA 5 HB1 ALA 5 20.538 9.352 -3.848 43 2HB ALA 5 HB2 ALA 5 20.797 10.207 -2.328 44 3HB ALA 5 HB3 ALA 5 19.230 9.469 -2.668 45 HA PRO 6 HA PRO 6 18.089 5.390 -3.931 46 1HB PRO 6 HB2 PRO 6 19.665 4.471 -6.174 47 2HB PRO 6 HB1 PRO 6 18.172 5.410 -6.191 48 1HG PRO 6 HG2 PRO 6 20.596 6.402 -6.968 49 2HG PRO 6 HG1 PRO 6 19.277 7.402 -6.332 50 1HD PRO 6 HD2 PRO 6 21.721 6.376 -4.938 51 2HD PRO 6 HD1 PRO 6 20.939 7.967 -4.821 52 H GLY 7 HN GLY 7 18.685 4.149 -2.032 53 1HA GLY 7 HA2 GLY 7 20.283 1.775 -2.731 54 2HA GLY 7 HA1 GLY 7 20.576 2.629 -1.228 55 H GLU 8 HN GLU 8 17.352 2.881 -1.626 56 HA GLU 8 HA GLU 8 16.877 0.461 -0.041 57 1HB GLU 8 HB2 GLU 8 14.502 1.970 -0.125 58 2HB GLU 8 HB1 GLU 8 15.597 1.783 1.236 59 1HG GLU 8 HG2 GLU 8 15.923 3.893 -0.880 60 2HG GLU 8 HG1 GLU 8 15.014 4.133 0.611 61 H ASP 9 HN ASP 9 16.416 1.871 -3.045 62 HA ASP 9 HA ASP 9 15.218 -0.488 -4.129 63 1HB ASP 9 HB2 ASP 9 13.127 0.411 -3.493 64 2HB ASP 9 HB1 ASP 9 13.618 2.057 -3.870 65 H ALA 10 HN ALA 10 17.120 -0.486 -5.311 66 HA ALA 10 HA ALA 10 17.414 1.719 -7.227 67 1HB ALA 10 HB1 ALA 10 19.593 -0.148 -6.286 68 2HB ALA 10 HB2 ALA 10 19.281 1.446 -5.586 69 3HB ALA 10 HB3 ALA 10 19.776 1.298 -7.277 70 H SER 11 HN SER 11 16.373 1.103 -8.967 71 HA SER 11 HA SER 11 15.419 -1.404 -9.497 72 1HB SER 11 HB2 SER 11 15.915 0.669 -11.608 73 2HB SER 11 HB1 SER 11 14.635 -0.543 -11.566 74 HG SER 11 HG SER 11 14.234 0.659 -9.381 75 HA PRO 12 HA PRO 12 18.491 -2.337 -12.975 76 1HB PRO 12 HB2 PRO 12 20.729 -0.490 -12.851 77 2HB PRO 12 HB1 PRO 12 19.610 -0.791 -14.183 78 1HG PRO 12 HG2 PRO 12 19.635 1.538 -12.807 79 2HG PRO 12 HG1 PRO 12 18.155 0.859 -13.504 80 1HD PRO 12 HD2 PRO 12 19.153 0.723 -10.678 81 2HD PRO 12 HD1 PRO 12 17.515 1.084 -11.274 82 H GLU 13 HN GLU 13 18.742 -2.783 -10.074 83 HA GLU 13 HA GLU 13 19.930 -4.056 -8.634 84 1HB GLU 13 HB2 GLU 13 21.159 -4.711 -11.251 85 2HB GLU 13 HB1 GLU 13 22.126 -5.090 -9.832 86 1HG GLU 13 HG2 GLU 13 19.695 -6.086 -9.125 87 2HG GLU 13 HG1 GLU 13 19.715 -6.368 -10.868 88 H GLU 14 HN GLU 14 20.509 -1.213 -9.342 89 HA GLU 14 HA GLU 14 23.257 -0.764 -8.809 90 1HB GLU 14 HB2 GLU 14 20.812 0.878 -8.966 91 2HB GLU 14 HB1 GLU 14 22.073 1.514 -7.920 92 1HG GLU 14 HG2 GLU 14 22.357 0.801 -10.827 93 2HG GLU 14 HG1 GLU 14 22.274 2.425 -10.148 94 H LEU 15 HN LEU 15 20.662 -1.796 -6.957 95 HA LEU 15 HA LEU 15 21.347 -0.877 -4.385 96 1HB LEU 15 HB2 LEU 15 19.171 -1.804 -4.849 97 2HB LEU 15 HB1 LEU 15 19.874 -3.330 -5.346 98 HG LEU 15 HG LEU 15 20.757 -3.005 -2.729 99 1HD1 LEU 15 HD11 LEU 15 18.348 -2.794 -1.695 100 2HD1 LEU 15 HD12 LEU 15 18.061 -1.818 -3.136 101 3HD1 LEU 15 HD13 LEU 15 19.334 -1.365 -2.005 102 1HD2 LEU 15 HD21 LEU 15 20.212 -5.144 -3.266 103 2HD2 LEU 15 HD22 LEU 15 18.786 -4.664 -4.190 104 3HD2 LEU 15 HD23 LEU 15 18.724 -4.701 -2.427 105 H ASN 16 HN ASN 16 22.209 -3.794 -6.203 106 HA ASN 16 HA ASN 16 23.790 -5.019 -4.237 107 1HB ASN 16 HB2 ASN 16 23.167 -5.459 -6.981 108 2HB ASN 16 HB1 ASN 16 24.922 -5.504 -6.820 109 1HD2 ASN 16 HD21 ASN 16 21.916 -6.934 -5.835 110 2HD2 ASN 16 HD22 ASN 16 22.592 -8.399 -5.201 111 H ARG 17 HN ARG 17 24.606 -2.736 -6.815 112 HA ARG 17 HA ARG 17 27.351 -2.573 -5.958 113 1HB ARG 17 HB2 ARG 17 26.308 -0.404 -7.648 114 2HB ARG 17 HB1 ARG 17 27.767 -1.360 -7.805 115 1HG ARG 17 HG2 ARG 17 25.487 -3.017 -8.321 116 2HG ARG 17 HG1 ARG 17 25.405 -1.560 -9.313 117 1HD ARG 17 HD2 ARG 17 27.748 -3.451 -9.124 118 2HD ARG 17 HD1 ARG 17 26.593 -3.374 -10.451 119 HE ARG 17 HE ARG 17 27.737 -0.826 -10.093 120 1HH1 ARG 17 HH11 ARG 17 28.592 -4.041 -11.227 121 2HH1 ARG 17 HH12 ARG 17 29.866 -3.469 -12.266 122 1HH2 ARG 17 HH21 ARG 17 29.392 -0.079 -11.485 123 2HH2 ARG 17 HH22 ARG 17 30.324 -1.224 -12.414 124 H TYR 18 HN TYR 18 24.577 -1.463 -4.650 125 HA TYR 18 HA TYR 18 25.559 1.123 -3.795 126 1HB TYR 18 HB2 TYR 18 23.212 1.070 -3.978 127 2HB TYR 18 HB1 TYR 18 23.101 -0.521 -3.243 128 HD1 TYR 18 HD1 TYR 18 23.436 3.075 -2.597 129 HD2 TYR 18 HD2 TYR 18 23.018 -0.779 -0.853 130 HE1 TYR 18 HE1 TYR 18 22.813 4.114 -0.467 131 HE2 TYR 18 HE2 TYR 18 22.414 0.245 1.292 132 HH TYR 18 HH TYR 18 22.492 2.253 2.475 133 H TYR 19 HN TYR 19 25.083 -2.133 -2.547 134 HA TYR 19 HA TYR 19 26.488 -1.612 -0.098 135 1HB TYR 19 HB2 TYR 19 26.030 -4.299 -1.388 136 2HB TYR 19 HB1 TYR 19 26.351 -3.970 0.307 137 HD1 TYR 19 HD1 TYR 19 24.537 -2.399 1.475 138 HD2 TYR 19 HD2 TYR 19 23.873 -4.689 -2.054 139 HE1 TYR 19 HE1 TYR 19 22.121 -2.383 1.927 140 HE2 TYR 19 HE2 TYR 19 21.455 -4.679 -1.605 141 HH TYR 19 HH TYR 19 19.963 -2.625 0.455 142 H ALA 20 HN ALA 20 27.380 -2.346 -3.315 143 HA ALA 20 HA ALA 20 29.972 -3.411 -2.659 144 1HB ALA 20 HB1 ALA 20 28.360 -3.917 -4.687 145 2HB ALA 20 HB2 ALA 20 30.115 -4.033 -4.840 146 3HB ALA 20 HB3 ALA 20 29.265 -2.595 -5.413 147 H SER 21 HN SER 21 28.591 -0.439 -4.040 148 HA SER 21 HA SER 21 31.107 0.879 -4.213 149 1HB SER 21 HB2 SER 21 29.855 2.872 -4.670 150 2HB SER 21 HB1 SER 21 28.993 1.544 -5.456 151 HG SER 21 HG SER 21 27.334 2.065 -4.307 152 H LEU 22 HN LEU 22 28.650 0.415 -1.766 153 HA LEU 22 HA LEU 22 29.774 2.085 0.244 154 1HB LEU 22 HB2 LEU 22 27.625 0.281 0.058 155 2HB LEU 22 HB1 LEU 22 28.669 -0.378 1.303 156 HG LEU 22 HG LEU 22 27.710 2.478 1.338 157 1HD1 LEU 22 HD11 LEU 22 26.496 0.215 2.894 158 2HD1 LEU 22 HD12 LEU 22 25.847 0.761 1.348 159 3HD1 LEU 22 HD13 LEU 22 25.908 1.869 2.718 160 1HD2 LEU 22 HD21 LEU 22 29.359 2.489 2.883 161 2HD2 LEU 22 HD22 LEU 22 29.319 0.739 3.096 162 3HD2 LEU 22 HD23 LEU 22 28.119 1.753 3.898 163 H ARG 23 HN ARG 23 30.317 -1.297 -0.729 164 HA ARG 23 HA ARG 23 32.306 -1.799 1.250 165 1HB ARG 23 HB2 ARG 23 31.670 -3.793 0.372 166 2HB ARG 23 HB1 ARG 23 31.398 -3.127 -1.236 167 1HG ARG 23 HG2 ARG 23 33.483 -3.621 -1.930 168 2HG ARG 23 HG1 ARG 23 34.214 -3.188 -0.380 169 1HD ARG 23 HD2 ARG 23 32.700 -5.745 -0.933 170 2HD ARG 23 HD1 ARG 23 34.452 -5.590 -0.969 171 HE ARG 23 HE ARG 23 32.787 -5.836 1.344 172 1HH1 ARG 23 HH11 ARG 23 35.836 -4.523 0.202 173 2HH1 ARG 23 HH12 ARG 23 36.592 -4.587 1.764 174 1HH2 ARG 23 HH21 ARG 23 33.769 -5.915 3.376 175 2HH2 ARG 23 HH22 ARG 23 35.412 -5.367 3.579 176 H HIS 24 HN HIS 24 32.456 -0.553 -2.035 177 HA HIS 24 HA HIS 24 35.248 -0.352 -2.288 178 1HB HIS 24 HB2 HIS 24 33.205 0.095 -3.958 179 2HB HIS 24 HB1 HIS 24 33.503 1.759 -3.470 180 HD1 HIS 24 HD1 HIS 24 35.375 -1.175 -4.984 181 HD2 HIS 24 HD2 HIS 24 35.499 2.978 -4.839 182 HE1 HIS 24 HE1 HIS 24 37.180 -0.494 -6.599 183 HE2 HIS 24 HE2 HIS 24 37.090 2.031 -6.643 184 H TYR 25 HN TYR 25 32.818 1.746 -0.907 185 HA TYR 25 HA TYR 25 34.487 3.922 -0.265 186 1HB TYR 25 HB2 TYR 25 32.193 4.366 -0.289 187 2HB TYR 25 HB1 TYR 25 31.804 2.920 0.626 188 HD1 TYR 25 HD1 TYR 25 33.938 5.948 1.222 189 HD2 TYR 25 HD2 TYR 25 30.851 3.380 2.634 190 HE1 TYR 25 HE1 TYR 25 33.749 7.308 3.259 191 HE2 TYR 25 HE2 TYR 25 30.645 4.727 4.669 192 HH TYR 25 HH TYR 25 31.532 7.637 5.056 193 H LEU 26 HN LEU 26 33.510 1.015 1.527 194 HA LEU 26 HA LEU 26 34.930 1.542 3.896 195 1HB LEU 26 HB2 LEU 26 34.203 -1.070 2.575 196 2HB LEU 26 HB1 LEU 26 34.905 -0.956 4.179 197 HG LEU 26 HG LEU 26 32.319 0.403 3.457 198 1HD1 LEU 26 HD11 LEU 26 31.859 -1.868 5.067 199 2HD1 LEU 26 HD12 LEU 26 32.805 -2.392 3.673 200 3HD1 LEU 26 HD13 LEU 26 31.274 -1.548 3.433 201 1HD2 LEU 26 HD21 LEU 26 32.387 1.169 5.541 202 2HD2 LEU 26 HD22 LEU 26 34.008 0.490 5.704 203 3HD2 LEU 26 HD23 LEU 26 32.600 -0.466 6.169 204 H ASN 27 HN ASN 27 35.824 -0.424 1.085 205 HA ASN 27 HA ASN 27 38.421 -1.081 1.632 206 1HB ASN 27 HB2 ASN 27 36.792 -1.151 -0.615 207 2HB ASN 27 HB1 ASN 27 38.133 -0.125 -1.115 208 1HD2 ASN 27 HD21 ASN 27 39.493 -1.287 -2.255 209 2HD2 ASN 27 HD22 ASN 27 40.042 -2.879 -1.859 210 H LEU 28 HN LEU 28 37.198 2.019 0.468 211 HA LEU 28 HA LEU 28 39.767 3.190 0.142 212 1HB LEU 28 HB2 LEU 28 37.928 4.205 -1.032 213 2HB LEU 28 HB1 LEU 28 37.082 4.467 0.495 214 HG LEU 28 HG LEU 28 39.434 5.712 1.000 215 1HD1 LEU 28 HD11 LEU 28 39.886 5.300 -1.543 216 2HD1 LEU 28 HD12 LEU 28 40.265 6.864 -0.828 217 3HD1 LEU 28 HD13 LEU 28 38.791 6.663 -1.772 218 1HD2 LEU 28 HD21 LEU 28 36.765 6.369 0.854 219 2HD2 LEU 28 HD22 LEU 28 37.493 7.481 -0.306 220 3HD2 LEU 28 HD23 LEU 28 38.061 7.450 1.365 221 H VAL 29 HN VAL 29 37.270 3.534 2.601 222 HA VAL 29 HA VAL 29 38.527 5.525 4.034 223 HB VAL 29 HB VAL 29 37.172 4.909 6.019 224 1HG1 VAL 29 HG11 VAL 29 35.238 4.829 3.804 225 2HG1 VAL 29 HG12 VAL 29 36.427 6.132 3.758 226 3HG1 VAL 29 HG13 VAL 29 35.377 5.946 5.161 227 1HG2 VAL 29 HG21 VAL 29 36.774 2.460 4.455 228 2HG2 VAL 29 HG22 VAL 29 35.312 3.133 5.173 229 3HG2 VAL 29 HG23 VAL 29 36.688 2.728 6.197 230 H THR 30 HN THR 30 39.261 2.158 3.990 231 HA THR 30 HA THR 30 40.768 1.890 6.321 232 HB THR 30 HB THR 30 41.876 0.074 5.300 233 HG1 THR 30 HG1 THR 30 41.135 0.792 2.675 234 1HG2 THR 30 HG21 THR 30 39.261 0.349 3.822 235 2HG2 THR 30 HG22 THR 30 39.442 -0.233 5.478 236 3HG2 THR 30 HG23 THR 30 40.130 -1.153 4.142 237 H ARG 31 HN ARG 31 41.277 3.911 3.630 238 HA ARG 31 HA ARG 31 43.938 4.081 3.175 239 1HB ARG 31 HB2 ARG 31 41.967 5.409 2.177 240 2HB ARG 31 HB1 ARG 31 42.339 6.590 3.426 241 1HG ARG 31 HG2 ARG 31 44.271 7.237 2.441 242 2HG ARG 31 HG1 ARG 31 44.597 5.637 1.771 243 1HD ARG 31 HD2 ARG 31 42.206 6.806 0.633 244 2HD ARG 31 HD1 ARG 31 43.606 7.854 0.412 245 HE ARG 31 HE ARG 31 44.234 5.165 -0.259 246 1HH1 ARG 31 HH11 ARG 31 42.611 8.035 -1.462 247 2HH1 ARG 31 HH12 ARG 31 42.752 7.565 -3.134 248 1HH2 ARG 31 HH21 ARG 31 44.422 4.553 -2.443 249 2HH2 ARG 31 HH22 ARG 31 43.817 5.600 -3.691 250 H GLN 32 HN GLN 32 42.226 6.080 5.592 251 HA GLN 32 HA GLN 32 44.670 7.282 6.465 252 1HB GLN 32 HB2 GLN 32 43.334 8.822 7.411 253 2HB GLN 32 HB1 GLN 32 42.035 8.015 6.546 254 1HG GLN 32 HG2 GLN 32 42.774 7.025 9.248 255 2HG GLN 32 HG1 GLN 32 41.865 8.529 9.109 256 1HE2 GLN 32 HE21 GLN 32 41.870 5.155 7.999 257 2HE2 GLN 32 HE22 GLN 32 40.136 5.005 7.955 258 H ARG 33 HN ARG 33 43.023 4.406 7.283 259 HA ARG 33 HA ARG 33 44.622 4.201 9.761 260 1HB ARG 33 HB2 ARG 33 42.934 2.702 10.682 261 2HB ARG 33 HB1 ARG 33 42.196 4.234 10.252 262 1HG ARG 33 HG2 ARG 33 40.981 3.322 8.528 263 2HG ARG 33 HG1 ARG 33 42.108 1.983 8.298 264 1HD ARG 33 HD2 ARG 33 39.855 2.276 10.195 265 2HD ARG 33 HD1 ARG 33 40.431 0.851 9.332 266 HE ARG 33 HE ARG 33 41.467 1.905 11.867 267 1HH1 ARG 33 HH11 ARG 33 41.424 -0.605 9.428 268 2HH1 ARG 33 HH12 ARG 33 42.422 -1.700 10.336 269 1HH2 ARG 33 HH21 ARG 33 42.771 0.459 13.085 270 2HH2 ARG 33 HH22 ARG 33 43.182 -1.096 12.425 271 H TYR 34 HN TYR 34 45.824 3.764 7.492 272 HA TYR 34 HA TYR 34 45.241 1.402 6.149 273 1HB TYR 34 HB2 TYR 34 46.747 3.557 5.583 274 2HB TYR 34 HB1 TYR 34 48.023 2.424 6.015 275 HD1 TYR 34 HD1 TYR 34 49.053 1.795 4.047 276 HD2 TYR 34 HD2 TYR 34 44.806 1.899 4.197 277 HE1 TYR 34 HE1 TYR 34 48.959 0.837 1.785 278 HE2 TYR 34 HE2 TYR 34 44.695 0.934 1.937 279 HH TYR 34 HH TYR 34 47.600 -0.176 0.261 280 1HN NH2 35 H1 NH2 35 48.025 0.433 8.992 281 2HN NH2 35 H2 NH2 35 47.545 2.077 8.753 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 29.628 9.731 5.908 2 2H ILE 1 HT2 ILE 1 28.118 9.305 5.274 3 3H ILE 1 HT3 ILE 1 29.219 10.184 4.326 4 HA ILE 1 HA ILE 1 30.703 8.362 4.190 5 HB ILE 1 HB ILE 1 28.749 6.862 5.944 6 1HG1 ILE 1 HG12 ILE 1 31.607 7.494 6.640 7 2HG1 ILE 1 HG11 ILE 1 30.321 8.641 6.999 8 1HG2 ILE 1 HG21 ILE 1 29.728 5.367 4.368 9 2HG2 ILE 1 HG22 ILE 1 30.548 5.120 5.908 10 3HG2 ILE 1 HG23 ILE 1 31.332 6.047 4.631 11 1HD1 ILE 1 HD11 ILE 1 30.164 5.798 7.919 12 2HD1 ILE 1 HD12 ILE 1 29.323 7.216 8.544 13 3HD1 ILE 1 HD13 ILE 1 31.051 7.018 8.834 14 H LYS 2 HN LYS 2 27.195 7.697 4.446 15 HA LYS 2 HA LYS 2 27.329 6.338 1.844 16 1HB LYS 2 HB2 LYS 2 26.222 5.418 4.079 17 2HB LYS 2 HB1 LYS 2 24.854 6.359 3.506 18 1HG LYS 2 HG2 LYS 2 25.355 5.062 1.259 19 2HG LYS 2 HG1 LYS 2 26.071 3.900 2.377 20 1HD LYS 2 HD2 LYS 2 24.021 3.097 2.741 21 2HD LYS 2 HD1 LYS 2 23.617 4.628 3.521 22 1HE LYS 2 HE2 LYS 2 22.885 5.540 1.396 23 2HE LYS 2 HE1 LYS 2 23.352 4.054 0.571 24 1HZ LYS 2 HZ1 LYS 2 20.897 4.626 1.666 25 2HZ LYS 2 HZ2 LYS 2 21.594 3.522 2.749 26 3HZ LYS 2 HZ3 LYS 2 21.429 3.113 1.112 27 HA PRO 3 HA PRO 3 25.472 10.149 0.275 28 1HB PRO 3 HB2 PRO 3 25.753 9.485 -2.346 29 2HB PRO 3 HB1 PRO 3 27.064 10.163 -1.376 30 1HG PRO 3 HG2 PRO 3 26.541 7.319 -2.134 31 2HG PRO 3 HG1 PRO 3 28.078 8.200 -2.079 32 1HD PRO 3 HD2 PRO 3 27.283 6.493 -0.121 33 2HD PRO 3 HD1 PRO 3 28.311 7.906 0.192 34 H GLU 4 HN GLU 4 23.434 10.601 -0.413 35 HA GLU 4 HA GLU 4 21.497 8.517 -0.353 36 1HB GLU 4 HB2 GLU 4 21.020 11.316 -1.366 37 2HB GLU 4 HB1 GLU 4 19.865 10.223 -0.617 38 1HG GLU 4 HG2 GLU 4 20.253 11.531 1.169 39 2HG GLU 4 HG1 GLU 4 21.608 10.424 1.391 40 H ALA 5 HN ALA 5 22.128 7.118 -1.981 41 HA ALA 5 HA ALA 5 21.869 8.032 -4.736 42 1HB ALA 5 HB1 ALA 5 23.331 5.920 -3.390 43 2HB ALA 5 HB2 ALA 5 23.643 6.710 -4.936 44 3HB ALA 5 HB3 ALA 5 22.508 5.362 -4.848 45 HA PRO 6 HA PRO 6 18.481 4.576 -4.526 46 1HB PRO 6 HB2 PRO 6 17.466 4.011 -2.060 47 2HB PRO 6 HB1 PRO 6 18.757 3.076 -2.820 48 1HG PRO 6 HG2 PRO 6 18.932 5.208 -0.736 49 2HG PRO 6 HG1 PRO 6 19.829 3.684 -0.860 50 1HD PRO 6 HD2 PRO 6 20.877 6.081 -1.566 51 2HD PRO 6 HD1 PRO 6 21.342 4.560 -2.353 52 H GLY 7 HN GLY 7 17.464 6.411 -5.423 53 1HA GLY 7 HA2 GLY 7 16.014 8.205 -3.646 54 2HA GLY 7 HA1 GLY 7 16.161 8.355 -5.392 55 H GLU 8 HN GLU 8 15.091 6.409 -6.586 56 HA GLU 8 HA GLU 8 12.582 5.637 -5.323 57 1HB GLU 8 HB2 GLU 8 12.785 7.403 -7.765 58 2HB GLU 8 HB1 GLU 8 11.347 6.455 -7.405 59 1HG GLU 8 HG2 GLU 8 11.204 7.617 -5.219 60 2HG GLU 8 HG1 GLU 8 12.544 8.644 -5.729 61 H ASP 9 HN ASP 9 13.650 3.588 -5.502 62 HA ASP 9 HA ASP 9 13.835 1.517 -6.392 63 1HB ASP 9 HB2 ASP 9 11.677 2.042 -7.577 64 2HB ASP 9 HB1 ASP 9 12.633 2.581 -8.956 65 H ALA 10 HN ALA 10 15.948 1.301 -6.435 66 HA ALA 10 HA ALA 10 17.615 2.584 -8.400 67 1HB ALA 10 HB1 ALA 10 18.057 0.868 -6.028 68 2HB ALA 10 HB2 ALA 10 18.829 2.385 -6.488 69 3HB ALA 10 HB3 ALA 10 19.311 0.878 -7.267 70 H SER 11 HN SER 11 15.795 1.182 -9.810 71 HA SER 11 HA SER 11 15.495 -0.352 -11.456 72 1HB SER 11 HB2 SER 11 18.471 -0.720 -11.594 73 2HB SER 11 HB1 SER 11 17.307 -0.570 -12.909 74 HG SER 11 