NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619467 | 5lbj | 34011 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -27.964 -0.316 4.452 2 H2 MET 1 HT2 MET 1 -28.040 -1.254 3.047 3 H3 MET 1 HT3 MET 1 -28.384 0.401 2.978 4 HA MET 1 HA MET 1 -26.122 0.942 3.565 5 HB2 MET 1 HB2 MET 1 -25.703 -1.101 4.895 6 HB3 MET 1 HB1 MET 1 -25.680 -2.047 3.413 7 HG2 MET 1 HG2 MET 1 -23.722 -0.853 2.644 8 HG3 MET 1 HG1 MET 1 -23.764 0.178 4.074 9 HE1 MET 1 HE1 MET 1 -22.896 -2.315 6.941 10 HE2 MET 1 HE2 MET 1 -24.495 -1.814 6.393 11 HE3 MET 1 HE3 MET 1 -23.193 -0.630 6.511 12 H THR 2 HN THR 2 -24.558 1.261 1.925 13 HA THR 2 HA THR 2 -25.434 0.326 -0.729 14 HB THR 2 HB THR 2 -23.847 2.481 -1.268 15 HG1 THR 2 HG1 THR 2 -25.446 3.427 0.843 16 HG21 THR 2 HG21 THR 2 -25.933 3.693 -1.704 17 HG22 THR 2 HG22 THR 2 -26.822 2.513 -0.741 18 HG23 THR 2 HG23 THR 2 -26.044 2.018 -2.244 19 H PHE 3 HN PHE 3 -24.099 -0.896 -1.850 20 HA PHE 3 HA PHE 3 -21.615 -1.755 -0.844 21 HB2 PHE 3 HB2 PHE 3 -23.252 -2.862 -2.567 22 HB3 PHE 3 HB1 PHE 3 -22.293 -1.983 -3.755 23 HD1 PHE 3 HD1 PHE 3 -20.496 -3.077 -4.679 24 HD2 PHE 3 HD2 PHE 3 -21.798 -4.159 -0.778 25 HE1 PHE 3 HE1 PHE 3 -18.799 -4.857 -4.613 26 HE2 PHE 3 HE2 PHE 3 -20.105 -5.941 -0.702 27 HZ PHE 3 HZ PHE 3 -18.601 -6.294 -2.622 28 H ALA 4 HN ALA 4 -22.519 0.764 -3.105 29 HA ALA 4 HA ALA 4 -19.908 1.258 -4.115 30 HB1 ALA 4 HB1 ALA 4 -20.856 3.344 -4.977 31 HB2 ALA 4 HB2 ALA 4 -22.310 3.080 -4.015 32 HB3 ALA 4 HB3 ALA 4 -21.902 1.967 -5.321 33 H GLU 5 HN GLU 5 -21.832 2.698 -1.505 34 HA GLU 5 HA GLU 5 -19.954 4.694 -0.813 35 HB2 GLU 5 HB2 GLU 5 -22.165 3.382 0.772 36 HB3 GLU 5 HB1 GLU 5 -21.199 4.714 1.389 37 HG2 GLU 5 HG2 GLU 5 -22.933 4.790 -1.070 38 HG3 GLU 5 HG1 GLU 5 -23.333 5.479 0.503 39 H LEU 6 HN LEU 6 -20.291 1.326 0.006 40 HA LEU 6 HA LEU 6 -18.201 1.479 2.028 41 HB2 LEU 6 HB2 LEU 6 -20.287 0.018 2.223 42 HB3 LEU 6 HB1 LEU 6 -19.557 -1.005 0.999 43 HG LEU 6 HG LEU 6 -17.833 -0.435 3.319 44 HD11 LEU 6 HD11 LEU 6 -19.974 -0.633 4.453 45 HD12 LEU 6 HD12 LEU 6 -18.979 -2.058 4.753 46 HD13 LEU 6 HD13 LEU 6 -20.307 -2.136 3.595 47 HD21 LEU 6 HD21 LEU 6 -17.196 -1.978 1.532 48 HD22 LEU 6 HD22 LEU 6 -18.621 -2.960 1.865 49 HD23 LEU 6 HD23 LEU 6 -17.346 -2.817 3.075 50 H GLY 7 HN GLY 7 -18.503 1.053 -1.299 51 HA2 GLY 7 HA2 GLY 7 -16.409 -0.811 -1.773 52 HA3 GLY 7 HA1 GLY 7 -17.082 0.309 -2.946 53 H MET 8 HN MET 8 -16.491 2.741 -1.765 54 HA MET 8 HA MET 8 -13.749 3.019 -2.474 55 HB2 MET 8 HB2 MET 8 -15.679 4.964 -1.197 56 HB3 MET 8 HB1 MET 8 -14.069 5.392 -1.761 57 HG2 MET 8 HG2 MET 8 -16.288 4.307 -3.480 58 HG3 MET 8 HG1 MET 8 -15.814 6.000 -3.363 59 HE1 MET 8 HE1 MET 8 -14.609 4.864 -6.946 60 HE2 MET 8 HE2 MET 8 -15.546 6.066 -6.060 61 HE3 MET 8 HE3 MET 8 -16.065 4.382 -6.077 62 H ALA 9 HN ALA 9 -15.497 3.062 0.604 63 HA ALA 9 HA ALA 9 -13.270 3.740 2.211 64 HB1 ALA 9 HB1 ALA 9 -15.577 3.993 2.984 65 HB2 ALA 9 HB2 ALA 9 -14.635 2.996 4.092 66 HB3 ALA 9 HB3 ALA 9 -15.774 2.241 2.978 67 H PHE 10 HN PHE 10 -14.690 0.649 1.252 68 HA PHE 10 HA PHE 10 -12.932 -0.961 2.798 69 HB2 PHE 10 HB2 PHE 10 -14.976 -1.965 2.190 70 HB3 PHE 10 HB1 PHE 10 -14.795 -1.514 0.500 71 HD1 PHE 10 HD1 PHE 10 -12.576 -3.330 2.900 72 HD2 PHE 10 HD2 PHE 10 -14.689 -3.381 -0.793 73 HE1 PHE 10 HE1 PHE 10 -11.643 -5.551 2.403 74 HE2 PHE 10 HE2 PHE 10 -13.756 -5.601 -1.300 75 HZ PHE 10 HZ PHE 10 -12.232 -6.690 0.300 76 H TRP 11 HN TRP 11 -12.915 0.082 -0.599 77 HA TRP 11 HA TRP 11 -10.650 -1.427 -1.347 78 HB2 TRP 11 HB2 TRP 11 -12.217 0.778 -2.535 79 HB3 TRP 11 HB1 TRP 11 -10.552 0.639 -3.089 80 HD1 TRP 11 HD1 TRP 11 -13.898 -0.621 -3.863 81 HE1 TRP 11 HE1 TRP 11 -13.777 -2.685 -5.395 82 HE3 TRP 11 HE3 TRP 11 -8.931 -1.722 -3.350 83 HZ2 TRP 11 HZ2 TRP 11 -11.834 -4.538 -6.269 84 HZ3 TRP 11 HZ3 TRP 11 -8.021 -3.658 -4.567 85 HH2 TRP 11 HH2 TRP 11 -9.444 -5.037 -5.994 86 H HIS 12 HN HIS 12 -11.013 1.891 -0.180 87 HA HIS 12 HA HIS 12 -8.276 2.580 -0.423 88 HB2 HIS 12 HB2 HIS 12 -10.542 3.735 1.197 89 HB3 HIS 12 HB1 HIS 12 -8.915 4.407 1.245 90 HD1 HIS 12 HD1 HIS 12 -10.521 3.182 -1.948 91 HD2 HIS 12 HD2 HIS 12 -9.537 6.742 -0.047 92 HE1 HIS 12 HE1 HIS 12 -10.870 5.017 -3.654 93 H ASP 13 HN ASP 13 -10.214 1.232 2.201 94 HA ASP 13 HA ASP 13 -8.228 1.391 4.202 95 HB2 ASP 13 HB2 ASP 13 -10.616 1.075 4.708 96 HB3 ASP 13 HB1 ASP 13 -10.556 -0.527 3.978 97 H LEU 14 HN LEU 14 -9.137 -1.192 1.942 98 HA LEU 14 HA LEU 14 -7.202 -3.028 2.965 99 HB2 LEU 14 HB2 LEU 14 -7.877 -4.508 1.294 100 HB3 LEU 14 HB1 LEU 14 -9.325 -3.621 1.712 101 HG LEU 14 HG LEU 14 -8.582 -2.128 -0.349 102 HD11 LEU 14 HD11 LEU 14 -7.581 -4.824 -1.206 103 HD12 LEU 14 HD12 LEU 14 -6.501 -3.581 -0.579 104 HD13 LEU 14 HD13 LEU 14 -7.438 -3.276 -2.042 105 HD21 LEU 14 HD21 LEU 14 -10.710 -3.278 -0.144 106 HD22 LEU 14 HD22 LEU 14 -9.944 -4.811 -0.557 107 HD23 LEU 14 HD23 LEU 14 -10.039 -3.523 -1.756 108 H ALA 15 HN ALA 15 -7.229 -0.556 0.530 109 HA ALA 15 HA ALA 15 -4.870 -1.364 -0.831 110 HB1 ALA 15 HB1 ALA 15 -6.123 1.374 -0.694 111 HB2 ALA 15 HB2 ALA 15 -6.546 0.108 -1.847 112 HB3 ALA 15 HB3 ALA 15 -4.934 0.823 -1.874 113 H ALA 16 HN ALA 16 -5.492 0.674 1.964 114 HA ALA 16 HA ALA 16 -3.152 2.095 2.165 115 HB1 ALA 16 HB1 ALA 16 -4.617 0.849 4.487 116 HB2 ALA 16 HB2 ALA 16 -5.079 2.345 3.679 117 HB3 ALA 16 HB3 ALA 16 -3.543 2.246 4.540 118 HA PRO 17 HA PRO 17 -0.893 -1.519 4.405 119 HB2 PRO 17 HB2 PRO 17 -2.006 -3.992 4.380 120 HB3 PRO 17 HB1 PRO 17 -2.377 -2.796 5.638 121 HG2 PRO 17 HG2 PRO 17 -3.959 -3.536 3.222 122 HG3 PRO 17 HG1 PRO 17 -4.506 -3.237 4.884 123 HD2 PRO 17 HD2 PRO 17 -4.712 -1.381 2.924 124 HD3 PRO 17 HD1 PRO 17 -4.481 -0.962 4.631 125 H VAL 18 HN VAL 18 -2.701 -2.191 1.480 126 HA VAL 18 HA VAL 18 -0.915 -4.120 0.391 127 HB VAL 18 HB VAL 18 -2.973 -2.332 -0.910 128 HG11 VAL 18 HG11 VAL 18 -1.276 -2.829 -2.565 129 HG12 VAL 18 HG12 VAL 18 -2.737 -3.754 -2.908 130 HG13 VAL 18 HG13 VAL 18 -1.348 -4.544 -2.161 131 HG21 VAL 18 HG21 VAL 18 -4.366 -4.246 -0.968 132 HG22 VAL 18 HG22 VAL 18 -3.694 -4.177 0.662 133 HG23 VAL 18 HG23 VAL 18 -3.038 -5.314 -0.515 134 H ILE 19 HN ILE 19 -1.334 -0.640 -0.160 135 HA ILE 19 HA ILE 19 0.845 -0.388 -1.965 136 HB ILE 19 HB ILE 19 -0.528 1.736 -0.311 137 HG12 ILE 19 HG12 ILE 19 -1.020 1.197 -3.225 138 HG13 ILE 19 HG11 ILE 19 -1.872 0.270 -1.995 139 HG21 ILE 19 HG21 ILE 19 0.330 3.283 -2.046 140 HG22 ILE 19 HG22 ILE 19 1.261 1.949 -2.728 141 HG23 ILE 19 HG23 ILE 19 1.607 2.524 -1.097 142 HD11 ILE 19 HD11 ILE 19 -3.135 2.215 -2.856 143 HD12 ILE 19 HD12 ILE 19 -1.899 3.270 -2.169 144 HD13 ILE 19 HD13 ILE 19 -2.875 2.249 -1.112 145 H ALA 20 HN ALA 20 0.431 0.257 1.494 146 HA ALA 20 HA ALA 20 3.002 1.324 1.945 147 HB1 ALA 20 HB1 ALA 20 1.142 1.639 3.501 148 HB2 ALA 20 HB2 ALA 20 2.547 0.944 4.310 149 HB3 ALA 20 HB3 ALA 20 1.174 -0.081 3.891 150 H GLY 21 HN GLY 21 1.752 -1.969 1.966 151 HA2 GLY 21 HA2 GLY 21 4.031 -3.189 3.137 152 HA3 GLY 21 HA1 GLY 21 2.804 -4.004 2.179 153 H ILE 22 HN ILE 22 3.055 -2.731 -0.245 154 HA ILE 22 HA ILE 22 5.316 -4.038 -1.349 155 HB ILE 22 HB ILE 22 3.470 -1.989 -2.585 156 HG12 ILE 22 HG12 ILE 22 3.503 -4.997 -2.902 157 HG13 ILE 22 HG11 ILE 22 2.437 -4.141 -1.791 158 HG21 ILE 22 HG21 ILE 22 5.548 -2.050 -3.809 159 HG22 ILE 22 HG22 ILE 22 4.296 -2.867 -4.744 160 HG23 ILE 22 HG23 ILE 22 5.500 -3.812 -3.868 161 HD11 ILE 22 HD11 ILE 22 2.486 -3.768 -4.777 162 HD12 ILE 22 HD12 ILE 22 1.371 -3.009 -3.642 163 HD13 ILE 22 HD13 ILE 22 1.327 -4.755 -3.888 164 H LEU 23 HN LEU 23 4.611 -0.710 -0.469 165 HA LEU 23 HA LEU 23 6.862 0.491 -1.679 166 HB2 LEU 23 HB2 LEU 23 5.002 1.850 -1.014 167 HB3 LEU 23 HB1 LEU 23 5.141 1.323 0.652 168 HG LEU 23 HG LEU 23 7.304 2.506 0.830 169 HD11 LEU 23 HD11 LEU 23 6.652 3.471 -1.951 170 HD12 LEU 23 HD12 LEU 23 7.993 2.420 -1.495 171 HD13 LEU 23 HD13 LEU 23 7.949 4.089 -0.928 172 HD21 LEU 23 HD21 LEU 23 6.388 4.760 0.862 173 HD22 LEU 23 HD22 LEU 23 5.223 3.602 1.505 174 HD23 LEU 23 HD23 LEU 23 5.028 4.233 -0.130 175 H ALA 24 HN ALA 24 6.350 -1.057 1.429 176 HA ALA 24 HA ALA 24 8.651 -0.197 2.759 177 HB1 ALA 24 HB1 ALA 24 8.352 -2.135 4.198 178 HB2 ALA 24 HB2 ALA 24 7.249 -2.854 3.025 179 HB3 ALA 24 HB3 ALA 24 6.801 -1.367 3.861 180 H SER 25 HN SER 25 8.141 -3.039 0.691 181 HA SER 25 HA SER 25 10.719 -4.122 0.956 182 HB2 SER 25 HB2 SER 25 8.766 -4.353 -1.346 183 HB3 SER 25 HB1 SER 25 10.190 -5.369 -1.121 184 HG SER 25 HG SER 25 9.280 -6.202 0.734 185 H MET 26 HN MET 26 9.392 -1.725 -1.261 186 HA MET 26 HA MET 26 11.608 -1.577 -3.003 187 HB2 MET 26 HB2 MET 26 9.505 0.483 -2.314 188 HB3 MET 26 HB1 MET 26 10.663 0.650 -3.626 189 HG2 MET 26 HG2 MET 26 9.742 -1.275 -4.742 190 HG3 MET 26 HG1 MET 26 8.650 -1.574 -3.392 191 HE1 MET 26 HE1 MET 26 9.545 1.997 -4.859 192 HE2 MET 26 HE2 MET 26 8.362 2.106 -6.163 193 HE3 MET 26 HE3 MET 26 9.647 0.900 -6.236 194 H ILE 27 HN ILE 27 10.704 0.376 -0.176 195 HA ILE 27 HA ILE 27 12.872 2.142 -0.247 196 HB ILE 27 HB ILE 27 11.313 1.179 2.155 197 HG12 ILE 27 HG12 ILE 27 10.968 3.666 0.464 198 HG13 ILE 27 HG11 ILE 27 9.967 2.225 0.337 199 HG21 ILE 27 HG21 ILE 27 13.413 2.186 2.836 200 HG22 ILE 27 HG22 ILE 27 12.072 3.264 3.221 201 HG23 ILE 27 HG23 ILE 27 13.093 3.593 1.822 202 HD11 ILE 27 HD11 ILE 27 9.245 2.551 2.662 203 HD12 ILE 27 HD12 ILE 27 8.839 3.919 1.625 204 HD13 ILE 27 HD13 ILE 27 10.207 4.028 2.733 205 H VAL 28 HN VAL 28 12.498 -0.983 1.407 206 HA VAL 28 HA VAL 28 14.991 -0.927 2.733 207 HB VAL 28 HB VAL 28 13.336 -3.306 1.872 208 HG11 VAL 28 HG11 VAL 28 14.607 -4.539 3.599 209 HG12 VAL 28 HG12 VAL 28 15.660 -3.136 3.788 210 HG13 VAL 28 HG13 VAL 28 15.615 -4.006 2.254 211 HG21 VAL 28 HG21 VAL 28 12.217 -1.728 3.415 212 HG22 VAL 28 HG22 VAL 28 13.541 -1.950 4.558 213 HG23 VAL 28 HG23 VAL 28 12.501 -3.311 4.138 214 H ASN 29 HN ASN 29 13.992 -2.250 -0.397 215 HA ASN 29 HA ASN 29 16.401 -3.489 -1.091 216 HB2 ASN 29 HB2 ASN 29 14.213 -2.278 -2.782 217 HB3 ASN 29 HB1 ASN 29 15.587 -3.133 -3.476 218 HD21 ASN 29 HD21 ASN 29 12.766 -3.786 -3.592 219 HD22 ASN 29 HD22 ASN 29 12.604 -5.363 -2.906 220 H TRP 30 HN TRP 30 15.289 -0.173 -1.520 221 HA TRP 30 HA TRP 30 17.453 0.738 -3.079 222 HB2 TRP 30 HB2 TRP 30 15.650 2.184 -3.141 223 HB3 TRP 30 HB1 TRP 30 15.327 2.026 -1.419 224 HD1 TRP 30 HD1 TRP 30 18.196 3.556 -3.572 225 HE1 TRP 30 HE1 TRP 30 18.878 5.785 -2.479 226 HE3 TRP 30 HE3 TRP 30 15.011 3.505 0.424 227 HZ2 TRP 30 HZ2 TRP 30 18.155 7.321 -0.221 228 HZ3 TRP 30 HZ3 TRP 30 15.067 5.388 2.004 229 HH2 TRP 30 HH2 TRP 30 16.607 7.258 1.687 230 H LEU 31 HN LEU 31 16.860 0.830 0.424 231 HA LEU 31 HA LEU 31 19.248 2.142 1.119 232 HB2 LEU 31 HB2 LEU 31 17.354 0.382 2.635 233 HB3 LEU 31 HB1 LEU 31 18.816 1.000 3.382 234 HG LEU 31 HG LEU 31 16.857 2.859 2.079 235 HD11 LEU 31 HD11 LEU 31 15.792 3.172 4.247 236 HD12 LEU 31 HD12 LEU 31 16.783 1.883 4.929 237 HD13 LEU 31 HD13 LEU 31 15.595 1.515 3.679 238 HD21 LEU 31 HD21 LEU 31 18.843 3.205 4.321 239 HD22 LEU 31 HD22 LEU 31 17.828 4.467 3.623 240 HD23 LEU 31 HD23 LEU 31 19.084 3.705 2.648 241 H ASN 32 HN ASN 32 18.523 -1.212 0.459 242 HA ASN 32 HA ASN 32 20.864 -2.329 1.606 243 HB2 ASN 32 HB2 ASN 32 19.049 -3.344 -0.592 244 HB3 ASN 32 HB1 ASN 32 20.354 -4.288 0.120 245 HD21 ASN 32 HD21 ASN 32 17.472 -4.766 0.079 246 HD22 ASN 32 HD22 ASN 32 16.993 -4.909 1.733 247 H LYS 33 HN LYS 33 20.235 -0.608 -1.292 248 HA LYS 33 HA LYS 33 22.581 -1.543 -2.692 249 HB2 LYS 33 HB2 LYS 33 20.669 -0.938 -4.021 250 HB3 LYS 33 HB1 LYS 33 20.579 0.647 -3.268 251 HG2 LYS 33 HG2 LYS 33 23.085 -0.046 -4.692 252 HG3 LYS 33 HG1 LYS 33 21.646 0.265 -5.664 253 HD2 LYS 33 HD2 LYS 33 21.415 2.454 -4.787 254 HD3 LYS 33 HD1 LYS 33 22.589 2.142 -3.509 255 HE2 LYS 33 HE2 LYS 33 24.303 1.816 -5.332 256 HE3 LYS 33 HE1 LYS 33 23.101 2.446 -6.458 257 HZ1 LYS 33 HZ1 LYS 33 24.121 3.896 -4.076 258 HZ2 LYS 33 HZ2 LYS 33 23.035 4.500 -5.224 259 HZ3 LYS 33 HZ3 LYS 33 24.632 4.163 -5.666 260 H ARG 34 HN ARG 34 21.733 1.020 -0.523 261 HA ARG 34 HA ARG 34 23.898 2.760 -1.171 262 HB2 ARG 34 HB2 ARG 34 22.475 2.670 1.480 263 HB3 ARG 34 HB1 ARG 34 23.249 4.046 0.711 264 HG2 ARG 34 HG2 ARG 34 21.446 3.683 -1.132 265 HG3 ARG 34 HG1 ARG 34 20.601 2.798 0.142 266 HD2 ARG 34 HD2 ARG 34 21.482 5.679 0.172 267 HD3 ARG 34 HD1 ARG 34 19.833 5.055 0.197 268 HE ARG 34 HE ARG 34 20.741 4.004 2.434 269 HH11 ARG 34 HH11 ARG 34 21.249 7.205 1.158 270 HH12 ARG 34 HH12 ARG 34 21.410 7.941 2.718 271 HH21 ARG 34 HH21 ARG 34 20.953 4.962 4.493 272 HH22 ARG 34 HH22 ARG 34 21.241 6.666 4.614 273 H LYS 35 HN LYS 35 23.644 -0.135 0.625 274 HA LYS 35 HA LYS 35 25.092 -1.327 1.909 275 HB2 LYS 35 HB2 LYS 35 26.897 0.336 0.211 276 HB3 LYS 35 HB1 LYS 35 27.605 -0.577 1.536 277 HG2 LYS 35 HG2 LYS 35 27.766 -1.876 -0.461 278 HG3 LYS 35 HG1 LYS 35 26.576 -2.631 0.602 279 HD2 LYS 35 HD2 LYS 35 24.775 -1.554 -0.688 280 HD3 LYS 35 HD1 LYS 35 25.985 -0.860 -1.770 281 HE2 LYS 35 HE2 LYS 35 25.489 -3.801 -1.316 282 HE3 LYS 35 HE1 LYS 35 24.981 -2.873 -2.727 283 HZ1 LYS 35 HZ1 LYS 35 27.021 -4.118 -3.139 284 HZ2 LYS 35 HZ2 LYS 35 27.796 -3.299 -1.879 285 HZ3 LYS 35 HZ3 LYS 35 27.292 -2.451 -3.253 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -28.360 -1.458 3.210 2 H2 MET 1 HT2 MET 1 -27.921 -2.444 1.908 3 H3 MET 1 HT3 MET 1 -28.736 -0.989 1.628 4 HA MET 1 HA MET 1 -26.862 0.263 2.475 5 HB2 MET 1 HB2 MET 1 -26.107 -1.620 3.979 6 HB3 MET 1 HB1 MET 1 -25.424 -2.393 2.555 7 HG2 MET 1 HG2 MET 1 -24.013 -0.388 2.205 8 HG3 MET 1 HG1 MET 1 -24.634 0.266 3.720 9 HE1 MET 1 HE1 MET 1 -23.303 -2.362 6.318 10 HE2 MET 1 HE2 MET 1 -24.841 -2.476 5.461 11 HE3 MET 1 HE3 MET 1 -24.286 -0.918 6.075 12 H THR 2 HN THR 2 -25.266 1.003 1.028 13 HA THR 2 HA THR 2 -25.605 -0.034 -1.680 14 HB THR 2 HB THR 2 -23.900 2.216 -1.714 15 HG1 THR 2 HG1 THR 2 -26.130 3.203 -0.472 16 HG21 THR 2 HG21 THR 2 -26.853 1.965 -2.299 17 HG22 THR 2 HG22 THR 2 -25.537 1.639 -3.427 18 HG23 THR 2 HG23 THR 2 -25.810 3.280 -2.841 19 H PHE 3 HN PHE 3 -24.125 -1.238 -2.655 20 HA PHE 3 HA PHE 3 -21.755 -2.071 -1.375 21 HB2 PHE 3 HB2 PHE 3 -23.181 -3.145 -3.331 22 HB3 PHE 3 HB1 PHE 3 -22.029 -2.282 -4.345 23 HD1 PHE 3 HD1 PHE 3 -22.026 -4.474 -1.331 24 HD2 PHE 3 HD2 PHE 3 -20.155 -3.431 -5.006 25 HE1 PHE 3 HE1 PHE 3 -20.408 -6.297 -1.017 26 HE2 PHE 3 HE2 PHE 3 -18.532 -5.255 -4.702 27 HZ PHE 3 HZ PHE 3 -18.657 -6.692 -2.705 28 H ALA 4 HN ALA 4 -22.442 0.448 -3.712 29 HA ALA 4 HA ALA 4 -19.761 1.017 -4.427 30 HB1 ALA 4 HB1 ALA 4 -20.639 3.097 -5.342 31 HB2 ALA 4 HB2 ALA 4 -22.164 2.841 -4.493 32 HB3 ALA 4 HB3 ALA 4 -21.675 1.737 -5.779 33 H GLU 5 HN GLU 5 -21.933 2.295 -1.944 34 HA GLU 5 HA GLU 5 -20.223 4.327 -1.004 35 HB2 GLU 5 HB2 GLU 5 -22.429 2.787 0.375 36 HB3 GLU 5 HB1 GLU 5 -21.603 4.160 1.100 37 HG2 GLU 5 HG2 GLU 5 -23.202 4.212 -1.450 38 HG3 GLU 5 HG1 GLU 5 -23.736 4.805 0.122 39 H LEU 6 HN LEU 6 -20.496 0.906 -0.276 40 HA LEU 6 HA LEU 6 -18.530 1.062 1.850 41 HB2 LEU 6 HB2 LEU 6 -20.521 -0.523 1.832 42 HB3 LEU 6 HB1 LEU 6 -19.669 -1.427 0.592 43 HG LEU 6 HG LEU 6 -18.085 -0.922 3.016 44 HD11 LEU 6 HD11 LEU 6 -20.508 -2.712 3.122 45 HD12 LEU 6 HD12 LEU 6 -20.257 -1.239 4.058 46 HD13 LEU 6 HD13 LEU 6 -19.226 -2.643 4.331 47 HD21 LEU 6 HD21 LEU 6 -17.343 -2.359 1.172 48 HD22 LEU 6 HD22 LEU 6 -18.729 -3.414 1.444 49 HD23 LEU 6 HD23 LEU 6 -17.486 -3.255 2.684 50 H GLY 7 HN GLY 7 -18.560 0.805 -1.507 51 HA2 GLY 7 HA2 GLY 7 -16.334 -0.906 -1.925 52 HA3 GLY 7 HA1 GLY 7 -16.972 0.257 -3.076 53 H MET 8 HN MET 8 -16.605 2.633 -1.727 54 HA MET 8 HA MET 8 -13.852 3.115 -2.210 55 HB2 MET 8 HB2 MET 8 -15.974 4.827 -0.905 56 HB3 MET 8 HB1 MET 8 -14.359 5.397 -1.302 57 HG2 MET 8 HG2 MET 8 -16.345 4.332 -3.296 58 HG3 MET 8 HG1 MET 8 -16.065 6.039 -2.960 59 HE1 MET 8 HE1 MET 8 -15.940 4.981 -5.875 60 HE2 MET 8 HE2 MET 8 -14.437 5.678 -6.480 61 HE3 MET 8 HE3 MET 8 -15.512 6.643 -5.468 62 H ALA 9 HN ALA 9 -15.763 2.990 0.790 63 HA ALA 9 HA ALA 9 -13.667 3.612 2.548 64 HB1 ALA 9 HB1 ALA 9 -16.106 1.923 3.089 65 HB2 ALA 9 HB2 ALA 9 -16.033 3.682 3.182 66 HB3 ALA 9 HB3 ALA 9 -15.085 2.700 4.299 67 H PHE 10 HN PHE 10 -14.874 0.486 1.395 68 HA PHE 10 HA PHE 10 -13.088 -1.083 2.947 69 HB2 PHE 10 HB2 PHE 10 -15.049 -2.164 2.208 70 HB3 PHE 10 HB1 PHE 10 -14.818 -1.638 0.547 71 HD1 PHE 10 HD1 PHE 10 -14.550 -3.439 -0.816 72 HD2 PHE 10 HD2 PHE 10 -12.622 -3.443 2.978 73 HE1 PHE 10 HE1 PHE 10 -13.487 -5.591 -1.363 74 HE2 PHE 10 HE2 PHE 10 -11.558 -5.595 2.440 75 HZ PHE 10 HZ PHE 10 -11.989 -6.672 0.267 76 H TRP 11 HN TRP 11 -12.983 0.096 -0.405 77 HA TRP 11 HA TRP 11 -10.610 -1.254 -1.109 78 HB2 TRP 11 HB2 TRP 11 -12.241 0.915 -2.263 79 HB3 TRP 11 HB1 TRP 11 -10.544 0.912 -2.735 80 HD1 TRP 11 HD1 TRP 11 -13.760 -0.526 -3.734 81 HE1 TRP 11 HE1 TRP 11 -13.428 -2.493 -5.359 82 HE3 TRP 11 HE3 TRP 11 -8.757 -1.309 -3.045 83 HZ2 TRP 11 HZ2 TRP 11 -11.323 -4.160 -6.231 84 HZ3 TRP 11 HZ3 TRP 11 -7.659 -3.111 -4.312 85 HH2 TRP 11 HH2 TRP 11 -8.919 -4.507 -5.871 86 H HIS 12 HN HIS 12 -11.200 1.942 0.262 87 HA HIS 12 HA HIS 12 -8.506 2.813 0.151 88 HB2 HIS 12 HB2 HIS 12 -10.890 3.713 1.762 89 HB3 HIS 12 HB1 HIS 12 -9.309 4.470 1.928 90 HD1 HIS 12 HD1 HIS 12 -10.615 3.402 -1.440 91 HD2 HIS 12 HD2 HIS 12 -10.121 6.858 0.813 92 HE1 HIS 12 HE1 HIS 12 -11.032 5.340 -3.011 93 H ASP 13 HN ASP 13 -10.426 1.177 2.623 94 HA ASP 13 HA ASP 13 -8.482 1.308 4.670 95 HB2 ASP 13 HB2 ASP 13 -10.843 0.874 5.149 96 HB3 ASP 13 HB1 ASP 13 -10.746 -0.659 4.289 97 H LEU 14 HN LEU 14 -9.238 -1.166 2.239 98 HA LEU 14 HA LEU 14 -7.255 -2.985 3.191 99 HB2 LEU 14 HB2 LEU 14 -7.837 -4.390 1.430 100 HB3 LEU 14 HB1 LEU 14 -9.326 -3.578 1.854 101 HG LEU 14 HG LEU 14 -8.628 -1.954 -0.101 102 HD11 LEU 14 HD11 LEU 14 -6.456 -2.952 -0.506 103 HD12 LEU 14 HD12 LEU 14 -7.502 -3.185 -1.907 104 HD13 LEU 14 HD13 LEU 14 -7.207 -4.520 -0.792 105 HD21 LEU 14 HD21 LEU 14 -9.734 -4.718 -0.586 106 HD22 LEU 14 HD22 LEU 14 -9.959 -3.307 -1.620 107 HD23 LEU 14 HD23 LEU 14 -10.658 -3.334 0.000 108 H ALA 15 HN ALA 15 -7.295 -0.361 0.912 109 HA ALA 15 HA ALA 15 -4.886 -1.033 -0.438 110 HB1 ALA 15 HB1 ALA 15 -6.572 0.460 -1.407 111 HB2 ALA 15 HB2 ALA 15 -4.976 1.209 -1.355 112 HB3 ALA 15 HB3 ALA 15 -6.204 1.665 -0.173 113 H ALA 16 HN ALA 16 -5.610 0.839 2.448 114 HA ALA 16 HA ALA 16 -3.322 2.299 2.798 115 HB1 ALA 16 HB1 ALA 16 -4.583 0.856 5.106 116 HB2 ALA 16 HB2 ALA 16 -5.402 2.175 4.274 117 HB3 ALA 16 HB3 ALA 16 -3.853 2.461 5.068 118 HA PRO 17 HA PRO 17 -0.986 -1.402 4.817 119 HB2 PRO 17 HB2 PRO 17 -2.023 -3.897 4.578 120 HB3 PRO 17 HB1 PRO 17 -2.461 -2.811 5.912 121 HG2 PRO 17 HG2 PRO 17 -3.957 -3.407 3.405 122 HG3 PRO 17 HG1 PRO 17 -4.556 -3.259 5.070 123 HD2 PRO 17 HD2 PRO 17 -4.776 -1.261 3.258 124 HD3 PRO 17 HD1 PRO 17 -4.595 -0.970 4.997 125 H VAL 18 HN VAL 18 -2.699 -1.881 1.805 126 HA VAL 18 HA VAL 18 -0.848 -3.692 0.623 127 HB VAL 18 HB VAL 18 -2.923 -1.873 -0.604 128 HG11 VAL 18 HG11 VAL 18 -1.200 -2.267 -2.258 129 HG12 VAL 18 HG12 VAL 18 -2.642 -3.198 -2.663 130 HG13 VAL 18 HG13 VAL 18 -1.250 -4.000 -1.936 131 HG21 VAL 18 HG21 VAL 18 -3.595 -3.832 0.882 132 HG22 VAL 18 HG22 VAL 18 -2.974 -4.870 -0.402 133 HG23 VAL 18 HG23 VAL 18 -4.310 -3.765 -0.729 134 H ILE 19 HN ILE 19 -1.332 -0.188 0.322 135 HA ILE 19 HA ILE 19 0.831 0.222 -1.469 136 HB ILE 19 HB ILE 19 -0.464 2.250 0.355 137 HG12 ILE 19 HG12 ILE 19 -1.205 1.760 -2.519 138 HG13 ILE 19 HG11 ILE 19 -1.973 0.849 -1.222 139 HG21 ILE 19 HG21 ILE 19 1.067 2.555 -2.226 140 HG22 ILE 19 HG22 ILE 19 1.620 3.023 -0.618 141 HG23 ILE 19 HG23 ILE 19 0.256 3.860 -1.360 142 HD11 ILE 19 HD11 ILE 19 -3.302 2.774 -1.917 143 HD12 ILE 19 HD12 ILE 19 -1.972 3.846 -1.478 144 HD13 ILE 19 HD13 ILE 19 -2.791 2.900 -0.234 145 H ALA 20 HN ALA 20 0.472 0.509 2.039 146 HA ALA 20 HA ALA 20 3.007 1.634 2.551 147 HB1 ALA 20 HB1 ALA 20 1.172 1.683 4.171 148 HB2 ALA 20 HB2 ALA 20 2.633 0.982 4.866 149 HB3 ALA 20 HB3 ALA 20 1.303 -0.065 4.370 150 H GLY 21 HN GLY 21 1.908 -1.690 2.195 151 HA2 GLY 21 HA2 GLY 21 4.266 -2.925 3.188 152 HA3 GLY 21 HA1 GLY 21 3.051 -3.686 2.172 153 H ILE 22 HN ILE 22 3.192 -2.145 -0.106 154 HA ILE 22 HA ILE 22 5.476 -3.239 -1.381 155 HB ILE 22 HB ILE 22 3.572 -1.127 -2.403 156 HG12 ILE 22 HG12 ILE 22 3.555 -4.115 -2.878 157 HG13 ILE 22 HG11 ILE 22 2.526 -3.299 -1.706 158 HG21 ILE 22 HG21 ILE 22 4.330 -1.841 -4.629 159 HG22 ILE 22 HG22 ILE 22 5.510 -2.912 -3.873 160 HG23 ILE 22 HG23 ILE 22 5.645 -1.166 -3.667 161 HD11 ILE 22 HD11 ILE 22 2.510 -2.849 -4.682 162 HD12 ILE 22 HD12 ILE 22 1.477 -2.034 -3.507 163 HD13 ILE 22 HD13 ILE 22 1.324 -3.773 -3.758 164 H LEU 23 HN LEU 23 4.664 -0.011 -0.209 165 HA LEU 23 HA LEU 23 6.834 1.361 -1.366 166 HB2 LEU 23 HB2 LEU 23 5.012 2.636 -0.528 167 HB3 LEU 23 HB1 LEU 23 5.145 1.914 1.064 168 HG LEU 23 HG LEU 23 7.256 3.095 1.442 169 HD11 LEU 23 HD11 LEU 23 6.765 4.303 -1.276 170 HD12 LEU 23 HD12 LEU 23 8.067 3.195 -0.847 171 HD13 LEU 23 HD13 LEU 23 8.013 4.809 -0.138 172 HD21 LEU 23 HD21 LEU 23 5.132 4.150 2.079 173 HD22 LEU 23 HD22 LEU 23 5.062 4.938 0.503 174 HD23 LEU 23 HD23 LEU 23 6.355 5.340 1.632 175 H ALA 24 HN ALA 24 6.480 -0.402 1.659 176 HA ALA 24 HA ALA 24 8.927 0.355 2.829 177 HB1 ALA 24 HB1 ALA 24 7.336 -2.182 3.192 178 HB2 ALA 24 HB2 ALA 24 7.147 -0.692 4.115 179 HB3 ALA 24 HB3 ALA 24 8.636 -1.628 4.248 180 H SER 25 HN SER 25 8.070 -2.177 0.541 181 HA SER 25 HA SER 25 10.473 -3.631 0.642 182 HB2 SER 25 HB2 SER 25 8.551 -3.263 -1.670 183 HB3 SER 25 HB1 SER 25 9.813 -4.492 -1.586 184 HG SER 25 HG SER 25 8.260 -5.615 -0.701 185 H MET 26 HN MET 26 9.449 -0.965 -1.479 186 HA MET 26 HA MET 26 11.746 -0.840 -3.059 187 HB2 MET 26 HB2 MET 26 9.930 1.431 -2.228 188 HB3 MET 26 HB1 MET 26 11.066 1.471 -3.570 189 HG2 MET 26 HG2 MET 26 9.799 -0.466 -4.555 190 HG3 MET 26 HG1 MET 26 8.583 -0.198 -3.307 191 HE1 MET 26 HE1 MET 26 8.707 3.004 -3.064 192 HE2 MET 26 HE2 MET 26 7.198 2.091 -3.073 193 HE3 MET 26 HE3 MET 26 7.405 3.463 -4.161 194 H ILE 27 HN ILE 27 11.021 0.672 0.056 195 HA ILE 27 HA ILE 27 13.323 2.289 0.205 196 HB ILE 27 HB ILE 27 11.719 1.070 2.460 197 HG12 ILE 27 HG12 ILE 27 11.581 3.816 1.190 198 HG13 ILE 27 HG11 ILE 27 10.415 2.521 0.940 199 HG21 ILE 27 HG21 ILE 27 13.721 3.328 2.486 200 HG22 ILE 27 HG22 ILE 27 13.916 1.743 3.235 201 HG23 ILE 27 HG23 ILE 27 12.695 2.860 3.842 202 HD11 ILE 27 HD11 ILE 27 10.989 3.913 3.545 203 HD12 ILE 27 HD12 ILE 27 9.840 2.595 3.317 204 HD13 ILE 27 HD13 ILE 27 9.573 4.145 2.519 205 H VAL 28 HN VAL 28 12.673 -1.003 1.372 206 HA VAL 28 HA VAL 28 15.171 -1.415 2.598 207 HB VAL 28 HB VAL 28 13.303 -3.458 1.384 208 HG11 VAL 28 HG11 VAL 28 15.608 -3.814 3.297 209 HG12 VAL 28 HG12 VAL 28 15.525 -4.395 1.634 210 HG13 VAL 28 HG13 VAL 28 14.449 -5.067 2.858 211 HG21 VAL 28 HG21 VAL 28 12.501 -3.768 3.660 212 HG22 VAL 28 HG22 VAL 28 12.292 -2.091 3.156 213 HG23 VAL 28 HG23 VAL 28 13.615 -2.528 4.237 214 H ASN 29 HN ASN 29 14.044 -2.171 -0.692 215 HA ASN 29 HA ASN 29 16.372 -3.451 -1.576 216 HB2 ASN 29 HB2 ASN 29 14.172 -1.988 -3.010 217 HB3 ASN 29 HB1 ASN 29 15.554 -2.629 -3.893 218 HD21 ASN 29 HD21 ASN 29 12.565 -3.324 -2.444 219 HD22 ASN 29 HD22 ASN 29 12.566 -5.031 -2.704 220 H TRP 30 HN TRP 30 15.489 -0.041 -1.504 221 HA TRP 30 HA TRP 30 17.677 0.901 -3.027 222 HB2 TRP 30 HB2 TRP 30 15.917 2.421 -2.848 223 HB3 TRP 30 HB1 TRP 30 15.736 2.162 -1.118 224 HD1 TRP 30 HD1 TRP 30 18.585 3.571 -3.375 225 HE1 TRP 30 HE1 TRP 30 19.507 5.684 -2.231 226 HE3 TRP 30 HE3 TRP 30 15.605 3.610 0.778 227 HZ2 TRP 30 HZ2 TRP 30 19.032 7.172 0.123 228 HZ3 TRP 30 HZ3 TRP 30 15.903 5.409 2.428 229 HH2 TRP 30 HH2 TRP 30 17.582 7.154 2.106 230 H LEU 31 HN LEU 31 17.155 0.742 0.491 231 HA LEU 31 HA LEU 31 19.685 1.749 1.200 232 HB2 LEU 31 HB2 LEU 31 17.611 0.150 2.653 233 HB3 LEU 31 HB1 LEU 31 19.151 0.522 3.408 234 HG LEU 31 HG LEU 31 17.439 2.700 2.258 235 HD11 LEU 31 HD11 LEU 31 17.270 1.567 5.044 236 HD12 LEU 31 HD12 LEU 31 16.027 1.445 3.800 237 HD13 LEU 31 HD13 LEU 31 16.457 3.020 4.465 238 HD21 LEU 31 HD21 LEU 31 18.634 4.062 3.887 239 HD22 LEU 31 HD22 LEU 31 19.759 3.219 2.822 240 HD23 LEU 31 HD23 LEU 31 19.493 2.634 4.464 241 H ASN 32 HN ASN 32 18.587 -1.452 0.365 242 HA ASN 32 HA ASN 32 20.860 -2.837 1.408 243 HB2 ASN 32 HB2 ASN 32 18.643 -3.638 -0.467 244 HB3 ASN 32 HB1 ASN 32 19.954 -4.731 -0.038 245 HD21 ASN 32 HD21 ASN 32 18.460 -6.142 0.910 246 HD22 ASN 32 HD22 ASN 32 17.767 -5.816 2.459 247 H LYS 33 HN LYS 33 20.350 -1.017 -1.454 248 HA LYS 33 HA LYS 33 22.530 -2.424 -2.825 249 HB2 LYS 33 HB2 LYS 33 21.813 -1.452 -4.849 250 HB3 LYS 33 HB1 LYS 33 20.340 -1.918 -4.013 251 HG2 LYS 33 HG2 LYS 33 19.661 0.146 -4.541 252 HG3 LYS 33 HG1 LYS 33 20.637 0.636 -3.156 253 HD2 LYS 33 HD2 LYS 33 22.545 1.027 -4.652 254 HD3 LYS 33 HD1 LYS 33 21.546 0.565 -6.032 255 HE2 LYS 33 HE2 LYS 33 21.104 2.912 -4.190 256 HE3 LYS 33 HE1 LYS 33 21.656 2.977 -5.863 257 HZ1 LYS 33 HZ1 LYS 33 19.311 3.487 -5.713 258 HZ2 LYS 33 HZ2 LYS 33 19.001 2.013 -4.944 259 HZ3 LYS 33 HZ3 LYS 33 19.530 2.033 -6.551 260 H ARG 34 HN ARG 34 21.741 0.597 -1.293 261 HA ARG 34 HA ARG 34 24.074 1.955 -2.328 262 HB2 ARG 34 HB2 ARG 34 23.379 3.818 -0.914 263 HB3 ARG 34 HB1 ARG 34 22.023 3.216 -1.857 264 HG2 ARG 34 HG2 ARG 34 21.048 2.177 0.023 265 HG3 ARG 34 HG1 ARG 34 22.514 2.378 0.985 266 HD2 ARG 34 HD2 ARG 34 20.775 4.616 -0.047 267 HD3 ARG 34 HD1 ARG 34 20.759 3.990 1.600 268 HE ARG 34 HE ARG 34 23.375 4.780 0.887 269 HH11 ARG 34 HH11 ARG 34 20.258 6.097 1.714 270 HH12 ARG 34 HH12 ARG 34 20.907 7.569 2.357 271 HH21 ARG 34 HH21 ARG 34 24.239 6.715 1.735 272 HH22 ARG 34 HH22 ARG 34 23.168 7.919 2.371 273 H LYS 35 HN LYS 35 24.155 -0.549 -0.561 274 HA LYS 35 HA LYS 35 25.293 0.156 1.917 275 HB2 LYS 35 HB2 LYS 35 26.238 -2.202 1.829 276 HB3 LYS 35 HB1 LYS 35 24.491 -2.055 1.707 277 