HG SER 11 17.992 1.425 -12.942 75 HA PRO 12 HA PRO 12 16.174 -4.639 -10.004 76 1HB PRO 12 HB2 PRO 12 17.791 -5.917 -11.821 77 2HB PRO 12 HB1 PRO 12 16.053 -5.688 -12.036 78 1HG PRO 12 HG2 PRO 12 18.328 -4.106 -13.156 79 2HG PRO 12 HG1 PRO 12 16.833 -4.634 -13.950 80 1HD PRO 12 HD2 PRO 12 17.144 -2.122 -13.073 81 2HD PRO 12 HD1 PRO 12 15.574 -2.949 -12.977 82 H GLU 13 HN GLU 13 17.672 -3.023 -8.589 83 HA GLU 13 HA GLU 13 19.374 -3.017 -7.097 84 1HB GLU 13 HB2 GLU 13 19.407 -5.779 -8.093 85 2HB GLU 13 HB1 GLU 13 20.970 -5.230 -7.507 86 1HG GLU 13 HG2 GLU 13 18.432 -5.669 -6.034 87 2HG GLU 13 HG1 GLU 13 20.083 -6.107 -5.602 88 H GLU 14 HN GLU 14 19.633 -1.621 -9.426 89 HA GLU 14 HA GLU 14 22.203 -2.075 -10.626 90 1HB GLU 14 HB2 GLU 14 19.963 -0.181 -10.974 91 2HB GLU 14 HB1 GLU 14 21.554 0.455 -11.369 92 1HG GLU 14 HG2 GLU 14 21.352 -2.111 -12.532 93 2HG GLU 14 HG1 GLU 14 19.871 -1.232 -12.910 94 H LEU 15 HN LEU 15 21.463 -1.165 -7.673 95 HA LEU 15 HA LEU 15 23.520 0.920 -7.452 96 1HB LEU 15 HB2 LEU 15 20.921 0.799 -6.449 97 2HB LEU 15 HB1 LEU 15 21.942 0.445 -5.069 98 HG LEU 15 HG LEU 15 23.222 2.569 -5.645 99 1HD1 LEU 15 HD11 LEU 15 21.313 4.109 -6.820 100 2HD1 LEU 15 HD12 LEU 15 21.138 2.594 -7.707 101 3HD1 LEU 15 HD13 LEU 15 22.699 3.413 -7.660 102 1HD2 LEU 15 HD21 LEU 15 21.463 2.202 -3.842 103 2HD2 LEU 15 HD22 LEU 15 20.348 3.034 -4.928 104 3HD2 LEU 15 HD23 LEU 15 21.783 3.869 -4.330 105 H ASN 16 HN ASN 16 23.117 -2.317 -7.145 106 HA ASN 16 HA ASN 16 24.071 -2.947 -4.595 107 1HB ASN 16 HB2 ASN 16 23.155 -4.401 -6.693 108 2HB ASN 16 HB1 ASN 16 24.874 -4.772 -6.770 109 1HD2 ASN 16 HD21 ASN 16 22.133 -4.648 -4.529 110 2HD2 ASN 16 HD22 ASN 16 22.666 -5.986 -3.554 111 H ARG 17 HN ARG 17 25.848 -2.428 -7.637 112 HA ARG 17 HA ARG 17 28.348 -2.979 -6.311 113 1HB ARG 17 HB2 ARG 17 27.958 -1.768 -9.036 114 2HB ARG 17 HB1 ARG 17 29.450 -2.420 -8.367 115 1HG ARG 17 HG2 ARG 17 26.962 -4.059 -8.833 116 2HG ARG 17 HG1 ARG 17 28.280 -3.915 -9.998 117 1HD ARG 17 HD2 ARG 17 29.174 -5.686 -8.966 118 2HD ARG 17 HD1 ARG 17 29.584 -4.570 -7.666 119 HE ARG 17 HE ARG 17 27.903 -5.476 -6.368 120 1HH1 ARG 17 HH11 ARG 17 27.717 -6.774 -9.627 121 2HH1 ARG 17 HH12 ARG 17 26.531 -7.979 -9.206 122 1HH2 ARG 17 HH21 ARG 17 26.371 -7.070 -5.819 123 2HH2 ARG 17 HH22 ARG 17 25.796 -8.171 -7.036 124 H TYR 18 HN TYR 18 26.313 -0.263 -6.589 125 HA TYR 18 HA TYR 18 28.404 1.665 -6.238 126 1HB TYR 18 HB2 TYR 18 26.620 2.982 -6.684 127 2HB TYR 18 HB1 TYR 18 25.485 1.702 -6.273 128 HD1 TYR 18 HD1 TYR 18 24.301 1.746 -4.256 129 HD2 TYR 18 HD2 TYR 18 27.556 4.426 -4.800 130 HE1 TYR 18 HE1 TYR 18 23.672 2.902 -2.195 131 HE2 TYR 18 HE2 TYR 18 26.937 5.605 -2.729 132 HH TYR 18 HH TYR 18 24.723 5.905 -1.357 133 H TYR 19 HN TYR 19 26.322 -0.271 -4.165 134 HA TYR 19 HA TYR 19 27.408 0.626 -1.695 135 1HB TYR 19 HB2 TYR 19 25.816 -1.782 -2.531 136 2HB TYR 19 HB1 TYR 19 26.429 -1.629 -0.890 137 HD1 TYR 19 HD1 TYR 19 23.928 -0.597 -3.256 138 HD2 TYR 19 HD2 TYR 19 25.643 0.261 0.531 139 HE1 TYR 19 HE1 TYR 19 21.931 0.713 -2.658 140 HE2 TYR 19 HE2 TYR 19 23.659 1.574 1.148 141 HH TYR 19 HH TYR 19 20.793 1.385 -0.345 142 H ALA 20 HN ALA 20 28.359 -1.656 -4.061 143 HA ALA 20 HA ALA 20 30.136 -3.164 -2.380 144 1HB ALA 20 HB1 ALA 20 30.624 -4.416 -4.354 145 2HB ALA 20 HB2 ALA 20 29.927 -3.153 -5.376 146 3HB ALA 20 HB3 ALA 20 28.885 -4.105 -4.314 147 H SER 21 HN SER 21 30.458 -0.847 -5.046 148 HA SER 21 HA SER 21 33.290 -0.718 -4.895 149 1HB SER 21 HB2 SER 21 33.056 1.198 -6.416 150 2HB SER 21 HB1 SER 21 31.999 -0.128 -6.928 151 HG SER 21 HG SER 21 30.275 0.997 -6.373 152 H LEU 22 HN LEU 22 30.623 0.993 -3.410 153 HA LEU 22 HA LEU 22 32.219 2.880 -1.969 154 1HB LEU 22 HB2 LEU 22 29.577 2.679 -2.359 155 2HB LEU 22 HB1 LEU 22 29.675 1.876 -0.804 156 HG LEU 22 HG LEU 22 30.923 3.965 0.002 157 1HD1 LEU 22 HD11 LEU 22 30.454 6.009 -1.235 158 2HD1 LEU 22 HD12 LEU 22 29.667 5.071 -2.504 159 3HD1 LEU 22 HD13 LEU 22 31.396 4.883 -2.213 160 1HD2 LEU 22 HD21 LEU 22 28.538 5.217 -0.144 161 2HD2 LEU 22 HD22 LEU 22 28.896 3.906 0.982 162 3HD2 LEU 22 HD23 LEU 22 28.056 3.564 -0.531 163 H ARG 23 HN ARG 23 31.126 -0.438 -1.429 164 HA ARG 23 HA ARG 23 32.112 -0.556 1.250 165 1HB ARG 23 HB2 ARG 23 30.497 -2.198 0.346 166 2HB ARG 23 HB1 ARG 23 31.772 -2.850 -0.679 167 1HG ARG 23 HG2 ARG 23 33.086 -3.373 1.350 168 2HG ARG 23 HG1 ARG 23 31.722 -2.827 2.330 169 1HD ARG 23 HD2 ARG 23 31.560 -5.032 0.285 170 2HD ARG 23 HD1 ARG 23 31.812 -5.298 2.009 171 HE ARG 23 HE ARG 23 29.440 -3.810 1.121 172 1HH1 ARG 23 HH11 ARG 23 30.842 -6.671 2.588 173 2HH1 ARG 23 HH12 ARG 23 29.321 -7.235 3.228 174 1HH2 ARG 23 HH21 ARG 23 27.460 -4.563 1.926 175 2HH2 ARG 23 HH22 ARG 23 27.383 -6.061 2.810 176 H HIS 24 HN HIS 24 33.587 -1.081 -1.905 177 HA HIS 24 HA HIS 24 36.061 -2.042 -0.912 178 1HB HIS 24 HB2 HIS 24 35.161 -1.909 -3.374 179 2HB HIS 24 HB1 HIS 24 35.919 -0.320 -3.362 180 HD1 HIS 24 HD1 HIS 24 38.516 -0.238 -3.216 181 HD2 HIS 24 HD2 HIS 24 36.917 -4.072 -3.435 182 HE1 HIS 24 HE1 HIS 24 40.457 -1.760 -3.713 183 HE2 HIS 24 HE2 HIS 24 39.487 -4.091 -3.671 184 H TYR 25 HN TYR 25 34.737 1.153 -1.486 185 HA TYR 25 HA TYR 25 36.987 2.666 -0.753 186 1HB TYR 25 HB2 TYR 25 35.392 3.966 -1.787 187 2HB TYR 25 HB1 TYR 25 34.054 3.133 -1.010 188 HD1 TYR 25 HD1 TYR 25 32.774 4.461 0.360 189 HD2 TYR 25 HD2 TYR 25 36.949 5.247 0.083 190 HE1 TYR 25 HE1 TYR 25 32.517 6.333 1.919 191 HE2 TYR 25 HE2 TYR 25 36.704 7.120 1.653 192 HH TYR 25 HH TYR 25 33.998 8.626 2.312 193 H LEU 26 HN LEU 26 34.254 1.412 1.140 194 HA LEU 26 HA LEU 26 35.047 2.388 3.650 195 1HB LEU 26 HB2 LEU 26 33.497 -0.091 2.905 196 2HB LEU 26 HB1 LEU 26 33.692 0.474 4.553 197 HG LEU 26 HG LEU 26 32.444 2.186 2.413 198 1HD1 LEU 26 HD11 LEU 26 30.352 1.378 3.922 199 2HD1 LEU 26 HD12 LEU 26 31.326 -0.093 3.907 200 3HD1 LEU 26 HD13 LEU 26 30.807 0.637 2.386 201 1HD2 LEU 26 HD21 LEU 26 32.142 2.264 5.408 202 2HD2 LEU 26 HD22 LEU 26 31.596 3.461 4.234 203 3HD2 LEU 26 HD23 LEU 26 33.322 3.228 4.518 204 H ASN 27 HN ASN 27 35.543 -0.813 2.214 205 HA ASN 27 HA ASN 27 37.184 -2.034 4.011 206 1HB ASN 27 HB2 ASN 27 36.492 -2.434 1.334 207 2HB ASN 27 HB1 ASN 27 38.251 -2.369 1.324 208 1HD2 ASN 27 HD21 ASN 27 39.099 -4.314 1.407 209 2HD2 ASN 27 HD22 ASN 27 38.485 -5.664 2.301 210 H LEU 28 HN LEU 28 38.109 0.413 1.617 211 HA LEU 28 HA LEU 28 40.869 0.371 2.210 212 1HB LEU 28 HB2 LEU 28 40.226 1.428 0.172 213 2HB LEU 28 HB1 LEU 28 39.146 2.520 1.042 214 HG LEU 28 HG LEU 28 41.579 2.947 2.265 215 1HD1 LEU 28 HD11 LEU 28 42.293 1.678 -0.031 216 2HD1 LEU 28 HD12 LEU 28 43.294 2.874 0.794 217 3HD1 LEU 28 HD13 LEU 28 42.290 3.357 -0.575 218 1HD2 LEU 28 HD21 LEU 28 41.393 4.987 0.421 219 2HD2 LEU 28 HD22 LEU 28 40.546 4.918 1.967 220 3HD2 LEU 28 HD23 LEU 28 39.736 4.387 0.492 221 H VAL 29 HN VAL 29 38.313 2.585 3.193 222 HA VAL 29 HA VAL 29 40.009 4.358 4.473 223 HB VAL 29 HB VAL 29 38.049 5.288 5.657 224 1HG1 VAL 29 HG11 VAL 29 37.411 4.809 2.772 225 2HG1 VAL 29 HG12 VAL 29 38.763 5.817 3.290 226 3HG1 VAL 29 HG13 VAL 29 37.116 6.250 3.747 227 1HG2 VAL 29 HG21 VAL 29 36.941 2.782 5.362 228 2HG2 VAL 29 HG22 VAL 29 36.070 3.758 4.180 229 3HG2 VAL 29 HG23 VAL 29 36.094 4.240 5.876 230 H THR 30 HN THR 30 38.844 1.327 5.563 231 HA THR 30 HA THR 30 39.277 1.656 8.339 232 HB THR 30 HB THR 30 39.301 -0.691 8.526 233 HG1 THR 30 HG1 THR 30 39.811 -1.039 5.746 234 1HG2 THR 30 HG21 THR 30 37.164 0.108 7.730 235 2HG2 THR 30 HG22 THR 30 37.512 -1.459 6.992 236 3HG2 THR 30 HG23 THR 30 37.722 0.021 6.054 237 H ARG 31 HN ARG 31 41.413 1.907 5.782 238 HA ARG 31 HA ARG 31 43.821 0.883 6.595 239 1HB ARG 31 HB2 ARG 31 42.951 2.679 4.648 240 2HB ARG 31 HB1 ARG 31 44.161 3.566 5.566 241 1HG ARG 31 HG2 ARG 31 45.607 2.589 4.175 242 2HG ARG 31 HG1 ARG 31 45.408 1.185 5.225 243 1HD ARG 31 HD2 ARG 31 43.494 0.500 3.718 244 2HD ARG 31 HD1 ARG 31 44.041 1.753 2.603 245 HE ARG 31 HE ARG 31 45.849 -0.408 3.477 246 1HH1 ARG 31 HH11 ARG 31 44.210 1.351 0.943 247 2HH1 ARG 31 HH12 ARG 31 45.111 0.621 -0.346 248 1HH2 ARG 31 HH21 ARG 31 47.067 -1.382 1.777 249 2HH2 ARG 31 HH22 ARG 31 46.734 -0.937 0.131 250 H GLN 32 HN GLN 32 42.473 4.065 7.323 251 HA GLN 32 HA GLN 32 44.232 4.228 9.677 252 1HB GLN 32 HB2 GLN 32 43.167 6.780 9.235 253 2HB GLN 32 HB1 GLN 32 44.819 6.260 8.956 254 1HG GLN 32 HG2 GLN 32 43.952 7.384 7.007 255 2HG GLN 32 HG1 GLN 32 44.241 5.684 6.645 256 1HE2 GLN 32 HE21 GLN 32 41.561 7.601 8.012 257 2HE2 GLN 32 HE22 GLN 32 40.344 6.915 6.991 258 H ARG 33 HN ARG 33 40.996 4.651 8.416 259 HA ARG 33 HA ARG 33 38.949 4.793 9.338 260 1HB ARG 33 HB2 ARG 33 40.485 3.545 11.541 261 2HB ARG 33 HB1 ARG 33 38.953 4.291 11.978 262 1HG ARG 33 HG2 ARG 33 37.760 2.903 10.431 263 2HG ARG 33 HG1 ARG 33 39.268 2.243 9.794 264 1HD ARG 33 HD2 ARG 33 38.979 1.956 12.691 265 2HD ARG 33 HD1 ARG 33 37.735 1.116 11.761 266 HE ARG 33 HE ARG 33 39.408 -0.209 10.753 267 1HH1 ARG 33 HH11 ARG 33 40.632 1.899 13.272 268 2HH1 ARG 33 HH12 ARG 33 42.141 1.039 13.431 269 1HH2 ARG 33 HH21 ARG 33 41.376 -1.342 10.966 270 2HH2 ARG 33 HH22 ARG 33 42.551 -0.805 12.127 271 H TYR 34 HN TYR 34 41.089 5.950 11.940 272 HA TYR 34 HA TYR 34 41.255 7.929 13.026 273 1HB TYR 34 HB2 TYR 34 40.773 8.634 10.219 274 2HB TYR 34 HB1 TYR 34 40.361 9.912 11.355 275 HD1 TYR 34 HD1 TYR 34 42.033 11.495 11.427 276 HD2 TYR 34 HD2 TYR 34 43.120 7.387 11.220 277 HE1 TYR 34 HE1 TYR 34 44.406 12.118 11.595 278 HE2 TYR 34 HE2 TYR 34 45.496 7.999 11.390 279 HH TYR 34 HH TYR 34 46.799 10.556 10.717 280 1HN NH2 35 H1 NH2 35 37.681 7.653 13.966 281 2HN NH2 35 H2 NH2 35 38.958 6.536 13.642 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 27.295 5.804 7.563 2 2H ILE 1 HT2 ILE 1 27.094 7.480 7.395 3 3H ILE 1 HT3 ILE 1 28.367 6.874 8.319 4 HA ILE 1 HA ILE 1 28.911 7.715 6.005 5 HB ILE 1 HB ILE 1 30.231 5.398 5.596 6 1HG1 ILE 1 HG12 ILE 1 30.579 5.056 8.373 7 2HG1 ILE 1 HG11 ILE 1 28.841 5.040 8.098 8 1HG2 ILE 1 HG21 ILE 1 31.652 6.532 7.688 9 2HG2 ILE 1 HG22 ILE 1 30.704 7.866 7.029 10 3HG2 ILE 1 HG23 ILE 1 31.782 6.944 5.978 11 1HD1 ILE 1 HD11 ILE 1 30.572 2.916 7.814 12 2HD1 ILE 1 HD12 ILE 1 30.264 3.431 6.157 13 3HD1 ILE 1 HD13 ILE 1 28.916 3.006 7.215 14 H LYS 2 HN LYS 2 26.257 7.053 5.568 15 HA LYS 2 HA LYS 2 26.434 5.209 3.278 16 1HB LYS 2 HB2 LYS 2 25.265 4.270 5.329 17 2HB LYS 2 HB1 LYS 2 24.019 5.483 5.066 18 1HG LYS 2 HG2 LYS 2 24.499 4.089 2.622 19 2HG LYS 2 HG1 LYS 2 24.229 2.924 3.923 20 1HD LYS 2 HD2 LYS 2 22.096 3.689 4.347 21 2HD LYS 2 HD1 LYS 2 22.421 5.285 3.660 22 1HE LYS 2 HE2 LYS 2 21.434 4.583 1.795 23 2HE LYS 2 HE1 LYS 2 22.810 3.506 1.560 24 1HZ LYS 2 HZ1 LYS 2 20.198 2.890 2.815 25 2HZ LYS 2 HZ2 LYS 2 21.553 1.888 3.014 26 3HZ LYS 2 HZ3 LYS 2 20.919 2.149 1.464 27 HA PRO 3 HA PRO 3 24.996 9.146 1.432 28 1HB PRO 3 HB2 PRO 3 25.474 7.500 -0.993 29 2HB PRO 3 HB1 PRO 3 26.023 9.135 -0.613 30 1HG PRO 3 HG2 PRO 3 27.712 7.068 -0.552 31 2HG PRO 3 HG1 PRO 3 27.827 8.387 0.628 32 1HD PRO 3 HD2 PRO 3 26.708 5.634 0.961 33 2HD PRO 3 HD1 PRO 3 27.656 6.612 2.101 34 H GLU 4 HN GLU 4 22.903 9.576 1.082 35 HA GLU 4 HA GLU 4 21.010 7.438 0.834 36 1HB GLU 4 HB2 GLU 4 20.616 10.429 0.748 37 2HB GLU 4 HB1 GLU 4 19.324 9.240 0.841 38 1HG GLU 4 HG2 GLU 4 19.469 9.341 3.043 39 2HG GLU 4 HG1 GLU 4 21.064 8.601 2.922 40 H ALA 5 HN ALA 5 19.703 6.931 -0.888 41 HA ALA 5 HA ALA 5 19.749 8.192 -3.397 42 1HB ALA 5 HB1 ALA 5 21.237 5.724 -3.837 43 2HB ALA 5 HB2 ALA 5 22.134 6.932 -2.913 44 3HB ALA 5 HB3 ALA 5 21.486 7.338 -4.503 45 HA PRO 6 HA PRO 6 17.966 3.578 -3.687 46 1HB PRO 6 HB2 PRO 6 16.975 2.740 -1.245 47 2HB PRO 6 HB1 PRO 6 18.501 2.206 -1.955 48 1HG PRO 6 HG2 PRO 6 18.004 4.331 0.087 49 2HG PRO 6 HG1 PRO 6 19.289 3.108 0.031 50 1HD PRO 6 HD2 PRO 6 19.777 5.627 -0.676 51 2HD PRO 6 HD1 PRO 6 20.500 4.276 -1.577 52 H GLY 7 HN GLY 7 15.816 3.170 -4.060 53 1HA GLY 7 HA2 GLY 7 13.972 5.271 -3.099 54 2HA GLY 7 HA1 GLY 7 13.872 4.540 -4.695 55 H GLU 8 HN GLU 8 12.522 2.890 -4.956 56 HA GLU 8 HA GLU 8 11.143 1.795 -2.668 57 1HB GLU 8 HB2 GLU 8 10.773 0.696 -5.423 58 2HB GLU 8 HB1 GLU 8 9.580 0.954 -4.159 59 1HG GLU 8 HG2 GLU 8 10.851 3.071 -5.879 60 2HG GLU 8 HG1 GLU 8 9.200 2.472 -5.996 61 H ASP 9 HN ASP 9 13.634 0.924 -4.857 62 HA ASP 9 HA ASP 9 14.461 -1.189 -3.073 63 1HB ASP 9 HB2 ASP 9 13.063 -2.376 -4.754 64 2HB ASP 9 HB1 ASP 9 14.101 -1.749 -6.030 65 H ALA 10 HN ALA 10 15.790 -1.340 -6.182 66 HA ALA 10 HA ALA 10 17.600 0.856 -6.010 67 1HB ALA 10 HB1 ALA 10 19.570 -0.967 -5.982 68 2HB ALA 10 HB2 ALA 10 18.406 -1.767 -4.923 69 3HB ALA 10 HB3 ALA 10 18.984 -0.144 -4.531 70 H SER 11 HN SER 11 15.834 0.007 -7.955 71 HA SER 11 HA SER 11 15.561 -0.629 -10.115 72 1HB SER 11 HB2 SER 11 18.536 -0.280 -10.492 73 2HB SER 11 HB1 SER 11 17.229 0.095 -11.613 74 HG SER 11 HG SER 11 17.682 2.042 -10.839 75 HA PRO 12 HA PRO 12 17.026 -4.908 -10.738 76 1HB PRO 12 HB2 PRO 12 18.490 -4.986 -13.063 77 2HB PRO 12 HB1 PRO 12 16.724 -5.019 -12.998 78 1HG PRO 12 HG2 PRO 12 18.561 -2.719 -13.528 79 2HG PRO 12 HG1 PRO 12 17.030 -3.137 -14.319 80 1HD PRO 12 HD2 PRO 12 17.185 -1.203 -12.457 81 2HD PRO 12 HD1 PRO 12 15.757 -2.249 -12.600 82 H GLU 13 HN GLU 13 18.462 -3.845 -8.879 83 HA GLU 13 HA GLU 13 20.334 -4.220 -7.661 84 1HB GLU 13 HB2 GLU 13 20.358 -6.304 -9.454 85 2HB GLU 13 HB1 GLU 13 21.923 -5.560 -9.741 86 1HG GLU 13 HG2 GLU 13 21.881 -5.660 -7.030 87 2HG GLU 13 HG1 GLU 13 20.960 -7.106 -7.449 88 H GLU 14 HN GLU 14 19.980 -1.906 -9.292 89 HA GLU 14 HA GLU 14 22.478 -1.237 -10.514 90 1HB GLU 14 HB2 GLU 14 20.953 0.052 -11.566 91 2HB GLU 14 HB1 GLU 14 19.828 -0.025 -10.219 92 1HG GLU 14 HG2 GLU 14 20.252 2.142 -9.964 93 2HG GLU 14 HG1 GLU 14 21.778 1.635 -9.245 94 H LEU 15 HN LEU 15 20.752 -0.108 -7.623 95 HA LEU 15 HA LEU 15 22.945 1.478 -6.703 96 1HB LEU 15 HB2 LEU 15 20.234 1.259 -6.117 97 2HB LEU 15 HB1 LEU 15 21.049 0.761 -4.647 98 HG LEU 15 HG LEU 15 22.407 3.057 -5.409 99 1HD1 LEU 15 HD11 LEU 15 20.348 4.640 -5.481 100 2HD1 LEU 15 HD12 LEU 15 19.505 3.225 -6.114 101 3HD1 LEU 15 HD13 LEU 15 20.905 3.873 -6.966 102 1HD2 LEU 15 HD21 LEU 15 20.304 3.633 -3.551 103 2HD2 LEU 15 HD22 LEU 15 22.033 3.433 -3.260 104 3HD2 LEU 15 HD23 LEU 15 20.965 2.028 -3.239 105 H ASN 16 HN ASN 16 22.232 -1.832 -6.550 106 HA ASN 16 HA ASN 16 23.375 -2.527 -4.084 107 1HB ASN 16 HB2 ASN 16 22.148 -3.948 -6.014 108 2HB ASN 16 HB1 ASN 16 23.822 -4.360 -6.377 109 1HD2 ASN 16 HD21 ASN 16 21.148 -5.017 -4.445 110 2HD2 ASN 16 HD22 ASN 16 21.920 -6.053 -3.286 111 H ARG 17 HN ARG 17 24.808 -1.959 -7.272 112 HA ARG 17 HA ARG 17 27.447 -2.624 -6.380 113 1HB ARG 17 HB2 ARG 17 26.634 -1.008 -8.782 114 2HB ARG 17 HB1 ARG 17 28.257 -1.586 -8.418 115 1HG ARG 17 HG2 ARG 17 26.138 -3.637 -8.504 116 2HG ARG 17 HG1 ARG 17 26.546 -2.873 -10.044 117 1HD ARG 17 HD2 ARG 17 28.399 -4.086 -10.187 118 2HD ARG 17 HD1 ARG 17 28.949 -3.466 -8.631 119 HE ARG 17 HE ARG 17 27.066 -5.442 -8.098 120 1HH1 ARG 17 HH11 ARG 17 30.259 -5.167 -9.530 121 2HH1 ARG 17 HH12 ARG 17 30.698 -6.817 -9.169 122 1HH2 ARG 17 HH21 ARG 17 27.639 -7.606 -7.651 123 2HH2 ARG 17 HH22 ARG 17 29.208 -8.195 -8.112 124 H TYR 18 HN TYR 18 25.446 0.145 -6.028 125 HA TYR 18 HA TYR 18 27.620 1.950 -5.585 126 1HB TYR 18 HB2 TYR 18 25.887 3.389 -5.630 127 2HB TYR 18 HB1 TYR 18 24.723 2.090 -5.394 128 HD1 TYR 18 HD1 TYR 18 23.710 1.734 -3.310 129 HD2 TYR 18 HD2 TYR 18 26.950 4.468 -3.611 130 HE1 TYR 18 HE1 TYR 18 23.274 2.482 -1.029 131 HE2 TYR 18 HE2 TYR 18 26.520 5.235 -1.313 132 HH TYR 18 HH TYR 18 24.213 5.206 0.223 133 H TYR 19 HN TYR 19 25.621 -0.183 -3.610 134 HA TYR 19 HA TYR 19 26.908 0.305 -1.148 135 1HB TYR 19 HB2 TYR 19 25.438 -2.122 -2.181 136 2HB TYR 19 HB1 TYR 19 26.020 -1.977 -0.528 137 HD1 TYR 19 HD1 TYR 19 23.377 -1.213 -2.821 138 HD2 TYR 19 HD2 TYR 19 25.087 -0.085 0.901 139 HE1 TYR 19 HE1 TYR 19 21.266 -0.111 -2.193 140 HE2 TYR 19 HE2 TYR 19 22.988 1.015 1.549 141 HH TYR 19 HH TYR 19 20.154 0.460 0.277 142 H ALA 20 HN ALA 20 27.761 -1.508 -3.913 143 HA ALA 20 HA ALA 20 29.734 -3.163 -2.619 144 1HB ALA 20 HB1 ALA 20 29.054 -2.707 -5.517 145 2HB ALA 20 HB2 ALA 20 28.466 -4.021 -4.493 146 3HB ALA 20 HB3 ALA 20 30.177 -3.931 -4.918 147 H SER 21 HN SER 21 29.680 -0.496 -4.928 148 HA SER 21 HA SER 21 32.485 -0.200 -5.115 149 1HB SER 21 HB2 SER 21 31.977 1.830 -6.354 150 2HB SER 21 HB1 SER 21 30.815 0.581 -6.826 151 HG SER 21 HG SER 21 29.334 1.937 -6.258 152 H LEU 22 HN LEU 22 29.964 1.196 -3.125 153 HA LEU 22 HA LEU 22 31.690 3.001 -1.706 154 1HB LEU 22 HB2 LEU 22 29.446 3.628 -1.641 155 2HB LEU 22 HB1 LEU 22 28.891 1.998 -1.320 156 HG LEU 22 HG LEU 22 30.232 2.430 0.957 157 1HD1 LEU 22 HD11 LEU 22 29.763 5.084 -0.232 158 2HD1 LEU 22 HD12 LEU 22 30.963 4.565 0.952 159 3HD1 LEU 22 HD13 LEU 22 29.308 4.901 1.461 160 1HD2 LEU 22 HD21 LEU 22 27.958 3.333 1.813 161 2HD2 LEU 22 HD22 LEU 22 28.036 1.715 1.117 162 3HD2 LEU 22 HD23 LEU 22 27.423 3.058 0.153 163 H ARG 23 HN ARG 23 30.634 -0.365 -1.313 164 HA ARG 23 HA ARG 23 31.865 -0.688 1.246 165 1HB ARG 23 HB2 ARG 23 30.329 -2.361 0.624 166 2HB ARG 23 HB1 ARG 23 31.125 -2.644 -0.916 167 1HG ARG 23 HG2 ARG 23 33.110 -3.211 0.883 168 2HG ARG 23 HG1 ARG 23 31.658 -3.785 1.712 169 1HD ARG 23 HD2 ARG 23 31.489 -4.569 -1.016 170 2HD ARG 23 HD1 ARG 23 33.086 -5.015 -0.414 171 HE ARG 23 HE ARG 23 32.100 -6.509 1.062 172 1HH1 ARG 23 HH11 ARG 23 29.650 -4.712 -0.671 173 2HH1 ARG 23 HH12 ARG 23 28.352 -5.754 -0.185 174 1HH2 ARG 23 HH21 ARG 23 30.418 -7.885 1.704 175 2HH2 ARG 23 HH22 ARG 23 28.790 -7.560 1.187 176 H HIS 24 HN HIS 24 33.043 -1.131 -2.073 177 HA HIS 24 HA HIS 24 35.650 -1.958 -1.420 178 1HB HIS 24 HB2 HIS 24 35.640 -2.133 -3.664 179 2HB HIS 24 HB1 HIS 24 34.220 -1.109 -3.783 180 HD1 HIS 24 HD1 HIS 24 34.638 1.446 -4.234 181 HD2 HIS 24 HD2 HIS 24 38.050 -0.931 -4.359 182 HE1 HIS 24 HE1 HIS 24 36.397 2.850 -5.353 183 HE2 HIS 24 HE2 HIS 24 38.390 1.322 -5.591 184 H TYR 25 HN TYR 25 34.154 1.186 -1.702 185 HA TYR 25 HA TYR 25 36.436 2.779 -1.290 186 1HB TYR 25 HB2 TYR 25 34.524 3.816 -2.201 187 2HB TYR 25 HB1 TYR 25 33.472 3.182 -0.945 188 HD1 TYR 25 HD1 TYR 25 32.634 4.755 0.485 189 HD2 TYR 25 HD2 TYR 25 36.548 5.306 -1.098 190 HE1 TYR 25 HE1 TYR 25 32.820 6.868 1.697 191 HE2 TYR 25 HE2 TYR 25 36.753 7.419 0.135 192 HH TYR 25 HH TYR 25 35.341 9.122 1.098 193 H LEU 26 HN LEU 26 33.996 1.482 0.900 194 HA LEU 26 HA LEU 26 34.959 2.529 3.296 195 1HB LEU 26 HB2 LEU 26 32.928 0.790 2.480 196 2HB LEU 26 HB1 LEU 26 33.889 -0.125 3.628 197 HG LEU 26 HG LEU 26 33.620 2.261 4.900 198 1HD1 LEU 26 HD11 LEU 26 31.133 2.690 4.796 199 2HD1 LEU 26 HD12 LEU 26 31.122 1.735 3.312 200 3HD1 LEU 26 HD13 LEU 26 32.068 3.221 3.398 201 1HD2 LEU 26 HD21 LEU 26 31.467 0.286 5.357 202 2HD2 LEU 26 HD22 LEU 26 32.588 1.026 6.499 203 3HD2 LEU 26 HD23 LEU 26 33.126 -0.301 5.471 204 H ASN 27 HN ASN 27 35.351 -0.749 2.049 205 HA ASN 27 HA ASN 27 37.287 -1.736 3.707 206 1HB ASN 27 HB2 ASN 27 36.160 -2.922 1.764 207 2HB ASN 27 HB1 ASN 27 37.369 -2.177 0.724 208 1HD2 ASN 27 HD21 ASN 27 39.135 -3.325 0.366 209 2HD2 ASN 27 HD22 ASN 27 39.743 -4.600 1.364 210 H LEU 28 HN LEU 28 37.750 0.567 1.060 211 HA LEU 28 HA LEU 28 40.588 0.546 1.238 212 1HB LEU 28 HB2 LEU 28 39.593 1.406 -0.783 213 2HB LEU 28 HB1 LEU 28 38.734 2.634 0.148 214 HG LEU 28 HG LEU 28 41.269 3.122 0.924 215 1HD1 LEU 28 HD11 LEU 28 42.749 2.210 -0.470 216 2HD1 LEU 28 HD12 LEU 28 42.075 3.179 -1.780 217 3HD1 LEU 28 HD13 LEU 28 41.465 1.551 -1.484 218 1HD2 LEU 28 HD21 LEU 28 39.620 4.268 -1.324 219 2HD2 LEU 28 HD22 LEU 28 41.172 4.966 -0.856 220 3HD2 LEU 28 HD23 LEU 28 39.850 4.888 0.311 221 H VAL 29 HN VAL 29 38.144 2.817 2.350 222 HA VAL 29 HA VAL 29 39.870 4.725 3.319 223 HB VAL 29 HB VAL 29 38.084 5.631 4.713 224 1HG1 VAL 29 HG11 VAL 29 38.115 5.373 1.956 225 2HG1 VAL 29 HG12 VAL 29 37.220 6.558 2.907 226 3HG1 VAL 29 HG13 VAL 29 36.443 5.053 2.420 227 1HG2 VAL 29 HG21 VAL 29 36.272 3.417 3.833 228 2HG2 VAL 29 HG22 VAL 29 36.039 4.609 5.113 229 3HG2 VAL 29 HG23 VAL 29 37.199 3.296 5.326 230 H THR 30 HN THR 30 39.041 1.689 4.718 231 HA THR 30 HA THR 30 39.831 1.987 7.359 232 HB THR 30 HB THR 30 40.434 -0.338 7.361 233 HG1 THR 30 HG1 THR 30 40.203 -0.654 4.594 234 1HG2 THR 30 HG21 THR 30 38.070 0.062 7.159 235 2HG2 THR 30 HG22 THR 30 38.496 -1.332 6.164 236 3HG2 THR 30 HG23 THR 30 38.213 0.238 5.409 237 H ARG 31 HN ARG 31 41.679 2.565 4.576 238 HA ARG 31 HA ARG 31 44.262 1.986 5.044 239 1HB ARG 31 HB2 ARG 31 42.891 3.822 3.458 240 2HB ARG 31 HB1 ARG 31 44.044 4.798 4.358 241 1HG ARG 31 HG2 ARG 31 45.704 4.125 3.062 242 2HG ARG 31 HG1 ARG 31 45.320 2.430 3.370 243 1HD ARG 31 HD2 ARG 31 43.668 2.441 1.609 244 2HD ARG 31 HD1 ARG 31 43.913 4.170 1.358 245 HE ARG 31 HE ARG 31 46.064 3.698 0.439 246 1HH1 ARG 31 HH11 ARG 31 44.151 0.839 1.112 247 2HH1 ARG 31 HH12 ARG 31 45.028 -0.165 -0.012 248 1HH2 ARG 31 HH21 ARG 31 47.213 2.404 -1.030 249 2HH2 ARG 31 HH22 ARG 31 46.806 0.718 -1.210 250 H GLN 32 HN GLN 32 42.769 4.999 6.206 251 HA GLN 32 HA GLN 32 44.577 4.929 8.532 252 1HB GLN 32 HB2 GLN 32 44.650 7.266 8.561 253 2HB GLN 32 HB1 GLN 32 44.715 6.884 6.849 254 1HG GLN 32 HG2 GLN 32 42.243 7.726 8.350 255 2HG GLN 32 HG1 GLN 32 43.240 8.774 7.340 256 1HE2 GLN 32 HE21 GLN 32 40.397 7.443 7.316 257 2HE2 GLN 32 HE22 GLN 32 40.226 6.996 5.651 258 H ARG 33 HN ARG 33 41.429 4.588 7.473 259 HA ARG 33 HA ARG 33 39.421 4.316 8.454 260 1HB ARG 33 HB2 ARG 33 41.275 3.982 10.745 261 2HB ARG 33 HB1 ARG 33 39.584 4.275 11.130 262 1HG ARG 33 HG2 ARG 33 39.008 2.202 10.587 263 2HG ARG 33 HG1 ARG 33 39.878 2.284 9.055 264 1HD ARG 33 HD2 ARG 33 41.082 1.672 11.751 265 2HD ARG 33 HD1 ARG 33 40.756 0.507 10.468 266 HE ARG 33 HE ARG 33 42.442 1.659 9.126 267 1HH1 ARG 33 HH11 ARG 33 42.460 2.246 12.589 268 2HH1 ARG 33 HH12 ARG 33 44.140 2.704 12.624 269 1HH2 ARG 33 HH21 ARG 33 44.632 2.297 9.171 270 2HH2 ARG 33 HH22 ARG 33 45.367 2.739 10.680 271 H TYR 34 HN TYR 34 40.338 6.002 11.337 272 HA TYR 34 HA TYR 34 39.669 7.962 12.251 273 1HB TYR 34 HB2 TYR 34 40.373 8.665 9.461 274 2HB TYR 34 HB1 TYR 34 39.426 9.856 10.347 275 HD1 TYR 34 HD1 TYR 34 40.484 11.343 11.787 276 HD2 TYR 34 HD2 TYR 34 42.516 7.791 10.617 277 HE1 TYR 34 HE1 TYR 34 42.519 12.146 12.903 278 HE2 TYR 34 HE2 TYR 34 44.553 8.582 11.736 279 HH TYR 34 HH TYR 34 44.637 11.735 13.380 280 1HN NH2 35 H1 NH2 35 36.165 7.098 11.440 281 2HN NH2 35 H2 NH2 35 37.593 6.224 11.870 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 30.842 9.494 5.995 2 2H ILE 1 HT2 ILE 1 30.168 8.630 4.700 3 3H ILE 1 HT3 ILE 1 31.710 8.233 5.272 4 HA ILE 1 HA ILE 1 30.932 6.888 6.804 5 HB ILE 1 HB ILE 1 28.548 8.423 7.647 6 1HG1 ILE 1 HG12 ILE 1 30.421 10.122 7.076 7 2HG1 ILE 1 HG11 ILE 1 29.625 10.236 8.640 8 1HG2 ILE 1 HG21 ILE 1 29.308 7.799 9.850 9 2HG2 ILE 1 HG22 ILE 1 30.838 7.226 9.189 10 3HG2 ILE 1 HG23 ILE 1 29.338 6.397 8.779 11 1HD1 ILE 1 HD11 ILE 1 32.254 10.355 8.357 12 2HD1 ILE 1 HD12 ILE 1 32.088 8.605 8.490 13 3HD1 ILE 1 HD13 ILE 1 31.491 9.648 9.779 14 H LYS 2 HN LYS 2 27.786 8.359 6.070 15 HA LYS 2 HA LYS 2 26.955 5.775 4.938 16 1HB LYS 2 HB2 LYS 2 25.739 6.483 6.977 17 2HB LYS 2 HB1 LYS 2 25.255 7.962 6.159 18 1HG LYS 2 HG2 LYS 2 24.422 5.976 4.438 19 2HG LYS 2 HG1 LYS 2 24.098 5.307 6.040 20 1HD LYS 2 HD2 LYS 2 22.208 6.509 5.999 21 2HD LYS 2 HD1 LYS 2 23.233 7.925 6.252 22 1HE LYS 2 HE2 LYS 2 23.483 7.903 3.681 23 2HE LYS 2 HE1 LYS 2 22.056 6.868 3.710 24 1HZ LYS 2 HZ1 LYS 2 22.087 9.611 3.753 25 2HZ LYS 2 HZ2 LYS 2 21.722 9.178 5.351 26 3HZ LYS 2 HZ3 LYS 2 20.755 8.615 4.079 27 HA PRO 3 HA PRO 3 26.585 8.065 1.100 28 1HB PRO 3 HB2 PRO 3 25.831 5.986 -0.432 29 2HB PRO 3 HB1 PRO 3 27.495 6.163 0.137 30 1HG PRO 3 HG2 PRO 3 25.300 4.432 1.212 31 2HG PRO 3 HG1 PRO 3 27.011 4.042 0.955 32 1HD PRO 3 HD2 PRO 3 25.963 4.719 3.386 33 2HD PRO 3 HD1 PRO 3 27.653 5.011 2.932 34 H GLU 4 HN GLU 4 24.879 9.263 0.499 35 HA GLU 4 HA GLU 4 22.279 8.800 1.498 36 1HB GLU 4 HB2 GLU 4 22.846 10.572 -0.863 37 2HB GLU 4 HB1 GLU 4 21.646 10.779 0.404 38 1HG GLU 4 HG2 GLU 4 24.620 11.025 0.800 39 2HG GLU 4 HG1 GLU 4 23.517 12.374 0.547 40 H ALA 5 HN ALA 5 20.695 7.584 0.759 41 HA ALA 5 HA ALA 5 21.053 5.734 -1.298 42 1HB ALA 5 HB1 ALA 5 19.080 6.315 0.659 43 2HB ALA 5 HB2 ALA 5 19.315 4.832 -0.267 44 3HB ALA 5 HB3 ALA 5 18.270 6.107 -0.895 45 HA PRO 6 HA PRO 6 20.056 7.974 -4.991 46 1HB PRO 6 HB2 PRO 6 19.239 5.390 -6.121 47 2HB PRO 6 HB1 PRO 6 20.569 6.448 -6.594 48 1HG PRO 6 HG2 PRO 6 21.007 4.104 -5.366 49 2HG PRO 6 HG1 PRO 6 22.030 5.522 -5.063 50 1HD PRO 6 HD2 PRO 6 19.790 4.414 -3.406 51 2HD PRO 6 HD1 PRO 6 21.379 5.022 -2.889 52 H GLY 7 HN GLY 7 17.937 5.515 -5.941 53 1HA GLY 7 HA2 GLY 7 15.533 5.565 -5.053 54 2HA GLY 7 HA1 GLY 7 15.635 7.281 -5.424 55 H GLU 8 HN GLU 8 17.205 6.915 -7.817 56 HA GLU 8 HA GLU 8 15.045 6.021 -9.590 57 1HB GLU 8 HB2 GLU 8 16.774 8.286 -9.569 58 2HB GLU 8 HB1 GLU 8 17.152 7.339 -11.001 59 1HG GLU 8 HG2 GLU 8 14.323 8.047 -10.326 60 2HG GLU 8 HG1 GLU 8 15.376 9.187 -11.164 61 H ASP 9 HN ASP 9 17.401 4.520 -8.205 62 HA ASP 9 HA ASP 9 18.087 2.805 -10.357 63 1HB ASP 9 HB2 ASP 9 20.626 3.221 -9.987 64 2HB ASP 9 HB1 ASP 9 19.739 4.301 -11.055 65 H ALA 10 HN ALA 10 17.423 1.172 -9.157 66 HA ALA 10 HA ALA 10 19.214 -0.094 -7.448 67 1HB ALA 10 HB1 ALA 10 16.889 0.326 -5.739 68 2HB ALA 10 HB2 ALA 10 17.822 1.798 -6.036 69 3HB ALA 10 HB3 ALA 10 18.612 0.375 -5.348 70 H SER 11 HN SER 11 16.412 0.100 -9.240 71 HA SER 11 HA SER 11 15.017 -2.174 -8.274 72 1HB SER 11 HB2 SER 11 14.745 -0.895 -10.978 73 2HB SER 11 HB1 SER 11 13.541 -1.868 -10.135 74 HG SER 11 HG SER 11 13.629 0.670 -10.077 75 HA PRO 12 HA PRO 12 17.114 -4.657 -11.797 76 1HB PRO 12 HB2 PRO 12 19.089 -2.865 -13.008 77 2HB PRO 12 HB1 PRO 12 17.839 -3.835 -13.789 78 1HG PRO 12 HG2 PRO 12 17.680 -1.159 -13.706 79 2HG PRO 12 HG1 PRO 12 16.235 -2.181 -13.577 80 1HD PRO 12 HD2 PRO 12 17.805 -0.858 -11.384 81 2HD PRO 12 HD1 PRO 12 16.046 -0.884 -11.648 82 H GLU 13 HN GLU 13 17.996 -3.376 -9.223 83 HA GLU 13 HA GLU 13 19.357 -3.997 -7.580 84 1HB GLU 13 HB2 GLU 13 19.815 -6.020 -9.500 85 2HB GLU 13 HB1 GLU 13 21.389 -5.535 -8.892 86 1HG GLU 13 HG2 GLU 13 19.488 -7.248 -7.702 87 2HG GLU 13 HG1 GLU 13 21.072 -6.778 -7.097 88 H GLU 14 HN GLU 14 19.747 -1.641 -9.084 89 HA GLU 14 HA GLU 14 22.553 -1.151 -9.116 90 1HB GLU 14 HB2 GLU 14 20.149 0.640 -9.044 91 2HB GLU 14 HB1 GLU 14 21.770 1.297 -8.854 92 1HG GLU 14 HG2 GLU 14 21.691 1.503 -11.076 93 2HG GLU 14 HG1 GLU 14 22.098 -0.213 -11.066 94 H LEU 15 HN LEU 15 20.167 -1.457 -6.700 95 HA LEU 15 HA LEU 15 21.363 -0.049 -4.580 96 1HB LEU 15 HB2 LEU 15 19.030 -1.147 -4.720 97 2HB LEU 15 HB1 LEU 15 19.847 -2.624 -4.244 98 HG LEU 15 HG LEU 15 20.739 -1.092 -2.274 99 1HD1 LEU 15 HD11 LEU 15 19.861 0.987 -2.688 100 2HD1 LEU 15 HD12 LEU 15 18.640 0.306 -1.613 101 3HD1 LEU 15 HD13 LEU 15 18.360 0.341 -3.356 102 1HD2 LEU 15 HD21 LEU 15 19.623 -2.799 -1.362 103 2HD2 LEU 15 HD22 LEU 15 18.406 -2.803 -2.637 104 3HD2 LEU 15 HD23 LEU 15 18.259 -1.685 -1.282 105 H ASN 16 HN ASN 16 21.803 -3.314 -5.839 106 HA ASN 16 HA ASN 16 23.572 -4.267 -3.902 107 1HB ASN 16 HB2 ASN 16 22.687 -5.088 -6.503 108 2HB ASN 16 HB1 ASN 16 24.435 -5.292 -6.391 109 1HD2 ASN 16 HD21 ASN 16 21.429 -5.954 -4.662 110 2HD2 ASN 16 HD22 ASN 16 21.951 -7.464 -3.983 111 H ARG 17 HN ARG 17 24.162 -2.318 -6.803 112 HA ARG 17 HA ARG 17 26.999 -2.289 -6.347 113 1HB ARG 17 HB2 ARG 17 25.347 -0.523 -8.140 114 2HB ARG 17 HB1 ARG 17 27.107 -0.577 -8.076 115 1HG ARG 17 HG2 ARG 17 27.168 -2.293 -9.479 116 2HG ARG 17 HG1 ARG 17 26.027 -3.214 -8.495 117 1HD ARG 17 HD2 ARG 17 24.159 -2.189 -9.583 118 2HD ARG 17 HD1 ARG 17 25.208 -1.052 -10.431 119 HE ARG 17 HE ARG 17 24.955 -3.930 -10.985 120 1HH1 ARG 17 HH11 ARG 17 26.134 -0.754 -11.882 121 2HH1 ARG 17 HH12 ARG 17 26.621 -1.237 -13.477 122 1HH2 ARG 17 HH21 ARG 17 25.573 -4.577 -13.079 123 2HH2 ARG 17 HH22 ARG 17 26.290 -3.412 -14.168 124 H TYR 18 HN TYR 18 24.319 -0.513 -5.121 125 HA TYR 18 HA TYR 18 25.864 1.768 -4.374 126 1HB TYR 18 HB2 TYR 18 23.808 2.535 -3.867 127 2HB TYR 18 HB1 TYR 18 23.128 0.926 -4.060 128 HD1 TYR 18 HD1 TYR 18 25.054 2.912 -1.523 129 HD2 TYR 18 HD2 TYR 18 22.055 -0.001 -2.277 130 HE1 TYR 18 HE1 TYR 18 24.583 2.787 0.886 131 HE2 TYR 18 HE2 TYR 18 21.563 -0.135 0.111 132 HH TYR 18 HH TYR 18 21.821 1.091 2.126 133 H TYR 19 HN TYR 19 25.005 -1.321 -2.925 134 HA TYR 19 