HG2 LYS 35 HG2 LYS 35 24.712 -2.256 -0.763 278 HG3 LYS 35 HG1 LYS 35 26.432 -2.575 -0.533 279 HD2 LYS 35 HD2 LYS 35 25.834 -4.507 0.902 280 HD3 LYS 35 HD1 LYS 35 24.134 -4.214 0.532 281 HE2 LYS 35 HE2 LYS 35 25.026 -5.973 -0.888 282 HE3 LYS 35 HE1 LYS 35 24.596 -4.558 -1.848 283 HZ1 LYS 35 HZ1 LYS 35 27.338 -5.280 -0.960 284 HZ2 LYS 35 HZ2 LYS 35 26.929 -3.918 -1.875 285 HZ3 LYS 35 HZ3 LYS 35 26.724 -5.467 -2.526 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 27.930 -1.945 -1.149 2 H2 MET 1 HT2 MET 1 27.449 -2.663 -2.603 3 H3 MET 1 HT3 MET 1 26.789 -3.195 -1.139 4 HA MET 1 HA MET 1 26.421 -0.506 -2.324 5 HB2 MET 1 HB2 MET 1 24.101 -1.207 -2.695 6 HB3 MET 1 HB1 MET 1 25.225 -2.237 -3.570 7 HG2 MET 1 HG2 MET 1 25.031 -3.903 -1.739 8 HG3 MET 1 HG1 MET 1 23.787 -2.888 -1.009 9 HE1 MET 1 HE1 MET 1 23.379 -4.985 -5.099 10 HE2 MET 1 HE2 MET 1 24.790 -5.120 -4.050 11 HE3 MET 1 HE3 MET 1 24.428 -3.589 -4.849 12 H THR 2 HN THR 2 25.196 0.929 -1.131 13 HA THR 2 HA THR 2 25.316 0.581 1.714 14 HB THR 2 HB THR 2 23.720 2.842 1.088 15 HG1 THR 2 HG1 THR 2 25.605 3.763 -0.297 16 HG21 THR 2 HG21 THR 2 25.672 4.079 1.924 17 HG22 THR 2 HG22 THR 2 26.647 2.614 1.800 18 HG23 THR 2 HG23 THR 2 25.303 2.685 2.940 19 H PHE 3 HN PHE 3 23.800 -0.143 3.032 20 HA PHE 3 HA PHE 3 21.373 -1.220 2.099 21 HB2 PHE 3 HB2 PHE 3 22.767 -1.733 4.258 22 HB3 PHE 3 HB1 PHE 3 21.770 -0.471 4.975 23 HD1 PHE 3 HD1 PHE 3 21.326 -3.461 2.804 24 HD2 PHE 3 HD2 PHE 3 19.892 -1.169 6.087 25 HE1 PHE 3 HE1 PHE 3 19.531 -5.107 3.161 26 HE2 PHE 3 HE2 PHE 3 18.094 -2.810 6.454 27 HZ PHE 3 HZ PHE 3 17.911 -4.783 4.990 28 H ALA 4 HN ALA 4 22.217 1.878 3.506 29 HA ALA 4 HA ALA 4 19.596 2.782 4.047 30 HB1 ALA 4 HB1 ALA 4 20.585 5.007 4.171 31 HB2 ALA 4 HB2 ALA 4 22.062 4.404 3.419 32 HB3 ALA 4 HB3 ALA 4 21.586 3.827 5.016 33 H GLU 5 HN GLU 5 21.660 2.962 1.196 34 HA GLU 5 HA GLU 5 19.953 4.659 -0.312 35 HB2 GLU 5 HB2 GLU 5 22.102 2.721 -1.187 36 HB3 GLU 5 HB1 GLU 5 21.300 3.860 -2.260 37 HG2 GLU 5 HG2 GLU 5 22.974 4.570 0.138 38 HG3 GLU 5 HG1 GLU 5 23.471 4.684 -1.550 39 H LEU 6 HN LEU 6 20.384 1.142 -0.154 40 HA LEU 6 HA LEU 6 18.321 0.651 -2.102 41 HB2 LEU 6 HB2 LEU 6 20.385 -0.805 -1.563 42 HB3 LEU 6 HB1 LEU 6 19.445 -1.386 -0.201 43 HG LEU 6 HG LEU 6 18.100 -1.519 -2.832 44 HD11 LEU 6 HD11 LEU 6 20.408 -3.327 -2.129 45 HD12 LEU 6 HD12 LEU 6 20.358 -2.171 -3.460 46 HD13 LEU 6 HD13 LEU 6 19.281 -3.567 -3.464 47 HD21 LEU 6 HD21 LEU 6 18.421 -3.463 -0.547 48 HD22 LEU 6 HD22 LEU 6 17.355 -3.664 -1.938 49 HD23 LEU 6 HD23 LEU 6 17.063 -2.364 -0.784 50 H GLY 7 HN GLY 7 18.393 1.383 1.190 51 HA2 GLY 7 HA2 GLY 7 16.206 -0.180 2.112 52 HA3 GLY 7 HA1 GLY 7 16.840 1.264 2.883 53 H MET 8 HN MET 8 16.406 3.174 0.949 54 HA MET 8 HA MET 8 13.637 3.693 1.322 55 HB2 MET 8 HB2 MET 8 15.708 5.094 -0.374 56 HB3 MET 8 HB1 MET 8 14.077 5.696 -0.109 57 HG2 MET 8 HG2 MET 8 16.164 5.246 2.013 58 HG3 MET 8 HG1 MET 8 15.680 6.803 1.343 59 HE1 MET 8 HE1 MET 8 15.305 7.652 3.875 60 HE2 MET 8 HE2 MET 8 15.740 6.055 4.485 61 HE3 MET 8 HE3 MET 8 14.249 6.829 5.023 62 H ALA 9 HN ALA 9 15.573 2.799 -1.516 63 HA ALA 9 HA ALA 9 13.487 2.917 -3.400 64 HB1 ALA 9 HB1 ALA 9 15.941 1.165 -3.462 65 HB2 ALA 9 HB2 ALA 9 15.870 2.842 -4.003 66 HB3 ALA 9 HB3 ALA 9 14.932 1.605 -4.840 67 H PHE 10 HN PHE 10 14.725 0.243 -1.439 68 HA PHE 10 HA PHE 10 12.982 -1.722 -2.517 69 HB2 PHE 10 HB2 PHE 10 14.954 -2.523 -1.499 70 HB3 PHE 10 HB1 PHE 10 14.689 -1.579 -0.040 71 HD1 PHE 10 HD1 PHE 10 12.668 -4.070 -1.962 72 HD2 PHE 10 HD2 PHE 10 14.322 -2.889 1.776 73 HE1 PHE 10 HE1 PHE 10 11.626 -6.023 -0.888 74 HE2 PHE 10 HE2 PHE 10 13.282 -4.836 2.860 75 HZ PHE 10 HZ PHE 10 11.931 -6.409 1.526 76 H TRP 11 HN TRP 11 12.830 0.311 0.397 77 HA TRP 11 HA TRP 11 10.469 -0.838 1.427 78 HB2 TRP 11 HB2 TRP 11 12.067 1.575 1.975 79 HB3 TRP 11 HB1 TRP 11 10.363 1.699 2.397 80 HD1 TRP 11 HD1 TRP 11 13.531 0.660 3.861 81 HE1 TRP 11 HE1 TRP 11 13.162 -0.818 5.936 82 HE3 TRP 11 HE3 TRP 11 8.586 -0.448 3.195 83 HZ2 TRP 11 HZ2 TRP 11 11.051 -2.264 7.131 84 HZ3 TRP 11 HZ3 TRP 11 7.466 -1.885 4.847 85 HH2 TRP 11 HH2 TRP 11 8.674 -2.775 6.774 86 H HIS 12 HN HIS 12 11.017 1.924 -0.701 87 HA HIS 12 HA HIS 12 8.305 2.725 -0.851 88 HB2 HIS 12 HB2 HIS 12 10.687 3.240 -2.633 89 HB3 HIS 12 HB1 HIS 12 9.097 3.926 -2.954 90 HD1 HIS 12 HD1 HIS 12 10.260 3.717 0.595 91 HD2 HIS 12 HD2 HIS 12 10.091 6.495 -2.490 92 HE1 HIS 12 HE1 HIS 12 10.749 5.968 1.640 93 H ASP 13 HN ASP 13 10.303 0.559 -2.790 94 HA ASP 13 HA ASP 13 8.395 0.129 -4.836 95 HB2 ASP 13 HB2 ASP 13 10.740 -0.323 -5.235 96 HB3 ASP 13 HB1 ASP 13 10.759 -1.535 -3.958 97 H LEU 14 HN LEU 14 9.184 -1.650 -1.865 98 HA LEU 14 HA LEU 14 7.305 -3.738 -2.382 99 HB2 LEU 14 HB2 LEU 14 7.903 -4.648 -0.326 100 HB3 LEU 14 HB1 LEU 14 9.365 -3.878 -0.897 101 HG LEU 14 HG LEU 14 8.471 -1.874 0.596 102 HD11 LEU 14 HD11 LEU 14 7.407 -4.273 2.067 103 HD12 LEU 14 HD12 LEU 14 6.389 -3.180 1.130 104 HD13 LEU 14 HD13 LEU 14 7.283 -2.573 2.526 105 HD21 LEU 14 HD21 LEU 14 9.826 -2.804 2.453 106 HD22 LEU 14 HD22 LEU 14 10.620 -2.918 0.883 107 HD23 LEU 14 HD23 LEU 14 9.875 -4.346 1.599 108 H ALA 15 HN ALA 15 7.176 -0.653 -0.784 109 HA ALA 15 HA ALA 15 4.760 -1.102 0.641 110 HB1 ALA 15 HB1 ALA 15 6.371 0.654 1.246 111 HB2 ALA 15 HB2 ALA 15 4.738 1.282 1.027 112 HB3 ALA 15 HB3 ALA 15 5.952 1.525 -0.230 113 H ALA 16 HN ALA 16 5.495 0.076 -2.586 114 HA ALA 16 HA ALA 16 3.151 1.295 -3.311 115 HB1 ALA 16 HB1 ALA 16 5.222 1.073 -4.696 116 HB2 ALA 16 HB2 ALA 16 3.710 0.856 -5.580 117 HB3 ALA 16 HB3 ALA 16 4.681 -0.547 -5.135 118 HA PRO 17 HA PRO 17 1.076 -2.892 -4.517 119 HB2 PRO 17 HB2 PRO 17 2.210 -5.204 -3.662 120 HB3 PRO 17 HB1 PRO 17 2.655 -4.441 -5.201 121 HG2 PRO 17 HG2 PRO 17 4.068 -4.348 -2.579 122 HG3 PRO 17 HG1 PRO 17 4.730 -4.567 -4.212 123 HD2 PRO 17 HD2 PRO 17 4.792 -2.189 -2.931 124 HD3 PRO 17 HD1 PRO 17 4.654 -2.326 -4.692 125 H VAL 18 HN VAL 18 2.687 -2.601 -1.425 126 HA VAL 18 HA VAL 18 0.862 -4.171 0.089 127 HB VAL 18 HB VAL 18 2.824 -2.028 0.911 128 HG11 VAL 18 HG11 VAL 18 1.047 -2.104 2.561 129 HG12 VAL 18 HG12 VAL 18 2.516 -2.827 3.215 130 HG13 VAL 18 HG13 VAL 18 1.193 -3.858 2.670 131 HG21 VAL 18 HG21 VAL 18 4.246 -3.808 1.567 132 HG22 VAL 18 HG22 VAL 18 3.662 -4.206 -0.048 133 HG23 VAL 18 HG23 VAL 18 2.963 -5.001 1.362 134 H ILE 19 HN ILE 19 1.191 -0.679 -0.431 135 HA ILE 19 HA ILE 19 -1.039 0.045 1.169 136 HB ILE 19 HB ILE 19 0.228 1.632 -1.066 137 HG12 ILE 19 HG12 ILE 19 0.887 1.909 1.855 138 HG13 ILE 19 HG11 ILE 19 1.737 0.742 0.848 139 HG21 ILE 19 HG21 ILE 19 -1.397 2.491 1.325 140 HG22 ILE 19 HG22 ILE 19 -1.925 2.506 -0.358 141 HG23 ILE 19 HG23 ILE 19 -0.625 3.574 0.167 142 HD11 ILE 19 HD11 ILE 19 1.603 3.705 0.347 143 HD12 ILE 19 HD12 ILE 19 2.496 2.522 -0.609 144 HD13 ILE 19 HD13 ILE 19 2.963 2.839 1.061 145 H ALA 20 HN ALA 20 -0.577 -0.468 -2.302 146 HA ALA 20 HA ALA 20 -3.119 0.380 -3.145 147 HB1 ALA 20 HB1 ALA 20 -2.650 -0.771 -5.208 148 HB2 ALA 20 HB2 ALA 20 -1.387 -1.727 -4.432 149 HB3 ALA 20 HB3 ALA 20 -1.175 0.012 -4.638 150 H GLY 21 HN GLY 21 -1.951 -2.720 -1.946 151 HA2 GLY 21 HA2 GLY 21 -4.272 -4.221 -2.599 152 HA3 GLY 21 HA1 GLY 21 -3.049 -4.671 -1.419 153 H ILE 22 HN ILE 22 -3.238 -2.600 0.391 154 HA ILE 22 HA ILE 22 -5.513 -3.372 1.899 155 HB ILE 22 HB ILE 22 -3.678 -1.010 2.340 156 HG12 ILE 22 HG12 ILE 22 -3.582 -3.752 3.613 157 HG13 ILE 22 HG11 ILE 22 -2.570 -3.270 2.256 158 HG21 ILE 22 HG21 ILE 22 -4.451 -1.120 4.663 159 HG22 ILE 22 HG22 ILE 22 -5.569 -2.413 4.227 160 HG23 ILE 22 HG23 ILE 22 -5.781 -0.798 3.551 161 HD11 ILE 22 HD11 ILE 22 -1.589 -1.501 3.639 162 HD12 ILE 22 HD12 ILE 22 -1.349 -3.104 4.332 163 HD13 ILE 22 HD13 ILE 22 -2.580 -2.031 4.998 164 H LEU 23 HN LEU 23 -4.763 -0.599 -0.129 165 HA LEU 23 HA LEU 23 -6.927 1.037 0.598 166 HB2 LEU 23 HB2 LEU 23 -5.091 1.956 -0.643 167 HB3 LEU 23 HB1 LEU 23 -5.346 0.828 -1.960 168 HG LEU 23 HG LEU 23 -7.432 1.935 -2.551 169 HD11 LEU 23 HD11 LEU 23 -8.072 4.044 -1.448 170 HD12 LEU 23 HD12 LEU 23 -6.819 3.769 -0.238 171 HD13 LEU 23 HD13 LEU 23 -8.180 2.654 -0.369 172 HD21 LEU 23 HD21 LEU 23 -5.153 3.879 -2.209 173 HD22 LEU 23 HD22 LEU 23 -6.511 4.061 -3.320 174 HD23 LEU 23 HD23 LEU 23 -5.358 2.746 -3.545 175 H ALA 24 HN ALA 24 -6.599 -1.538 -1.779 176 HA ALA 24 HA ALA 24 -9.064 -1.214 -3.080 177 HB1 ALA 24 HB1 ALA 24 -7.330 -2.608 -4.013 178 HB2 ALA 24 HB2 ALA 24 -8.782 -3.577 -3.755 179 HB3 ALA 24 HB3 ALA 24 -7.424 -3.705 -2.636 180 H SER 25 HN SER 25 -8.179 -2.891 -0.117 181 HA SER 25 HA SER 25 -10.613 -4.264 0.276 182 HB2 SER 25 HB2 SER 25 -8.607 -4.878 1.520 183 HB3 SER 25 HB1 SER 25 -8.572 -3.294 2.294 184 HG SER 25 HG SER 25 -10.056 -3.930 3.647 185 H MET 26 HN MET 26 -9.502 -1.045 1.186 186 HA MET 26 HA MET 26 -11.771 -0.400 2.778 187 HB2 MET 26 HB2 MET 26 -9.774 1.406 1.398 188 HB3 MET 26 HB1 MET 26 -10.956 1.934 2.587 189 HG2 MET 26 HG2 MET 26 -9.892 0.304 4.187 190 HG3 MET 26 HG1 MET 26 -8.603 0.118 3.001 191 HE1 MET 26 HE1 MET 26 -8.368 3.060 1.806 192 HE2 MET 26 HE2 MET 26 -6.980 2.069 2.257 193 HE3 MET 26 HE3 MET 26 -7.107 3.729 2.841 194 H ILE 27 HN ILE 27 -10.961 0.066 -0.637 195 HA ILE 27 HA ILE 27 -13.131 1.729 -1.287 196 HB ILE 27 HB ILE 27 -11.739 -0.313 -3.031 197 HG12 ILE 27 HG12 ILE 27 -11.318 2.672 -2.752 198 HG13 ILE 27 HG11 ILE 27 -10.250 1.429 -2.111 199 HG21 ILE 27 HG21 ILE 27 -13.918 0.271 -3.939 200 HG22 ILE 27 HG22 ILE 27 -12.634 0.978 -4.920 201 HG23 ILE 27 HG23 ILE 27 -13.538 1.987 -3.792 202 HD11 ILE 27 HD11 ILE 27 -9.321 2.310 -4.133 203 HD12 ILE 27 HD12 ILE 27 -10.822 2.002 -5.006 204 HD13 ILE 27 HD13 ILE 27 -9.848 0.651 -4.423 205 H VAL 28 HN VAL 28 -12.782 -1.777 -1.166 206 HA VAL 28 HA VAL 28 -15.383 -2.383 -2.116 207 HB VAL 28 HB VAL 28 -13.511 -4.041 -0.421 208 HG11 VAL 28 HG11 VAL 28 -16.016 -4.822 -1.908 209 HG12 VAL 28 HG12 VAL 28 -15.755 -4.872 -0.165 210 HG13 VAL 28 HG13 VAL 28 -14.858 -5.962 -1.222 211 HG21 VAL 28 HG21 VAL 28 -12.601 -3.411 -2.613 212 HG22 VAL 28 HG22 VAL 28 -14.032 -4.086 -3.393 213 HG23 VAL 28 HG23 VAL 28 -12.927 -5.141 -2.512 214 H ASN 29 HN ASN 29 -14.026 -2.408 1.197 215 HA ASN 29 HA ASN 29 -16.441 -3.006 2.478 216 HB2 ASN 29 HB2 ASN 29 -15.360 -2.345 4.541 217 HB3 ASN 29 HB1 ASN 29 -14.222 -3.235 3.550 218 HD21 ASN 29 HD21 ASN 29 -12.452 -2.419 4.561 219 HD22 ASN 29 HD22 ASN 29 -11.946 -0.775 4.404 220 H TRP 30 HN TRP 30 -15.199 -0.019 1.236 221 HA TRP 30 HA TRP 30 -16.918 1.716 2.701 222 HB2 TRP 30 HB2 TRP 30 -15.056 2.800 1.799 223 HB3 TRP 30 HB1 TRP 30 -15.217 1.996 0.243 224 HD1 TRP 30 HD1 TRP 30 -17.456 4.470 2.260 225 HE1 TRP 30 HE1 TRP 30 -18.302 6.264 0.620 226 HE3 TRP 30 HE3 TRP 30 -15.235 2.770 -2.018 227 HZ2 TRP 30 HZ2 TRP 30 -18.062 6.876 -2.127 228 HZ3 TRP 30 HZ3 TRP 30 -15.593 4.013 -4.109 229 HH2 TRP 30 HH2 TRP 30 -16.978 6.026 -4.161 230 H LEU 31 HN LEU 31 -17.021 0.430 -0.615 231 HA LEU 31 HA LEU 31 -19.542 1.510 -1.261 232 HB2 LEU 31 HB2 LEU 31 -17.845 -0.672 -2.397 233 HB3 LEU 31 HB1 LEU 31 -19.489 -0.463 -2.974 234 HG LEU 31 HG LEU 31 -17.462 1.767 -2.986 235 HD11 LEU 31 HD11 LEU 31 -18.164 -0.145 -5.206 236 HD12 LEU 31 HD12 LEU 31 -16.625 -0.070 -4.348 237 HD13 LEU 31 HD13 LEU 31 -17.140 1.282 -5.356 238 HD21 LEU 31 HD21 LEU 31 -20.042 1.375 -4.499 239 HD22 LEU 31 HD22 LEU 31 -18.980 2.780 -4.583 240 HD23 LEU 31 HD23 LEU 31 -19.834 2.409 -3.086 241 H ASN 32 HN ASN 32 -18.565 -1.333 0.463 242 HA ASN 32 HA ASN 32 -20.960 -2.816 0.230 243 HB2 ASN 32 HB2 ASN 32 -18.722 -2.878 2.248 244 HB3 ASN 32 HB1 ASN 32 -20.093 -3.979 2.320 245 HD21 ASN 32 HD21 ASN 32 -20.335 -4.153 -0.576 246 HD22 ASN 32 HD22 ASN 32 -19.030 -5.153 -1.106 247 H LYS 33 HN LYS 33 -19.852 -0.427 2.601 248 HA LYS 33 HA LYS 33 -22.106 -0.796 4.322 249 HB2 LYS 33 HB2 LYS 33 -21.267 1.053 5.586 250 HB3 LYS 33 HB1 LYS 33 -19.896 0.071 5.091 251 HG2 LYS 33 HG2 LYS 33 -18.949 1.796 4.078 252 HG3 LYS 33 HG1 LYS 33 -20.410 2.120 3.143 253 HD2 LYS 33 HD2 LYS 33 -21.344 3.331 5.079 254 HD3 LYS 33 HD1 LYS 33 -19.834 3.059 5.950 255 HE2 LYS 33 HE2 LYS 33 -19.908 5.296 4.964 256 HE3 LYS 33 HE1 LYS 33 -18.614 4.324 4.266 257 HZ1 LYS 33 HZ1 LYS 33 -19.995 3.899 2.344 258 HZ2 LYS 33 HZ2 LYS 33 -19.840 5.567 2.581 259 HZ3 LYS 33 HZ3 LYS 33 -21.272 4.781 3.020 260 H ARG 34 HN ARG 34 -21.361 1.339 1.635 261 HA ARG 34 HA ARG 34 -23.805 2.864 2.075 262 HB2 ARG 34 HB2 ARG 34 -23.067 4.258 0.214 263 HB3 ARG 34 HB1 ARG 34 -21.784 4.080 1.402 264 HG2 ARG 34 HG2 ARG 34 -20.503 2.749 0.014 265 HG3 ARG 34 HG1 ARG 34 -21.885 2.271 -0.972 266 HD2 ARG 34 HD2 ARG 34 -20.360 3.849 -2.119 267 HD3 ARG 34 HD1 ARG 34 -22.006 4.459 -1.958 268 HE ARG 34 HE ARG 34 -20.203 5.287 0.138 269 HH11 ARG 34 HH11 ARG 34 -21.525 6.019 -3.003 270 HH12 ARG 34 HH12 ARG 34 -21.187 7.714 -2.893 271 HH21 ARG 34 HH21 ARG 34 -19.755 7.521 0.289 272 HH22 ARG 34 HH22 ARG 34 -20.182 8.566 -1.024 273 H