HA TYR 19 26.499 -1.001 -0.537 135 1HB TYR 19 HB2 TYR 19 25.437 -3.366 -2.050 136 2HB TYR 19 HB1 TYR 19 26.486 -3.599 -0.658 137 HD1 TYR 19 HD1 TYR 19 25.732 -2.921 1.587 138 HD2 TYR 19 HD2 TYR 19 23.168 -2.673 -1.799 139 HE1 TYR 19 HE1 TYR 19 23.786 -2.763 3.085 140 HE2 TYR 19 HE2 TYR 19 21.211 -2.519 -0.305 141 HH TYR 19 HH TYR 19 20.831 -3.394 2.326 142 H ALA 20 HN ALA 20 27.296 -1.830 -3.761 143 HA ALA 20 HA ALA 20 29.761 -3.187 -3.172 144 1HB ALA 20 HB1 ALA 20 29.975 -3.336 -5.598 145 2HB ALA 20 HB2 ALA 20 28.592 -2.248 -5.786 146 3HB ALA 20 HB3 ALA 20 28.372 -3.845 -5.062 147 H SER 21 HN SER 21 28.886 -0.215 -4.886 148 HA SER 21 HA SER 21 31.561 0.700 -5.084 149 1HB SER 21 HB2 SER 21 28.849 1.736 -5.756 150 2HB SER 21 HB1 SER 21 30.156 2.925 -5.600 151 HG SER 21 HG SER 21 30.506 2.330 -7.615 152 H LEU 22 HN LEU 22 28.955 1.169 -2.760 153 HA LEU 22 HA LEU 22 30.400 3.066 -1.158 154 1HB LEU 22 HB2 LEU 22 28.306 3.143 -0.346 155 2HB LEU 22 HB1 LEU 22 27.924 1.529 -0.906 156 HG LEU 22 HG LEU 22 29.346 0.778 1.157 157 1HD1 LEU 22 HD11 LEU 22 29.015 2.374 3.056 158 2HD1 LEU 22 HD12 LEU 22 28.603 3.604 1.859 159 3HD1 LEU 22 HD13 LEU 22 30.210 2.876 1.858 160 1HD2 LEU 22 HD21 LEU 22 26.674 1.974 1.766 161 2HD2 LEU 22 HD22 LEU 22 27.379 0.466 2.349 162 3HD2 LEU 22 HD23 LEU 22 26.832 0.596 0.677 163 H ARG 23 HN ARG 23 30.273 -0.476 -1.406 164 HA ARG 23 HA ARG 23 32.025 -0.854 0.823 165 1HB ARG 23 HB2 ARG 23 30.575 -2.559 -0.740 166 2HB ARG 23 HB1 ARG 23 32.219 -2.876 -1.285 167 1HG ARG 23 HG2 ARG 23 32.120 -4.354 0.434 168 2HG ARG 23 HG1 ARG 23 32.684 -2.928 1.323 169 1HD ARG 23 HD2 ARG 23 30.868 -3.023 2.611 170 2HD ARG 23 HD1 ARG 23 29.848 -2.810 1.190 171 HE ARG 23 HE ARG 23 30.307 -5.233 2.657 172 1HH1 ARG 23 HH11 ARG 23 29.441 -3.943 -0.494 173 2HH1 ARG 23 HH12 ARG 23 28.625 -5.394 -0.999 174 1HH2 ARG 23 HH21 ARG 23 29.192 -7.111 2.001 175 2HH2 ARG 23 HH22 ARG 23 28.495 -7.184 0.412 176 H HIS 24 HN HIS 24 32.566 0.031 -2.488 177 HA HIS 24 HA HIS 24 35.357 -0.492 -2.547 178 1HB HIS 24 HB2 HIS 24 33.575 0.357 -4.411 179 2HB HIS 24 HB1 HIS 24 34.358 1.884 -4.015 180 HD1 HIS 24 HD1 HIS 24 36.768 2.230 -4.836 181 HD2 HIS 24 HD2 HIS 24 35.257 -1.569 -5.631 182 HE1 HIS 24 HE1 HIS 24 38.404 1.160 -6.419 183 HE2 HIS 24 HE2 HIS 24 37.407 -1.088 -6.983 184 H TYR 25 HN TYR 25 33.415 2.348 -1.753 185 HA TYR 25 HA TYR 25 35.523 3.995 -0.889 186 1HB TYR 25 HB2 TYR 25 33.626 5.237 -1.136 187 2HB TYR 25 HB1 TYR 25 32.580 3.935 -0.593 188 HD1 TYR 25 HD1 TYR 25 31.406 4.344 1.309 189 HD2 TYR 25 HD2 TYR 25 35.253 6.102 0.883 190 HE1 TYR 25 HE1 TYR 25 31.133 5.436 3.478 191 HE2 TYR 25 HE2 TYR 25 35.006 7.199 3.056 192 HH TYR 25 HH TYR 25 33.246 6.418 5.328 193 H LEU 26 HN LEU 26 33.385 1.796 0.925 194 HA LEU 26 HA LEU 26 34.465 2.127 3.461 195 1HB LEU 26 HB2 LEU 26 33.245 -0.278 2.122 196 2HB LEU 26 HB1 LEU 26 33.779 -0.318 3.792 197 HG LEU 26 HG LEU 26 31.648 1.486 2.656 198 1HD1 LEU 26 HD11 LEU 26 30.069 0.121 3.602 199 2HD1 LEU 26 HD12 LEU 26 31.203 -0.579 4.754 200 3HD1 LEU 26 HD13 LEU 26 31.261 -1.059 3.060 201 1HD2 LEU 26 HD21 LEU 26 32.169 1.167 5.573 202 2HD2 LEU 26 HD22 LEU 26 31.421 2.505 4.699 203 3HD2 LEU 26 HD23 LEU 26 33.169 2.278 4.638 204 H ASN 27 HN ASN 27 35.230 -0.452 1.151 205 HA ASN 27 HA ASN 27 37.401 -1.671 2.109 206 1HB ASN 27 HB2 ASN 27 36.387 -1.172 -0.483 207 2HB ASN 27 HB1 ASN 27 38.117 -0.862 -0.550 208 1HD2 ASN 27 HD21 ASN 27 35.746 -3.167 -0.713 209 2HD2 ASN 27 HD22 ASN 27 36.728 -4.584 -0.549 210 H LEU 28 HN LEU 28 37.592 1.499 0.469 211 HA LEU 28 HA LEU 28 40.377 1.772 0.974 212 1HB LEU 28 HB2 LEU 28 39.418 3.085 -0.808 213 2HB LEU 28 HB1 LEU 28 38.322 3.872 0.338 214 HG LEU 28 HG LEU 28 40.709 4.368 1.514 215 1HD1 LEU 28 HD11 LEU 28 41.301 4.893 -1.394 216 2HD1 LEU 28 HD12 LEU 28 41.721 3.347 -0.657 217 3HD1 LEU 28 HD13 LEU 28 42.403 4.843 -0.018 218 1HD2 LEU 28 HD21 LEU 28 40.302 6.604 0.989 219 2HD2 LEU 28 HD22 LEU 28 38.709 5.871 0.792 220 3HD2 LEU 28 HD23 LEU 28 39.697 6.230 -0.626 221 H VAL 29 HN VAL 29 37.573 3.336 2.355 222 HA VAL 29 HA VAL 29 38.930 5.169 3.897 223 HB VAL 29 HB VAL 29 36.540 5.314 3.285 224 1HG1 VAL 29 HG11 VAL 29 35.203 4.178 5.408 225 2HG1 VAL 29 HG12 VAL 29 36.364 2.937 4.925 226 3HG1 VAL 29 HG13 VAL 29 35.228 3.592 3.741 227 1HG2 VAL 29 HG21 VAL 29 37.588 5.888 5.984 228 2HG2 VAL 29 HG22 VAL 29 35.847 6.051 5.746 229 3HG2 VAL 29 HG23 VAL 29 36.963 6.979 4.745 230 H THR 30 HN THR 30 38.402 1.837 4.537 231 HA THR 30 HA THR 30 38.798 1.704 7.292 232 HB THR 30 HB THR 30 39.640 -0.538 6.946 233 HG1 THR 30 HG1 THR 30 39.723 -0.151 4.142 234 1HG2 THR 30 HG21 THR 30 37.896 -1.467 5.513 235 2HG2 THR 30 HG22 THR 30 37.601 0.137 4.830 236 3HG2 THR 30 HG23 THR 30 37.248 -0.179 6.533 237 H ARG 31 HN ARG 31 40.894 2.748 4.816 238 HA ARG 31 HA ARG 31 43.438 2.263 5.505 239 1HB ARG 31 HB2 ARG 31 42.288 3.952 3.788 240 2HB ARG 31 HB1 ARG 31 42.857 5.115 4.981 241 1HG ARG 31 HG2 ARG 31 44.899 5.001 4.151 242 2HG ARG 31 HG1 ARG 31 44.948 3.263 4.450 243 1HD ARG 31 HD2 ARG 31 44.208 2.749 2.308 244 2HD ARG 31 HD1 ARG 31 43.526 4.355 2.056 245 HE ARG 31 HE ARG 31 45.908 5.148 2.012 246 1HH1 ARG 31 HH11 ARG 31 45.050 1.866 1.099 247 2HH1 ARG 31 HH12 ARG 31 46.451 1.647 0.091 248 1HH2 ARG 31 HH21 ARG 31 47.738 4.867 0.690 249 2HH2 ARG 31 HH22 ARG 31 48.000 3.351 -0.126 250 H GLN 32 HN GLN 32 41.605 5.004 6.797 251 HA GLN 32 HA GLN 32 43.201 4.858 9.261 252 1HB GLN 32 HB2 GLN 32 43.427 7.217 9.359 253 2HB GLN 32 HB1 GLN 32 43.851 6.764 7.716 254 1HG GLN 32 HG2 GLN 32 41.222 7.929 8.612 255 2HG GLN 32 HG1 GLN 32 42.504 8.783 7.752 256 1HE2 GLN 32 HE21 GLN 32 39.593 7.430 7.370 257 2HE2 GLN 32 HE22 GLN 32 39.683 6.962 5.703 258 H ARG 33 HN ARG 33 40.244 4.645 7.868 259 HA ARG 33 HA ARG 33 38.086 4.801 8.476 260 1HB ARG 33 HB2 ARG 33 39.503 3.754 10.723 261 2HB ARG 33 HB1 ARG 33 38.203 4.784 11.311 262 1HG ARG 33 HG2 ARG 33 36.573 3.404 10.544 263 2HG ARG 33 HG1 ARG 33 37.524 2.869 9.158 264 1HD ARG 33 HD2 ARG 33 37.039 1.413 11.442 265 2HD ARG 33 HD1 ARG 33 38.303 1.088 10.257 266 HE ARG 33 HE ARG 33 38.757 2.778 12.637 267 1HH1 ARG 33 HH11 ARG 33 39.683 0.136 10.533 268 2HH1 ARG 33 HH12 ARG 33 41.200 -0.140 11.321 269 1HH2 ARG 33 HH21 ARG 33 40.772 2.422 13.675 270 2HH2 ARG 33 HH22 ARG 33 41.817 1.150 13.115 271 H TYR 34 HN TYR 34 38.107 6.099 11.536 272 HA TYR 34 HA TYR 34 37.731 8.811 10.457 273 1HB TYR 34 HB2 TYR 34 36.151 7.601 12.734 274 2HB TYR 34 HB1 TYR 34 35.857 9.142 11.931 275 HD1 TYR 34 HD1 TYR 34 35.656 8.782 9.216 276 HD2 TYR 34 HD2 TYR 34 34.638 5.942 12.218 277 HE1 TYR 34 HE1 TYR 34 34.151 7.662 7.630 278 HE2 TYR 34 HE2 TYR 34 33.124 4.811 10.641 279 HH TYR 34 HH TYR 34 32.921 4.597 8.104 280 1HN NH2 35 H1 NH2 35 39.323 10.286 13.244 281 2HN NH2 35 H2 NH2 35 38.239 10.547 11.922 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 33.930 10.713 0.778 2 2H ILE 1 HT2 ILE 1 33.843 10.079 -0.792 3 3H ILE 1 HT3 ILE 1 33.407 9.122 0.536 4 HA ILE 1 HA ILE 1 31.928 11.530 0.514 5 HB ILE 1 HB ILE 1 32.419 11.056 -2.002 6 1HG1 ILE 1 HG12 ILE 1 29.704 11.389 -2.263 7 2HG1 ILE 1 HG11 ILE 1 29.983 11.890 -0.598 8 1HG2 ILE 1 HG21 ILE 1 30.133 9.136 -1.683 9 2HG2 ILE 1 HG22 ILE 1 31.813 8.603 -1.722 10 3HG2 ILE 1 HG23 ILE 1 31.122 9.442 -3.112 11 1HD1 ILE 1 HD11 ILE 1 31.794 12.971 -2.677 12 2HD1 ILE 1 HD12 ILE 1 31.167 13.725 -1.209 13 3HD1 ILE 1 HD13 ILE 1 30.136 13.572 -2.633 14 H LYS 2 HN LYS 2 29.656 11.002 0.934 15 HA LYS 2 HA LYS 2 29.369 8.300 2.061 16 1HB LYS 2 HB2 LYS 2 28.873 10.914 3.154 17 2HB LYS 2 HB1 LYS 2 27.366 10.008 3.094 18 1HG LYS 2 HG2 LYS 2 28.662 8.121 4.222 19 2HG LYS 2 HG1 LYS 2 29.896 9.340 4.554 20 1HD LYS 2 HD2 LYS 2 28.674 10.289 6.179 21 2HD LYS 2 HD1 LYS 2 27.190 10.208 5.227 22 1HE LYS 2 HE2 LYS 2 27.856 7.563 5.930 23 2HE LYS 2 HE1 LYS 2 28.053 8.538 7.385 24 1HZ LYS 2 HZ1 LYS 2 25.781 9.436 6.915 25 2HZ LYS 2 HZ2 LYS 2 25.832 7.796 7.344 26 3HZ LYS 2 HZ3 LYS 2 25.618 8.241 5.721 27 HA PRO 3 HA PRO 3 26.277 7.727 -1.119 28 1HB PRO 3 HB2 PRO 3 25.465 5.423 0.529 29 2HB PRO 3 HB1 PRO 3 26.030 5.462 -1.143 30 1HG PRO 3 HG2 PRO 3 27.563 4.490 0.823 31 2HG PRO 3 HG1 PRO 3 28.252 5.395 -0.538 32 1HD PRO 3 HD2 PRO 3 27.691 6.318 2.260 33 2HD PRO 3 HD1 PRO 3 29.094 6.655 1.222 34 H GLU 4 HN GLU 4 24.068 8.014 -1.330 35 HA GLU 4 HA GLU 4 22.726 9.141 0.956 36 1HB GLU 4 HB2 GLU 4 22.546 9.464 -1.828 37 2HB GLU 4 HB1 GLU 4 21.005 8.782 -1.329 38 1HG GLU 4 HG2 GLU 4 21.581 10.786 0.535 39 2HG GLU 4 HG1 GLU 4 21.995 11.458 -1.041 40 H ALA 5 HN ALA 5 23.125 6.158 -0.318 41 HA ALA 5 HA ALA 5 22.312 4.092 0.109 42 1HB ALA 5 HB1 ALA 5 22.699 5.247 2.458 43 2HB ALA 5 HB2 ALA 5 22.038 3.619 2.305 44 3HB ALA 5 HB3 ALA 5 20.958 4.987 2.583 45 HA PRO 6 HA PRO 6 18.027 4.642 -1.521 46 1HB PRO 6 HB2 PRO 6 18.974 2.278 -3.033 47 2HB PRO 6 HB1 PRO 6 18.145 3.726 -3.613 48 1HG PRO 6 HG2 PRO 6 20.737 3.335 -4.109 49 2HG PRO 6 HG1 PRO 6 20.104 4.953 -3.753 50 1HD PRO 6 HD2 PRO 6 21.589 3.063 -1.964 51 2HD PRO 6 HD1 PRO 6 21.758 4.824 -2.126 52 H GLY 7 HN GLY 7 16.362 2.834 -1.654 53 1HA GLY 7 HA2 GLY 7 16.349 1.544 0.884 54 2HA GLY 7 HA1 GLY 7 15.102 1.429 -0.345 55 H GLU 8 HN GLU 8 18.158 0.122 0.750 56 HA GLU 8 HA GLU 8 18.744 -2.053 1.066 57 1HB GLU 8 HB2 GLU 8 15.995 -2.311 0.370 58 2HB GLU 8 HB1 GLU 8 16.900 -3.546 -0.494 59 1HG GLU 8 HG2 GLU 8 16.392 -4.639 1.447 60 2HG GLU 8 HG1 GLU 8 17.983 -3.982 1.834 61 H ASP 9 HN ASP 9 17.385 -1.621 -2.116 62 HA ASP 9 HA ASP 9 19.784 -2.035 -3.548 63 1HB ASP 9 HB2 ASP 9 18.950 -4.415 -2.594 64 2HB ASP 9 HB1 ASP 9 17.966 -4.343 -4.050 65 H ALA 10 HN ALA 10 19.138 -0.322 -4.692 66 HA ALA 10 HA ALA 10 16.527 0.260 -5.502 67 1HB ALA 10 HB1 ALA 10 18.766 1.381 -7.074 68 2HB ALA 10 HB2 ALA 10 18.765 1.689 -5.338 69 3HB ALA 10 HB3 ALA 10 17.389 2.186 -6.324 70 H SER 11 HN SER 11 15.472 0.180 -7.464 71 HA SER 11 HA SER 11 14.750 -0.734 -9.413 72 1HB SER 11 HB2 SER 11 17.643 -0.865 -10.248 73 2HB SER 11 HB1 SER 11 16.228 -0.534 -11.246 74 HG SER 11 HG SER 11 16.614 1.234 -9.157 75 HA PRO 12 HA PRO 12 15.563 -5.216 -9.644 76 1HB PRO 12 HB2 PRO 12 16.325 -5.222 -12.479 77 2HB PRO 12 HB1 PRO 12 14.940 -5.981 -11.691 78 1HG PRO 12 HG2 PRO 12 14.679 -3.848 -13.313 79 2HG PRO 12 HG1 PRO 12 13.616 -4.117 -11.921 80 1HD PRO 12 HD2 PRO 12 15.953 -2.267 -12.196 81 2HD PRO 12 HD1 PRO 12 14.387 -1.997 -11.398 82 H GLU 13 HN GLU 13 17.567 -4.308 -8.440 83 HA GLU 13 HA GLU 13 19.675 -4.850 -7.815 84 1HB GLU 13 HB2 GLU 13 19.509 -6.499 -10.311 85 2HB GLU 13 HB1 GLU 13 21.054 -6.289 -9.498 86 1HG GLU 13 HG2 GLU 13 20.384 -7.452 -7.626 87 2HG GLU 13 HG1 GLU 13 18.671 -7.172 -7.937 88 H GLU 14 HN GLU 14 19.134 -2.423 -8.863 89 HA GLU 14 HA GLU 14 21.644 -1.815 -10.260 90 1HB GLU 14 HB2 GLU 14 18.985 -0.834 -10.691 91 2HB GLU 14 HB1 GLU 14 20.010 0.495 -10.171 92 1HG GLU 14 HG2 GLU 14 20.339 -1.270 -12.572 93 2HG GLU 14 HG1 GLU 14 20.099 0.473 -12.524 94 H LEU 15 HN LEU 15 22.516 0.389 -9.565 95 HA LEU 15 HA LEU 15 23.431 1.706 -7.960 96 1HB LEU 15 HB2 LEU 15 20.794 1.050 -6.776 97 2HB LEU 15 HB1 LEU 15 22.019 1.644 -5.674 98 HG LEU 15 HG LEU 15 20.706 3.506 -6.361 99 1HD1 LEU 15 HD11 LEU 15 22.346 4.974 -7.067 100 2HD1 LEU 15 HD12 LEU 15 23.128 3.771 -8.091 101 3HD1 LEU 15 HD13 LEU 15 23.267 3.657 -6.335 102 1HD2 LEU 15 HD21 LEU 15 21.252 2.638 -9.199 103 2HD2 LEU 15 HD22 LEU 15 20.444 4.133 -8.725 104 3HD2 LEU 15 HD23 LEU 15 19.702 2.577 -8.357 105 H ASN 16 HN ASN 16 22.789 -1.573 -7.483 106 HA ASN 16 HA ASN 16 23.863 -2.134 -5.006 107 1HB ASN 16 HB2 ASN 16 22.719 -3.787 -6.454 108 2HB ASN 16 HB1 ASN 16 24.110 -3.794 -7.527 109 1HD2 ASN 16 HD21 ASN 16 22.749 -4.969 -4.610 110 2HD2 ASN 16 HD22 ASN 16 24.060 -6.031 -4.183 111 H ARG 17 HN ARG 17 25.565 -1.963 -8.126 112 HA ARG 17 HA ARG 17 28.105 -2.315 -6.858 113 1HB ARG 17 HB2 ARG 17 28.497 -1.077 -9.364 114 2HB ARG 17 HB1 ARG 17 28.802 -2.741 -8.902 115 1HG ARG 17 HG2 ARG 17 27.396 -3.037 -10.696 116 2HG ARG 17 HG1 ARG 17 26.242 -3.044 -9.365 117 1HD ARG 17 HD2 ARG 17 25.605 -1.645 -11.370 118 2HD ARG 17 HD1 ARG 17 25.565 -0.822 -9.813 119 HE ARG 17 HE ARG 17 28.089 -0.445 -11.025 120 1HH1 ARG 17 HH11 ARG 17 24.732 0.530 -11.452 121 2HH1 ARG 17 HH12 ARG 17 25.150 2.072 -12.123 122 1HH2 ARG 17 HH21 ARG 17 28.613 1.567 -11.924 123 2HH2 ARG 17 HH22 ARG 17 27.350 2.663 -12.412 124 H TYR 18 HN TYR 18 26.040 0.229 -6.751 125 HA TYR 18 HA TYR 18 28.082 2.286 -7.021 126 1HB TYR 18 HB2 TYR 18 26.132 3.287 -7.682 127 2HB TYR 18 HB1 TYR 18 25.134 2.226 -6.706 128 HD1 TYR 18 HD1 TYR 18 27.369 5.207 -6.475 129 HD2 TYR 18 HD2 TYR 18 24.199 2.988 -4.724 130 HE1 TYR 18 HE1 TYR 18 26.957 7.045 -4.896 131 HE2 TYR 18 HE2 TYR 18 23.770 4.807 -3.146 132 HH TYR 18 HH TYR 18 25.364 7.911 -3.462 133 H TYR 19 HN TYR 19 26.103 0.663 -4.582 134 HA TYR 19 HA TYR 19 27.783 1.770 -2.500 135 1HB TYR 19 HB2 TYR 19 26.248 -0.180 -1.285 136 2HB TYR 19 HB1 TYR 19 25.931 1.543 -1.298 137 HD1 TYR 19 HD1 TYR 19 24.267 2.464 -2.880 138 HD2 TYR 19 HD2 TYR 19 24.869 -1.714 -2.433 139 HE1 TYR 19 HE1 TYR 19 22.034 2.046 -3.819 140 HE2 TYR 19 HE2 TYR 19 22.648 -2.147 -3.389 141 HH TYR 19 HH TYR 19 21.027 -1.037 -4.839 142 H ALA 20 HN ALA 20 28.052 -0.740 -4.645 143 HA ALA 20 HA ALA 20 29.500 -2.500 -2.838 144 1HB ALA 20 HB1 ALA 20 28.697 -2.605 -5.709 145 2HB ALA 20 HB2 ALA 20 28.407 -3.774 -4.420 146 3HB ALA 20 HB3 ALA 20 30.013 -3.631 -5.136 147 H SER 21 HN SER 21 30.147 -0.484 -5.689 148 HA SER 21 HA SER 21 32.962 -0.611 -5.471 149 1HB SER 21 HB2 SER 21 32.964 1.240 -7.045 150 2HB SER 21 HB1 SER 21 31.668 0.126 -7.512 151 HG SER 21 HG SER 21 30.233 1.593 -7.061 152 H LEU 22 HN LEU 22 30.439 1.422 -4.094 153 HA LEU 22 HA LEU 22 32.205 3.137 -2.648 154 1HB LEU 22 HB2 LEU 22 29.347 2.759 -2.889 155 2HB LEU 22 HB1 LEU 22 29.813 3.001 -1.217 156 HG LEU 22 HG LEU 22 30.451 5.177 -1.556 157 1HD1 LEU 22 HD11 LEU 22 31.979 4.322 -3.540 158 2HD1 LEU 22 HD12 LEU 22 31.592 6.031 -3.330 159 3HD1 LEU 22 HD13 LEU 22 30.707 5.064 -4.510 160 1HD2 LEU 22 HD21 LEU 22 28.793 5.508 -3.892 161 2HD2 LEU 22 HD22 LEU 22 28.530 6.044 -2.236 162 3HD2 LEU 22 HD23 LEU 22 28.056 4.415 -2.721 163 H ARG 23 HN ARG 23 30.765 -0.020 -2.024 164 