LYS 35 HN LYS 35 -23.070 -0.020 0.730 274 HA LYS 35 HA LYS 35 -24.084 -1.427 -0.739 275 HB2 LYS 35 HB2 LYS 35 -26.418 0.476 -0.479 276 HB3 LYS 35 HB1 LYS 35 -26.489 -1.191 -1.031 277 HG2 LYS 35 HG2 LYS 35 -25.698 -0.290 1.733 278 HG3 LYS 35 HG1 LYS 35 -27.264 -0.959 1.271 279 HD2 LYS 35 HD2 LYS 35 -24.645 -2.421 0.955 280 HD3 LYS 35 HD1 LYS 35 -25.710 -2.595 2.351 281 HE2 LYS 35 HE2 LYS 35 -27.513 -3.346 0.857 282 HE3 LYS 35 HE1 LYS 35 -26.418 -3.206 -0.518 283 HZ1 LYS 35 HZ1 LYS 35 -26.552 -5.482 0.252 284 HZ2 LYS 35 HZ2 LYS 35 -26.065 -5.022 1.805 285 HZ3 LYS 35 HZ3 LYS 35 -24.993 -4.877 0.506 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 26.400 -1.159 -4.550 2 H2 MET 1 HT2 MET 1 25.908 -1.994 -3.163 3 H3 MET 1 HT3 MET 1 27.349 -1.109 -3.150 4 HA MET 1 HA MET 1 26.191 0.945 -3.351 5 HB2 MET 1 HB2 MET 1 23.769 1.054 -3.426 6 HB3 MET 1 HB1 MET 1 24.358 0.085 -4.768 7 HG2 MET 1 HG2 MET 1 23.337 -1.093 -2.198 8 HG3 MET 1 HG1 MET 1 22.320 -0.789 -3.605 9 HE1 MET 1 HE1 MET 1 22.619 -2.012 -5.940 10 HE2 MET 1 HE2 MET 1 23.906 -3.168 -6.281 11 HE3 MET 1 HE3 MET 1 24.297 -1.471 -6.004 12 H THR 2 HN THR 2 24.362 1.726 -1.619 13 HA THR 2 HA THR 2 25.355 0.669 0.926 14 HB THR 2 HB THR 2 23.650 2.962 1.242 15 HG1 THR 2 HG1 THR 2 24.201 3.517 -0.879 16 HG21 THR 2 HG21 THR 2 25.646 3.916 2.265 17 HG22 THR 2 HG22 THR 2 26.632 2.626 1.575 18 HG23 THR 2 HG23 THR 2 25.414 2.249 2.794 19 H PHE 3 HN PHE 3 24.071 -0.223 2.449 20 HA PHE 3 HA PHE 3 21.597 -1.324 1.700 21 HB2 PHE 3 HB2 PHE 3 23.282 -2.078 3.530 22 HB3 PHE 3 HB1 PHE 3 22.402 -0.961 4.570 23 HD1 PHE 3 HD1 PHE 3 20.836 -1.955 5.910 24 HD2 PHE 3 HD2 PHE 3 21.540 -3.540 2.028 25 HE1 PHE 3 HE1 PHE 3 19.129 -3.682 6.315 26 HE2 PHE 3 HE2 PHE 3 19.833 -5.276 2.422 27 HZ PHE 3 HZ PHE 3 18.626 -5.346 4.568 28 H ALA 4 HN ALA 4 22.462 1.589 3.454 29 HA ALA 4 HA ALA 4 19.846 2.198 4.384 30 HB1 ALA 4 HB1 ALA 4 22.194 4.038 3.928 31 HB2 ALA 4 HB2 ALA 4 21.841 3.159 5.415 32 HB3 ALA 4 HB3 ALA 4 20.745 4.422 4.856 33 H GLU 5 HN GLU 5 21.708 3.097 1.522 34 HA GLU 5 HA GLU 5 19.778 4.904 0.480 35 HB2 GLU 5 HB2 GLU 5 22.071 3.435 -0.824 36 HB3 GLU 5 HB1 GLU 5 21.079 4.625 -1.658 37 HG2 GLU 5 HG2 GLU 5 22.723 5.152 0.807 38 HG3 GLU 5 HG1 GLU 5 23.193 5.559 -0.843 39 H LEU 6 HN LEU 6 20.305 1.452 0.187 40 HA LEU 6 HA LEU 6 18.276 1.195 -1.883 41 HB2 LEU 6 HB2 LEU 6 20.423 -0.176 -1.781 42 HB3 LEU 6 HB1 LEU 6 19.697 -1.030 -0.431 43 HG LEU 6 HG LEU 6 18.060 -0.916 -2.888 44 HD11 LEU 6 HD11 LEU 6 19.315 -2.719 -3.962 45 HD12 LEU 6 HD12 LEU 6 20.574 -2.574 -2.735 46 HD13 LEU 6 HD13 LEU 6 20.274 -1.243 -3.851 47 HD21 LEU 6 HD21 LEU 6 17.676 -3.275 -2.260 48 HD22 LEU 6 HD22 LEU 6 17.305 -2.153 -0.953 49 HD23 LEU 6 HD23 LEU 6 18.805 -3.077 -0.920 50 H GLY 7 HN GLY 7 18.445 1.269 1.491 51 HA2 GLY 7 HA2 GLY 7 16.405 -0.599 2.138 52 HA3 GLY 7 HA1 GLY 7 16.972 0.707 3.166 53 H MET 8 HN MET 8 16.355 2.921 1.664 54 HA MET 8 HA MET 8 13.558 3.152 2.159 55 HB2 MET 8 HB2 MET 8 15.451 5.044 0.747 56 HB3 MET 8 HB1 MET 8 13.821 5.444 1.270 57 HG2 MET 8 HG2 MET 8 16.102 4.658 3.068 58 HG3 MET 8 HG1 MET 8 15.504 6.296 2.810 59 HE1 MET 8 HE1 MET 8 15.287 6.579 5.453 60 HE2 MET 8 HE2 MET 8 15.847 4.925 5.700 61 HE3 MET 8 HE3 MET 8 14.367 5.481 6.482 62 H ALA 9 HN ALA 9 15.531 2.980 -0.781 63 HA ALA 9 HA ALA 9 13.450 3.379 -2.628 64 HB1 ALA 9 HB1 ALA 9 14.960 2.463 -4.285 65 HB2 ALA 9 HB2 ALA 9 15.976 1.777 -3.017 66 HB3 ALA 9 HB3 ALA 9 15.844 3.528 -3.191 67 H PHE 10 HN PHE 10 14.811 0.412 -1.250 68 HA PHE 10 HA PHE 10 13.142 -1.357 -2.710 69 HB2 PHE 10 HB2 PHE 10 15.154 -2.270 -1.886 70 HB3 PHE 10 HB1 PHE 10 14.868 -1.658 -0.263 71 HD1 PHE 10 HD1 PHE 10 14.804 -3.447 1.151 72 HD2 PHE 10 HD2 PHE 10 12.704 -3.677 -2.545 73 HE1 PHE 10 HE1 PHE 10 13.866 -5.620 1.823 74 HE2 PHE 10 HE2 PHE 10 11.764 -5.851 -1.879 75 HZ PHE 10 HZ PHE 10 12.344 -6.826 0.306 76 H TRP 11 HN TRP 11 12.967 -0.088 0.622 77 HA TRP 11 HA TRP 11 10.649 -1.492 1.350 78 HB2 TRP 11 HB2 TRP 11 12.121 0.847 2.407 79 HB3 TRP 11 HB1 TRP 11 10.434 0.708 2.891 80 HD1 TRP 11 HD1 TRP 11 13.776 -0.409 3.908 81 HE1 TRP 11 HE1 TRP 11 13.626 -2.333 5.611 82 HE3 TRP 11 HE3 TRP 11 8.848 -1.633 3.319 83 HZ2 TRP 11 HZ2 TRP 11 11.679 -4.134 6.574 84 HZ3 TRP 11 HZ3 TRP 11 7.920 -3.470 4.667 85 HH2 TRP 11 HH2 TRP 11 9.308 -4.694 6.260 86 H HIS 12 HN HIS 12 11.061 1.689 -0.139 87 HA HIS 12 HA HIS 12 8.317 2.390 -0.088 88 HB2 HIS 12 HB2 HIS 12 10.649 3.369 -1.729 89 HB3 HIS 12 HB1 HIS 12 9.025 4.019 -1.929 90 HD1 HIS 12 HD1 HIS 12 10.368 3.174 1.483 91 HD2 HIS 12 HD2 HIS 12 9.697 6.497 -0.917 92 HE1 HIS 12 HE1 HIS 12 10.662 5.196 2.973 93 H ASP 13 HN ASP 13 10.359 0.780 -2.478 94 HA ASP 13 HA ASP 13 8.457 0.719 -4.558 95 HB2 ASP 13 HB2 ASP 13 10.825 0.339 -4.987 96 HB3 ASP 13 HB1 ASP 13 10.790 -1.124 -4.007 97 H LEU 14 HN LEU 14 9.241 -1.609 -1.992 98 HA LEU 14 HA LEU 14 7.324 -3.529 -2.888 99 HB2 LEU 14 HB2 LEU 14 7.934 -4.840 -1.067 100 HB3 LEU 14 HB1 LEU 14 9.400 -3.995 -1.507 101 HG LEU 14 HG LEU 14 8.572 -2.313 0.372 102 HD11 LEU 14 HD11 LEU 14 7.455 -3.411 2.178 103 HD12 LEU 14 HD12 LEU 14 7.475 -4.952 1.318 104 HD13 LEU 14 HD13 LEU 14 6.481 -3.623 0.721 105 HD21 LEU 14 HD21 LEU 14 10.711 -3.413 0.394 106 HD22 LEU 14 HD22 LEU 14 9.962 -4.949 0.826 107 HD23 LEU 14 HD23 LEU 14 9.954 -3.611 1.973 108 H ALA 15 HN ALA 15 7.276 -0.824 -0.706 109 HA ALA 15 HA ALA 15 4.867 -1.509 0.639 110 HB1 ALA 15 HB1 ALA 15 6.133 1.205 0.310 111 HB2 ALA 15 HB2 ALA 15 6.519 0.041 1.578 112 HB3 ALA 15 HB3 ALA 15 4.908 0.754 1.497 113 H ALA 16 HN ALA 16 5.590 0.303 -2.289 114 HA ALA 16 HA ALA 16 3.266 1.693 -2.704 115 HB1 ALA 16 HB1 ALA 16 4.781 0.237 -4.865 116 HB2 ALA 16 HB2 ALA 16 5.269 1.776 -4.157 117 HB3 ALA 16 HB3 ALA 16 3.755 1.659 -5.055 118 HA PRO 17 HA PRO 17 1.078 -2.117 -4.689 119 HB2 PRO 17 HB2 PRO 17 2.172 -4.577 -4.353 120 HB3 PRO 17 HB1 PRO 17 2.608 -3.521 -5.711 121 HG2 PRO 17 HG2 PRO 17 4.073 -4.006 -3.162 122 HG3 PRO 17 HG1 PRO 17 4.697 -3.882 -4.819 123 HD2 PRO 17 HD2 PRO 17 4.827 -1.834 -3.054 124 HD3 PRO 17 HD1 PRO 17 4.675 -1.593 -4.804 125 H VAL 18 HN VAL 18 2.739 -2.480 -1.633 126 HA VAL 18 HA VAL 18 0.909 -4.298 -0.434 127 HB VAL 18 HB VAL 18 2.922 -2.393 0.763 128 HG11 VAL 18 HG11 VAL 18 1.213 -4.453 2.152 129 HG12 VAL 18 HG12 VAL 18 1.194 -2.709 2.412 130 HG13 VAL 18 HG13 VAL 18 2.609 -3.654 2.874 131 HG21 VAL 18 HG21 VAL 18 3.709 -4.364 -0.594 132 HG22 VAL 18 HG22 VAL 18 2.984 -5.401 0.636 133 HG23 VAL 18 HG23 VAL 18 4.298 -4.305 1.067 134 H ILE 19 HN ILE 19 1.294 -0.778 -0.233 135 HA ILE 19 HA ILE 19 -0.913 -0.365 1.502 136 HB ILE 19 HB ILE 19 0.375 1.629 -0.365 137 HG12 ILE 19 HG12 ILE 19 1.053 1.267 2.543 138 HG13 ILE 19 HG11 ILE 19 1.873 0.324 1.303 139 HG21 ILE 19 HG21 ILE 19 -0.431 3.288 1.253 140 HG22 ILE 19 HG22 ILE 19 -1.213 2.002 2.172 141 HG23 ILE 19 HG23 ILE 19 -1.759 2.375 0.538 142 HD11 ILE 19 HD11 ILE 19 2.688 2.342 0.263 143 HD12 ILE 19 HD12 ILE 19 3.130 2.316 1.970 144 HD13 ILE 19 HD13 ILE 19 1.794 3.329 1.420 145 H ALA 20 HN ALA 20 -0.495 -0.166 -2.008 146 HA ALA 20 HA ALA 20 -3.045 0.867 -2.612 147 HB1 ALA 20 HB1 ALA 20 -1.152 0.877 -4.186 148 HB2 ALA 20 HB2 ALA 20 -2.604 0.166 -4.890 149 HB3 ALA 20 HB3 ALA 20 -1.290 -0.874 -4.342 150 H GLY 21 HN GLY 21 -1.854 -2.447 -2.273 151 HA2 GLY 21 HA2 GLY 21 -4.153 -3.771 -3.211 152 HA3 GLY 21 HA1 GLY 21 -2.959 -4.453 -2.117 153 H ILE 22 HN ILE 22 -3.223 -2.814 0.080 154 HA ILE 22 HA ILE 22 -5.527 -3.896 1.332 155 HB ILE 22 HB ILE 22 -3.743 -1.662 2.312 156 HG12 ILE 22 HG12 ILE 22 -3.575 -4.620 2.922 157 HG13 ILE 22 HG11 ILE 22 -2.563 -3.806 1.735 158 HG21 ILE 22 HG21 ILE 22 -4.524 -2.344 4.543 159 HG22 ILE 22 HG22 ILE 22 -5.626 -3.496 3.790 160 HG23 ILE 22 HG23 ILE 22 -5.842 -1.766 3.523 161 HD11 ILE 22 HD11 ILE 22 -1.398 -4.116 3.845 162 HD12 ILE 22 HD12 ILE 22 -2.650 -3.198 4.681 163 HD13 ILE 22 HD13 ILE 22 -1.622 -2.404 3.488 164 H LEU 23 HN LEU 23 -4.745 -0.765 -0.049 165 HA LEU 23 HA LEU 23 -6.934 0.690 0.942 166 HB2 LEU 23 HB2 LEU 23 -5.040 1.817 -0.029 167 HB3 LEU 23 HB1 LEU 23 -5.294 1.017 -1.568 168 HG LEU 23 HG LEU 23 -7.399 2.253 -1.863 169 HD11 LEU 23 HD11 LEU 23 -8.005 2.562 0.470 170 HD12 LEU 23 HD12 LEU 23 -7.935 4.116 -0.361 171 HD13 LEU 23 HD13 LEU 23 -6.619 3.626 0.706 172 HD21 LEU 23 HD21 LEU 23 -6.406 4.442 -2.272 173 HD22 LEU 23 HD22 LEU 23 -5.318 3.148 -2.772 174 HD23 LEU 23 HD23 LEU 23 -5.025 4.012 -1.263 175 H ALA 24 HN ALA 24 -6.558 -1.419 -1.835 176 HA ALA 24 HA ALA 24 -8.914 -0.762 -3.209 177 HB1 ALA 24 HB1 ALA 24 -7.107 -2.082 -4.194 178 HB2 ALA 24 HB2 ALA 24 -8.654 -2.919 -4.319 179 HB3 ALA 24 HB3 ALA 24 -7.480 -3.413 -3.099 180 H SER 25 HN SER 25 -8.288 -3.249 -0.753 181 HA SER 25 HA SER 25 -10.844 -4.387 -0.719 182 HB2 SER 25 HB2 SER 25 -8.872 -5.414 0.361 183 HB3 SER 25 HB1 SER 25 -8.884 -4.137 1.577 184 HG SER 25 HG SER 25 -11.026 -4.868 2.126 185 H MET 26 HN MET 26 -9.536 -1.545 0.858 186 HA MET 26 HA MET 26 -11.726 -1.112 2.621 187 HB2 MET 26 HB2 MET 26 -9.678 0.840 1.548 188 HB3 MET 26 HB1 MET 26 -10.774 1.153 2.886 189 HG2 MET 26 HG2 MET 26 -9.725 -0.530 4.218 190 HG3 MET 26 HG1 MET 26 -8.730 -1.050 2.861 191 HE1 MET 26 HE1 MET 26 -8.282 3.094 4.853 192 HE2 MET 26 HE2 MET 26 -9.538 1.934 5.289 193 HE3 MET 26 HE3 MET 26 -9.564 2.707 3.705 194 H ILE 27 HN ILE 27 -10.879 0.158 -0.579 195 HA ILE 27 HA ILE 27 -13.011 1.959 -0.822 196 HB ILE 27 HB ILE 27 -11.579 0.410 -2.988 197 HG12 ILE 27 HG12 ILE 27 -11.219 3.243 -1.980 198 HG13 ILE 27 HG11 ILE 27 -10.139 1.896 -1.642 199 HG21 ILE 27 HG21 ILE 27 -12.450 2.132 -4.525 200 HG22 ILE 27 HG22 ILE 27 -13.423 2.788 -3.208 201 HG23 ILE 27 HG23 ILE 27 -13.732 1.158 -3.806 202 HD11 ILE 27 HD11 ILE 27 -9.615 1.726 -4.021 203 HD12 ILE 27 HD12 ILE 27 -9.238 3.324 -3.376 204 HD13 ILE 27 HD13 ILE 27 -10.690 3.085 -4.348 205 H VAL 28 HN VAL 28 -12.746 -1.481 -1.595 206 HA VAL 28 HA VAL 28 -15.335 -1.726 -2.729 207 HB VAL 28 HB VAL 28 -13.648 -3.871 -1.427 208 HG11 VAL 28 HG11 VAL 28 -14.984 -5.449 -2.677 209 HG12 VAL 28 HG12 VAL 28 -15.906 -4.138 -3.411 210 HG13 VAL 28 HG13 VAL 28 -16.043 -4.451 -1.681 211 HG21 VAL 28 HG21 VAL 28 -12.526 -2.682 -3.291 212 HG22 VAL 28 HG22 VAL 28 -13.870 -3.128 -4.343 213 HG23 VAL 28 HG23 VAL 28 -12.844 -4.380 -3.643 214 H ASN 29 HN ASN 29 -14.070 -2.351 0.543 215 HA ASN 29 HA ASN 29 -16.493 -3.303 1.609 216 HB2 ASN 29 HB2 ASN 29 -15.477 -3.173 3.739 217 HB3 ASN 29 HB1 ASN 29 -14.172 -3.530 2.629 218 HD21 ASN 29 HD21 ASN 29 -12.684 -2.792 4.125 219 HD22 ASN 29 HD22 ASN 29 -12.441 -1.107 4.423 220 H TRP 30 HN TRP 30 -15.329 -0.114 0.971 221 HA TRP 30 HA TRP 30 -17.131 1.293 2.665 222 HB2 TRP 30 HB2 TRP 30 -15.268 2.544 2.031 223 HB3 TRP 30 HB1 TRP 30 -15.363 2.023 0.354 224 HD1 TRP 30 HD1 TRP 30 -17.713 4.086 2.686 225 HE1 TRP 30 HE1 TRP 30 -18.529 6.130 1.348 226 HE3 TRP 30 HE3 TRP 30 -15.309 3.171 -1.725 227 HZ2 TRP 30 HZ2 TRP 30 -18.191 7.210 -1.242 228 HZ3 TRP 30 HZ3 TRP 30 -15.602 4.754 -3.585 229 HH2 TRP 30 HH2 TRP 30 -17.016 6.732 -3.347 230 H LEU 31 HN LEU 31 -17.123 0.613 -0.826 231 HA LEU 31 HA LEU 31 -19.642 1.761 -1.351 232 HB2 LEU 31 HB2 LEU 31 -17.872 -0.154 -2.805 233 HB3 LEU 31 HB1 LEU 31 -19.496 0.150 -3.396 234 HG LEU 31 HG LEU 31 -17.526 2.368 -2.891 235 HD11 LEU 31 HD11 LEU 31 -16.569 0.808 -4.516 236 HD12 LEU 31 HD12 LEU 31 -17.025 2.336 -5.268 237 HD13 LEU 31 HD13 LEU 31 -18.044 0.911 -5.477 238 HD21 LEU 31 HD21 LEU 31 -18.980 3.621 -4.380 239 HD22 LEU 31 HD22 LEU 31 -19.896 2.981 -3.016 240 HD23 LEU 31 HD23 LEU 31 -20.008 2.205 -4.595 241 H ASN 32 HN ASN 32 -18.687 -1.363 -0.165 242 HA ASN 32 HA ASN 32 -21.110 -2.728 -0.763 243 HB2 ASN 32 HB2 ASN 32 -18.789 -3.307 1.056 244 HB3 ASN 32 HB1 ASN 32 -20.215 -4.340 1.042 245 HD21 ASN 32 HD21 ASN 32 -19.081 -2.717 -1.823 246 HD22 ASN 32 HD22 ASN 32 -18.514 -4.131 -2.637 247 H LYS 33 HN LYS 33 -19.929 -0.988 2.084 248 HA LYS 33 HA LYS 33 -22.223 -1.723 3.661 249 HB2 LYS 33 HB2 LYS 33 -21.264 -0.311 5.393 250 HB3 LYS 33 HB1 LYS 33 -20.036 -1.368 4.715 251 HG2 LYS 33 HG2 LYS 33 -18.833 0.537 4.716 252 HG3 LYS 33 HG1 LYS 33 -19.650 0.778 3.172 253 HD2 LYS 33 HD2 LYS 33 -21.423 2.047 4.397 254 HD3 LYS 33 HD1 LYS 33 -20.425 1.928 5.848 255 HE2 LYS 33 HE2 LYS 33 -19.630 3.237 3.249 256 HE3 LYS 33 HE1 LYS 33 -20.114 4.075 4.723 257 HZ1 LYS 33 HZ1 LYS 33 -18.200 3.145 5.850 258 HZ2 LYS 33 HZ2 LYS 33 -17.707 3.995 4.474 259 HZ3 LYS 33 HZ3 LYS 33 -17.745 2.304 4.454 260 H ARG 34 HN ARG 34 -21.169 1.155 1.884 261 HA ARG 34 HA ARG 34 -23.316 2.788 2.800 262 HB2 ARG 34 HB2 ARG 34 -22.604 4.399 1.173 263 HB3 ARG 34 HB1 ARG 34 -21.172 3.687 1.901 264 HG2 ARG 34 HG2 ARG 34 -20.742 2.374 -0.038 265 HG3 ARG 34 HG1 ARG 34 -22.305 2.799 -0.740 266 HD2 ARG 34 HD2 ARG 34 -20.005 4.675 -0.212 267 HD3 ARG 34 HD1 ARG 34 -20.528 4.079 -1.786 268 HE ARG 34 HE ARG 34 -22.607 5.437 -0.360 269 HH11 ARG 34 HH11 ARG 34 -19.834 5.863 -2.422 270 HH12 ARG 34 HH12 ARG 34 -20.368 7.388 -3.044 271 HH21 ARG 34 HH21 ARG 34 -23.321 7.444 -1.171 272 HH22 ARG 34 HH22 ARG 34 -22.353 8.288 -2.333 273 H LYS 35 HN LYS 35 -22.780 0.796 -0.056 274 HA LYS 35 HA LYS 35 -24.122 0.402 -1.893 275 HB2 LYS 35 HB2 LYS 35 -26.198 -0.845 -1.133 276 HB3 LYS 35 HB1 LYS 35 -24.657 -1.441 -0.533 277 HG2 LYS 35 HG2 LYS 35 -25.147 -0.004 1.542 278 HG3 LYS 35 HG1 LYS 35 -26.804 0.038 0.937 279 HD2 LYS 35 HD2 LYS 35 -26.857 -2.411 0.934 280 HD3 LYS 35 HD1 LYS 35 -25.202 -2.445 1.546 281 HE2 LYS 35 HE2 LYS 35 -25.963 -1.198 3.544 282 HE3 LYS 35 HE1 LYS 35 -27.617 -1.300 2.942 283 HZ1 LYS 35 HZ1 LYS 35 -27.168 -3.024 4.564 284 HZ2 LYS 35 HZ2 LYS 35 -25.881 -3.606 3.635 285 HZ3 LYS 35 HZ3 LYS 35 -27.462 -3.711 3.046 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -26.262 -2.493 3.168 2 H2 MET 1 HT2 MET 1 -27.473 -1.351 2.866 3 H3 MET 1 HT3 MET 1 -26.810 -1.489 4.416 4 HA MET 1 HA MET 1 -25.957 0.452 3.259 5 HB2 MET 1 HB2 MET 1 -24.579 -1.224 4.815 6 HB3 MET 1 HB1 MET 1 -23.639 -1.415 3.342 7 HG2 MET 1 HG2 MET 1 -24.235 1.243 4.598 8 HG3 MET 1 HG1 MET 1 -22.787 0.296 4.937 9 HE1 MET 1 HE1 MET 1 -20.907 1.657 4.182 10 HE2 MET 1 HE2 MET 1 -22.021 3.023 4.114 11 HE3 MET 1 HE3 MET 1 -20.905 2.726 2.779 12 H THR 2 HN THR 2 -25.127 1.380 1.450 13 HA THR 2 HA THR 2 -25.466 0.064 -1.022 14 HB THR 2 HB THR 2 -23.881 2.205 -1.653 15 HG1 THR 2 HG1 THR 2 -25.149 3.735 -0.019 16 HG21 THR 2 HG21 THR 2 -26.850 2.229 -1.091 17 HG22 THR 2 HG22 THR 2 -26.083 1.718 -2.594 18 HG23 THR 2 HG23 THR 2 -25.982 3.402 -2.081 19 H PHE 3 HN PHE 3 -24.144 -1.151 -2.187 20 HA PHE 3 HA PHE 3 -21.654 -2.029 -1.203 21 HB2 PHE 3 HB2 PHE 3 -23.331 -3.115 -2.911 22 HB3 PHE 3 HB1 PHE 3 -22.358 -2.260 -4.105 23 HD1 PHE 3 HD1 PHE 3 -21.883 -4.432 -1.120 24 HD2 PHE 3 HD2 PHE 3 -20.602 -3.401 -5.042 25 HE1 PHE 3 HE1 PHE 3 -20.233 -6.254 -1.053 26 HE2 PHE 3 HE2 PHE 3 -18.948 -5.224 -4.986 27 HZ PHE 3 HZ PHE 3 -18.762 -6.654 -2.988 28 H ALA 4 HN ALA 4 -22.565 0.486 -3.465 29 HA ALA 4 HA ALA 4 -19.957 0.963 -4.497 30 HB1 ALA 4 HB1 ALA 4 -21.953 1.665 -5.702 31 HB2 ALA 4 HB2 ALA 4 -20.904 3.045 -5.371 32 HB3 ALA 4 HB3 ALA 4 -22.357 2.788 -4.404 33 H GLU 5 HN GLU 5 -21.850 2.358 -1.854 34 HA GLU 5 HA GLU 5 -19.961 4.375 -1.198 35 HB2 GLU 5 HB2 GLU 5 -22.218 3.136 0.376 36 HB3 GLU 5 HB1 GLU 5 -21.238 4.466 0.979 37 HG2 GLU 5 HG2 GLU 5 -22.921 4.517 -1.516 38 HG3 GLU 5 HG1 GLU 5 -23.350 5.239 0.034 39 H LEU 6 HN LEU 6 -20.495 1.069 -0.111 40 HA LEU 6 HA LEU 6 -18.448 1.223 1.916 41 HB2 LEU 6 HB2 LEU 6 -20.526 -0.261 1.983 42 HB3 LEU 6 HB1 LEU 6 -19.708 -1.278 0.811 43 HG LEU 6 HG LEU 6 -18.136 -0.680 3.228 44 HD11 LEU 6 HD11 LEU 6 -20.607 -2.400 3.374 45 HD12 LEU 6 HD12 LEU 6 -20.336 -0.888 4.239 46 HD13 LEU 6 HD13 LEU 6 -19.349 -2.303 4.605 47 HD21 LEU 6 HD21 LEU 6 -17.593 -3.042 3.029 48 HD22 LEU 6 HD22 LEU 6 -17.397 -2.231 1.476 49 HD23 LEU 6 HD23 LEU 6 -18.816 -3.234 1.774 50 H GLY 7 HN GLY 7 -18.543 0.788 -1.420 51 HA2 GLY 7 HA2 GLY 7 -16.395 -1.048 -1.751 52 HA3 GLY 7 HA1 GLY 7 -17.023 0.043 -2.975 53 H MET 8 HN MET 8 -16.540 2.505 -1.865 54 HA MET 8 HA MET 8 -13.772 2.815 -2.415 55 HB2 MET 8 HB2 MET 8 -15.783 4.776 -1.300 56 HB3 MET 8 HB1 MET 8 -14.166 5.200 -1.848 57 HG2 MET 8 HG2 MET 8 -16.305 3.970 -3.570 58 HG3 MET 8 HG1 MET 8 -15.910 5.687 -3.513 59 HE1 MET 8 HE1 MET 8 -15.682 5.554 -6.171 60 HE2 MET 8 HE2 MET 8 -15.938 3.809 -6.193 61 HE3 MET 8 HE3 MET 8 -14.538 4.506 -7.009 62 H ALA 9 HN ALA 9 -15.675 3.048 0.578 63 HA ALA 9 HA ALA 9 -13.565 3.815 2.266 64 HB1 ALA 9 HB1 ALA 9 -16.037 2.229 2.955 65 HB2 ALA 9 HB2 ALA 9 -15.912 3.988 2.918 66 HB3 ALA 9 HB3 ALA 9 -14.990 3.063 4.103 67 H PHE 10 HN PHE 10 -14.827 0.613 1.427 68 HA PHE 10 HA PHE 10 -13.049 -0.831 3.102 69 HB2 PHE 10 HB2 PHE 10 -15.036 -1.942 2.491 70 HB3 PHE 10 HB1 PHE 10 -14.811 -1.588 0.783 71 HD1 PHE 10 HD1 PHE 10 -14.638 -3.546 -0.363 72 HD2 PHE 10 HD2 PHE 10 -12.570 -3.152 3.336 73 HE1 PHE 10 HE1 PHE 10 -13.616 -5.757 -0.704 74 HE2 PHE 10 HE2 PHE 10 -11.546 -5.364 3.003 75 HZ PHE 10 HZ PHE 10 -12.068 -6.670 0.981 76 H TRP 11 HN TRP 11 -12.997 -0.085 -0.382 77 HA TRP 11 HA TRP 11 -10.654 -1.507 -0.974 78 HB2 TRP 11 HB2 TRP 11 -12.239 0.606 -2.303 79 HB3 TRP 11 HB1 TRP 11 -10.560 0.469 -2.811 80 HD1 TRP 11 HD1 TRP 11 -13.879 -0.933 -3.543 81 HE1 TRP 11 HE1 TRP 11 -13.678 -3.055 -4.985 82 HE3 TRP 11 HE3 TRP 11 -8.874 -1.815 -2.992 83 HZ2 TRP 11 HZ2 TRP 11 -11.662 -4.864 -5.783 84 HZ3 TRP 11 HZ3 TRP 11 -7.887 -3.763 -4.128 85 HH2 TRP 11 HH2 TRP 11 -9.255 -5.256 -5.492 86 H HIS 12 HN HIS 12 -11.146 1.814 0.109 87 HA HIS 12 HA HIS 12 -8.439 2.612 -0.141 88 HB2 HIS 12 HB2 HIS 12 -10.768 3.698 1.433 89 HB3 HIS 12 HB1 HIS 12 -9.165 4.420 1.533 90 HD1 HIS 12 HD1 HIS 12 -10.554 3.154 -1.736 91 HD2 HIS 12 HD2 HIS 12 -9.896 6.744 0.250 92 HE1 HIS 12 HE1 HIS 12 -10.930 4.988 -3.438 93 H ASP 13 HN ASP 13 -10.325 1.227 2.505 94 HA ASP 13 HA ASP 13 -8.330 1.492 4.491 95 HB2 ASP 13 HB2 ASP 13 -10.704 1.114 5.023 96 HB3 ASP 13 HB1 ASP 13 -10.598 -0.502 4.330 97 H LEU 14 HN LEU 14 -9.166 -1.172 2.293 98 HA LEU 14 HA LEU 14 -7.182 -2.928 3.361 99 HB2 LEU 14 HB2 LEU 14 -7.822 -4.469 1.734 100 HB3 LEU 14 HB1 LEU 14 -9.292 -3.604 2.126 101 HG LEU 14 HG LEU 14 -8.569 -2.150 0.025 102 HD11 LEU 14 HD11 LEU 14 -7.400 -3.321 -1.632 103 HD12 LEU 14 HD12 LEU 14 -7.534 -4.852 -0.767 104 HD13 LEU 14 HD13 LEU 14 -6.465 -3.588 -0.159 105 HD21 LEU 14 HD21 LEU 14 -9.858 -4.869 -0.180 106 HD22 LEU 14 HD22 LEU 14 -10.039 -3.539 -1.322 107 HD23 LEU 14 HD23 LEU 14 -10.672 -3.386 0.316 108 H ALA 15 HN ALA 15 -7.263 -0.529 0.843 109 HA ALA 15 HA ALA 15 -4.887 -1.348 -0.486 110 HB1 ALA 15 HB1 ALA 15 -4.986 0.805 -1.611 111 HB2 ALA 15 HB2 ALA 15 -6.216 1.357 -0.474 112 HB3 ALA 15 HB3 ALA 15 -6.573 0.035 -1.585 113 H ALA 16 HN ALA 16 -5.548 0.821 2.204 114 HA ALA 16 HA ALA 16 -3.236 2.285 2.349 115 HB1 ALA 16 HB1 ALA 16 -4.557 1.109 4.783 116 HB2 ALA 16 HB2 ALA 16 -5.243 2.443 3.858 117 HB3 ALA 16 HB3 ALA 16 -3.678 2.631 4.649 118 HA PRO 17 HA PRO 17 -0.908 -1.201 4.723 119 HB2 PRO 17 HB2 PRO 17 -1.971 -3.700 4.754 120 HB3 PRO 17 HB1 PRO 17 -2.360 -2.482 5.985 121 HG2 PRO 17 HG2 PRO 17 -3.936 -3.316 3.601 122 HG3 PRO 17 HG1 PRO 17 -4.482 -2.968 5.254 123 HD2 PRO 17 HD2 PRO 17 -4.721 -1.188 3.225 124 HD3 PRO 17 HD1 PRO 17 -4.505 -0.705 4.917 125 H VAL 18 HN VAL 18 -2.712 -2.090 1.840 126 HA VAL 18 HA VAL 18 -0.870 -3.983 0.814 127 HB VAL 18 HB VAL 18 -2.963 -2.291 -0.555 128 HG11 VAL 18 HG11 VAL 18 -1.303 -4.527 -1.714 129 HG12 VAL 18 HG12 VAL 18 -1.252 -2.829 -2.187 130 HG13 VAL 18 HG13 VAL 18 -2.701 -3.786 -2.493 131 HG21 VAL 18 HG21 VAL 18 -4.327 -4.218 -0.514 132 HG22 VAL 18 HG22 VAL 18 -3.631 -4.090 1.102 133 HG23 VAL 18 HG23 VAL 18 -2.978 -5.255 -0.050 134 H ILE 19 HN ILE 19 -1.332 -0.527 0.208 135 HA ILE 19 HA ILE 19 0.785 -0.281 -1.665 136 HB ILE 19 HB ILE 19 -0.524 1.858 0.020 137 HG12 ILE 19 HG12 ILE 19 -1.157 1.241 -2.853 138 HG13 ILE 19 HG11 ILE 19 -1.958 0.368 -1.551 139 HG21 ILE 19 HG21 ILE 19 0.250 3.393 -1.736 140 HG22 ILE 19 HG22 ILE 19 1.100 2.057 -2.513 141 HG23 ILE 19 HG23 ILE 19 1.591 2.599 -0.909 142 HD11 ILE 19 HD11 ILE 19 -1.966 3.360 -1.839 143 HD12 ILE 19 HD12 ILE 19 -2.894 2.393 -0.692 144 HD13 ILE 19 HD13 ILE 19 -3.244 2.292 -2.418 145 H ALA 20 HN ALA 20 0.491 0.420 1.799 146 HA ALA 20 HA ALA 20 3.029 1.526 2.196 147 HB1 ALA 20 HB1 ALA 20 2.700 1.055 4.548 148 HB2 ALA 20 HB2 ALA 20 1.413 -0.090 4.166 149 HB3 ALA 20 HB3 ALA 20 1.191 1.629 3.836 150 H GLY 21 HN GLY 21 1.960 -1.820 2.066 151 HA2 GLY 21 HA2 GLY 21 4.339 -2.981 3.090 152 HA3 GLY 21 HA1 GLY 21 3.117 -3.805 2.133 153 H ILE 22 HN ILE 22 3.219 -2.385 -0.227 154 HA ILE 22 HA ILE 22 5.486 -3.539 -1.480 155 HB ILE 22 HB ILE 22 3.612 -1.445 -2.591 156 HG12 ILE 22 HG12 ILE 22 3.464 -4.451 -2.893 157 HG13 ILE 22 HG11 ILE 22 2.511 -3.540 -1.726 158 HG21 ILE 22 HG21 ILE 22 5.688 -1.686 -3.862 159 HG22 ILE 22 HG22 ILE 22 4.303 -2.287 -4.772 160 HG23 ILE 22 HG23 ILE 22 5.407 -3.422 -3.995 161 HD11 ILE 22 HD11 ILE 22 1.206 -4.045 -3.698 162 HD12 ILE 22 HD12 ILE 22 2.403 -3.249 -4.719 163 HD13 ILE 22 HD13 ILE 22 1.463 -2.306 -3.562 164 H LEU 23 HN LEU 23 4.665 -0.255 -0.490 165 HA LEU 23 HA LEU 23 6.873 1.031 -1.692 166 HB2 LEU 23 HB2 LEU 23 4.986 2.337 -1.025 167 HB3 LEU 23 HB1 LEU 23 5.110 1.782 0.633 168 HG LEU 23 HG LEU 23 7.214 3.023 0.897 169 HD11 LEU 23 HD11 LEU 23 6.671 3.981 -1.911 170 HD12 LEU 23 HD12 LEU 23 8.006 2.947 -1.400 171 HD13 LEU 23 HD13 LEU 23 7.914 4.614 -0.832 172 HD21 LEU 23 HD21 LEU 23 5.097 4.086 1.483 173 HD22 LEU 23 HD22 LEU 23 4.941 4.696 -0.164 174 HD23 LEU 23 HD23 LEU 23 6.254 5.266 0.866 175 H ALA 24 HN ALA 24 6.373 -0.433 1.474 176 HA ALA 24 HA ALA 24 8.769 0.418 2.675 177 HB1 ALA 24 HB1 ALA 24 8.393 -1.347 4.293 178 HB2 ALA 24 HB2 ALA 24 7.227 -2.118 3.217 179 HB3 ALA 24 HB3 ALA 24 6.869 -0.540 3.918 180 H SER 25 HN SER 25 7.978 -2.393 0.697 181 HA SER 25 HA SER 25 10.425 -3.751 0.988 182 HB2 SER 25 HB2 SER 25 8.470 -3.786 -1.325 183 HB3 SER 25 HB1 SER 25 9.767 -4.954 -1.074 184 HG SER 25 HG SER 25 7.607 -5.552 -0.283 185 H MET 26 HN MET 26 9.375 -1.174 -1.147 186 HA MET 26 HA MET 26 11.628 -1.265 -2.877 187 HB2 MET 26 HB2 MET 26 9.643 0.941 -2.296 188 HB3 MET 26 HB1 MET 26 10.878 1.038 -3.544 189 HG2 MET 26 HG2 MET 26 9.868 -1.075 -4.508 190 HG3 MET 26 HG1 MET 26 8.518 -0.809 -3.408 191 HE1 MET 26 HE1 MET 26 6.876 1.283 -3.546 192 HE2 MET 26 HE2 MET 26 7.127 2.638 -4.647 193 HE3 MET 26 HE3 MET 26 8.278 2.335 -3.346 194 H ILE 27 HN ILE 27 10.839 0.651 0.005 195 HA ILE 27 HA ILE 27 13.113 2.293 -0.034 196 HB ILE 27 HB ILE 27 11.566 1.300 2.368 197 HG12 ILE 27 HG12 ILE 27 11.327 3.854 0.760 198 HG13 ILE 27 HG11 ILE 27 10.181 2.519 0.742 199 HG21 ILE 27 HG21 ILE 27 12.518 3.214 3.547 200 HG22 ILE 27 HG22 ILE 27 13.459 3.635 2.116 201 HG23 ILE 27 HG23 ILE 27 13.785 2.129 2.975 202 HD11 ILE 27 HD11 ILE 27 9.690 2.921 3.105 203 HD12 ILE 27 HD12 ILE 27 9.367 4.341 2.110 204 HD13 ILE 27 HD13 ILE 27 10.824 4.273 3.101 205 H VAL 28 HN VAL 28 12.542 -0.903 1.354 206 HA VAL 28 HA VAL 28 15.077 -1.145 2.601 207 HB VAL 28 HB VAL 28 13.177 -3.315 1.699 208 HG11 VAL 28 HG11 VAL 28 15.422 -4.196 2.004 209 HG12 VAL 28 HG12 VAL 28 14.370 -4.738 3.312 210 HG13 VAL 28 HG13 VAL 28 15.525 -3.434 3.591 211 HG21 VAL 28 HG21 VAL 28 12.407 -3.340 3.993 212 HG22 VAL 28 HG22 VAL 28 12.228 -1.717 3.326 213 HG23 VAL 28 HG23 VAL 28 13.561 -2.078 4.423 214 H ASN 29 HN ASN 29 13.841 -2.118 -0.586 215 HA ASN 29 HA ASN 29 16.158 -3.533 -1.359 216 HB2 ASN 29 HB2 ASN 29 15.232 -3.660 -3.519 217 HB3 ASN 29 HB1 ASN 29 13.846 -3.623 -2.449 218 HD21 ASN 29 HD21 ASN 29 12.540 -2.965 -4.147 219 HD22 ASN 29 HD22 ASN 29 12.562 -1.344 -4.744 220 H TRP 30 HN TRP 30 15.341 -0.172 -1.319 221 HA TRP 30 HA TRP 30 17.394 0.729 -3.073 222 HB2 TRP 30 HB2 TRP 30 15.672 2.272 -2.813 223 HB3 TRP 30 HB1 TRP 30 15.570 2.020 -1.076 224 HD1 TRP 30 HD1 TRP 30 18.301 3.427 -3.475 225 HE1 TRP 30 HE1 TRP 30 19.281 5.540 -2.379 226 HE3 TRP 30 HE3 TRP 30 15.551 3.452 0.830 227 HZ2 TRP 30 HZ2 TRP 30 18.930 7.023 0.000 228 HZ3 TRP 30 HZ3 TRP 30 15.931 5.249 2.465 229 HH2 TRP 30 HH2 TRP 30 17.588 6.998 2.058 230 H LEU 31 HN LEU 31 17.090 0.646 0.471 231 HA LEU 31 HA LEU 31 19.671 1.617 1.026 232 HB2 LEU 31 HB2 LEU 31 17.709 -0.004 2.617 233 HB3 LEU 31 HB1 LEU 31 19.275 0.446 3.268 234 HG LEU 31 HG LEU 31 17.304 2.473 2.234 235 HD11 LEU 31 HD11 LEU 31 16.251 1.247 4.041 236 HD12 LEU 31 HD12 LEU 31 16.703 2.865 4.577 237 HD13 LEU 31 HD13 LEU 31 17.679 1.474 5.050 238 HD21 LEU 31 HD21 LEU 31 19.672 2.714 4.086 239 HD22 LEU 31 HD22 LEU 31 18.629 4.030 3.544 240 HD23 LEU 31 HD23 LEU 31 19.651 3.179 2.385 241 H ASN 32 HN ASN 32 18.472 -1.531 0.202 242 HA ASN 32 HA ASN 32 20.742 -3.003 1.116 243 HB2 ASN 32 HB2 ASN 32 18.392 -3.647 -0.640 244 HB3 ASN 32 HB1 ASN 32 19.725 -4.784 -0.466 245 HD21 ASN 32 HD21 ASN 32 18.668 -2.665 2.101 246 HD22 ASN 32 HD22 ASN 32 18.012 -3.902 3.112 247 H LYS 33 HN LYS 33 20.071 -1.155 -1.718 248 HA LYS 33 HA LYS 33 22.270 -2.454 -3.161 249 HB2 LYS 33 HB2 LYS 33 21.416 -1.564 -5.158 250 HB3 LYS 33 HB1 LYS 33 19.993 -2.050 -4.248 251 HG2 LYS 33 HG2 LYS 33 19.209 -0.018 -4.701 252 HG3 LYS 33 HG1 LYS 33 20.341 0.562 -3.478 253 HD2 LYS 33 HD2 LYS 33 22.027 0.939 -5.195 254 HD3 LYS 33 HD1 LYS 33 20.930 0.314 -6.427 255 HE2 LYS 33 HE2 LYS 33 20.942 2.743 -6.449 256 HE3 LYS 33 HE1 LYS 33 19.365 2.137 -5.947 257 HZ1 LYS 33 HZ1 LYS 33 21.485 3.130 -4.118 258 HZ2 LYS 33 HZ2 LYS 33 19.955 2.579 -3.653 259 HZ3 LYS 33 HZ3 LYS 33 20.101 3.990 -4.574 260 H ARG 34 HN ARG 34 21.882 0.023 -1.049 261 HA ARG 34 HA ARG 34 24.155 1.489 -2.210 262 HB2 ARG 34 HB2 ARG 34 23.261 3.571 -1.290 263 HB3 ARG 34 HB1 ARG 34 22.128 2.846 -2.420 264 HG2 ARG 34 HG2 ARG 34 20.688 3.413 -0.759 265 HG3 ARG 34 HG1 