HA ARG 23 HA ARG 23 31.439 -0.101 0.735 165 1HB ARG 23 HB2 ARG 23 29.843 -1.676 -0.336 166 2HB ARG 23 HB1 ARG 23 31.195 -2.441 -1.159 167 1HG ARG 23 HG2 ARG 23 31.242 -3.829 0.583 168 2HG ARG 23 HG1 ARG 23 32.007 -2.491 1.451 169 1HD ARG 23 HD2 ARG 23 29.978 -3.628 2.536 170 2HD ARG 23 HD1 ARG 23 30.013 -1.867 2.485 171 HE ARG 23 HE ARG 23 28.672 -2.652 0.213 172 1HH1 ARG 23 HH11 ARG 23 28.230 -3.079 3.671 173 2HH1 ARG 23 HH12 ARG 23 26.497 -3.148 3.551 174 1HH2 ARG 23 HH21 ARG 23 26.384 -2.747 0.080 175 2HH2 ARG 23 HH22 ARG 23 25.455 -2.955 1.542 176 H HIS 24 HN HIS 24 33.164 -1.140 -2.198 177 HA HIS 24 HA HIS 24 35.419 -2.178 -0.871 178 1HB HIS 24 HB2 HIS 24 34.679 -2.070 -3.475 179 2HB HIS 24 HB1 HIS 24 35.908 -0.808 -3.453 180 HD1 HIS 24 HD1 HIS 24 35.801 -4.041 -4.495 181 HD2 HIS 24 HD2 HIS 24 38.185 -2.185 -1.633 182 HE1 HIS 24 HE1 HIS 24 37.838 -5.498 -4.252 183 HE2 HIS 24 HE2 HIS 24 39.148 -4.469 -2.363 184 H TYR 25 HN TYR 25 34.668 1.054 -2.075 185 HA TYR 25 HA TYR 25 37.007 2.343 -1.199 186 1HB TYR 25 HB2 TYR 25 35.711 3.630 -2.637 187 2HB TYR 25 HB1 TYR 25 34.212 3.199 -1.825 188 HD1 TYR 25 HD1 TYR 25 33.171 4.854 -0.626 189 HD2 TYR 25 HD2 TYR 25 37.397 4.987 -1.054 190 HE1 TYR 25 HE1 TYR 25 33.215 6.988 0.584 191 HE2 TYR 25 HE2 TYR 25 37.460 7.111 0.168 192 HH TYR 25 HH TYR 25 36.159 8.415 1.681 193 H LEU 26 HN LEU 26 33.914 1.744 0.388 194 HA LEU 26 HA LEU 26 34.351 3.132 2.753 195 1HB LEU 26 HB2 LEU 26 32.358 1.543 1.702 196 2HB LEU 26 HB1 LEU 26 32.896 0.636 3.103 197 HG LEU 26 HG LEU 26 32.668 3.091 4.188 198 1HD1 LEU 26 HD11 LEU 26 30.126 3.353 2.993 199 2HD1 LEU 26 HD12 LEU 26 31.309 3.260 1.691 200 3HD1 LEU 26 HD13 LEU 26 31.476 4.486 2.947 201 1HD2 LEU 26 HD21 LEU 26 30.309 1.256 3.898 202 2HD2 LEU 26 HD22 LEU 26 30.724 2.288 5.263 203 3HD2 LEU 26 HD23 LEU 26 31.701 0.868 4.903 204 H ASN 27 HN ASN 27 34.613 -0.359 2.256 205 HA ASN 27 HA ASN 27 35.830 -1.117 4.577 206 1HB ASN 27 HB2 ASN 27 35.226 -2.392 2.259 207 2HB ASN 27 HB1 ASN 27 36.987 -2.383 2.173 208 1HD2 ASN 27 HD21 ASN 27 37.126 -4.606 2.443 209 2HD2 ASN 27 HD22 ASN 27 36.788 -5.375 3.963 210 H LEU 28 HN LEU 28 37.418 0.277 1.719 211 HA LEU 28 HA LEU 28 40.045 0.048 2.751 212 1HB LEU 28 HB2 LEU 28 39.792 0.479 0.394 213 2HB LEU 28 HB1 LEU 28 38.930 1.981 0.745 214 HG LEU 28 HG LEU 28 41.185 2.437 2.117 215 1HD1 LEU 28 HD11 LEU 28 43.104 1.751 0.754 216 2HD1 LEU 28 HD12 LEU 28 42.034 0.819 -0.294 217 3HD1 LEU 28 HD13 LEU 28 42.238 0.355 1.396 218 1HD2 LEU 28 HD21 LEU 28 39.936 3.705 0.213 219 2HD2 LEU 28 HD22 LEU 28 41.178 3.008 -0.828 220 3HD2 LEU 28 HD23 LEU 28 41.639 4.051 0.516 221 H VAL 29 HN VAL 29 37.853 2.766 2.541 222 HA VAL 29 HA VAL 29 39.652 4.651 3.493 223 HB VAL 29 HB VAL 29 37.653 5.192 2.159 224 1HG1 VAL 29 HG11 VAL 29 36.267 4.129 4.491 225 2HG1 VAL 29 HG12 VAL 29 35.728 4.303 2.817 226 3HG1 VAL 29 HG13 VAL 29 35.634 5.675 3.924 227 1HG2 VAL 29 HG21 VAL 29 38.468 7.159 2.892 228 2HG2 VAL 29 HG22 VAL 29 38.458 6.661 4.585 229 3HG2 VAL 29 HG23 VAL 29 36.962 7.187 3.811 230 H THR 30 HN THR 30 37.771 2.368 5.229 231 HA THR 30 HA THR 30 37.782 3.514 7.796 232 HB THR 30 HB THR 30 37.563 1.313 8.676 233 HG1 THR 30 HG1 THR 30 38.317 0.078 6.247 234 1HG2 THR 30 HG21 THR 30 35.673 2.022 7.306 235 2HG2 THR 30 HG22 THR 30 35.896 0.275 7.213 236 3HG2 THR 30 HG23 THR 30 36.432 1.307 5.882 237 H ARG 31 HN ARG 31 40.323 2.518 5.788 238 HA ARG 31 HA ARG 31 42.457 1.687 7.095 239 1HB ARG 31 HB2 ARG 31 42.190 2.805 4.747 240 2HB ARG 31 HB1 ARG 31 42.780 4.239 5.571 241 1HG ARG 31 HG2 ARG 31 44.822 3.104 6.169 242 2HG ARG 31 HG1 ARG 31 44.216 1.599 5.468 243 1HD ARG 31 HD2 ARG 31 44.078 2.717 3.273 244 2HD ARG 31 HD1 ARG 31 44.776 4.168 3.990 245 HE ARG 31 HE ARG 31 46.833 3.005 4.268 246 1HH1 ARG 31 HH11 ARG 31 44.417 1.216 2.471 247 2HH1 ARG 31 HH12 ARG 31 45.562 0.125 1.748 248 1HH2 ARG 31 HH21 ARG 31 48.351 1.576 3.339 249 2HH2 ARG 31 HH22 ARG 31 47.809 0.338 2.240 250 H GLN 32 HN GLN 32 41.668 5.137 7.028 251 HA GLN 32 HA GLN 32 42.850 5.406 9.708 252 1HB GLN 32 HB2 GLN 32 43.862 7.430 9.135 253 2HB GLN 32 HB1 GLN 32 44.140 6.422 7.726 254 1HG GLN 32 HG2 GLN 32 42.027 8.555 7.991 255 2HG GLN 32 HG1 GLN 32 43.537 8.688 7.091 256 1HE2 GLN 32 HE21 GLN 32 40.509 8.636 6.465 257 2HE2 GLN 32 HE22 GLN 32 40.416 7.578 5.097 258 H ARG 33 HN ARG 33 40.181 5.963 7.631 259 HA ARG 33 HA ARG 33 38.291 7.211 7.711 260 1HB ARG 33 HB2 ARG 33 38.598 5.849 10.238 261 2HB ARG 33 HB1 ARG 33 37.728 7.362 10.462 262 1HG ARG 33 HG2 ARG 33 36.258 6.603 8.518 263 2HG ARG 33 HG1 ARG 33 36.991 5.016 8.751 264 1HD ARG 33 HD2 ARG 33 35.339 6.593 10.713 265 2HD ARG 33 HD1 ARG 33 34.971 5.023 9.996 266 HE ARG 33 HE ARG 33 36.747 4.072 11.336 267 1HH1 ARG 33 HH11 ARG 33 35.645 7.277 12.236 268 2HH1 ARG 33 HH12 ARG 33 36.274 7.179 13.857 269 1HH2 ARG 33 HH21 ARG 33 37.609 3.952 13.459 270 2HH2 ARG 33 HH22 ARG 33 37.419 5.308 14.537 271 H TYR 34 HN TYR 34 38.481 8.471 10.832 272 HA TYR 34 HA TYR 34 40.214 10.682 10.296 273 1HB TYR 34 HB2 TYR 34 37.713 11.095 9.338 274 2HB TYR 34 HB1 TYR 34 37.505 11.659 10.994 275 HD1 TYR 34 HD1 TYR 34 38.894 12.392 7.743 276 HD2 TYR 34 HD2 TYR 34 38.981 13.493 11.851 277 HE1 TYR 34 HE1 TYR 34 39.960 14.522 7.140 278 HE2 TYR 34 HE2 TYR 34 40.050 15.628 11.260 279 HH TYR 34 HH TYR 34 40.580 16.546 7.867 280 1HN NH2 35 H1 NH2 35 40.469 10.851 13.761 281 2HN NH2 35 H2 NH2 35 41.158 11.146 12.201 Start of MODEL 17 1 1H ILE 1 HT1 ILE 1 31.488 12.772 -6.126 2 2H ILE 1 HT2 ILE 1 31.837 14.379 -5.715 3 3H ILE 1 HT3 ILE 1 30.291 13.744 -5.426 4 HA ILE 1 HA ILE 1 32.824 13.073 -4.055 5 HB ILE 1 HB ILE 1 30.422 13.524 -2.459 6 1HG1 ILE 1 HG12 ILE 1 31.443 16.126 -3.313 7 2HG1 ILE 1 HG11 ILE 1 30.638 15.252 -4.614 8 1HG2 ILE 1 HG21 ILE 1 32.622 15.308 -1.974 9 2HG2 ILE 1 HG22 ILE 1 33.190 13.652 -2.182 10 3HG2 ILE 1 HG23 ILE 1 31.974 14.021 -0.959 11 1HD1 ILE 1 HD11 ILE 1 29.525 16.251 -2.035 12 2HD1 ILE 1 HD12 ILE 1 28.761 14.893 -2.863 13 3HD1 ILE 1 HD13 ILE 1 28.916 16.452 -3.677 14 H LYS 2 HN LYS 2 29.350 12.310 -4.013 15 HA LYS 2 HA LYS 2 30.055 9.509 -3.443 16 1HB LYS 2 HB2 LYS 2 27.512 10.950 -2.644 17 2HB LYS 2 HB1 LYS 2 27.952 9.299 -2.234 18 1HG LYS 2 HG2 LYS 2 30.059 10.567 -1.192 19 2HG LYS 2 HG1 LYS 2 28.854 11.850 -1.056 20 1HD LYS 2 HD2 LYS 2 27.608 10.707 0.468 21 2HD LYS 2 HD1 LYS 2 28.049 9.130 -0.191 22 1HE LYS 2 HE2 LYS 2 29.730 8.901 1.257 23 2HE LYS 2 HE1 LYS 2 30.341 10.517 0.908 24 1HZ LYS 2 HZ1 LYS 2 28.287 11.194 2.372 25 2HZ LYS 2 HZ2 LYS 2 29.761 10.758 3.083 26 3HZ LYS 2 HZ3 LYS 2 28.491 9.635 3.006 27 HA PRO 3 HA PRO 3 28.146 8.440 -7.286 28 1HB PRO 3 HB2 PRO 3 26.961 6.108 -5.886 29 2HB PRO 3 HB1 PRO 3 28.028 6.154 -7.294 30 1HG PRO 3 HG2 PRO 3 28.928 5.373 -4.902 31 2HG PRO 3 HG1 PRO 3 29.941 6.322 -6.004 32 1HD PRO 3 HD2 PRO 3 28.453 7.203 -3.564 33 2HD PRO 3 HD1 PRO 3 30.055 7.695 -4.149 34 H GLU 4 HN GLU 4 25.874 7.085 -4.939 35 HA GLU 4 HA GLU 4 23.887 9.092 -5.274 36 1HB GLU 4 HB2 GLU 4 23.430 8.230 -7.409 37 2HB GLU 4 HB1 GLU 4 23.747 6.574 -6.912 38 1HG GLU 4 HG2 GLU 4 21.523 6.392 -6.926 39 2HG GLU 4 HG1 GLU 4 21.629 7.170 -5.348 40 H ALA 5 HN ALA 5 22.505 8.973 -3.561 41 HA ALA 5 HA ALA 5 22.433 6.429 -2.064 42 1HB ALA 5 HB1 ALA 5 22.168 9.195 -0.881 43 2HB ALA 5 HB2 ALA 5 23.660 8.251 -0.894 44 3HB ALA 5 HB3 ALA 5 22.252 7.665 -0.010 45 HA PRO 6 HA PRO 6 18.123 7.386 -3.215 46 1HB PRO 6 HB2 PRO 6 17.623 5.066 -4.526 47 2HB PRO 6 HB1 PRO 6 18.461 6.422 -5.283 48 1HG PRO 6 HG2 PRO 6 19.514 3.822 -4.454 49 2HG PRO 6 HG1 PRO 6 20.223 5.024 -5.543 50 1HD PRO 6 HD2 PRO 6 20.799 4.538 -2.739 51 2HD PRO 6 HD1 PRO 6 21.646 5.599 -3.880 52 H GLY 7 HN GLY 7 17.305 4.248 -3.409 53 1HA GLY 7 HA2 GLY 7 17.124 3.573 -0.603 54 2HA GLY 7 HA1 GLY 7 15.585 3.949 -1.372 55 H GLU 8 HN GLU 8 14.595 2.019 -1.634 56 HA GLU 8 HA GLU 8 16.130 -0.282 -2.537 57 1HB GLU 8 HB2 GLU 8 13.145 -0.106 -2.150 58 2HB GLU 8 HB1 GLU 8 14.128 -1.561 -2.226 59 1HG GLU 8 HG2 GLU 8 14.730 -1.426 -0.074 60 2HG GLU 8 HG1 GLU 8 14.876 0.331 -0.116 61 H ASP 9 HN ASP 9 15.987 1.961 -4.306 62 HA ASP 9 HA ASP 9 14.762 0.683 -6.618 63 1HB ASP 9 HB2 ASP 9 13.099 2.329 -5.816 64 2HB ASP 9 HB1 ASP 9 14.310 3.600 -5.949 65 H ALA 10 HN ALA 10 16.970 0.187 -7.019 66 HA ALA 10 HA ALA 10 18.111 2.336 -8.633 67 1HB ALA 10 HB1 ALA 10 19.850 0.387 -7.141 68 2HB ALA 10 HB2 ALA 10 19.456 1.989 -6.513 69 3HB ALA 10 HB3 ALA 10 20.347 1.829 -8.028 70 H SER 11 HN SER 11 16.817 1.373 -10.219 71 HA SER 11 HA SER 11 16.298 -0.054 -11.898 72 1HB SER 11 HB2 SER 11 19.160 -1.007 -11.624 73 2HB SER 11 HB1 SER 11 18.155 -1.053 -13.072 74 HG SER 11 HG SER 11 19.722 0.707 -12.937 75 HA PRO 12 HA PRO 12 15.488 -4.223 -10.389 76 1HB PRO 12 HB2 PRO 12 17.200 -5.538 -12.418 77 2HB PRO 12 HB1 PRO 12 15.492 -5.794 -12.046 78 1HG PRO 12 HG2 PRO 12 16.232 -4.495 -14.253 79 2HG PRO 12 HG1 PRO 12 14.806 -3.987 -13.327 80 1HD PRO 12 HD2 PRO 12 17.547 -2.789 -13.401 81 2HD PRO 12 HD1 PRO 12 15.965 -1.986 -13.338 82 H GLU 13 HN GLU 13 18.720 -3.070 -10.633 83 HA GLU 13 HA GLU 13 19.811 -4.496 -8.506 84 1HB GLU 13 HB2 GLU 13 19.597 -6.116 -10.891 85 2HB GLU 13 HB1 GLU 13 21.287 -5.882 -10.478 86 1HG GLU 13 HG2 GLU 13 19.437 -6.650 -8.299 87 2HG GLU 13 HG1 GLU 13 19.845 -7.869 -9.505 88 H GLU 14 HN GLU 14 20.103 -1.915 -9.408 89 HA GLU 14 HA GLU 14 22.952 -1.848 -10.136 90 1HB GLU 14 HB2 GLU 14 20.745 -0.097 -10.691 91 2HB GLU 14 HB1 GLU 14 21.947 0.780 -9.755 92 1HG GLU 14 HG2 GLU 14 22.827 1.193 -11.769 93 2HG GLU 14 HG1 GLU 14 23.538 -0.409 -11.566 94 H LEU 15 HN LEU 15 20.784 -1.730 -7.581 95 HA LEU 15 HA LEU 15 21.926 0.010 -5.732 96 1HB LEU 15 HB2 LEU 15 20.039 -2.200 -5.730 97 2HB LEU 15 HB1 LEU 15 20.991 -2.156 -4.262 98 HG LEU 15 HG LEU 15 19.338 0.102 -5.339 99 1HD1 LEU 15 HD11 LEU 15 18.816 -2.055 -3.373 100 2HD1 LEU 15 HD12 LEU 15 17.731 -1.313 -4.549 101 3HD1 LEU 15 HD13 LEU 15 18.141 -0.456 -3.063 102 1HD2 LEU 15 HD21 LEU 15 20.742 -0.108 -2.691 103 2HD2 LEU 15 HD22 LEU 15 19.811 1.263 -3.296 104 3HD2 LEU 15 HD23 LEU 15 21.334 0.821 -4.070 105 H ASN 16 HN ASN 16 22.322 -3.476 -6.037 106 HA ASN 16 HA ASN 16 24.138 -4.045 -4.124 107 1HB ASN 16 HB2 ASN 16 24.666 -6.006 -5.345 108 2HB ASN 16 HB1 ASN 16 23.015 -5.577 -5.831 109 1HD2 ASN 16 HD21 ASN 16 23.047 -3.899 -7.634 110 2HD2 ASN 16 HD22 ASN 16 24.029 -4.299 -8.982 111 H ARG 17 HN ARG 17 24.973 -2.547 -7.279 112 HA ARG 17 HA ARG 17 27.789 -2.724 -6.637 113 1HB ARG 17 HB2 ARG 17 26.493 -1.202 -8.885 114 2HB ARG 17 HB1 ARG 17 28.219 -1.467 -8.647 115 1HG ARG 17 HG2 ARG 17 27.897 -3.868 -8.940 116 2HG ARG 17 HG1 ARG 17 26.163 -3.618 -9.157 117 1HD ARG 17 HD2 ARG 17 27.001 -3.793 -11.333 118 2HD ARG 17 HD1 ARG 17 26.811 -2.058 -11.076 119 HE ARG 17 HE ARG 17 29.280 -2.098 -10.534 120 1HH1 ARG 17 HH11 ARG 17 27.803 -4.402 -12.735 121 2HH1 ARG 17 HH12 ARG 17 29.277 -4.678 -13.619 122 1HH2 ARG 17 HH21 ARG 17 31.195 -2.457 -11.682 123 2HH2 ARG 17 HH22 ARG 17 31.215 -3.564 -13.020 124 H TYR 18 HN TYR 18 25.227 -0.414 -6.250 125 HA TYR 18 HA TYR 18 26.918 1.782 -5.611 126 1HB TYR 18 HB2 TYR 18 24.836 2.696 -5.598 127 2HB TYR 18 HB1 TYR 18 24.067 1.134 -5.330 128 HD1 TYR 18 HD1 TYR 18 23.262 0.527 -3.193 129 HD2 TYR 18 HD2 TYR 18 25.729 3.968 -3.610 130 HE1 TYR 18 HE1 TYR 18 22.775 1.144 -0.869 131 HE2 TYR 18 HE2 TYR 18 25.249 4.602 -1.284 132 HH TYR 18 HH TYR 18 24.437 3.001 0.935 133 H TYR 19 HN TYR 19 25.535 -0.927 -3.908 134 HA TYR 19 HA TYR 19 26.617 -0.447 -1.350 135 1HB TYR 19 HB2 TYR 19 25.725 -2.967 -2.750 136 2HB TYR 19 HB1 TYR 19 26.238 -2.939 -1.071 137 HD1 TYR 19 HD1 TYR 19 23.454 -2.592 -3.319 138 HD2 TYR 19 HD2 TYR 19 24.955 -1.349 0.502 139 HE1 TYR 19 HE1 TYR 19 21.173 -2.106 -2.534 140 HE2 TYR 19 HE2 TYR 19 22.672 -0.855 1.247 141 HH TYR 19 HH TYR 19 20.241 -1.851 0.469 142 H ALA 20 HN ALA 20 27.878 -1.847 -4.221 143 HA ALA 20 HA ALA 20 30.053 -3.263 -2.977 144 1HB ALA 20 HB1 ALA 20 30.628 -3.826 -5.327 145 2HB ALA 20 HB2 ALA 20 29.280 -2.810 -5.855 146 3HB ALA 20 HB3 ALA 20 28.975 -4.253 -4.880 147 H SER 21 HN SER 21 29.696 -0.579 -5.249 148 HA SER 21 HA SER 21 32.422 0.140 -5.236 149 1HB SER 21 HB2 SER 21 29.921 1.083 -6.421 150 2HB SER 21 HB1 SER 21 30.998 2.417 -5.968 151 HG SER 21 HG SER 21 31.783 0.143 -7.486 152 H LEU 22 HN LEU 22 29.627 1.006 -3.287 153 HA LEU 22 HA LEU 22 30.976 2.947 -1.669 154 1HB LEU 22 HB2 LEU 22 28.426 2.369 -1.853 155 2HB LEU 22 HB1 LEU 22 28.796 1.188 -0.611 156 HG LEU 22 HG LEU 22 29.754 3.130 0.738 157 1HD1 LEU 22 HD11 LEU 22 30.025 4.821 -0.874 158 2HD1 LEU 22 HD12 LEU 22 28.657 5.331 0.118 159 3HD1 LEU 22 HD13 LEU 22 28.378 4.623 -1.473 160 1HD2 LEU 22 HD21 LEU 22 27.005 3.882 0.633 161 2HD2 LEU 22 HD22 LEU 22 27.848 2.914 1.842 162 3HD2 LEU 22 HD23 LEU 22 27.137 2.135 0.427 163 H ARG 23 HN ARG 23 30.589 -0.576 -1.583 164 HA ARG 23 HA ARG 23 31.882 -0.916 0.927 165 1HB ARG 23 HB2 ARG 23 30.564 -2.713 0.004 166 2HB ARG 23 HB1 ARG 23 31.620 -2.820 -1.400 167 1HG ARG 23 HG2 ARG 23 32.667 -4.443 -0.280 168 2HG ARG 23 HG1 ARG 23 33.367 -3.146 0.695 169 1HD ARG 23 HD2 ARG 23 32.091 -3.632 2.489 170 2HD ARG 23 HD1 ARG 23 30.678 -4.015 1.509 171 HE ARG 23 HE ARG 23 32.866 -5.857 2.202 172 1HH1 ARG 23 HH11 ARG 23 29.689 -5.274 0.866 173 2HH1 ARG 23 HH12 ARG 23 29.271 -6.955 0.758 174 1HH2 ARG 23 HH21 ARG 23 32.302 -8.090 2.108 175 2HH2 ARG 23 HH22 ARG 23 30.734 -8.554 1.513 176 H HIS 24 HN HIS 24 33.107 -0.767 -2.391 177 HA HIS 24 HA HIS 24 35.803 -1.309 -1.838 178 1HB HIS 24 HB2 HIS 24 34.741 -1.057 -4.125 179 2HB HIS 24 HB1 HIS 24 34.782 0.687 -3.879 180 HD1 HIS 24 HD1 HIS 24 37.162 -2.259 -4.123 181 HD2 HIS 24 HD2 HIS 24 37.125 1.874 -4.608 182 HE1 HIS 24 HE1 HIS 24 39.424 -1.662 -5.060 183 HE2 HIS 24 HE2 HIS 24 39.330 0.824 -5.480 184 H TYR 25 HN TYR 25 33.972 1.690 -1.815 185 HA TYR 25 HA TYR 25 35.996 3.429 -0.960 186 1HB TYR 25 HB2 TYR 25 34.081 4.476 -1.772 187 2HB TYR 25 HB1 TYR 25 33.004 3.428 -0.864 188 HD1 TYR 25 HD1 TYR 25 31.702 4.681 0.521 189 HD2 TYR 25 HD2 TYR 25 35.818 5.672 0.165 190 HE1 TYR 25 HE1 TYR 25 31.422 6.410 2.231 191 HE2 TYR 25 HE2 TYR 25 35.558 7.407 1.878 192 HH TYR 25 HH TYR 25 33.251 8.860 2.689 193 H LEU 26 HN LEU 26 33.598 1.567 0.893 194 HA LEU 26 HA LEU 26 34.336 2.385 3.453 195 1HB LEU 26 HB2 LEU 26 33.196 -0.233 2.485 196 2HB LEU 26 HB1 LEU 26 33.391 0.164 4.182 197 HG LEU 26 HG LEU 26 31.773 1.880 2.323 198 1HD1 LEU 26 HD11 LEU 26 31.168 -0.762 3.101 199 2HD1 LEU 26 HD12 LEU 26 30.124 0.405 2.288 200 3HD1 LEU 26 HD13 LEU 26 30.138 0.310 4.049 201 1HD2 LEU 26 HD21 LEU 26 32.571 2.788 4.516 202 2HD2 LEU 26 HD22 LEU 26 31.612 1.537 5.309 203 3HD2 LEU 26 HD23 LEU 26 30.820 2.762 4.319 204 H ASN 27 HN ASN 27 35.352 -0.496 1.652 205 HA ASN 27 HA ASN 27 37.159 -1.583 3.410 206 1HB ASN 27 HB2 ASN 27 36.426 -2.128 0.836 207 2HB ASN 27 HB1 ASN 27 38.094 -1.604 0.618 208 1HD2 ASN 27 HD21 ASN 27 38.309 -3.860 -0.087 209 2HD2 ASN 27 HD22 ASN 27 38.633 -5.066 1.120 210 H LEU 28 HN LEU 28 37.751 1.030 1.063 211 HA LEU 28 HA LEU 28 40.487 1.323 1.776 212 1HB LEU 28 HB2 LEU 28 39.809 2.293 -0.313 213 2HB LEU 28 HB1 LEU 28 38.587 3.270 0.507 214 HG LEU 28 HG LEU 28 40.817 4.029 1.848 215 1HD1 LEU 28 HD11 LEU 28 41.621 3.226 -0.925 216 2HD1 LEU 28 HD12 LEU 28 42.486 3.026 0.598 217 3HD1 LEU 28 HD13 LEU 28 42.385 4.617 -0.158 218 1HD2 LEU 28 HD21 LEU 28 39.698 5.872 1.231 219 2HD2 LEU 28 HD22 LEU 28 39.084 5.114 -0.241 220 3HD2 LEU 28 HD23 LEU 28 40.686 5.851 -0.231 221 H VAL 29 HN VAL 29 37.609 3.124 2.582 222 HA VAL 29 HA VAL 29 38.895 5.200 3.885 223 HB VAL 29 HB VAL 29 36.582 5.269 2.963 224 1HG1 VAL 29 HG11 VAL 29 35.000 4.695 5.154 225 2HG1 VAL 29 HG12 VAL 29 36.116 3.331 5.048 226 3HG1 VAL 29 HG13 VAL 29 35.118 3.769 3.655 227 1HG2 VAL 29 HG21 VAL 29 36.441 7.196 4.035 228 2HG2 VAL 29 HG22 VAL 29 37.665 6.633 5.173 229 3HG2 VAL 29 HG23 VAL 29 35.955 6.368 5.515 230 H THR 30 HN THR 30 38.222 2.051 5.065 231 HA THR 30 HA THR 30 38.422 2.457 7.828 232 HB THR 30 HB THR 30 39.199 0.217 8.017 233 HG1 THR 30 HG1 THR 30 39.753 -0.107 5.283 234 1HG2 THR 30 HG21 THR 30 36.924 0.390 7.157 235 2HG2 THR 30 HG22 THR 30 37.733 -1.034 6.498 236 3HG2 THR 30 HG23 THR 30 37.544 0.413 5.502 237 H ARG 31 HN ARG 31 40.666 3.056 5.332 238 HA ARG 31 HA ARG 31 43.164 2.682 6.334 239 1HB ARG 31 HB2 ARG 31 41.988 4.199 4.257 240 2HB ARG 31 HB1 ARG 31 43.128 5.247 5.092 241 1HG ARG 31 HG2 ARG 31 44.169 4.094 3.218 242 2HG ARG 31 HG1 ARG 31 44.903 3.621 4.752 243 1HD ARG 31 HD2 ARG 31 44.025 1.502 4.673 244 2HD ARG 31 HD1 ARG 31 42.647 1.997 3.691 245 HE ARG 31 HE ARG 31 44.034 1.930 1.767 246 1HH1 ARG 31 HH11 ARG 31 45.629 0.784 4.661 247 2HH1 ARG 31 HH12 ARG 31 46.858 -0.086 3.796 248 1HH2 ARG 31 HH21 ARG 31 45.660 0.812 0.623 249 2HH2 ARG 31 HH22 ARG 31 46.886 -0.064 1.507 250 H GLN 32 HN GLN 32 41.192 5.584 6.742 251 HA GLN 32 HA GLN 32 42.704 6.189 9.178 252 1HB GLN 32 HB2 GLN 32 42.834 8.497 8.658 253 2HB GLN 32 HB1 GLN 32 43.338 7.652 7.210 254 1HG GLN 32 HG2 GLN 32 40.834 9.204 7.715 255 2HG GLN 32 HG1 GLN 32 42.019 9.394 6.430 256 1HE2 GLN 32 HE21 GLN 32 39.021 8.244 7.236 257 2HE2 GLN 32 HE22 GLN 32 38.740 7.222 5.867 258 H ARG 33 HN ARG 33 40.434 4.709 9.104 259 HA ARG 33 HA ARG 33 37.925 5.362 9.182 260 1HB ARG 33 HB2 ARG 33 39.540 3.691 10.827 261 2HB ARG 33 HB1 ARG 33 38.317 4.443 11.843 262 1HG ARG 33 HG2 ARG 33 36.605 3.667 10.182 263 2HG ARG 33 HG1 ARG 33 37.887 2.730 9.412 264 1HD ARG 33 HD2 ARG 33 37.641 1.113 10.914 265 2HD ARG 33 HD1 ARG 33 37.955 2.251 12.222 266 HE ARG 33 HE ARG 33 35.336 1.428 11.204 267 1HH1 ARG 33 HH11 ARG 33 37.246 3.220 13.535 268 2HH1 ARG 33 HH12 ARG 33 35.886 3.590 14.549 269 1HH2 ARG 33 HH21 ARG 33 33.540 1.917 12.559 270 2HH2 ARG 33 HH22 ARG 33 33.792 2.870 13.998 271 H TYR 34 HN TYR 34 37.261 7.462 9.337 272 HA TYR 34 HA TYR 34 37.382 8.676 12.002 273 1HB TYR 34 HB2 TYR 34 38.623 9.662 9.585 274 2HB TYR 34 HB1 TYR 34 37.423 10.808 10.175 275 HD1 TYR 34 HD1 TYR 34 40.249 8.721 11.446 276 HD2 TYR 34 HD2 TYR 34 38.089 12.370 11.755 277 HE1 TYR 34 HE1 TYR 34 41.860 9.525 13.119 278 HE2 TYR 34 HE2 TYR 34 39.694 13.185 13.429 279 HH TYR 34 HH TYR 34 41.388 11.716 15.203 280 1HN NH2 35 H1 NH2 35 34.007 8.452 10.024 281 2HN NH2 35 H2 NH2 35 35.355 7.373 9.927 Start of MODEL 18 1 1H ILE 1 HT1 ILE 1 32.816 13.826 -2.905 2 2H ILE 1 HT2 ILE 1 32.268 12.261 -3.275 3 3H ILE 1 HT3 ILE 1 33.158 12.534 -1.860 4 HA ILE 1 HA ILE 1 31.392 13.972 -1.021 5 HB ILE 1 HB ILE 1 29.224 13.019 -2.612 6 1HG1 ILE 1 HG12 ILE 1 30.650 14.826 -4.413 7 2HG1 ILE 1 HG11 ILE 1 31.456 13.271 -4.232 8 1HG2 ILE 1 HG21 ILE 1 28.575 15.264 -2.629 9 2HG2 ILE 1 HG22 ILE 1 30.239 15.842 -2.544 10 3HG2 ILE 1 HG23 ILE 1 29.493 15.086 -1.134 11 1HD1 ILE 1 HD11 ILE 1 29.226 13.923 -5.828 12 2HD1 ILE 1 HD12 ILE 1 28.684 12.797 -4.581 13 3HD1 ILE 1 HD13 ILE 1 30.024 12.361 -5.641 14 H LYS 2 HN LYS 2 29.747 11.345 -2.668 15 HA LYS 2 HA LYS 2 30.149 9.351 -0.691 16 1HB LYS 2 HB2 LYS 2 28.496 11.287 0.235 17 2HB LYS 2 HB1 LYS 2 27.329 10.276 -0.602 18 1HG LYS 2 HG2 LYS 2 27.283 9.442 1.550 19 2HG LYS 2 HG1 LYS 2 28.392 8.340 0.734 20 1HD LYS 2 HD2 LYS 2 29.712 8.769 2.506 21 2HD LYS 2 HD1 LYS 2 30.124 10.223 1.593 22 1HE LYS 2 HE2 LYS 2 28.672 11.563 2.865 23 2HE LYS 2 HE1 LYS 2 27.822 10.166 3.525 24 1HZ LYS 2 HZ1 LYS 2 29.268 11.094 5.184 25 2HZ LYS 2 HZ2 LYS 2 30.601 11.003 4.142 26 3HZ LYS 2 HZ3 LYS 2 29.879 9.576 4.714 27 HA PRO 3 HA PRO 3 28.478 6.968 -4.091 28 1HB PRO 3 HB2 PRO 3 27.459 5.114 -2.018 29 2HB PRO 3 HB1 PRO 3 28.539 4.795 -3.376 30 1HG PRO 3 HG2 PRO 3 29.458 4.869 -0.872 31 2HG PRO 3 HG1 PRO 3 30.417 5.507 -2.221 32 1HD PRO 3 HD2 PRO 3 28.810 6.977 -0.170 33 2HD PRO 3 HD1 PRO 3 30.388 7.389 -0.874 34 H GLU 4 HN GLU 4 26.627 7.925 -1.333 35 HA GLU 4 HA GLU 4 24.550 8.764 -1.107 36 1HB GLU 4 HB2 GLU 4 24.071 9.980 -2.913 37 2HB GLU 4 HB1 GLU 4 24.992 8.907 -3.949 38 1HG GLU 4 HG2 GLU 4 23.144 8.095 -4.856 39 2HG GLU 4 HG1 GLU 4 22.452 7.732 -3.273 40 H ALA 5 HN ALA 5 22.357 8.035 -0.840 41 HA ALA 5 HA ALA 5 22.224 5.096 -0.978 42 1HB ALA 5 HB1 ALA 5 22.002 5.317 1.245 43 2HB ALA 5 HB2 ALA 5 20.345 5.797 0.877 44 3HB ALA 5 HB3 ALA 5 21.586 7.025 1.129 45 HA PRO 6 HA PRO 6 18.839 6.195 -3.815 46 1HB PRO 6 HB2 PRO 6 19.192 3.433 -4.710 47 2HB PRO 6 HB1 PRO 6 19.339 4.927 -5.638 48 1HG PRO 6 HG2 PRO 6 21.475 3.393 -5.023 49 2HG PRO 6 HG1 PRO 6 21.581 5.160 -5.155 50 1HD PRO 6 HD2 PRO 6 21.398 3.449 -2.702 51 2HD PRO 6 HD1 PRO 6 22.407 4.882 -3.005 52 H GLY 7 HN GLY 7 19.335 3.660 -1.582 53 1HA GLY 7 HA2 GLY 7 17.787 2.911 0.006 54 2HA GLY 7 HA1 GLY 7 16.496 3.598 -0.969 55 H GLU 8 HN GLU 8 15.587 1.406 -0.305 56 HA GLU 8 HA GLU 8 16.553 -0.856 -1.813 57 1HB GLU 8 HB2 GLU 8 13.935 -0.540 -0.337 58 2HB GLU 8 HB1 GLU 8 14.651 -2.050 -0.879 59 1HG GLU 8 HG2 GLU 8 15.431 -2.190 1.203 60 2HG GLU 8 HG1 GLU 8 16.646 -1.030 0.662 61 H ASP 9 HN ASP 9 16.174 1.158 -3.525 62 HA ASP 9 HA ASP 9 14.155 0.162 -5.329 63 1HB ASP 9 HB2 ASP 9 12.982 1.862 -3.824 64 2HB ASP 9 HB1 ASP 9 14.047 3.077 -4.522 65 H ALA 10 HN ALA 10 16.469 -0.266 -6.066 66 HA ALA 10 HA ALA 10 17.466 2.035 -7.601 67 1HB ALA 10 HB1 ALA 10 18.856 1.514 -5.557 68 2HB ALA 10 HB2 ALA 10 19.719 1.504 -7.097 69 3HB ALA 10 HB3 ALA 10 19.256 -0.018 -6.337 70 H SER 11 HN SER 11 15.989 1.011 -9.141 71 HA SER 11 HA SER 11 15.668 -0.090 -11.095 72 1HB SER 11 HB2 SER 11 18.699 -0.190 -10.990 73 2HB SER 11 HB1 SER 11 17.728 -0.467 -12.432 74 HG SER 11 HG SER 11 18.540 1.862 -11.356 75 HA PRO 12 HA PRO 12 15.945 -4.651 -10.938 76 1HB PRO 12 HB2 PRO 12 18.490 -4.708 -12.515 77 2HB PRO 12 HB1 PRO 12 17.049 -5.722 -12.666 78 1HG PRO 12 HG2 PRO 12 17.480 -3.740 -14.372 79 2HG PRO 12 HG1 PRO 12 15.846 -4.085 -13.773 80 1HD PRO 12 HD2 PRO 12 17.692 -1.863 -13.067 81 2HD PRO 12 HD1 PRO 12 15.921 -1.885 -13.117 82 H GLU 13 HN GLU 13 18.985 -2.884 -10.305 83 HA GLU 13 HA GLU 13 19.717 -4.396 -8.060 84 1HB GLU 13 HB2 GLU 13 20.364 -5.652 -10.617 85 2HB GLU 13 HB1 GLU 13 21.771 -5.438 -9.586 86 1HG GLU 13 HG2 GLU 13 19.958 -6.437 -7.823 87 2HG GLU 13 HG1 GLU 13 19.491 -7.252 -9.314 88 H GLU 14 HN GLU 14 19.922 -1.667 -9.308 89 HA GLU 14 HA GLU 14 22.707 -1.060 -9.453 90 1HB GLU 14 HB2 GLU 14 20.197 0.430 -9.451 91 2HB GLU 14 HB1 GLU 14 21.448 1.242 -8.523 92 1HG GLU 14 HG2 GLU 14 22.687 1.715 -10.348 93 2HG GLU 14 HG1 GLU 14 22.243 0.225 -11.179 94 H LEU 15 HN LEU 15 20.470 -1.751 -6.988 95 HA LEU 15 HA LEU 15 21.587 -0.609 -4.714 96 1HB LEU 15 HB2 LEU 15 19.771 -2.799 -5.335 97 2HB LEU 15 HB1 LEU 15 20.759 -3.148 -3.928 98 HG LEU 15 HG LEU 15 19.762 -0.493 -3.664 99 1HD1 LEU 15 HD11 LEU 15 17.384 -0.849 -3.690 100 2HD1 LEU 15 HD12 LEU 15 17.602 -2.536 -4.163 101 3HD1 LEU 15 HD13 LEU 15 18.038 -1.241 -5.280 102 1HD2 LEU 15 HD21 LEU 15 20.232 -2.724 -2.109 103 2HD2 LEU 15 HD22 LEU 15 18.480 -2.528 -2.036 104 3HD2 LEU 15 HD23 LEU 15 19.536 -1.198 -1.561 105 H ASN 16 HN ASN 16 22.520 -3.485 -6.527 106 HA ASN 16 HA ASN 16 24.286 -4.536 -4.598 107 1HB ASN 16 HB2 ASN 16 23.397 -5.338 -7.096 108 2HB ASN 16 HB1 ASN 16 25.118 -5.050 -7.341 109 1HD2 ASN 16 HD21 ASN 16 22.777 -7.146 -6.147 110 2HD2 ASN 16 HD22 ASN 16 23.835 -8.284 -5.383 111 H ARG 17 HN ARG 17 24.772 -2.243 -7.263 112 HA ARG 17 HA ARG 17 27.579 -2.009 -6.641 113 1HB ARG 17 HB2 ARG 17 25.988 -0.122 -8.354 114 2HB ARG 17 HB1 ARG 17 27.732 -0.352 -8.315 115 1HG ARG 17 HG2 ARG 17 26.651 -2.868 -8.898 116 2HG ARG 17 HG1 ARG 17 25.748 -1.715 -9.884 117 1HD ARG 17 HD2 ARG 17 27.726 -0.898 -10.897 118 2HD ARG 17 HD1 ARG 17 28.753 -1.730 -9.732 119 HE ARG 17 HE ARG 17 27.817 -3.846 -10.792 120 1HH1 ARG 17 HH11 ARG 17 28.132 -0.835 -12.553 121 2HH1 ARG 17 HH12 ARG 17 28.363 -1.605 -14.091 122 1HH2 ARG 17 HH21 ARG 17 28.102 -4.868 -12.802 123 2HH2 ARG 17 HH22 ARG 17 28.343 -3.909 -14.234 124 H TYR 18 HN TYR 18 24.734 -0.739 -5.344 125 HA TYR 18 HA TYR 18 25.976 1.652 -4.317 126 1HB TYR 18 HB2 TYR 18 23.702 2.000 -4.326 127 2HB TYR 18 HB1 TYR 18 23.334 0.302 -4.063 128 HD1 TYR 18 HD1 TYR 18 22.194 -0.127 -2.136 129 HD2 TYR 18 HD2 TYR 18 25.032 3.039 -2.129 130 HE1 TYR 18 HE1 TYR 18 21.661 0.336 0.209 131 HE2 TYR 18 HE2 TYR 18 24.510 3.516 0.226 132 HH TYR 18 HH TYR 18 23.485 1.949 2.241 133 H TYR 19 HN TYR 19 25.245 -1.634 -3.350 134 HA TYR 19 HA TYR 19 26.479 -1.610 -0.810 135 1HB TYR 19 HB2 TYR 19 26.150 -3.862 -2.798 136 2HB TYR 19 HB1 TYR 19 26.662 -4.070 -1.133 137 HD1 TYR 19 HD1 TYR 19 24.700 -5.759 -1.465 138 HD2 TYR 19 HD2 TYR 19 24.174 -1.533 -1.219 139 HE1 TYR 19 HE1 TYR 19 22.369 -6.095 -0.790 140 HE2 TYR 19 HE2 TYR 19 21.834 -1.872 -0.535 141 HH TYR 19 HH TYR 19 20.605 -4.232 0.723 142 H ALA 20 HN ALA 20 27.667 -1.788 -4.032 143 HA ALA 20 HA ALA 20 30.220 -2.939 -3.334 144 1HB ALA 20 HB1 ALA 20 29.130 -1.992 -5.974 145 2HB ALA 20 HB2 ALA 20 29.063 -3.646 -5.356 146 3HB ALA 20 HB3 ALA 20 30.620 -2.911 -5.737 147 H SER 21 HN SER 21 28.983 0.081 -4.727 148 HA SER 21 HA SER 21 31.494 1.381 -4.757 149 1HB SER 21 HB2 SER 21 28.909 1.960 -5.653 150 2HB SER 21 HB1 SER 21 29.243 3.195 -4.429 151 HG SER 21 HG SER 21 30.146 4.062 -6.179 152 H LEU 22 HN LEU 22 28.938 0.988 -2.396 153 HA LEU 22 HA LEU 22 30.075 2.665 -0.386 154 1HB LEU 22 HB2 LEU 22 27.718 1.411 -0.593 155 2HB LEU 22 HB1 LEU 22 28.560 0.217 0.373 156 HG LEU 22 HG LEU 22 28.944 1.839 2.128 157 1HD1 LEU 22 HD11 LEU 22 29.277 3.871 0.995 158 2HD1 LEU 22 HD12 LEU 22 27.789 4.085 1.915 159 3HD1 LEU 22 HD13 LEU 22 27.714 3.766 0.185 160 1HD2 LEU 22 HD21 LEU 22 26.235 2.533 2.050 161 2HD2 LEU 22 HD22 LEU 22 26.967 1.154 2.862 162 3HD2 LEU 22 HD23 LEU 22 26.362 0.990 1.215 163 H ARG 23 HN ARG 23 30.447 -0.715 -1.352 164 HA ARG 23 HA ARG 23 32.071 -1.409 0.900 165 1HB ARG 23 HB2 ARG 23 30.911 -3.152 -0.250 166 2HB ARG 23 HB1 ARG 23 31.714 -2.756 -1.764 167 1HG ARG 23 HG2 ARG 23 33.113 -4.413 -1.206 168 2HG ARG 23 HG1 ARG 23 33.840 -3.206 -0.133 169 1HD ARG 23 HD2 ARG 23 33.133 -4.268 1.704 170 2HD ARG 23 HD1 ARG 23 31.524 -4.544 1.034 171 HE ARG 23 HE ARG 23 33.882 -6.260 0.543 172 1HH1 ARG 23 HH11 ARG 23 30.411 -5.785 0.808 173 2HH1 ARG 23 HH12 ARG 23 30.043 -7.472 0.579 174 1HH2 ARG 23 HH21 ARG 23 33.396 -8.456 0.192 175 2HH2 ARG 23 HH22 ARG 23 31.734 -8.984 0.184 176 H HIS 24 HN HIS 24 32.839 -0.304 -2.380 177 HA HIS 24 HA HIS 24 35.665 -0.639 -2.029 178 1HB HIS 24 HB2 HIS 24 34.143 -0.194 -4.218 179 2HB HIS 24 HB1 HIS 24 34.693 1.451 -3.908 180 HD1 HIS 24 HD1 HIS 24 36.776 1.997 -5.131 181 HD2 HIS 24 HD2 HIS 24 36.563 -2.040 -4.174 182 HE1 HIS 24 HE1 HIS 24 38.870 0.970 -6.074 183 HE2 HIS 24 HE2 HIS 24 38.746 -1.471 -5.444 184 H TYR 25 HN TYR 25 33.341 1.929 -1.475 185 HA TYR 25 HA TYR 25 35.127 3.922 -0.631 186 1HB TYR 25 HB2 TYR 25 32.905 4.629 -0.906 187 2HB TYR 25 HB1 TYR 25 32.263 3.268 0.007 188 HD1 TYR 25 HD1 TYR 25 31.211 3.932 1.922 189 HD2 TYR 25 HD2 TYR 25 34.744 5.966 0.718 190 HE1 TYR 25 HE1 TYR 25 31.085 5.319 3.939 191 HE2 TYR 25 HE2 TYR 25 34.641 7.363 2.729 192 HH TYR 25 HH TYR 25 33.622 7.166 5.072 193 H LEU 26 HN LEU 26 33.418 1.399 1.206 194 HA LEU 26 HA LEU 26 34.604 1.790 3.677 195 1HB LEU 26 HB2 LEU 26 33.664 -0.736 2.341 196 2HB LEU 26 HB1 LEU 26 34.221 -0.693 4.002 197 HG LEU 26 HG LEU 26 31.879 0.892 2.942 198 1HD1 LEU 26 HD11 LEU 26 31.423 -1.503 2.901 199 2HD1 LEU 26 HD12 LEU 26 30.493 -0.696 4.165 200 3HD1 LEU 26 HD13 LEU 26 31.926 -1.631 4.588 201 1HD2 LEU 26 HD21 LEU 26 31.686 0.608 5.690 202 2HD2 LEU 26 HD22 LEU 26 32.142 2.070 4.812 203 3HD2 LEU 26 HD23 LEU 26 33.390 0.973 5.409 204 H ASN 27 HN ASN 27 35.565 -0.464 1.147 205 HA ASN 27 HA ASN 27 37.861 -1.552 2.023 206 1HB ASN 27 HB2 ASN 27 36.617 -1.486 -0.353 207 2HB ASN 27 HB1 ASN 27 37.991 -0.452 -0.731 208 1HD2 ASN 27 HD21 ASN 27 40.097 -1.487 0.351 209 2HD2 ASN 27 HD22 ASN 27 40.356 -3.130 -0.109 210 H LEU 28 HN LEU 28 37.620 1.712 0.585 211 HA LEU 28 HA LEU 28 40.416 2.219 1.015 212 1HB LEU 28 HB2 LEU 28 39.405 3.470 -0.754 213 2HB LEU 28 HB1 LEU 28 38.153 4.072 0.342 214 HG LEU 28 HG LEU 28 40.405 4.827 1.658 215 1HD1 LEU 28 HD11 LEU 28 40.984 5.461 -1.240 216 2HD1 LEU 28 HD12 LEU 28 41.689 4.070 -0.414 217 3HD1 LEU 28 HD13 LEU 28 42.015 5.699 0.171 218 1HD2 LEU 28 HD21 LEU 28 38.933 6.451 -0.444 219 2HD2 LEU 28 HD22 LEU 28 39.855 7.085 0.922 220 3HD2 LEU 28 HD23 LEU 28 38.375 6.164 1.205 221 H VAL 29 HN VAL 29 37.449 3.391 2.437 222 HA VAL 29 HA VAL 29 38.595 5.414 3.942 223 