ARG 34 21.139 1.801 -0.201 266 HD2 ARG 34 HD2 ARG 34 21.189 3.474 1.606 267 HD3 ARG 34 HD1 ARG 34 22.767 2.744 1.320 268 HE ARG 34 HE ARG 34 22.262 5.253 -0.043 269 HH11 ARG 34 HH11 ARG 34 23.631 3.646 2.731 270 HH12 ARG 34 HH12 ARG 34 24.691 4.957 3.126 271 HH21 ARG 34 HH21 ARG 34 23.657 6.981 0.472 272 HH22 ARG 34 HH22 ARG 34 24.706 6.849 1.844 273 H LYS 35 HN LYS 35 23.357 -0.566 0.112 274 HA LYS 35 HA LYS 35 24.189 -1.148 2.144 275 HB2 LYS 35 HB2 LYS 35 26.375 0.639 1.111 276 HB3 LYS 35 HB1 LYS 35 26.479 -0.083 2.710 277 HG2 LYS 35 HG2 LYS 35 27.689 -1.467 1.210 278 HG3 LYS 35 HG1 LYS 35 26.206 -2.319 1.640 279 HD2 LYS 35 HD2 LYS 35 25.186 -1.593 -0.467 280 HD3 LYS 35 HD1 LYS 35 26.676 -0.750 -0.895 281 HE2 LYS 35 HE2 LYS 35 26.541 -2.919 -2.007 282 HE3 LYS 35 HE1 LYS 35 27.889 -2.867 -0.873 283 HZ1 LYS 35 HZ1 LYS 35 26.556 -4.076 0.727 284 HZ2 LYS 35 HZ2 LYS 35 26.660 -4.946 -0.719 285 HZ3 LYS 35 HZ3 LYS 35 25.243 -4.106 -0.339 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -28.477 -0.393 2.305 2 H2 MET 1 HT2 MET 1 -28.083 -1.324 3.662 3 H3 MET 1 HT3 MET 1 -28.165 -2.048 2.135 4 HA MET 1 HA MET 1 -26.204 -0.002 2.991 5 HB2 MET 1 HB2 MET 1 -25.782 -2.191 3.990 6 HB3 MET 1 HB1 MET 1 -25.892 -2.954 2.410 7 HG2 MET 1 HG2 MET 1 -23.577 -2.654 3.229 8 HG3 MET 1 HG1 MET 1 -23.891 -1.887 1.674 9 HE1 MET 1 HE1 MET 1 -23.548 -1.270 5.556 10 HE2 MET 1 HE2 MET 1 -25.099 -0.534 5.152 11 HE3 MET 1 HE3 MET 1 -23.740 0.482 5.635 12 H THR 2 HN THR 2 -24.636 0.555 1.432 13 HA THR 2 HA THR 2 -25.482 0.045 -1.346 14 HB THR 2 HB THR 2 -23.942 2.295 -1.526 15 HG1 THR 2 HG1 THR 2 -24.113 2.249 0.920 16 HG21 THR 2 HG21 THR 2 -26.064 3.511 -1.789 17 HG22 THR 2 HG22 THR 2 -26.926 2.153 -1.064 18 HG23 THR 2 HG23 THR 2 -26.102 1.951 -2.610 19 H PHE 3 HN PHE 3 -24.106 -0.965 -2.616 20 HA PHE 3 HA PHE 3 -21.610 -1.906 -1.721 21 HB2 PHE 3 HB2 PHE 3 -23.212 -2.786 -3.597 22 HB3 PHE 3 HB1 PHE 3 -22.280 -1.714 -4.637 23 HD1 PHE 3 HD1 PHE 3 -20.515 -2.650 -5.752 24 HD2 PHE 3 HD2 PHE 3 -21.665 -4.255 -1.986 25 HE1 PHE 3 HE1 PHE 3 -18.775 -4.378 -5.964 26 HE2 PHE 3 HE2 PHE 3 -19.928 -5.987 -2.187 27 HZ PHE 3 HZ PHE 3 -18.479 -6.051 -4.179 28 H ALA 4 HN ALA 4 -22.549 0.882 -3.636 29 HA ALA 4 HA ALA 4 -19.941 1.570 -4.523 30 HB1 ALA 4 HB1 ALA 4 -22.364 3.338 -4.193 31 HB2 ALA 4 HB2 ALA 4 -21.961 2.397 -5.630 32 HB3 ALA 4 HB3 ALA 4 -20.915 3.723 -5.122 33 H GLU 5 HN GLU 5 -21.913 2.563 -1.754 34 HA GLU 5 HA GLU 5 -20.074 4.479 -0.766 35 HB2 GLU 5 HB2 GLU 5 -22.278 2.949 0.625 36 HB3 GLU 5 HB1 GLU 5 -21.372 4.263 1.364 37 HG2 GLU 5 HG2 GLU 5 -23.092 4.476 -1.096 38 HG3 GLU 5 HG1 GLU 5 -23.529 5.014 0.524 39 H LEU 6 HN LEU 6 -20.489 1.025 -0.260 40 HA LEU 6 HA LEU 6 -18.460 0.940 1.809 41 HB2 LEU 6 HB2 LEU 6 -20.536 -0.569 1.649 42 HB3 LEU 6 HB1 LEU 6 -19.656 -1.431 0.399 43 HG LEU 6 HG LEU 6 -18.174 -1.062 2.918 44 HD11 LEU 6 HD11 LEU 6 -20.586 -2.866 2.785 45 HD12 LEU 6 HD12 LEU 6 -20.401 -1.450 3.818 46 HD13 LEU 6 HD13 LEU 6 -19.373 -2.861 4.064 47 HD21 LEU 6 HD21 LEU 6 -17.296 -2.378 1.069 48 HD22 LEU 6 HD22 LEU 6 -18.716 -3.421 1.118 49 HD23 LEU 6 HD23 LEU 6 -17.590 -3.401 2.474 50 H GLY 7 HN GLY 7 -18.564 0.931 -1.563 51 HA2 GLY 7 HA2 GLY 7 -16.405 -0.830 -2.128 52 HA3 GLY 7 HA1 GLY 7 -17.025 0.417 -3.197 53 H MET 8 HN MET 8 -16.540 2.721 -1.889 54 HA MET 8 HA MET 8 -13.755 3.065 -2.296 55 HB2 MET 8 HB2 MET 8 -15.803 4.907 -1.051 56 HB3 MET 8 HB1 MET 8 -14.165 5.380 -1.481 57 HG2 MET 8 HG2 MET 8 -16.231 4.365 -3.418 58 HG3 MET 8 HG1 MET 8 -15.840 6.062 -3.147 59 HE1 MET 8 HE1 MET 8 -15.787 4.624 -6.021 60 HE2 MET 8 HE2 MET 8 -14.317 5.330 -6.692 61 HE3 MET 8 HE3 MET 8 -15.434 6.333 -5.766 62 H ALA 9 HN ALA 9 -15.767 2.807 0.596 63 HA ALA 9 HA ALA 9 -13.747 3.450 2.464 64 HB1 ALA 9 HB1 ALA 9 -16.209 1.753 2.860 65 HB2 ALA 9 HB2 ALA 9 -16.135 3.509 3.010 66 HB3 ALA 9 HB3 ALA 9 -15.237 2.489 4.133 67 H PHE 10 HN PHE 10 -14.921 0.356 1.196 68 HA PHE 10 HA PHE 10 -13.181 -1.253 2.762 69 HB2 PHE 10 HB2 PHE 10 -15.117 -2.323 1.957 70 HB3 PHE 10 HB1 PHE 10 -14.859 -1.751 0.315 71 HD1 PHE 10 HD1 PHE 10 -14.548 -3.503 -1.096 72 HD2 PHE 10 HD2 PHE 10 -12.710 -3.616 2.740 73 HE1 PHE 10 HE1 PHE 10 -13.460 -5.630 -1.685 74 HE2 PHE 10 HE2 PHE 10 -11.620 -5.744 2.162 75 HZ PHE 10 HZ PHE 10 -11.994 -6.756 -0.054 76 H TRP 11 HN TRP 11 -13.001 -0.030 -0.575 77 HA TRP 11 HA TRP 11 -10.615 -1.361 -1.253 78 HB2 TRP 11 HB2 TRP 11 -12.176 0.895 -2.373 79 HB3 TRP 11 HB1 TRP 11 -10.486 0.791 -2.854 80 HD1 TRP 11 HD1 TRP 11 -13.799 -0.459 -3.821 81 HE1 TRP 11 HE1 TRP 11 -13.595 -2.412 -5.483 82 HE3 TRP 11 HE3 TRP 11 -8.825 -1.506 -3.239 83 HZ2 TRP 11 HZ2 TRP 11 -11.594 -4.164 -6.423 84 HZ3 TRP 11 HZ3 TRP 11 -7.846 -3.337 -4.559 85 HH2 TRP 11 HH2 TRP 11 -9.203 -4.640 -6.116 86 H HIS 12 HN HIS 12 -11.205 1.827 0.159 87 HA HIS 12 HA HIS 12 -8.492 2.653 0.131 88 HB2 HIS 12 HB2 HIS 12 -10.916 3.574 1.664 89 HB3 HIS 12 HB1 HIS 12 -9.327 4.285 1.933 90 HD1 HIS 12 HD1 HIS 12 -10.596 3.344 -1.501 91 HD2 HIS 12 HD2 HIS 12 -9.893 6.719 0.818 92 HE1 HIS 12 HE1 HIS 12 -10.856 5.332 -3.044 93 H ASP 13 HN ASP 13 -10.511 1.029 2.528 94 HA ASP 13 HA ASP 13 -8.652 1.102 4.646 95 HB2 ASP 13 HB2 ASP 13 -11.038 0.648 4.996 96 HB3 ASP 13 HB1 ASP 13 -10.882 -0.873 4.123 97 H LEU 14 HN LEU 14 -9.300 -1.322 2.132 98 HA LEU 14 HA LEU 14 -7.354 -3.160 3.127 99 HB2 LEU 14 HB2 LEU 14 -7.858 -4.523 1.301 100 HB3 LEU 14 HB1 LEU 14 -9.367 -3.733 1.697 101 HG LEU 14 HG LEU 14 -8.575 -2.045 -0.187 102 HD11 LEU 14 HD11 LEU 14 -7.375 -4.619 -1.163 103 HD12 LEU 14 HD12 LEU 14 -6.411 -3.352 -0.407 104 HD13 LEU 14 HD13 LEU 14 -7.288 -3.019 -1.901 105 HD21 LEU 14 HD21 LEU 14 -9.754 -4.763 -0.752 106 HD22 LEU 14 HD22 LEU 14 -9.901 -3.334 -1.772 107 HD23 LEU 14 HD23 LEU 14 -10.646 -3.356 -0.175 108 H ALA 15 HN ALA 15 -7.325 -0.496 0.905 109 HA ALA 15 HA ALA 15 -4.870 -1.118 -0.378 110 HB1 ALA 15 HB1 ALA 15 -4.957 1.121 -1.265 111 HB2 ALA 15 HB2 ALA 15 -6.179 1.579 -0.077 112 HB3 ALA 15 HB3 ALA 15 -6.566 0.399 -1.330 113 H ALA 16 HN ALA 16 -5.698 0.666 2.535 114 HA ALA 16 HA ALA 16 -3.414 2.113 2.995 115 HB1 ALA 16 HB1 ALA 16 -4.846 0.639 5.189 116 HB2 ALA 16 HB2 ALA 16 -5.522 2.052 4.382 117 HB3 ALA 16 HB3 ALA 16 -4.007 2.188 5.276 118 HA PRO 17 HA PRO 17 -1.181 -1.622 5.066 119 HB2 PRO 17 HB2 PRO 17 -2.202 -4.112 4.728 120 HB3 PRO 17 HB1 PRO 17 -2.696 -3.058 6.067 121 HG2 PRO 17 HG2 PRO 17 -4.085 -3.595 3.485 122 HG3 PRO 17 HG1 PRO 17 -4.754 -3.486 5.127 123 HD2 PRO 17 HD2 PRO 17 -4.906 -1.445 3.359 124 HD3 PRO 17 HD1 PRO 17 -4.785 -1.193 5.110 125 H VAL 18 HN VAL 18 -2.769 -2.047 1.982 126 HA VAL 18 HA VAL 18 -0.864 -3.827 0.840 127 HB VAL 18 HB VAL 18 -2.906 -1.995 -0.420 128 HG11 VAL 18 HG11 VAL 18 -1.113 -2.303 -2.013 129 HG12 VAL 18 HG12 VAL 18 -2.514 -3.254 -2.507 130 HG13 VAL 18 HG13 VAL 18 -1.135 -4.046 -1.744 131 HG21 VAL 18 HG21 VAL 18 -2.896 -5.000 -0.273 132 HG22 VAL 18 HG22 VAL 18 -4.234 -3.934 -0.704 133 HG23 VAL 18 HG23 VAL 18 -3.646 -3.984 0.957 134 H ILE 19 HN ILE 19 -1.349 -0.324 0.634 135 HA ILE 19 HA ILE 19 0.863 0.161 -1.077 136 HB ILE 19 HB ILE 19 -0.546 2.083 0.777 137 HG12 ILE 19 HG12 ILE 19 -1.050 1.778 -2.173 138 HG13 ILE 19 HG11 ILE 19 -1.915 0.790 -0.999 139 HG21 ILE 19 HG21 ILE 19 1.188 2.569 -1.642 140 HG22 ILE 19 HG22 ILE 19 1.598 2.933 0.034 141 HG23 ILE 19 HG23 ILE 19 0.291 3.808 -0.764 142 HD11 ILE 19 HD11 ILE 19 -3.152 2.801 -1.720 143 HD12 ILE 19 HD12 ILE 19 -1.887 3.797 -0.998 144 HD13 ILE 19 HD13 ILE 19 -2.864 2.737 0.019 145 H ALA 20 HN ALA 20 0.401 0.254 2.421 146 HA ALA 20 HA ALA 20 2.882 1.412 3.086 147 HB1 ALA 20 HB1 ALA 20 0.935 1.257 4.610 148 HB2 ALA 20 HB2 ALA 20 2.438 0.685 5.336 149 HB3 ALA 20 HB3 ALA 20 1.237 -0.474 4.767 150 H GLY 21 HN GLY 21 1.867 -1.985 2.820 151 HA2 GLY 21 HA2 GLY 21 4.301 -3.122 3.675 152 HA3 GLY 21 HA1 GLY 21 3.084 -3.927 2.697 153 H ILE 22 HN ILE 22 3.106 -2.394 0.408 154 HA ILE 22 HA ILE 22 5.394 -3.409 -0.925 155 HB ILE 22 HB ILE 22 3.389 -1.370 -1.906 156 HG12 ILE 22 HG12 ILE 22 3.481 -4.359 -2.370 157 HG13 ILE 22 HG11 ILE 22 2.440 -3.577 -1.186 158 HG21 ILE 22 HG21 ILE 22 4.122 -2.061 -4.149 159 HG22 ILE 22 HG22 ILE 22 5.357 -3.088 -3.419 160 HG23 ILE 22 HG23 ILE 22 5.435 -1.337 -3.221 161 HD11 ILE 22 HD11 ILE 22 1.226 -4.113 -3.215 162 HD12 ILE 22 HD12 ILE 22 2.360 -3.151 -4.164 163 HD13 ILE 22 HD13 ILE 22 1.314 -2.368 -2.980 164 H LEU 23 HN LEU 23 4.515 -0.253 0.337 165 HA LEU 23 HA LEU 23 6.544 1.266 -0.869 166 HB2 LEU 23 HB2 LEU 23 4.711 2.380 0.181 167 HB3 LEU 23 HB1 LEU 23 5.036 1.604 1.718 168 HG LEU 23 HG LEU 23 7.121 2.890 1.929 169 HD11 LEU 23 HD11 LEU 23 7.637 3.184 -0.428 170 HD12 LEU 23 HD12 LEU 23 7.565 4.744 0.390 171 HD13 LEU 23 HD13 LEU 23 6.222 4.218 -0.625 172 HD21 LEU 23 HD21 LEU 23 6.089 5.074 2.325 173 HD22 LEU 23 HD22 LEU 23 5.073 3.758 2.913 174 HD23 LEU 23 HD23 LEU 23 4.674 4.571 1.400 175 H ALA 24 HN ALA 24 6.462 -0.668 2.062 176 HA ALA 24 HA ALA 24 8.958 0.120 3.112 177 HB1 ALA 24 HB1 ALA 24 8.788 -1.857 4.511 178 HB2 ALA 24 HB2 ALA 24 7.517 -2.505 3.474 179 HB3 ALA 24 HB3 ALA 24 7.226 -1.044 4.416 180 H SER 25 HN SER 25 8.010 -2.419 0.855 181 HA SER 25 HA SER 25 10.467 -3.770 0.729 182 HB2 SER 25 HB2 SER 25 8.319 -3.477 -1.385 183 HB3 SER 25 HB1 SER 25 9.643 -4.641 -1.445 184 HG SER 25 HG SER 25 8.791 -5.706 0.279 185 H MET 26 HN MET 26 9.273 -0.911 -0.936 186 HA MET 26 HA MET 26 11.386 -0.773 -2.832 187 HB2 MET 26 HB2 MET 26 9.553 1.406 -1.810 188 HB3 MET 26 HB1 MET 26 10.611 1.548 -3.208 189 HG2 MET 26 HG2 MET 26 9.364 -0.432 -4.176 190 HG3 MET 26 HG1 MET 26 8.193 -0.199 -2.879 191 HE1 MET 26 HE1 MET 26 6.783 2.042 -2.558 192 HE2 MET 26 HE2 MET 26 6.883 3.425 -3.647 193 HE3 MET 26 HE3 MET 26 8.252 3.015 -2.614 194 H ILE 27 HN ILE 27 10.866 0.689 0.357 195 HA ILE 27 HA ILE 27 13.158 2.323 0.347 196 HB ILE 27 HB ILE 27 11.746 1.047 2.696 197 HG12 ILE 27 HG12 ILE 27 11.532 3.814 1.486 198 HG13 ILE 27 HG11 ILE 27 10.325 2.540 1.356 199 HG21 ILE 27 HG21 ILE 27 12.853 2.756 4.062 200 HG22 ILE 27 HG22 ILE 27 13.751 3.302 2.645 201 HG23 ILE 27 HG23 ILE 27 14.021 1.683 3.291 202 HD11 ILE 27 HD11 ILE 27 9.998 2.621 3.781 203 HD12 ILE 27 HD12 ILE 27 9.677 4.176 3.014 204 HD13 ILE 27 HD13 ILE 27 11.187 3.919 3.888 205 H VAL 28 HN VAL 28 12.626 -1.020 1.368 206 HA VAL 28 HA VAL 28 15.232 -1.454 2.379 207 HB VAL 28 HB VAL 28 13.251 -3.461 1.290 208 HG11 VAL 28 HG11 VAL 28 15.724 -3.873 2.970 209 HG12 VAL 28 HG12 VAL 28 15.492 -4.392 1.301 210 HG13 VAL 28 HG13 VAL 28 14.530 -5.115 2.591 211 HG21 VAL 28 HG21 VAL 28 12.408 -2.154 3.188 212 HG22 VAL 28 HG22 VAL 28 13.825 -2.616 4.129 213 HG23 VAL 28 HG23 VAL 28 12.666 -3.844 3.620 214 H ASN 29 HN ASN 29 13.770 -2.031 -0.813 215 HA ASN 29 HA ASN 29 16.000 -3.302 -1.952 216 HB2 ASN 29 HB2 ASN 29 14.917 -3.097 -4.028 217 HB3 ASN 29 HB1 ASN 29 13.605 -3.165 -2.870 218 HD21 ASN 29 HD21 ASN 29 12.220 -2.228 -4.355 219 HD22 ASN 29 HD22 ASN 29 12.275 -0.541 -4.725 220 H TRP 30 HN TRP 30 15.276 0.021 -1.333 221 HA TRP 30 HA TRP 30 17.216 1.157 -3.075 222 HB2 TRP 30 HB2 TRP 30 15.528 2.639 -2.449 223 HB3 TRP 30 HB1 TRP 30 15.592 2.155 -0.760 224 HD1 TRP 30 HD1 TRP 30 18.137 3.841 -3.191 225 HE1 TRP 30 HE1 TRP 30 19.224 5.804 -1.926 226 HE3 TRP 30 HE3 TRP 30 15.731 3.348 1.285 227 HZ2 TRP 30 HZ2 TRP 30 19.078 6.984 0.641 228 HZ3 TRP 30 HZ3 TRP 30 16.259 4.920 3.093 229 HH2 TRP 30 HH2 TRP 30 17.899 6.706 2.779 230 H LEU 31 HN LEU 31 17.190 0.535 0.442 231 HA LEU 31 HA LEU 31 19.828 1.394 0.893 232 HB2 LEU 31 HB2 LEU 31 17.899 -0.321 2.391 233 HB3 LEU 31 HB1 LEU 31 19.568 -0.277 2.915 234 HG LEU 31 HG LEU 31 18.867 1.388 4.228 235 HD11 LEU 31 HD11 LEU 31 18.997 3.620 3.312 236 HD12 LEU 31 HD12 LEU 31 18.833 2.976 1.679 237 HD13 LEU 31 HD13 LEU 31 20.263 2.594 2.637 238 HD21 LEU 31 HD21 LEU 31 16.807 2.691 3.856 239 HD22 LEU 31 HD22 LEU 31 16.541 0.948 3.862 240 HD23 LEU 31 HD23 LEU 31 16.577 1.829 2.336 241 H ASN 32 HN ASN 32 18.526 -1.597 -0.299 242 HA ASN 32 HA ASN 32 20.769 -3.239 0.205 243 HB2 ASN 32 HB2 ASN 32 18.485 -3.392 -1.747 244 HB3 ASN 32 HB1 ASN 32 19.793 -4.569 -1.794 245 HD21 ASN 32 HD21 ASN 32 18.733 -3.125 1.190 246 HD22 ASN 32 HD22 ASN 32 17.982 -4.539 1.838 247 H LYS 33 HN LYS 33 20.312 -0.636 -1.872 248 HA LYS 33 HA LYS 33 22.331 -1.484 -3.795 249 HB2 LYS 33 HB2 LYS 33 20.352 -0.305 -4.637 250 HB3 LYS 33 HB1 LYS 33 20.709 1.066 -3.598 251 HG2 LYS 33 HG2 LYS 33 22.819 0.226 -5.498 252 HG3 LYS 33 HG1 LYS 33 21.377 0.991 -6.167 253 HD2 LYS 33 HD2 LYS 33 21.700 2.931 -4.774 254 HD3 LYS 33 HD1 LYS 33 23.048 2.155 -3.941 255 HE2 LYS 33 HE2 LYS 33 22.966 2.865 -6.870 256 HE3 LYS 33 HE1 LYS 33 23.808 3.778 -5.618 257 HZ1 LYS 33 HZ1 LYS 33 25.297 2.303 -6.843 258 HZ2 LYS 33 HZ2 LYS 33 24.388 0.961 -6.361 259 HZ3 LYS 33 HZ3 LYS 33 25.220 1.877 -5.208 260 H ARG 34 HN ARG 34 21.932 0.477 -0.978 261 HA ARG 34 HA ARG 34 24.714 1.408 -1.227 262 HB2 ARG 34 HB2 ARG 34 24.037 3.238 0.359 263 HB3 ARG 34 HB1 ARG 34 23.300 3.324 -1.233 264 HG2 ARG 34 HG2 ARG 34 21.254 2.279 -0.279 265 HG3 ARG 34 HG1 ARG 34 22.000 2.377 1.318 266 HD2 ARG 34 HD2 ARG 34 21.357 4.683 -0.518 267 HD3 ARG 34 HD1 ARG 34 20.523 4.266 0.978 268 HE ARG 34 HE ARG 34 23.120 4.619 1.727 269 HH11 ARG 34 HH11 ARG 34 20.761 6.569 0.062 270 HH12 ARG 34 HH12 ARG 34 21.423 8.071 0.615 271 HH21 ARG 34 HH21 ARG 34 23.999 6.591 2.458 272 HH22 ARG 34 HH22 ARG 34 23.264 8.084 1.976 273 H LYS 35 HN LYS 35 25.289 -0.703 -0.336 274 HA LYS 35 HA LYS 35 24.607 -1.150 2.455 275 HB2 LYS 35 HB2 LYS 35 25.981 -3.236 2.169 276 HB3 LYS 35 HB1 LYS 35 24.581 -3.122 1.114 277 HG2 LYS 35 HG2 LYS 35 27.202 -2.165 0.089 278 HG3 LYS 35 HG1 LYS 35 26.925 -3.903 0.216 279 HD2 LYS 35 HD2 LYS 35 24.991 -3.752 -1.205 280 HD3 LYS 35 HD1 LYS 35 25.087 -1.990 -1.220 281 HE2 LYS 35 HE2 LYS 35 25.980 -3.015 -3.282 282 HE3 LYS 35 HE1 LYS 35 27.186 -2.072 -2.408 283 HZ1 LYS 35 HZ1 LYS 35 26.911 -5.029 -2.307 284 HZ2 LYS 35 HZ2 LYS 35 28.080 -4.117 -1.494 285 HZ3 LYS 35 HZ3 LYS 35 28.085 -4.180 -3.184 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 27.991 -0.614 4.054 2 H2 MET 1 HT2 MET 1 28.142 0.254 2.610 3 H3 MET 1 HT3 MET 1 28.308 -1.429 2.605 4 HA MET 1 HA MET 1 26.007 -1.692 3.259 5 HB2 MET 1 HB2 MET 1 25.828 0.451 4.471 6 HB3 MET 1 HB1 MET 1 25.906 1.316 2.943 7 HG2 MET 1 HG2 MET 1 23.818 0.264 2.240 8 HG3 MET 1 HG1 MET 1 23.741 -0.604 3.772 9 HE1 MET 1 HE1 MET 1 24.725 1.448 5.860 10 HE2 MET 1 HE2 MET 1 23.226 0.558 6.124 11 HE3 MET 1 HE3 MET 1 23.262 2.308 6.338 12 H THR 2 HN THR 2 24.414 -1.958 1.657 13 HA THR 2 HA THR 2 25.314 -1.225 -1.051 14 HB THR 2 HB THR 2 23.487 -3.321 -1.322 15 HG1 THR 2 HG1 THR 2 23.635 -4.054 0.733 16 HG21 THR 2 HG21 THR 2 25.471 -2.954 -2.696 17 HG22 THR 2 HG22 THR 2 25.448 -4.599 -2.063 18 HG23 THR 2 HG23 THR 2 26.506 -3.391 -1.337 19 H PHE 3 HN PHE 3 24.048 0.060 -2.186 20 HA PHE 3 HA PHE 3 21.654 1.139 -1.168 21 HB2 PHE 3 HB2 PHE 3 23.346 2.044 -2.965 22 HB3 PHE 3 HB1 PHE 3 22.273 1.223 -4.096 23 HD1 PHE 3 HD1 PHE 3 22.136 3.575 -1.217 24 HD2 PHE 3 HD2 PHE 3 20.490 2.393 -4.958 25 HE1 PHE 3 HE1 PHE 3 20.615 5.505 -1.152 26 HE2 PHE 3 HE2 PHE 3 18.965 4.325 -4.903 27 HZ PHE 3 HZ PHE 3 19.026 5.885 -2.997 28 H ALA 4 HN ALA 4 22.316 -1.518 -3.354 29 HA ALA 4 HA ALA 4 19.660 -1.837 -4.311 30 HB1 ALA 4 HB1 ALA 4 20.418 -4.014 -5.118 31 HB2 ALA 4 HB2 ALA 4 21.896 -3.859 -4.168 32 HB3 ALA 4 HB3 ALA 4 21.587 -2.751 -5.505 33 H GLU 5 HN GLU 5 21.488 -3.271 -1.639 34 HA GLU 5 HA GLU 5 19.467 -5.098 -0.856 35 HB2 GLU 5 HB2 GLU 5 21.766 -3.914 0.710 36 HB3 GLU 5 HB1 GLU 5 20.747 -5.227 1.283 37 HG2 GLU 5 HG2 GLU 5 22.526 -5.285 -1.143 38 HG3 GLU 5 HG1 GLU 5 22.834 -6.076 0.402 39 H LEU 6 HN LEU 6 20.221 -1.775 0.018 40 HA LEU 6 HA LEU 6 18.148 -1.680 2.037 41 HB2 LEU 6 HB2 LEU 6 20.354 -0.378 2.086 42 HB3 LEU 6 HB1 LEU 6 19.634 0.665 0.872 43 HG LEU 6 HG LEU 6 17.998 0.273 3.291 44 HD11 LEU 6 HD11 LEU 6 20.216 0.355 4.302 45 HD12 LEU 6 HD12 LEU 6 19.311 1.832 4.632 46 HD13 LEU 6 HD13 LEU 6 20.577 1.830 3.405 47 HD21 LEU 6 HD21 LEU 6 17.323 1.809 1.554 48 HD22 LEU 6 HD22 LEU 6 18.862 2.661 1.666 49 HD23 LEU 6 HD23 LEU 6 17.726 2.712 3.014 50 H GLY 7 HN GLY 7 18.354 -1.382 -1.310 51 HA2 GLY 7 HA2 GLY 7 16.384 0.619 -1.762 52 HA3 GLY 7 HA1 GLY 7 16.944 -0.566 -2.932 53 H MET 8 HN MET 8 16.223 -2.938 -1.813 54 HA MET 8 HA MET 8 13.455 -3.033 -2.393 55 HB2 MET 8 HB2 MET 8 15.309 -5.079 -1.169 56 HB3 MET 8 HB1 MET 8 13.640 -5.416 -1.609 57 HG2 MET 8 HG2 MET 8 15.819 -4.544 -3.493 58 HG3 MET 8 HG1 MET 8 15.195 -6.182 -3.316 59 HE1 MET 8 HE1 MET 8 14.844 -6.193 -5.981 60 HE2 MET 8 HE2 MET 8 15.398 -4.522 -6.088 61 HE3 MET 8 HE3 MET 8 13.873 -4.996 -6.838 62 H ALA 9 HN ALA 9 15.274 -3.192 0.644 63 HA ALA 9 HA ALA 9 13.052 -3.704 2.310 64 HB1 ALA 9 HB1 ALA 9 14.511 -3.030 4.150 65 HB2 ALA 9 HB2 ALA 9 15.670 -2.371 2.996 66 HB3 ALA 9 HB3 ALA 9 15.347 -4.105 3.030 67 H PHE 10 HN PHE 10 14.648 -0.688 1.343 68 HA PHE 10 HA PHE 10 13.004 1.003 2.925 69 HB2 PHE 10 HB2 PHE 10 15.088 1.901 2.298 70 HB3 PHE 10 HB1 PHE 10 14.865 1.471 0.607 71 HD1 PHE 10 HD1 PHE 10 12.779 3.393 3.044 72 HD2 PHE 10 HD2 PHE 10 14.845 3.344 -0.676 73 HE1 PHE 10 HE1 PHE 10 11.965 5.666 2.568 74 HE2 PHE 10 HE2 PHE 10 14.031 5.615 -1.162 75 HZ PHE 10 HZ PHE 10 12.590 6.780 0.461 76 H TRP 11 HN TRP 11 12.874 -0.034 -0.463 77 HA TRP 11 HA TRP 11 10.692 1.602 -1.190 78 HB2 TRP 11 HB2 TRP 11 12.090 -0.729 -2.375 79 HB3 TRP 11 HB1 TRP 11 10.451 -0.422 -2.940 80 HD1 TRP 11 HD1 TRP 11 13.938 0.577 -3.599 81 HE1 TRP 11 HE1 TRP 11 14.016 2.637 -5.141 82 HE3 TRP 11 HE3 TRP 11 9.037 1.993 -3.305 83 HZ2 TRP 11 HZ2 TRP 11 12.232 4.603 -6.106 84 HZ3 TRP 11 HZ3 TRP 11 8.302 3.974 -4.568 85 HH2 TRP 11 HH2 TRP 11 9.868 5.252 -5.937 86 H HIS 12 HN HIS 12 10.892 -1.704 0.036 87 HA HIS 12 HA HIS 12 8.123 -2.265 -0.182 88 HB2 HIS 12 HB2 HIS 12 10.354 -3.488 1.430 89 HB3 HIS 12 HB1 HIS 12 8.695 -4.062 1.562 90 HD1 HIS 12 HD1 HIS 12 10.275 -3.058 -1.723 91 HD2 HIS 12 HD2 HIS 12 9.097 -6.469 0.334 92 HE1 HIS 12 HE1 HIS 12 10.438 -4.971 -3.369 93 H ASP 13 HN ASP 13 10.140 -0.948 2.393 94 HA ASP 13 HA ASP 13 8.150 -0.952 4.399 95 HB2 ASP 13 HB2 ASP 13 10.535 -0.780 4.930 96 HB3 ASP 13 HB1 ASP 13 10.611 0.785 4.126 97 H LEU 14 HN LEU 14 9.209 1.515 2.069 98 HA LEU 14 HA LEU 14 7.394 3.490 3.050 99 HB2 LEU 14 HB2 LEU 14 8.116 4.879 1.307 100 HB3 LEU 14 HB1 LEU 14 9.523 3.963 1.796 101 HG LEU 14 HG LEU 14 8.797 2.403 -0.207 102 HD11 LEU 14 HD11 LEU 14 7.756 5.082 -1.098 103 HD12 LEU 14 HD12 LEU 14 6.728 3.739 -0.604 104 HD13 LEU 14 HD13 LEU 14 7.773 3.576 -2.016 105 HD21 LEU 14 HD21 LEU 14 10.925 3.618 0.034 106 HD22 LEU 14 HD22 LEU 14 10.154 5.066 -0.613 107 HD23 LEU 14 HD23 LEU 14 10.331 3.634 -1.626 108 H ALA 15 HN ALA 15 7.254 0.961 0.681 109 HA ALA 15 HA ALA 15 4.934 1.871 -0.680 110 HB1 ALA 15 HB1 ALA 15 6.509 0.257 -1.657 111 HB2 ALA 15 HB2 ALA 15 4.850 -0.342 -1.661 112 HB3 ALA 15 HB3 ALA 15 6.000 -0.941 -0.466 113 H ALA 16 HN ALA 16 5.462 -0.117 2.168 114 HA ALA 16 HA ALA 16 3.063 -1.398 2.461 115 HB1 ALA 16 HB1 ALA 16 4.898 -1.756 3.986 116 HB2 ALA 16 HB2 ALA 16 3.447 -1.324 4.893 117 HB3 ALA 16 HB3 ALA 16 4.718 -0.129 4.638 118 HA PRO 17 HA PRO 17 0.992 2.426 4.550 119 HB2 PRO 17 HB2 PRO 17 2.219 4.842 4.359 120 HB3 PRO 17 HB1 PRO 17 2.541 3.711 5.688 121 HG2 PRO 17 HG2 PRO 17 4.137 4.220 3.223 122 HG3 PRO 17 HG1 PRO 17 4.682 3.998 4.899 123 HD2 PRO 17 HD2 PRO 17 4.790 2.018 3.060 124 HD3 PRO 17 HD1 PRO 17 4.537 1.714 4.789 125 H VAL 18 HN VAL 18 2.766 2.805 1.566 126 HA VAL 18 HA VAL 18 1.076 4.761 0.377 127 HB VAL 18 HB VAL 18 2.957 2.754 -0.881 128 HG11 VAL 18 HG11 VAL 18 2.835 4.195 -2.888 129 HG12 VAL 18 HG12 VAL 18 1.526 5.098 -2.125 130 HG13 VAL 18 HG13 VAL 18 1.308 3.393 -2.520 131 HG21 VAL 18 HG21 VAL 18 4.566 4.463 -0.941 132 HG22 VAL 18 HG22 VAL 18 3.853 4.577 0.668 133 HG23 VAL 18 HG23 VAL 18 3.372 5.714 -0.590 134 H ILE 19 HN ILE 19 1.293 1.239 0.076 135 HA ILE 19 HA ILE 19 -0.917 0.973 -1.686 136 HB ILE 19 HB ILE 19 0.296 -1.121 0.121 137 HG12 ILE 19 HG12 ILE 19 0.964 -0.711 -2.783 138 HG13 ILE 19 HG11 ILE 19 1.831 0.166 -1.526 139 HG21 ILE 19 HG21 ILE 19 -1.339 -1.363 -2.402 140 HG22 ILE 19 HG22 ILE 19 -1.868 -1.769 -0.769 141 HG23 ILE 19 HG23 ILE 19 -0.586 -2.704 -1.539 142 HD11 ILE 19 HD11 ILE 19 3.016 -1.844 -2.238 143 HD12 ILE 19 HD12 ILE 19 1.638 -2.829 -1.744 144 HD13 ILE 19 HD13 ILE 19 2.554 -1.923 -0.539 145 H ALA 20 HN ALA 20 -0.519 0.770 1.811 146 HA ALA 20 HA ALA 20 -3.042 -0.281 2.450 147 HB1 ALA 20 HB1 ALA 20 -2.629 0.553 4.703 148 HB2 ALA 20 HB2 ALA 20 -1.307 1.552 4.101 149 HB3 ALA 20 HB3 ALA 20 -1.183 -0.206 4.037 150 H GLY 21 HN GLY 21 -1.951 3.073 2.054 151 HA2 GLY 21 HA2 GLY 21 -4.337 4.306 2.921 152 HA3 GLY 21 HA1 GLY 21 -3.130 5.039 1.875 153 H ILE 22 HN ILE 22 -3.234 3.406 -0.331 154 HA ILE 22 HA ILE 22 -5.541 4.384 -1.663 155 HB ILE 22 HB ILE 22 -3.611 2.250 -2.590 156 HG12 ILE 22 HG12 ILE 22 -3.573 5.211 -3.206 157 HG13 ILE 22 HG11 ILE 22 -2.579 4.465 -1.960 158 HG21 ILE 22 HG21 ILE 22 -5.514 4.000 -4.145 159 HG22 ILE 22 HG22 ILE 22 -5.690 2.269 -3.860 160 HG23 ILE 22 HG23 ILE 22 -4.352 2.870 -4.840 161 HD11 ILE 22 HD11 ILE 22 -1.463 3.111 -3.636 162 HD12 ILE 22 HD12 ILE 22 -1.341 4.826 -4.030 163 HD13 ILE 22 HD13 ILE 22 -2.488 3.801 -4.894 164 H LEU 23 HN LEU 23 -4.650 1.283 -0.282 165 HA LEU 23 HA LEU 23 -6.764 -0.237 -1.376 166 HB2 LEU 23 HB2 LEU 23 -4.788 -1.301 -0.480 167 HB3 LEU 23 HB1 LEU 23 -5.105 -0.639 1.111 168 HG LEU 23 HG LEU 23 -7.164 -2.012 1.242 169 HD11 LEU 23 HD11 LEU 23 -7.617 -2.232 -1.142 170 HD12 LEU 23 HD12 LEU 23 -7.497 -3.816 -0.376 171 HD13 LEU 23 HD13 LEU 23 -6.156 -3.199 -1.340 172 HD21 LEU 23 HD21 LEU 23 -5.085 -2.812 2.223 173 HD22 LEU 23 HD22 LEU 23 -4.627 -3.543 0.685 174 HD23 LEU 23 HD23 LEU 23 -6.026 -4.153 1.570 175 H ALA 24 HN ALA 24 -6.473 1.738 1.514 176 HA ALA 24 HA ALA 24 -8.766 0.886 2.873 177 HB1 ALA 24 HB1 ALA 24 -7.053 2.320 3.880 178 HB2 ALA 24 HB2 ALA 24 -8.664 3.016 4.051 179 HB3 ALA 24 HB3 ALA 24 -7.554 3.649 2.836 180 H SER 25 HN SER 25 -8.343 3.458 0.468 181 HA SER 25 HA SER 25 -10.981 4.402 0.472 182 HB2 SER 25 HB2 SER 25 -9.147 5.645 -0.577 183 HB3 SER 25 HB1 SER 25 -8.966 4.378 -1.791 184 HG SER 25 HG SER 25 -10.733 6.442 -1.690 185 H MET 26 HN MET 26 -9.466 1.690 -1.126 186 HA MET 26 HA MET 26 -11.564 1.128 -2.952 187 HB2 MET 26 HB2 MET 26 -9.443 -0.692 -1.793 188 HB3 MET 26 HB1 MET 26 -10.477 -1.089 -3.159 189 HG2 MET 26 HG2 MET 26 -9.508 0.698 -4.459 190 HG3 MET 26 HG1 MET 26 -8.534 1.208 -3.082 191 HE1 MET 26 HE1 MET 26 -7.958 -2.836 -5.237 192 HE2 MET 26 HE2 MET 26 -9.177 -1.652 -5.707 193 HE3 MET 26 HE3 MET 26 -9.316 -2.494 -4.164 194 H ILE 27 HN ILE 27 -10.759 -0.094 0.278 195 HA ILE 27 HA ILE 27 -12.829 -1.992 0.457 196 HB ILE 27 HB ILE 27 -11.495 -0.466 2.701 197 HG12 ILE 27 HG12 ILE 27 -10.873 -3.203 1.566 198 HG13 ILE 27 HG11 ILE 27 -9.940 -1.747 1.237 199 HG21 ILE 27 HG21 ILE 27 -13.585 -1.471 3.421 200 HG22 ILE 27 HG22 ILE 27 -12.217 -2.343 4.114 201 HG23 ILE 27 HG23 ILE 27 -13.094 -3.024 2.744 202 HD11 ILE 27 HD11 ILE 27 -8.856 -3.104 2.920 203 HD12 ILE 27 HD12 ILE 27 -10.305 -3.052 3.924 204 HD13 ILE 27 HD13 ILE 27 -9.392 -1.574 3.616 205 H VAL 28 HN VAL 28 -12.669 1.422 1.404 206 HA VAL 28 HA VAL 28 -15.231 1.549 2.587 207 HB VAL 28 HB VAL 28 -13.667 3.776 1.269 208 HG11 VAL 28 HG11 VAL 28 -15.023 5.279 2.619 209 HG12 VAL 28 HG12 VAL 28 -15.913 3.907 3.279 210 HG13 VAL 28 HG13 VAL 28 -16.048 4.302 1.566 211 HG21 VAL 28 HG21 VAL 28 -12.820 4.286 3.466 212 HG22 VAL 28 HG22 VAL 28 -12.462 2.600 3.095 213 HG23 VAL 28 HG23 VAL 28 -13.791 3.001 4.181 214 H ASN 29 HN ASN 29 -14.097 2.282 -0.698 215 HA ASN 29 HA ASN 29 -16.522 3.186 -1.750 216 HB2 ASN 29 HB2 ASN 29 -14.162 1.822 -3.044 217 HB3 ASN 29 HB1 ASN 29 -15.539 2.406 -3.970 218 HD21 ASN 29 HD21 ASN 29 -12.749 3.236 -4.051 219 HD22 ASN 29 HD22 ASN 29 -12.743 4.931 -3.715 220 H TRP 30 HN TRP 30 -15.204 -0.069 -1.447 221 HA TRP 30 HA TRP 30 -17.216 -1.406 -2.905 222 HB2 TRP 30 HB2 TRP 30 -15.316 -2.701 -2.581 223 HB3 TRP 30 HB1 TRP 30 -15.150 -2.221 -0.897 224 HD1 TRP 30 HD1 TRP 30 -17.756 -4.266 -2.947 225 HE1 TRP 30 HE1 TRP 30 -18.431 -6.307 -1.533 226 HE3 TRP 30 HE3 TRP 30 -14.924 -3.345 1.204 227 HZ2 TRP 30 HZ2 TRP 30 -17.843 -7.383 1.010 228 HZ3 TRP 30 HZ3 TRP 30 -15.039 -4.926 3.085 229 HH2 TRP 30 HH2 TRP 30 -16.467 -6.904 2.989 230 H LEU 31 HN LEU 31 -16.817 -0.785 0.565 231 HA LEU 31 HA LEU 31 -19.150 -2.102 1.408 232 HB2 LEU 31 HB2 LEU 31 -17.456 0.061 2.603 233 HB3 LEU 31 HB1 LEU 31 -18.913 -0.494 3.407 234 HG LEU 31 HG LEU 31 -16.764 -2.425 2.598 235 HD11 LEU 31 HD11 LEU 31 -15.831 -2.213 4.845 236 HD12 LEU 31 HD12 LEU 31 -16.937 -0.881 5.178 237 HD13 LEU 31 HD13 LEU 31 -15.691 -0.704 3.943 238 HD21 LEU 31 HD21 LEU 31 -17.721 -3.754 4.405 239 HD22 LEU 31 HD22 LEU 31 -18.949 -3.328 3.213 240 HD23 LEU 31 HD23 LEU 31 -18.875 -2.467 4.750 241 H ASN 32 HN ASN 32 -18.608 1.052 0.053 242 HA ASN 32 HA ASN 32 -21.061 2.225 0.879 243 HB2 ASN 32 HB2 ASN 32 -19.166 2.925 -1.369 244 HB3 ASN 32 HB1 ASN 32 -20.568 3.897 -0.929 245 HD21 ASN 32 HD21 ASN 32 -17.739 4.582 -0.890 246 HD22 ASN 32 HD22 ASN 32 -17.380 5.049 0.734 247 H LYS 33 HN LYS 33 -20.193 0.027 -1.623 248 HA LYS 33 HA LYS 33 -22.540 0.561 -3.232 249 HB2 LYS 33 HB2 LYS 33 -20.636 -0.069 -4.475 250 HB3 LYS 33 HB1 LYS 33 -20.297 -1.432 -3.416 251 HG2 LYS 33 HG2 LYS 33 -22.337 -2.541 -4.219 252 HG3 LYS 33 HG1 LYS 33 -22.620 -1.188 -5.316 253 HD2 LYS 33 HD2 LYS 33 -20.661 -1.667 -6.550 254 HD3 LYS 33 HD1 LYS 33 -20.090 -2.806 -5.330 255 HE2 LYS 33 HE2 LYS 33 -22.620 -3.183 -6.920 256 HE3 LYS 33 HE1 LYS 33 -21.062 -3.862 -7.390 257 HZ1 LYS 33 HZ1 LYS 33 -22.495 -4.423 -4.849 258 HZ2 LYS 33 HZ2 LYS 