HB VAL 29 HB VAL 29 36.168 5.137 3.297 224 1HG1 VAL 29 HG11 VAL 29 36.369 2.985 5.196 225 2HG1 VAL 29 HG12 VAL 29 35.081 3.370 4.051 226 3HG1 VAL 29 HG13 VAL 29 35.100 4.124 5.648 227 1HG2 VAL 29 HG21 VAL 29 35.859 6.907 4.579 228 2HG2 VAL 29 HG22 VAL 29 37.373 6.531 5.404 229 3HG2 VAL 29 HG23 VAL 29 35.844 5.911 6.031 230 H THR 30 HN THR 30 38.532 2.071 4.578 231 HA THR 30 HA THR 30 38.940 2.072 7.377 232 HB THR 30 HB THR 30 39.915 -0.152 7.021 233 HG1 THR 30 HG1 THR 30 39.557 -0.200 4.301 234 1HG2 THR 30 HG21 THR 30 37.483 0.091 6.945 235 2HG2 THR 30 HG22 THR 30 38.022 -1.171 5.833 236 3HG2 THR 30 HG23 THR 30 37.574 0.422 5.214 237 H ARG 31 HN ARG 31 40.802 3.340 4.896 238 HA ARG 31 HA ARG 31 43.420 2.775 5.469 239 1HB ARG 31 HB2 ARG 31 42.149 4.462 3.747 240 2HB ARG 31 HB1 ARG 31 42.964 5.594 4.821 241 1HG ARG 31 HG2 ARG 31 44.833 5.277 3.690 242 2HG ARG 31 HG1 ARG 31 44.839 3.589 4.204 243 1HD ARG 31 HD2 ARG 31 43.606 4.746 1.713 244 2HD ARG 31 HD1 ARG 31 44.976 3.644 1.817 245 HE ARG 31 HE ARG 31 42.244 2.857 2.624 246 1HH1 ARG 31 HH11 ARG 31 45.264 2.228 0.956 247 2HH1 ARG 31 HH12 ARG 31 44.777 0.654 0.395 248 1HH2 ARG 31 HH21 ARG 31 41.615 0.762 1.908 249 2HH2 ARG 31 HH22 ARG 31 42.713 -0.183 0.946 250 H GLN 32 HN GLN 32 41.920 5.842 6.458 251 HA GLN 32 HA GLN 32 43.709 5.970 8.739 252 1HB GLN 32 HB2 GLN 32 43.085 8.232 8.959 253 2HB GLN 32 HB1 GLN 32 43.160 7.953 7.226 254 1HG GLN 32 HG2 GLN 32 40.615 7.922 8.841 255 2HG GLN 32 HG1 GLN 32 41.229 9.325 7.971 256 1HE2 GLN 32 HE21 GLN 32 38.721 7.950 7.597 257 2HE2 GLN 32 HE22 GLN 32 38.708 7.393 5.961 258 H ARG 33 HN ARG 33 40.371 5.371 8.001 259 HA ARG 33 HA ARG 33 38.553 4.802 9.224 260 1HB ARG 33 HB2 ARG 33 40.735 3.196 10.036 261 2HB ARG 33 HB1 ARG 33 39.802 3.570 11.480 262 1HG ARG 33 HG2 ARG 33 37.909 2.926 9.542 263 2HG ARG 33 HG1 ARG 33 39.210 1.754 9.328 264 1HD ARG 33 HD2 ARG 33 37.394 1.100 10.951 265 2HD ARG 33 HD1 ARG 33 39.045 1.016 11.562 266 HE ARG 33 HE ARG 33 38.624 2.906 12.901 267 1HH1 ARG 33 HH11 ARG 33 35.799 1.922 11.069 268 2HH1 ARG 33 HH12 ARG 33 34.679 2.733 12.127 269 1HH2 ARG 33 HH21 ARG 33 37.159 3.950 14.299 270 2HH2 ARG 33 HH22 ARG 33 35.453 3.875 13.972 271 H TYR 34 HN TYR 34 38.116 7.030 9.724 272 HA TYR 34 HA TYR 34 38.430 7.606 12.593 273 1HB TYR 34 HB2 TYR 34 39.663 9.033 10.545 274 2HB TYR 34 HB1 TYR 34 38.251 10.003 10.949 275 HD1 TYR 34 HD1 TYR 34 39.738 7.961 13.560 276 HD2 TYR 34 HD2 TYR 34 39.767 11.802 11.727 277 HE1 TYR 34 HE1 TYR 34 40.921 8.875 15.513 278 HE2 TYR 34 HE2 TYR 34 40.950 12.730 13.675 279 HH TYR 34 HH TYR 34 41.771 10.686 16.485 280 1HN NH2 35 H1 NH2 35 35.127 8.854 10.489 281 2HN NH2 35 H2 NH2 35 36.657 8.747 9.698 Start of MODEL 19 1 1H ILE 1 HT1 ILE 1 31.501 14.188 -2.393 2 2H ILE 1 HT2 ILE 1 31.853 12.795 -3.294 3 3H ILE 1 HT3 ILE 1 33.108 13.691 -2.596 4 HA ILE 1 HA ILE 1 32.265 11.515 -1.490 5 HB ILE 1 HB ILE 1 32.421 13.161 0.778 6 1HG1 ILE 1 HG12 ILE 1 34.678 14.085 -0.887 7 2HG1 ILE 1 HG11 ILE 1 33.120 14.814 -1.259 8 1HG2 ILE 1 HG21 ILE 1 34.526 12.141 1.100 9 2HG2 ILE 1 HG22 ILE 1 34.748 11.885 -0.633 10 3HG2 ILE 1 HG23 ILE 1 33.527 10.965 0.247 11 1HD1 ILE 1 HD11 ILE 1 34.901 15.574 0.726 12 2HD1 ILE 1 HD12 ILE 1 33.588 14.767 1.581 13 3HD1 ILE 1 HD13 ILE 1 33.240 16.129 0.518 14 H LYS 2 HN LYS 2 31.029 11.083 0.571 15 HA LYS 2 HA LYS 2 29.108 10.910 1.745 16 1HB LYS 2 HB2 LYS 2 29.504 13.630 1.576 17 2HB LYS 2 HB1 LYS 2 27.862 13.437 0.982 18 1HG LYS 2 HG2 LYS 2 27.578 11.947 3.102 19 2HG LYS 2 HG1 LYS 2 28.984 12.841 3.678 20 1HD LYS 2 HD2 LYS 2 27.451 14.328 4.401 21 2HD LYS 2 HD1 LYS 2 27.429 14.854 2.716 22 1HE LYS 2 HE2 LYS 2 25.690 12.645 2.902 23 2HE LYS 2 HE1 LYS 2 25.327 13.690 4.276 24 1HZ LYS 2 HZ1 LYS 2 24.153 14.913 2.868 25 2HZ LYS 2 HZ2 LYS 2 24.723 14.063 1.520 26 3HZ LYS 2 HZ3 LYS 2 25.604 15.383 2.128 27 HA PRO 3 HA PRO 3 26.597 9.728 -1.841 28 1HB PRO 3 HB2 PRO 3 26.134 7.215 -1.064 29 2HB PRO 3 HB1 PRO 3 27.687 7.688 -1.764 30 1HG PRO 3 HG2 PRO 3 26.953 7.258 1.101 31 2HG PRO 3 HG1 PRO 3 28.425 6.780 0.237 32 1HD PRO 3 HD2 PRO 3 28.202 9.019 1.837 33 2HD PRO 3 HD1 PRO 3 29.403 8.819 0.546 34 H GLU 4 HN GLU 4 24.383 9.600 -2.020 35 HA GLU 4 HA GLU 4 22.847 9.707 0.483 36 1HB GLU 4 HB2 GLU 4 21.776 10.520 -2.208 37 2HB GLU 4 HB1 GLU 4 21.203 10.988 -0.613 38 1HG GLU 4 HG2 GLU 4 23.909 11.806 -1.606 39 2HG GLU 4 HG1 GLU 4 22.462 12.725 -2.007 40 H ALA 5 HN ALA 5 20.768 8.607 0.499 41 HA ALA 5 HA ALA 5 21.042 5.952 -0.514 42 1HB ALA 5 HB1 ALA 5 18.728 7.271 0.899 43 2HB ALA 5 HB2 ALA 5 20.044 6.381 1.665 44 3HB ALA 5 HB3 ALA 5 18.904 5.540 0.613 45 HA PRO 6 HA PRO 6 18.677 6.511 -4.244 46 1HB PRO 6 HB2 PRO 6 18.309 3.683 -4.492 47 2HB PRO 6 HB1 PRO 6 19.483 4.698 -5.328 48 1HG PRO 6 HG2 PRO 6 20.112 2.771 -3.453 49 2HG PRO 6 HG1 PRO 6 21.155 4.134 -3.897 50 1HD PRO 6 HD2 PRO 6 19.359 3.806 -1.531 51 2HD PRO 6 HD1 PRO 6 20.958 4.578 -1.641 52 H GLY 7 HN GLY 7 17.348 3.494 -3.197 53 1HA GLY 7 HA2 GLY 7 15.063 4.356 -1.852 54 2HA GLY 7 HA1 GLY 7 14.677 4.285 -3.567 55 H GLU 8 HN GLU 8 13.132 2.658 -2.526 56 HA GLU 8 HA GLU 8 14.369 0.079 -1.971 57 1HB GLU 8 HB2 GLU 8 11.511 1.043 -1.862 58 2HB GLU 8 HB1 GLU 8 11.969 -0.632 -1.587 59 1HG GLU 8 HG2 GLU 8 11.802 0.240 0.550 60 2HG GLU 8 HG1 GLU 8 13.532 0.305 0.222 61 H ASP 9 HN ASP 9 13.633 1.729 -4.643 62 HA ASP 9 HA ASP 9 13.056 -0.708 -6.182 63 1HB ASP 9 HB2 ASP 9 11.082 0.813 -6.126 64 2HB ASP 9 HB1 ASP 9 12.072 2.076 -6.851 65 H ALA 10 HN ALA 10 15.475 -0.652 -6.066 66 HA ALA 10 HA ALA 10 16.634 1.144 -8.079 67 1HB ALA 10 HB1 ALA 10 18.656 -0.456 -6.954 68 2HB ALA 10 HB2 ALA 10 17.624 0.050 -5.615 69 3HB ALA 10 HB3 ALA 10 18.360 1.262 -6.666 70 H SER 11 HN SER 11 15.023 -0.451 -9.292 71 HA SER 11 HA SER 11 14.758 -2.116 -10.815 72 1HB SER 11 HB2 SER 11 17.758 -2.254 -11.059 73 2HB SER 11 HB1 SER 11 16.541 -2.368 -12.327 74 HG SER 11 HG SER 11 16.141 -0.023 -11.362 75 HA PRO 12 HA PRO 12 15.838 -6.256 -9.102 76 1HB PRO 12 HB2 PRO 12 18.113 -6.669 -10.988 77 2HB PRO 12 HB1 PRO 12 16.799 -7.768 -10.551 78 1HG PRO 12 HG2 PRO 12 16.771 -6.507 -12.887 79 2HG PRO 12 HG1 PRO 12 15.278 -6.721 -11.953 80 1HD PRO 12 HD2 PRO 12 16.955 -4.276 -12.308 81 2HD PRO 12 HD1 PRO 12 15.192 -4.429 -12.169 82 H GLU 13 HN GLU 13 18.458 -4.012 -9.805 83 HA GLU 13 HA GLU 13 19.734 -4.014 -7.379 84 1HB GLU 13 HB2 GLU 13 20.151 -6.531 -8.575 85 2HB GLU 13 HB1 GLU 13 21.656 -5.647 -8.799 86 1HG GLU 13 HG2 GLU 13 22.038 -5.468 -6.534 87 2HG GLU 13 HG1 GLU 13 20.342 -5.703 -6.121 88 H GLU 14 HN GLU 14 19.281 -2.098 -9.167 89 HA GLU 14 HA GLU 14 21.811 -1.488 -10.440 90 1HB GLU 14 HB2 GLU 14 19.339 -0.680 -11.079 91 2HB GLU 14 HB1 GLU 14 19.756 0.623 -9.973 92 1HG GLU 14 HG2 GLU 14 20.290 0.615 -12.628 93 2HG GLU 14 HG1 GLU 14 21.151 1.582 -11.431 94 H LEU 15 HN LEU 15 22.881 0.588 -9.833 95 HA LEU 15 HA LEU 15 24.041 1.835 -8.329 96 1HB LEU 15 HB2 LEU 15 21.629 1.257 -6.643 97 2HB LEU 15 HB1 LEU 15 23.020 2.086 -5.977 98 HG LEU 15 HG LEU 15 20.849 3.130 -7.506 99 1HD1 LEU 15 HD11 LEU 15 21.256 4.591 -5.890 100 2HD1 LEU 15 HD12 LEU 15 22.568 5.201 -6.898 101 3HD1 LEU 15 HD13 LEU 15 22.897 3.988 -5.658 102 1HD2 LEU 15 HD21 LEU 15 23.534 3.272 -8.798 103 2HD2 LEU 15 HD22 LEU 15 22.467 4.672 -8.879 104 3HD2 LEU 15 HD23 LEU 15 21.940 3.122 -9.534 105 H ASN 16 HN ASN 16 23.529 -1.382 -8.158 106 HA ASN 16 HA ASN 16 24.586 -2.278 -5.787 107 1HB ASN 16 HB2 ASN 16 23.759 -3.558 -7.927 108 2HB ASN 16 HB1 ASN 16 25.476 -3.570 -8.332 109 1HD2 ASN 16 HD21 ASN 16 23.313 -4.213 -5.597 110 2HD2 ASN 16 HD22 ASN 16 24.169 -5.608 -5.037 111 H ARG 17 HN ARG 17 26.367 -1.103 -8.639 112 HA ARG 17 HA ARG 17 28.892 -1.563 -7.335 113 1HB ARG 17 HB2 ARG 17 29.867 -0.266 -9.192 114 2HB ARG 17 HB1 ARG 17 28.964 -1.700 -9.680 115 1HG ARG 17 HG2 ARG 17 27.338 -0.491 -10.717 116 2HG ARG 17 HG1 ARG 17 27.494 0.873 -9.604 117 1HD ARG 17 HD2 ARG 17 29.578 0.158 -11.643 118 2HD ARG 17 HD1 ARG 17 28.262 1.282 -11.970 119 HE ARG 17 HE ARG 17 30.655 1.828 -10.549 120 1HH1 ARG 17 HH11 ARG 17 27.230 2.617 -10.519 121 2HH1 ARG 17 HH12 ARG 17 27.480 4.182 -9.797 122 1HH2 ARG 17 HH21 ARG 17 30.974 3.862 -9.632 123 2HH2 ARG 17 HH22 ARG 17 29.611 4.905 -9.328 124 H TYR 18 HN TYR 18 26.605 1.000 -7.313 125 HA TYR 18 HA TYR 18 28.478 2.964 -6.384 126 1HB TYR 18 HB2 TYR 18 26.677 4.220 -6.897 127 2HB TYR 18 HB1 TYR 18 25.606 2.827 -6.858 128 HD1 TYR 18 HD1 TYR 18 27.043 5.572 -4.855 129 HD2 TYR 18 HD2 TYR 18 24.284 2.338 -4.922 130 HE1 TYR 18 HE1 TYR 18 26.007 6.417 -2.788 131 HE2 TYR 18 HE2 TYR 18 23.237 3.163 -2.870 132 HH TYR 18 HH TYR 18 23.437 6.086 -1.739 133 H TYR 19 HN TYR 19 26.397 0.521 -5.024 134 HA TYR 19 HA TYR 19 27.006 0.983 -2.275 135 1HB TYR 19 HB2 TYR 19 25.776 -1.245 -3.868 136 2HB TYR 19 HB1 TYR 19 26.194 -1.511 -2.181 137 HD1 TYR 19 HD1 TYR 19 24.991 -0.346 -0.417 138 HD2 TYR 19 HD2 TYR 19 23.928 0.168 -4.501 139 HE1 TYR 19 HE1 TYR 19 22.829 0.596 0.275 140 HE2 TYR 19 HE2 TYR 19 21.763 1.111 -3.827 141 HH TYR 19 HH TYR 19 20.236 0.851 -1.617 142 H ALA 20 HN ALA 20 28.507 -0.673 -4.868 143 HA ALA 20 HA ALA 20 30.178 -2.372 -3.247 144 1HB ALA 20 HB1 ALA 20 31.023 -3.170 -5.408 145 2HB ALA 20 HB2 ALA 20 30.059 -1.935 -6.224 146 3HB ALA 20 HB3 ALA 20 29.261 -3.225 -5.321 147 H SER 21 HN SER 21 30.559 0.383 -5.438 148 HA SER 21 HA SER 21 33.336 0.686 -4.956 149 1HB SER 21 HB2 SER 21 31.501 1.780 -6.720 150 2HB SER 21 HB1 SER 21 31.876 3.139 -5.646 151 HG SER 21 HG SER 21 33.983 3.044 -6.229 152 H LEU 22 HN LEU 22 30.384 1.819 -3.454 153 HA LEU 22 HA LEU 22 31.542 3.484 -1.461 154 1HB LEU 22 HB2 LEU 22 28.970 2.402 -2.058 155 2HB LEU 22 HB1 LEU 22 29.342 2.004 -0.392 156 HG LEU 22 HG LEU 22 29.294 4.775 -1.587 157 1HD1 LEU 22 HD11 LEU 22 27.342 3.112 -0.113 158 2HD1 LEU 22 HD12 LEU 22 27.081 4.364 -1.326 159 3HD1 LEU 22 HD13 LEU 22 27.448 4.815 0.341 160 1HD2 LEU 22 HD21 LEU 22 30.959 4.751 0.116 161 2HD2 LEU 22 HD22 LEU 22 29.935 3.803 1.192 162 3HD2 LEU 22 HD23 LEU 22 29.511 5.472 0.815 163 H ARG 23 HN ARG 23 30.878 0.003 -1.698 164 HA ARG 23 HA ARG 23 31.823 -0.469 0.967 165 1HB ARG 23 HB2 ARG 23 30.254 -1.926 -0.626 166 2HB ARG 23 HB1 ARG 23 31.796 -2.731 -0.928 167 1HG ARG 23 HG2 ARG 23 31.670 -2.301 1.839 168 2HG ARG 23 HG1 ARG 23 30.085 -2.929 1.359 169 1HD ARG 23 HD2 ARG 23 30.925 -4.962 0.810 170 2HD ARG 23 HD1 ARG 23 32.447 -4.289 0.222 171 HE ARG 23 HE ARG 23 33.318 -4.382 2.375 172 1HH1 ARG 23 HH11 ARG 23 29.956 -5.398 2.340 173 2HH1 ARG 23 HH12 ARG 23 29.994 -5.986 3.981 174 1HH2 ARG 23 HH21 ARG 23 33.343 -5.118 4.551 175 2HH2 ARG 23 HH22 ARG 23 31.906 -5.830 5.225 176 H HIS 24 HN HIS 24 33.370 -0.364 -2.148 177 HA HIS 24 HA HIS 24 35.781 -1.606 -1.295 178 1HB HIS 24 HB2 HIS 24 34.897 -0.832 -3.718 179 2HB HIS 24 HB1 HIS 24 35.937 0.538 -3.341 180 HD1 HIS 24 HD1 HIS 24 38.381 0.229 -3.771 181 HD2 HIS 24 HD2 HIS 24 36.334 -3.387 -3.583 182 HE1 HIS 24 HE1 HIS 24 40.061 -1.537 -4.399 183 HE2 HIS 24 HE2 HIS 24 38.845 -3.730 -4.114 184 H TYR 25 HN TYR 25 34.525 1.663 -1.311 185 HA TYR 25 HA TYR 25 36.761 2.931 -0.176 186 1HB TYR 25 HB2 TYR 25 35.260 4.482 -0.949 187 2HB TYR 25 HB1 TYR 25 33.864 3.540 -0.447 188 HD1 TYR 25 HD1 TYR 25 32.556 4.535 1.119 189 HD2 TYR 25 HD2 TYR 25 36.747 5.241 1.240 190 HE1 TYR 25 HE1 TYR 25 32.245 5.990 3.061 191 HE2 TYR 25 HE2 TYR 25 36.455 6.691 3.194 192 HH TYR 25 HH TYR 25 33.391 6.967 4.850 193 H LEU 26 HN LEU 26 33.893 1.423 1.306 194 HA LEU 26 HA LEU 26 34.599 1.877 3.982 195 1HB LEU 26 HB2 LEU 26 33.006 -0.359 2.730 196 2HB LEU 26 HB1 LEU 26 33.147 -0.119 4.461 197 HG LEU 26 HG LEU 26 32.070 2.020 2.640 198 1HD1 LEU 26 HD11 LEU 26 30.606 0.219 2.241 199 2HD1 LEU 26 HD12 LEU 26 29.815 1.219 3.458 200 3HD1 LEU 26 HD13 LEU 26 30.621 -0.274 3.936 201 1HD2 LEU 26 HD21 LEU 26 32.445 3.075 4.618 202 2HD2 LEU 26 HD22 LEU 26 32.316 1.593 5.563 203 3HD2 LEU 26 HD23 LEU 26 30.858 2.396 4.980 204 H ASN 27 HN ASN 27 35.028 -1.070 2.050 205 HA ASN 27 HA ASN 27 36.655 -2.522 3.737 206 1HB ASN 27 HB2 ASN 27 35.961 -2.562 0.939 207 2HB ASN 27 HB1 ASN 27 37.662 -2.969 1.141 208 1HD2 ASN 27 HD21 ASN 27 38.120 -4.989 1.558 209 2HD2 ASN 27 HD22 ASN 27 37.032 -6.176 2.189 210 H LEU 28 HN LEU 28 37.534 0.279 1.810 211 HA LEU 28 HA LEU 28 40.364 -0.116 2.230 212 1HB LEU 28 HB2 LEU 28 39.598 1.088 0.235 213 2HB LEU 28 HB1 LEU 28 38.897 2.330 1.279 214 HG LEU 28 HG LEU 28 41.409 2.307 2.225 215 1HD1 LEU 28 HD11 LEU 28 41.751 0.668 0.112 216 2HD1 LEU 28 HD12 LEU 28 43.012 1.737 0.730 217 3HD1 LEU 28 HD13 LEU 28 42.047 2.224 -0.663 218 1HD2 LEU 28 HD21 LEU 28 41.510 4.095 0.068 219 2HD2 LEU 28 HD22 LEU 28 40.980 4.431 1.716 220 3HD2 LEU 28 HD23 LEU 28 39.805 3.960 0.489 221 H VAL 29 HN VAL 29 38.052 2.289 3.215 222 HA VAL 29 HA VAL 29 39.695 3.853 4.749 223 HB VAL 29 HB VAL 29 37.474 4.548 3.997 224 1HG1 VAL 29 HG11 VAL 29 35.722 3.244 4.325 225 2HG1 VAL 29 HG12 VAL 29 35.768 3.680 6.037 226 3HG1 VAL 29 HG13 VAL 29 36.620 2.238 5.469 227 1HG2 VAL 29 HG21 VAL 29 37.574 4.794 6.988 228 2HG2 VAL 29 HG22 VAL 29 36.934 5.941 5.813 229 3HG2 VAL 29 HG23 VAL 29 38.671 5.665 5.917 230 H THR 30 HN THR 30 38.139 0.861 5.630 231 HA THR 30 HA THR 30 38.629 1.039 8.435 232 HB THR 30 HB THR 30 36.991 -0.528 7.409 233 HG1 THR 30 HG1 THR 30 37.245 -1.895 9.028 234 1HG2 THR 30 HG21 THR 30 39.454 -2.006 6.508 235 2HG2 THR 30 HG22 THR 30 38.242 -1.237 5.477 236 3HG2 THR 30 HG23 THR 30 37.809 -2.641 6.456 237 H ARG 31 HN ARG 31 40.765 1.242 6.073 238 HA ARG 31 HA ARG 31 42.841 -0.507 6.416 239 1HB ARG 31 HB2 ARG 31 42.479 1.827 5.038 240 2HB ARG 31 HB1 ARG 31 43.704 2.290 6.214 241 1HG ARG 31 HG2 ARG 31 45.247 0.726 5.398 242 2HG ARG 31 HG1 ARG 31 44.000 -0.172 4.524 243 1HD ARG 31 HD2 ARG 31 43.737 1.623 2.946 244 2HD ARG 31 HD1 ARG 31 44.828 2.652 3.873 245 HE ARG 31 HE ARG 31 45.604 0.305 2.274 246 1HH1 ARG 31 HH11 ARG 31 46.443 3.255 3.967 247 2HH1 ARG 31 HH12 ARG 31 48.107 3.224 3.452 248 1HH2 ARG 31 HH21 ARG 31 47.779 0.267 1.593 249 2HH2 ARG 31 HH22 ARG 31 48.874 1.508 2.129 250 H GLN 32 HN GLN 32 42.302 2.532 8.146 251 HA GLN 32 HA GLN 32 44.355 1.802 10.107 252 1HB GLN 32 HB2 GLN 32 43.247 4.354 10.689 253 2HB GLN 32 HB1 GLN 32 44.852 3.980 10.084 254 1HG GLN 32 HG2 GLN 32 44.197 5.341 8.417 255 2HG GLN 32 HG1 GLN 32 43.516 3.844 7.785 256 1HE2 GLN 32 HE21 GLN 32 41.708 4.581 10.437 257 2HE2 GLN 32 HE22 GLN 32 40.453 5.496 9.677 258 H ARG 33 HN ARG 33 40.949 2.502 9.766 259 HA ARG 33 HA ARG 33 39.156 2.319 11.128 260 1HB ARG 33 HB2 ARG 33 41.021 0.268 12.124 261 2HB ARG 33 HB1 ARG 33 39.788 0.766 13.272 262 1HG ARG 33 HG2 ARG 33 38.051 0.002 11.928 263 2HG ARG 33 HG1 ARG 33 39.059 -0.025 10.478 264 1HD ARG 33 HD2 ARG 33 38.459 -2.193 12.064 265 2HD ARG 33 HD1 ARG 33 39.779 -2.101 10.897 266 HE ARG 33 HE ARG 33 41.267 -1.557 12.703 267 1HH1 ARG 33 HH11 ARG 33 38.112 -2.737 13.662 268 2HH1 ARG 33 HH12 ARG 33 38.585 -3.044 15.306 269 1HH2 ARG 33 HH21 ARG 33 41.896 -1.962 14.849 270 2HH2 ARG 33 HH22 ARG 33 40.742 -2.607 15.985 271 H TYR 34 HN TYR 34 38.895 2.147 13.871 272 HA TYR 34 HA TYR 34 40.304 4.533 14.845 273 1HB TYR 34 HB2 TYR 34 37.557 4.038 15.860 274 2HB TYR 34 HB1 TYR 34 38.368 5.561 15.504 275 HD1 TYR 34 HD1 TYR 34 38.438 6.411 13.170 276 HD2 TYR 34 HD2 TYR 34 36.196 2.950 14.228 277 HE1 TYR 34 HE1 TYR 34 37.199 6.571 11.056 278 HE2 TYR 34 HE2 TYR 34 34.952 3.100 12.113 279 HH TYR 34 HH TYR 34 34.375 5.030 10.446 280 1HN NH2 35 H1 NH2 35 41.267 2.413 17.467 281 2HN NH2 35 H2 NH2 35 41.754 3.405 16.135 Start of MODEL 20 1 1H ILE 1 HT1 ILE 1 31.823 14.998 -1.298 2 2H ILE 1 HT2 ILE 1 31.888 14.078 -2.719 3 3H ILE 1 HT3 ILE 1 33.281 14.862 -2.156 4 HA ILE 1 HA ILE 1 32.883 12.320 -1.748 5 HB ILE 1 HB ILE 1 34.059 12.757 0.598 6 1HG1 ILE 1 HG12 ILE 1 35.017 15.251 -0.656 7 2HG1 ILE 1 HG11 ILE 1 33.386 15.333 0.006 8 1HG2 ILE 1 HG21 ILE 1 34.896 12.455 -2.093 9 2HG2 ILE 1 HG22 ILE 1 35.747 11.998 -0.617 10 3HG2 ILE 1 HG23 ILE 1 35.981 13.602 -1.310 11 1HD1 ILE 1 HD11 ILE 1 35.344 15.993 1.506 12 2HD1 ILE 1 HD12 ILE 1 35.664 14.262 1.621 13 3HD1 ILE 1 HD13 ILE 1 34.118 14.910 2.169 14 H LYS 2 HN LYS 2 30.308 12.745 -1.526 15 HA LYS 2 HA LYS 2 29.620 11.552 0.978 16 1HB LYS 2 HB2 LYS 2 29.525 14.397 0.859 17 2HB LYS 2 HB1 LYS 2 27.870 13.808 0.870 18 1HG LYS 2 HG2 LYS 2 29.639 12.528 2.824 19 2HG LYS 2 HG1 LYS 2 29.365 14.252 3.078 20 1HD LYS 2 HD2 LYS 2 26.979 13.915 3.110 21 2HD LYS 2 HD1 LYS 2 27.176 12.213 2.688 22 1HE LYS 2 HE2 LYS 2 26.772 12.276 5.018 23 2HE LYS 2 HE1 LYS 2 28.496 11.961 4.822 24 1HZ LYS 2 HZ1 LYS 2 27.847 13.679 6.535 25 2HZ LYS 2 HZ2 LYS 2 27.433 14.693 5.242 26 3HZ LYS 2 HZ3 LYS 2 29.029 14.152 5.415 27 HA PRO 3 HA PRO 3 26.775 10.352 -2.373 28 1HB PRO 3 HB2 PRO 3 26.429 7.816 -1.514 29 2HB PRO 3 HB1 PRO 3 27.847 8.308 -2.444 30 1HG PRO 3 HG2 PRO 3 27.563 7.919 0.511 31 2HG PRO 3 HG1 PRO 3 28.882 7.419 -0.567 32 1HD PRO 3 HD2 PRO 3 29.002 9.645 0.996 33 2HD PRO 3 HD1 PRO 3 29.848 9.500 -0.556 34 H GLU 4 HN GLU 4 24.526 9.902 -2.336 35 HA GLU 4 HA GLU 4 23.287 10.172 0.320 36 1HB GLU 4 HB2 GLU 4 22.924 11.728 -2.101 37 2HB GLU 4 HB1 GLU 4 21.404 11.033 -1.552 38 1HG GLU 4 HG2 GLU 4 23.260 12.806 0.019 39 2HG GLU 4 HG1 GLU 4 21.662 13.216 -0.603 40 H ALA 5 HN ALA 5 20.901 9.453 0.213 41 HA ALA 5 HA ALA 5 20.974 6.665 -0.461 42 1HB ALA 5 HB1 ALA 5 18.394 7.777 0.357 43 2HB ALA 5 HB2 ALA 5 19.721 8.113 1.467 44 3HB ALA 5 HB3 ALA 5 19.329 6.447 1.042 45 HA PRO 6 HA PRO 6 19.125 7.009 -4.474 46 1HB PRO 6 HB2 PRO 6 18.508 4.161 -4.230 47 2HB PRO 6 HB1 PRO 6 19.617 4.971 -5.337 48 1HG PRO 6 HG2 PRO 6 20.492 3.414 -3.319 49 2HG PRO 6 HG1 PRO 6 21.389 4.845 -3.864 50 1HD PRO 6 HD2 PRO 6 19.573 4.534 -1.496 51 2HD PRO 6 HD1 PRO 6 21.147 5.353 -1.606 52 H GLY 7 HN GLY 7 17.332 4.317 -3.174 53 1HA GLY 7 HA2 GLY 7 14.938 5.873 -2.728 54 2HA GLY 7 HA1 GLY 7 14.890 4.890 -4.183 55 H GLU 8 HN GLU 8 13.037 3.946 -3.057 56 HA GLU 8 HA GLU 8 13.563 2.309 -0.725 57 1HB GLU 8 HB2 GLU 8 11.118 2.929 -2.363 58 2HB GLU 8 HB1 GLU 8 11.100 1.654 -1.152 59 1HG GLU 8 HG2 GLU 8 12.092 4.330 -0.351 60 2HG GLU 8 HG1 GLU 8 10.359 4.116 -0.595 61 H ASP 9 HN ASP 9 13.876 1.943 -4.015 62 HA ASP 9 HA ASP 9 14.376 -0.815 -3.889 63 1HB ASP 9 HB2 ASP 9 12.481 -1.774 -4.629 64 2HB ASP 9 HB1 ASP 9 11.675 -0.258 -4.264 65 H ALA 10 HN ALA 10 16.148 -0.717 -4.906 66 HA ALA 10 HA ALA 10 16.475 1.003 -7.238 67 1HB ALA 10 HB1 ALA 10 18.242 1.330 -5.753 68 2HB ALA 10 HB2 ALA 10 18.917 0.248 -6.971 69 3HB ALA 10 HB3 ALA 10 18.398 -0.393 -5.412 70 H SER 11 HN SER 11 14.824 -0.895 -7.989 71 HA SER 11 HA SER 11 14.476 -2.481 -9.585 72 1HB SER 11 HB2 SER 11 17.321 -2.112 -10.502 73 2HB SER 11 HB1 SER 11 15.871 -2.360 -11.470 74 HG SER 11 HG SER 11 15.610 -0.103 -10.030 75 HA PRO 12 HA PRO 12 16.583 -6.363 -8.408 76 1HB PRO 12 HB2 PRO 12 17.607 -7.490 -10.669 77 2HB PRO 12 HB1 PRO 12 15.891 -7.546 -10.247 78 1HG PRO 12 HG2 PRO 12 17.319 -5.709 -12.128 79 2HG PRO 12 HG1 PRO 12 15.765 -6.538 -12.338 80 1HD PRO 12 HD2 PRO 12 15.919 -3.941 -11.643 81 2HD PRO 12 HD1 PRO 12 14.629 -5.002 -11.043 82 H GLU 13 HN GLU 13 18.091 -4.347 -7.695 83 HA GLU 13 HA GLU 13 20.168 -4.085 -6.803 84 1HB GLU 13 HB2 GLU 13 20.680 -6.547 -8.416 85 2HB GLU 13 HB1 GLU 13 22.061 -5.620 -7.850 86 1HG GLU 13 HG2 GLU 13 20.680 -5.792 -5.562 87 2HG GLU 13 HG1 GLU 13 20.130 -7.268 -6.349 88 H GLU 14 HN GLU 14 19.235 -2.424 -8.715 89 HA GLU 14 HA GLU 14 21.527 -1.726 -10.340 90 1HB GLU 14 HB2 GLU 14 19.083 -1.210 -10.948 91 2HB GLU 14 HB1 GLU 14 19.153 0.028 -9.707 92 1HG GLU 14 HG2 GLU 14 19.578 0.650 -12.183 93 2HG GLU 14 HG1 GLU 14 20.580 1.358 -10.919 94 H LEU 15 HN LEU 15 22.570 0.428 -9.943 95 HA LEU 15 HA LEU 15 23.848 1.758 -8.593 96 1HB LEU 15 HB2 LEU 15 21.550 1.240 -6.731 97 2HB LEU 15 HB1 LEU 15 22.983 2.082 -6.168 98 HG LEU 15 HG LEU 15 22.202 3.308 -8.577 99 1HD1 LEU 15 HD11 LEU 15 19.899 3.920 -7.045 100 2HD1 LEU 15 HD12 LEU 15 19.966 2.173 -7.272 101 3HD1 LEU 15 HD13 LEU 15 19.995 3.244 -8.673 102 1HD2 LEU 15 HD21 LEU 15 21.929 5.263 -7.160 103 2HD2 LEU 15 HD22 LEU 15 23.379 4.357 -6.717 104 3HD2 LEU 15 HD23 LEU 15 21.922 4.231 -5.729 105 H ASN 16 HN ASN 16 23.550 -1.400 -8.431 106 HA ASN 16 HA ASN 16 24.513 -2.340 -6.050 107 1HB ASN 16 HB2 ASN 16 23.873 -3.569 -8.289 108 2HB ASN 16 HB1 ASN 16 25.618 -3.542 -8.544 109 1HD2 ASN 16 HD21 ASN 16 23.535 -4.003 -5.713 110 2HD2 ASN 16 HD22 ASN 16 24.240 -5.499 -5.221 111 H ARG 17 HN ARG 17 26.492 -1.152 -8.787 112 HA ARG 17 HA ARG 17 28.879 -1.658 -7.262 113 1HB ARG 17 HB2 ARG 17 30.084 -0.517 -9.072 114 2HB ARG 17 HB1 ARG 17 29.126 -1.895 -9.604 115 1HG ARG 17 HG2 ARG 17 28.398 -0.517 -11.210 116 2HG ARG 17 HG1 ARG 17 27.382 0.183 -9.951 117 1HD ARG 17 HD2 ARG 17 28.417 2.126 -10.230 118 2HD ARG 17 HD1 ARG 17 29.922 1.377 -9.702 119 HE ARG 17 HE ARG 17 29.123 1.994 -12.417 120 1HH1 ARG 17 HH11 ARG 17 31.325 0.196 -10.360 121 2HH1 ARG 17 HH12 ARG 17 32.532 0.029 -11.591 122 1HH2 ARG 17 HH21 ARG 17 30.722 1.813 -14.021 123 2HH2 ARG 17 HH22 ARG 17 32.196 0.945 -13.674 124 H TYR 18 HN TYR 18 26.676 0.957 -7.446 125 HA TYR 18 HA TYR 18 28.550 2.918 -6.520 126 1HB TYR 18 HB2 TYR 18 26.761 4.160 -7.146 127 2HB TYR 18 HB1 TYR 18 25.672 2.786 -7.038 128 HD1 TYR 18 HD1 TYR 18 27.101 5.643 -5.211 129 HD2 TYR 18 HD2 TYR 18 24.368 2.397 -5.080 130 HE1 TYR 18 HE1 TYR 18 26.047 6.618 -3.212 131 HE2 TYR 18 HE2 TYR 18 23.311 3.344 -3.092 132 HH TYR 18 HH TYR 18 23.661 6.449 -2.101 133 H TYR 19 HN TYR 19 26.347 0.586 -5.150 134 HA TYR 19 HA TYR 19 26.896 1.117 -2.405 135 1HB TYR 19 HB2 TYR 19 25.614 -1.105 -3.956 136 2HB TYR 19 HB1 TYR 19 25.973 -1.333 -2.251 137 HD1 TYR 19 HD1 TYR 19 24.846 0.070 -0.563 138 HD2 TYR 19 HD2 TYR 19 23.802 0.243 -4.681 139 HE1 TYR 19 HE1 TYR 19 22.703 1.116 0.038 140 HE2 TYR 19 HE2 TYR 19 21.648 1.286 -4.097 141 HH TYR 19 HH TYR 19 20.775 1.913 -0.689 142 H ALA 20 HN ALA 20 28.401 -0.711 -4.875 143 HA ALA 20 HA ALA 20 29.861 -2.470 -3.111 144 1HB ALA 20 HB1 ALA 20 30.636 -3.509 -5.177 145 2HB ALA 20 HB2 ALA 20 29.860 -2.225 -6.112 146 3HB ALA 20 HB3 ALA 20 28.879 -3.344 -5.161 147 H SER 21 HN SER 21 30.496 0.145 -5.410 148 HA SER 21 HA SER 21 33.292 0.206 -4.868 149 1HB SER 21 HB2 SER 21 31.394 1.652 -6.537 150 2HB SER 21 HB1 SER 21 32.549 2.750 -5.769 151 HG SER 21 HG SER 21 33.965 2.068 -7.155 152 H LEU 22 HN LEU 22 30.404 1.641 -3.503 153 HA LEU 22 HA LEU 22 31.687 3.291 -1.566 154 1HB LEU 22 HB2 LEU 22 29.035 2.461 -2.170 155 2HB LEU 22 HB1 LEU 22 29.331 2.054 -0.492 156 HG LEU 22 HG LEU 22 29.714 4.807 -1.669 157 1HD1 LEU 22 HD11 LEU 22 27.542 5.196 -1.390 158 2HD1 LEU 22 HD12 LEU 22 27.591 4.559 0.254 159 3HD1 LEU 22 HD13 LEU 22 27.321 3.469 -1.105 160 1HD2 LEU 22 HD21 LEU 22 30.246 5.545 0.437 161 2HD2 LEU 22 HD22 LEU 22 30.965 3.935 0.476 162 3HD2 LEU 22 HD23 LEU 22 29.399 4.220 1.234 163 H ARG 23 HN ARG 23 30.703 -0.120 -1.662 164 HA ARG 23 HA ARG 23 31.540 -0.672 1.005 165 1HB ARG 23 HB2 ARG 23 29.950 -2.113 -0.112 166 2HB ARG 23 HB1 ARG 23 31.149 -2.547 -1.323 167 1HG ARG 23 HG2 ARG 23 32.336 -3.094 1.161 168 2HG ARG 23 HG1 ARG 23 30.677 -3.700 1.267 169 1HD ARG 23 HD2 ARG 23 31.047 -5.340 -0.252 170 2HD ARG 23 HD1 ARG 23 32.088 -4.318 -1.243 171 HE ARG 23 HE ARG 23 33.906 -4.812 0.263 172 1HH1 ARG 23 HH11 ARG 23 31.054 -6.802 0.618 173 2HH1 ARG 23 HH12 ARG 23 31.897 -8.098 1.416 174 1HH2 ARG 23 HH21 ARG 23 35.027 -6.507 1.343 175 2HH2 ARG 23 HH22 ARG 23 34.154 -7.931 1.832 176 H HIS 24 HN HIS 24 33.184 -0.827 -2.104 177 HA HIS 24 HA HIS 24 35.539 -2.072 -1.125 178 1HB HIS 24 HB2 HIS 24 34.818 -1.794 -3.571 179 2HB HIS 24 HB1 HIS 24 35.439 -0.150 -3.452 180 HD1 HIS 24 HD1 HIS 24 36.614 -3.743 -3.203 181 HD2 HIS 24 HD2 HIS 24 38.159 0.083 -3.739 182 HE1 HIS 24 HE1 HIS 24 39.060 -4.056 -3.701 183 HE2 HIS 24 HE2 HIS 24 40.005 -1.723 -3.826 184 H TYR 25 HN TYR 25 34.489 1.259 -1.522 185 HA TYR 25 HA TYR 25 36.757 2.554 -0.533 186 1HB TYR 25 HB2 TYR 25 35.102 3.912 -1.518 187 2HB TYR 25 HB1 TYR 25 33.819 3.195 -0.561 188 HD1 TYR 25 HD1 TYR 25 32.805 4.934 0.538 189 HD2 TYR 25 HD2 TYR 25 37.056 4.722 0.521 190 HE1 TYR 25 HE1 TYR 25 32.893 6.819 2.096 191 HE2 TYR 25 HE2 TYR 25 37.164 6.608 2.091 192 HH TYR 25 HH TYR 25 35.150 7.559 3.974 193 H LEU 26 HN LEU 26 33.862 1.379 1.174 194 HA LEU 26 HA LEU 26 34.637 1.960 3.772 195 1HB LEU 26 HB2 LEU 26 32.987 -0.315 2.693 196 2HB LEU 26 HB1 LEU 26 33.171 0.006 4.407 197 HG LEU 26 HG LEU 26 31.994 1.944 2.417 198 1HD1 LEU 26 HD11 LEU 26 29.952 1.288 4.028 199 2HD1 LEU 26 HD12 LEU 26 30.821 -0.244 4.007 200 3HD1 LEU 26 HD13 LEU 26 30.279 0.482 2.492 201 1HD2 LEU 26 HD21 LEU 26 32.952 3.104 4.283 202 2HD2 LEU 26 HD22 LEU 26 32.201 1.988 5.423 203 3HD2 LEU 26 HD23 LEU 26 31.199 3.088 4.476 204 H ASN 27 HN ASN 27 35.107 -1.042 1.956 205 HA ASN 27 HA ASN 27 36.556 -2.489 3.814 206 1HB ASN 27 HB2 ASN 27 36.047 -2.610 0.963 207 2HB ASN 27 HB1 ASN 27 37.664 -3.188 1.351 208 1HD2 ASN 27 HD21 ASN 27 35.052 -3.422 3.631 209 2HD2 ASN 27 HD22 ASN 27 34.882 -5.145 3.563 210 H LEU 28 HN LEU 28 37.715 0.063 1.674 211 HA LEU 28 HA LEU 28 40.472 -0.465 2.353 212 1HB LEU 28 HB2 LEU 28 39.989 0.527 0.172 213 2HB LEU 28 HB1 LEU 28 39.253 1.915 0.980 214 HG LEU 28 HG LEU 28 41.677 1.890 2.168 215 1HD1 LEU 28 HD11 LEU 28 43.316 1.679 0.249 216 2HD1 LEU 28 HD12 LEU 28 42.042 0.837 -0.632 217 3HD1 LEU 28 HD13 LEU 28 42.662 0.164 0.878 218 1HD2 LEU 28 HD21 LEU 28 41.916 3.410 -0.244 219 2HD2 LEU 28 HD22 LEU 28 41.559 3.973 1.390 220 3HD2 LEU 28 HD23 LEU 28 40.247 3.487 0.316 221 H VAL 29 HN VAL 29 38.255 2.171 2.871 222 HA VAL 29 HA VAL 29 39.888 3.829 4.311 223 HB VAL 29 HB VAL 29 37.694 4.480 3.374 224 1HG1 VAL 29 HG11 VAL 29 35.846 3.399 3.918 225 2HG1 VAL 29 HG12 VAL 29 35.991 4.003 5.571 226 3HG1 VAL 29 HG13 VAL 29 36.725 2.458 5.130 227 1HG2 VAL 29 HG21 VAL 29 37.085 5.582 5.860 228 2HG2 VAL 29 HG22 VAL 29 38.104 6.280 4.600 229 3HG2 VAL 29 HG23 VAL 29 38.828 5.310 5.884 230 H THR 30 HN THR 30 38.128 1.039 5.439 231 HA THR 30 HA THR 30 38.479 1.547 8.229 232 HB THR 30 HB THR 30 36.730 0.042 7.279 233 HG1 THR 30 HG1 THR 30 37.457 -1.796 8.866 234 1HG2 THR 30 HG21 THR 30 39.105 -1.730 6.744 235 2HG2 THR 30 HG22 THR 30 37.923 -1.118 5.585 236 3HG2 THR 30 HG23 THR 30 37.438 -2.312 6.790 237 H ARG 31 HN ARG 31 40.781 1.307 6.073 238 HA ARG 31 HA ARG 31 42.591 -0.647 6.678 239 1HB ARG 31 HB2 ARG 31 42.835 1.129 4.936 240 2HB ARG 31 HB1 ARG 31 43.297 2.249 6.212 241 1HG ARG 31 HG2 ARG 31 45.326 1.204 6.579 242 2HG ARG 31 HG1 ARG 31 44.778 -0.320 5.878 243 1HD ARG 31 HD2 ARG 31 46.147 0.472 4.210 244 2HD ARG 31 HD1 ARG 31 44.575 1.086 3.693 245 HE ARG 31 HE ARG 31 45.266 3.239 4.164 246 1HH1 ARG 31 HH11 ARG 31 47.640 0.970 5.412 247 2HH1 ARG 31 HH12 ARG 31 48.872 2.184 5.612 248 1HH2 ARG 31 HH21 ARG 31 46.849 4.822 4.461 249 2HH2 ARG 31 HH22 ARG 31 48.415 4.382 5.087 250 H GLN 32 HN GLN 32 42.149 2.456 8.296 251 HA GLN 32 HA GLN 32 43.869 1.553 10.506 252 1HB GLN 32 HB2 GLN 32 43.463 4.203 11.009 253 2HB GLN 32 HB1 GLN 32 44.842 3.558 10.132 254 1HG GLN 32 HG2 GLN 32 44.211 5.134 8.647 255 2HG GLN 32 HG1 GLN 32 43.154 3.844 8.087 256 1HE2 GLN 32 HE21 GLN 32 40.982 3.794 9.315 257 2HE2 GLN 32 HE22 GLN 32 40.214 5.327 9.516 258 H ARG 33 HN ARG 33 40.798 1.518 9.658 259 HA ARG 33 HA ARG 33 38.758 1.591 10.630 260 1HB ARG 33 HB2 ARG 33 40.500 0.104 12.246 261 2HB ARG 33 HB1 ARG 33 39.540 1.080 13.352 262 1HG ARG 33 HG2 ARG 33 37.964 -0.469 13.170 263 2HG ARG 33 HG1 ARG 33 37.694 0.133 11.532 264 1HD ARG 33 HD2 ARG 33 38.023 -2.133 11.184 265 2HD ARG 33 HD1 ARG 33 39.625 -1.461 10.888 266 HE ARG 33 HE ARG 33 39.089 -2.405 13.591 267 1HH1 ARG 33 HH11 ARG 33 40.483 -3.046 10.449 268 2HH1 ARG 33 HH12 ARG 33 41.528 -4.312 11.019 269 1HH2 ARG 33 HH21 ARG 33 40.443 -4.102 14.349 270 2HH2 ARG 33 HH22 ARG 33 41.483 -4.934 13.228 271 H TYR 34 HN TYR 34 39.641 2.332 13.811 272 HA TYR 34 HA TYR 34 38.785 5.122 13.424 273 1HB TYR 34 HB2 TYR 34 38.398 3.475 15.932 274 2HB TYR 34 HB1 TYR 34 37.705 5.052 15.570 275 HD1 TYR 34 HD1 TYR 34 36.090 5.161 13.540 276 HD2 TYR 34 HD2 TYR 34 37.179 1.549 15.502 277 HE1 TYR 34 HE1 TYR 34 34.088 4.069 12.624 278 HE2 TYR 34 HE2 TYR 34 35.181 0.447 14.593 279 HH TYR 34 HH TYR 34 33.045 0.946 13.692 280 1HN NH2 35 H1 NH2 35 42.098 5.784 14.509 281 2HN NH2 35 H2 NH2 35 41.025 5.732 13.155
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