33 -21.010 -5.087 -5.311 259 HZ3 LYS 33 HZ3 LYS 33 -22.411 -5.463 -6.182 260 H ARG 34 HN ARG 34 -21.334 -2.092 -1.192 261 HA ARG 34 HA ARG 34 -23.730 -3.632 -1.490 262 HB2 ARG 34 HB2 ARG 34 -22.739 -5.109 0.208 263 HB3 ARG 34 HB1 ARG 34 -21.605 -4.741 -1.084 264 HG2 ARG 34 HG2 ARG 34 -20.348 -3.299 0.287 265 HG3 ARG 34 HG1 ARG 34 -21.617 -3.233 1.512 266 HD2 ARG 34 HD2 ARG 34 -19.964 -5.649 0.785 267 HD3 ARG 34 HD1 ARG 34 -19.782 -4.663 2.236 268 HE ARG 34 HE ARG 34 -22.426 -5.666 2.015 269 HH11 ARG 34 HH11 ARG 34 -19.179 -6.614 2.859 270 HH12 ARG 34 HH12 ARG 34 -19.690 -7.885 3.918 271 HH21 ARG 34 HH21 ARG 34 -23.103 -7.335 3.407 272 HH22 ARG 34 HH22 ARG 34 -21.920 -8.294 4.231 273 H LYS 35 HN LYS 35 -23.917 -0.854 -0.378 274 HA LYS 35 HA LYS 35 -24.482 -0.840 2.344 275 HB2 LYS 35 HB2 LYS 35 -26.024 1.099 1.737 276 HB3 LYS 35 HB1 LYS 35 -24.337 1.249 1.267 277 HG2 LYS 35 HG2 LYS 35 -24.991 0.443 -1.011 278 HG3 LYS 35 HG1 LYS 35 -26.674 0.565 -0.496 279 HD2 LYS 35 HD2 LYS 35 -26.368 2.947 -0.044 280 HD3 LYS 35 HD1 LYS 35 -24.678 2.827 -0.540 281 HE2 LYS 35 HE2 LYS 35 -25.405 2.132 -2.783 282 HE3 LYS 35 HE1 LYS 35 -27.086 2.304 -2.280 283 HZ1 LYS 35 HZ1 LYS 35 -26.680 4.658 -1.882 284 HZ2 LYS 35 HZ2 LYS 35 -26.336 4.248 -3.487 285 HZ3 LYS 35 HZ3 LYS 35 -25.074 4.486 -2.387 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -26.796 -2.237 3.751 2 H2 MET 1 HT2 MET 1 -28.092 -1.254 3.287 3 H3 MET 1 HT3 MET 1 -27.388 -1.060 4.813 4 HA MET 1 HA MET 1 -26.688 0.692 3.328 5 HB2 MET 1 HB2 MET 1 -24.257 0.417 3.616 6 HB3 MET 1 HB1 MET 1 -25.143 -0.037 5.065 7 HG2 MET 1 HG2 MET 1 -24.951 -2.416 4.346 8 HG3 MET 1 HG1 MET 1 -23.901 -1.877 3.037 9 HE1 MET 1 HE1 MET 1 -22.874 -1.397 7.513 10 HE2 MET 1 HE2 MET 1 -24.340 -2.186 6.930 11 HE3 MET 1 HE3 MET 1 -24.120 -0.452 6.698 12 H THR 2 HN THR 2 -24.993 1.158 1.588 13 HA THR 2 HA THR 2 -25.646 -0.512 -0.726 14 HB THR 2 HB THR 2 -24.114 1.825 -1.412 15 HG1 THR 2 HG1 THR 2 -26.353 2.204 0.305 16 HG21 THR 2 HG21 THR 2 -25.619 0.644 -2.925 17 HG22 THR 2 HG22 THR 2 -26.114 2.328 -2.752 18 HG23 THR 2 HG23 THR 2 -26.995 1.058 -1.902 19 H PHE 3 HN PHE 3 -24.184 -1.648 -1.836 20 HA PHE 3 HA PHE 3 -21.675 -2.245 -0.713 21 HB2 PHE 3 HB2 PHE 3 -23.176 -3.608 -2.358 22 HB3 PHE 3 HB1 PHE 3 -22.291 -2.739 -3.609 23 HD1 PHE 3 HD1 PHE 3 -21.564 -4.582 -0.456 24 HD2 PHE 3 HD2 PHE 3 -20.466 -3.802 -4.489 25 HE1 PHE 3 HE1 PHE 3 -19.726 -6.209 -0.265 26 HE2 PHE 3 HE2 PHE 3 -18.627 -5.428 -4.310 27 HZ PHE 3 HZ PHE 3 -18.255 -6.635 -2.195 28 H ALA 4 HN ALA 4 -22.685 0.015 -3.200 29 HA ALA 4 HA ALA 4 -20.096 0.618 -4.190 30 HB1 ALA 4 HB1 ALA 4 -22.601 2.300 -4.242 31 HB2 ALA 4 HB2 ALA 4 -22.110 1.130 -5.466 32 HB3 ALA 4 HB3 ALA 4 -21.147 2.583 -5.200 33 H GLU 5 HN GLU 5 -22.133 2.060 -1.681 34 HA GLU 5 HA GLU 5 -20.427 4.235 -1.093 35 HB2 GLU 5 HB2 GLU 5 -22.444 2.838 0.675 36 HB3 GLU 5 HB1 GLU 5 -21.701 4.394 1.019 37 HG2 GLU 5 HG2 GLU 5 -23.487 3.765 -1.321 38 HG3 GLU 5 HG1 GLU 5 -23.945 4.658 0.128 39 H LEU 6 HN LEU 6 -20.566 0.913 0.029 40 HA LEU 6 HA LEU 6 -18.485 1.363 2.008 41 HB2 LEU 6 HB2 LEU 6 -20.438 -0.202 2.357 42 HB3 LEU 6 HB1 LEU 6 -19.714 -1.255 1.156 43 HG LEU 6 HG LEU 6 -17.929 -0.497 3.375 44 HD11 LEU 6 HD11 LEU 6 -19.987 -0.733 4.625 45 HD12 LEU 6 HD12 LEU 6 -18.947 -2.128 4.914 46 HD13 LEU 6 HD13 LEU 6 -20.327 -2.267 3.825 47 HD21 LEU 6 HD21 LEU 6 -17.223 -2.081 1.700 48 HD22 LEU 6 HD22 LEU 6 -18.647 -3.078 1.991 49 HD23 LEU 6 HD23 LEU 6 -17.414 -2.915 3.242 50 H GLY 7 HN GLY 7 -18.716 0.647 -1.275 51 HA2 GLY 7 HA2 GLY 7 -16.518 -1.115 -1.596 52 HA3 GLY 7 HA1 GLY 7 -17.227 -0.113 -2.851 53 H MET 8 HN MET 8 -16.765 2.418 -1.730 54 HA MET 8 HA MET 8 -14.051 2.800 -2.506 55 HB2 MET 8 HB2 MET 8 -16.000 4.725 -1.227 56 HB3 MET 8 HB1 MET 8 -14.462 5.172 -1.954 57 HG2 MET 8 HG2 MET 8 -16.788 3.916 -3.394 58 HG3 MET 8 HG1 MET 8 -16.344 5.621 -3.441 59 HE1 MET 8 HE1 MET 8 -15.411 4.362 -7.034 60 HE2 MET 8 HE2 MET 8 -16.264 5.599 -6.111 61 HE3 MET 8 HE3 MET 8 -16.798 3.920 -6.038 62 H ALA 9 HN ALA 9 -15.743 3.195 0.607 63 HA ALA 9 HA ALA 9 -13.516 3.952 2.116 64 HB1 ALA 9 HB1 ALA 9 -15.946 2.421 3.039 65 HB2 ALA 9 HB2 ALA 9 -15.821 4.175 2.906 66 HB3 ALA 9 HB3 ALA 9 -14.821 3.305 4.070 67 H PHE 10 HN PHE 10 -14.816 0.749 1.380 68 HA PHE 10 HA PHE 10 -12.994 -0.686 3.021 69 HB2 PHE 10 HB2 PHE 10 -15.002 -1.799 2.474 70 HB3 PHE 10 HB1 PHE 10 -14.823 -1.461 0.758 71 HD1 PHE 10 HD1 PHE 10 -14.688 -3.434 -0.373 72 HD2 PHE 10 HD2 PHE 10 -12.515 -3.006 3.262 73 HE1 PHE 10 HE1 PHE 10 -13.684 -5.655 -0.716 74 HE2 PHE 10 HE2 PHE 10 -11.510 -5.227 2.927 75 HZ PHE 10 HZ PHE 10 -12.094 -6.554 0.936 76 H TRP 11 HN TRP 11 -13.057 -0.003 -0.481 77 HA TRP 11 HA TRP 11 -10.711 -1.407 -1.112 78 HB2 TRP 11 HB2 TRP 11 -12.392 0.618 -2.442 79 HB3 TRP 11 HB1 TRP 11 -10.718 0.558 -2.985 80 HD1 TRP 11 HD1 TRP 11 -13.968 -0.985 -3.670 81 HE1 TRP 11 HE1 TRP 11 -13.694 -3.130 -5.066 82 HE3 TRP 11 HE3 TRP 11 -8.935 -1.674 -3.116 83 HZ2 TRP 11 HZ2 TRP 11 -11.617 -4.883 -5.830 84 HZ3 TRP 11 HZ3 TRP 11 -7.881 -3.608 -4.212 85 HH2 TRP 11 HH2 TRP 11 -9.196 -5.180 -5.540 86 H HIS 12 HN HIS 12 -11.224 1.934 -0.118 87 HA HIS 12 HA HIS 12 -8.541 2.769 -0.467 88 HB2 HIS 12 HB2 HIS 12 -10.798 3.882 1.204 89 HB3 HIS 12 HB1 HIS 12 -9.229 4.668 1.050 90 HD1 HIS 12 HD1 HIS 12 -10.790 3.051 -1.950 91 HD2 HIS 12 HD2 HIS 12 -10.341 6.833 -0.293 92 HE1 HIS 12 HE1 HIS 12 -11.492 4.697 -3.738 93 H ASP 13 HN ASP 13 -10.332 1.439 2.266 94 HA ASP 13 HA ASP 13 -8.296 1.815 4.193 95 HB2 ASP 13 HB2 ASP 13 -10.644 1.435 4.807 96 HB3 ASP 13 HB1 ASP 13 -10.549 -0.201 4.160 97 H LEU 14 HN LEU 14 -9.151 -0.935 2.111 98 HA LEU 14 HA LEU 14 -7.134 -2.637 3.201 99 HB2 LEU 14 HB2 LEU 14 -7.769 -4.236 1.618 100 HB3 LEU 14 HB1 LEU 14 -9.244 -3.392 2.029 101 HG LEU 14 HG LEU 14 -8.633 -1.975 -0.122 102 HD11 LEU 14 HD11 LEU 14 -7.586 -4.626 -1.001 103 HD12 LEU 14 HD12 LEU 14 -6.491 -3.458 -0.266 104 HD13 LEU 14 HD13 LEU 14 -7.376 -3.034 -1.733 105 HD21 LEU 14 HD21 LEU 14 -9.840 -4.738 -0.181 106 HD22 LEU 14 HD22 LEU 14 -10.050 -3.500 -1.418 107 HD23 LEU 14 HD23 LEU 14 -10.686 -3.240 0.206 108 H ALA 15 HN ALA 15 -7.276 -0.316 0.620 109 HA ALA 15 HA ALA 15 -4.915 -1.140 -0.725 110 HB1 ALA 15 HB1 ALA 15 -6.676 0.239 -1.771 111 HB2 ALA 15 HB2 ALA 15 -5.066 0.943 -1.924 112 HB3 ALA 15 HB3 ALA 15 -6.200 1.586 -0.736 113 H ALA 16 HN ALA 16 -5.554 1.063 1.940 114 HA ALA 16 HA ALA 16 -3.261 2.554 2.040 115 HB1 ALA 16 HB1 ALA 16 -5.219 2.745 3.572 116 HB2 ALA 16 HB2 ALA 16 -3.651 2.874 4.370 117 HB3 ALA 16 HB3 ALA 16 -4.576 1.378 4.480 118 HA PRO 17 HA PRO 17 -0.850 -0.868 4.443 119 HB2 PRO 17 HB2 PRO 17 -1.860 -3.388 4.475 120 HB3 PRO 17 HB1 PRO 17 -2.281 -2.180 5.705 121 HG2 PRO 17 HG2 PRO 17 -3.823 -3.029 3.300 122 HG3 PRO 17 HG1 PRO 17 -4.388 -2.730 4.957 123 HD2 PRO 17 HD2 PRO 17 -4.682 -0.912 2.983 124 HD3 PRO 17 HD1 PRO 17 -4.435 -0.453 4.678 125 H VAL 18 HN VAL 18 -2.624 -1.689 1.543 126 HA VAL 18 HA VAL 18 -0.763 -3.569 0.496 127 HB VAL 18 HB VAL 18 -2.862 -1.890 -0.887 128 HG11 VAL 18 HG11 VAL 18 -1.153 -2.527 -2.489 129 HG12 VAL 18 HG12 VAL 18 -2.630 -3.447 -2.772 130 HG13 VAL 18 HG13 VAL 18 -1.259 -4.207 -1.963 131 HG21 VAL 18 HG21 VAL 18 -3.530 -3.643 0.849 132 HG22 VAL 18 HG22 VAL 18 -2.964 -4.838 -0.319 133 HG23 VAL 18 HG23 VAL 18 -4.286 -3.748 -0.741 134 H ILE 19 HN ILE 19 -1.324 -0.121 -0.103 135 HA ILE 19 HA ILE 19 0.801 0.190 -1.958 136 HB ILE 19 HB ILE 19 -0.550 2.304 -0.274 137 HG12 ILE 19 HG12 ILE 19 -1.215 1.644 -3.131 138 HG13 ILE 19 HG11 ILE 19 -1.984 0.777 -1.805 139 HG21 ILE 19 HG21 ILE 19 0.149 3.819 -2.107 140 HG22 ILE 19 HG22 ILE 19 1.068 2.488 -2.811 141 HG23 ILE 19 HG23 ILE 19 1.507 3.120 -1.224 142 HD11 ILE 19 HD11 ILE 19 -2.898 2.835 -0.945 143 HD12 ILE 19 HD12 ILE 19 -3.339 2.638 -2.641 144 HD13 ILE 19 HD13 ILE 19 -2.055 3.759 -2.188 145 H ALA 20 HN ALA 20 0.489 0.606 1.525 146 HA ALA 20 HA ALA 20 3.008 1.841 1.943 147 HB1 ALA 20 HB1 ALA 20 2.657 1.360 4.292 148 HB2 ALA 20 HB2 ALA 20 1.370 0.222 3.894 149 HB3 ALA 20 HB3 ALA 20 1.156 1.942 3.570 150 H GLY 21 HN GLY 21 1.923 -1.503 1.814 151 HA2 GLY 21 HA2 GLY 21 4.300 -2.675 2.827 152 HA3 GLY 21 HA1 GLY 21 3.076 -3.491 1.863 153 H ILE 22 HN ILE 22 3.174 -2.050 -0.483 154 HA ILE 22 HA ILE 22 5.447 -3.184 -1.746 155 HB ILE 22 HB ILE 22 3.557 -1.095 -2.840 156 HG12 ILE 22 HG12 ILE 22 3.454 -4.095 -3.196 157 HG13 ILE 22 HG11 ILE 22 2.482 -3.222 -2.017 158 HG21 ILE 22 HG21 ILE 22 4.273 -1.906 -5.032 159 HG22 ILE 22 HG22 ILE 22 5.397 -3.022 -4.257 160 HG23 ILE 22 HG23 ILE 22 5.639 -1.282 -4.107 161 HD11 ILE 22 HD11 ILE 22 1.410 -1.981 -3.823 162 HD12 ILE 22 HD12 ILE 22 1.207 -3.722 -4.018 163 HD13 ILE 22 HD13 ILE 22 2.387 -2.856 -5.002 164 H LEU 23 HN LEU 23 4.632 0.054 -0.638 165 HA LEU 23 HA LEU 23 6.794 1.408 -1.848 166 HB2 LEU 23 HB2 LEU 23 4.895 2.642 -1.043 167 HB3 LEU 23 HB1 LEU 23 5.135 2.048 0.588 168 HG LEU 23 HG LEU 23 7.222 3.332 0.754 169 HD11 LEU 23 HD11 LEU 23 6.498 4.291 -2.010 170 HD12 LEU 23 HD12 LEU 23 7.915 3.343 -1.557 171 HD13 LEU 23 HD13 LEU 23 7.745 5.004 -0.988 172 HD21 LEU 23 HD21 LEU 23 5.135 4.340 1.498 173 HD22 LEU 23 HD22 LEU 23 4.847 4.967 -0.125 174 HD23 LEU 23 HD23 LEU 23 6.214 5.559 0.819 175 H ALA 24 HN ALA 24 6.412 -0.248 1.233 176 HA ALA 24 HA ALA 24 8.842 0.566 2.405 177 HB1 ALA 24 HB1 ALA 24 8.536 -1.350 3.907 178 HB2 ALA 24 HB2 ALA 24 7.254 -1.959 2.860 179 HB3 ALA 24 HB3 ALA 24 7.045 -0.428 3.711 180 H SER 25 HN SER 25 7.997 -2.137 0.303 181 HA SER 25 HA SER 25 10.419 -3.548 0.467 182 HB2 SER 25 HB2 SER 25 8.386 -4.520 -0.509 183 HB3 SER 25 HB1 SER 25 8.471 -3.375 -1.846 184 HG SER 25 HG SER 25 10.818 -4.627 -1.626 185 H MET 26 HN MET 26 9.411 -0.851 -1.563 186 HA MET 26 HA MET 26 11.673 -0.904 -3.273 187 HB2 MET 26 HB2 MET 26 9.785 1.358 -2.600 188 HB3 MET 26 HB1 MET 26 10.975 1.398 -3.894 189 HG2 MET 26 HG2 MET 26 9.828 -0.635 -4.846 190 HG3 MET 26 HG1 MET 26 8.544 -0.351 -3.672 191 HE1 MET 26 HE1 MET 26 7.072 1.897 -3.620 192 HE2 MET 26 HE2 MET 26 7.300 3.226 -4.757 193 HE3 MET 26 HE3 MET 26 8.553 2.854 -3.573 194 H ILE 27 HN ILE 27 10.969 0.711 -0.223 195 HA ILE 27 HA ILE 27 13.263 2.379 -0.205 196 HB ILE 27 HB ILE 27 11.637 1.356 2.129 197 HG12 ILE 27 HG12 ILE 27 11.491 3.993 0.649 198 HG13 ILE 27 HG11 ILE 27 10.357 2.663 0.442 199 HG21 ILE 27 HG21 ILE 27 12.586 3.269 3.351 200 HG22 ILE 27 HG22 ILE 27 13.613 3.631 1.964 201 HG23 ILE 27 HG23 ILE 27 13.826 2.120 2.848 202 HD11 ILE 27 HD11 ILE 27 9.424 4.351 1.890 203 HD12 ILE 27 HD12 ILE 27 10.818 4.236 2.964 204 HD13 ILE 27 HD13 ILE 27 9.716 2.869 2.800 205 H VAL 28 HN VAL 28 12.585 -0.825 1.153 206 HA VAL 28 HA VAL 28 15.059 -1.142 2.477 207 HB VAL 28 HB VAL 28 13.197 -3.268 1.401 208 HG11 VAL 28 HG11 VAL 28 15.443 -3.465 3.405 209 HG12 VAL 28 HG12 VAL 28 15.405 -4.185 1.796 210 HG13 VAL 28 HG13 VAL 28 14.289 -4.747 3.040 211 HG21 VAL 28 HG21 VAL 28 12.120 -1.774 3.006 212 HG22 VAL 28 HG22 VAL 28 13.423 -2.061 4.157 213 HG23 VAL 28 HG23 VAL 28 12.351 -3.381 3.692 214 H ASN 29 HN ASN 29 13.956 -2.020 -0.769 215 HA ASN 29 HA ASN 29 16.211 -3.462 -1.584 216 HB2 ASN 29 HB2 ASN 29 14.207 -1.828 -3.144 217 HB3 ASN 29 HB1 ASN 29 15.475 -2.773 -3.919 218 HD21 ASN 29 HD21 ASN 29 12.584 -3.047 -4.082 219 HD22 ASN 29 HD22 ASN 29 12.223 -4.655 -3.564 220 H TRP 30 HN TRP 30 15.475 -0.005 -1.801 221 HA TRP 30 HA TRP 30 17.796 0.756 -3.199 222 HB2 TRP 30 HB2 TRP 30 16.158 2.394 -3.217 223 HB3 TRP 30 HB1 TRP 30 15.775 2.178 -1.513 224 HD1 TRP 30 HD1 TRP 30 18.845 3.473 -3.530 225 HE1 TRP 30 HE1 TRP 30 19.775 5.531 -2.296 226 HE3 TRP 30 HE3 TRP 30 15.625 3.556 0.434 227 HZ2 TRP 30 HZ2 TRP 30 19.216 6.995 0.057 228 HZ3 TRP 30 HZ3 TRP 30 15.889 5.311 2.135 229 HH2 TRP 30 HH2 TRP 30 17.648 6.996 1.950 230 H LEU 31 HN LEU 31 17.073 0.656 0.274 231 HA LEU 31 HA LEU 31 19.525 1.692 1.162 232 HB2 LEU 31 HB2 LEU 31 17.421 -0.020 2.431 233 HB3 LEU 31 HB1 LEU 31 18.903 0.357 3.290 234 HG LEU 31 HG LEU 31 17.187 2.535 2.141 235 HD11 LEU 31 HD11 LEU 31 16.099 2.727 4.316 236 HD12 LEU 31 HD12 LEU 31 16.926 1.268 4.861 237 HD13 LEU 31 HD13 LEU 31 15.744 1.176 3.556 238 HD21 LEU 31 HD21 LEU 31 18.271 3.886 3.821 239 HD22 LEU 31 HD22 LEU 31 19.492 3.048 2.864 240 HD23 LEU 31 HD23 LEU 31 19.088 2.469 4.479 241 H ASN 32 HN ASN 32 18.545 -1.529 0.218 242 HA ASN 32 HA ASN 32 20.761 -2.920 1.307 243 HB2 ASN 32 HB2 ASN 32 18.887 -3.600 -0.965 244 HB3 ASN 32 HB1 ASN 32 20.114 -4.705 -0.352 245 HD21 ASN 32 HD21 ASN 32 17.228 -5.000 -0.403 246 HD22 ASN 32 HD22 ASN 32 16.734 -5.228 1.237 247 H LYS 33 HN LYS 33 20.431 -0.835 -1.362 248 HA LYS 33 HA LYS 33 22.690 -1.927 -2.820 249 HB2 LYS 33 HB2 LYS 33 20.780 -1.004 -4.057 250 HB3 LYS 33 HB1 LYS 33 21.044 0.564 -3.308 251 HG2 LYS 33 HG2 LYS 33 23.304 -0.643 -4.800 252 HG3 LYS 33 HG1 LYS 33 21.939 -0.022 -5.730 253 HD2 LYS 33 HD2 LYS 33 22.176 2.147 -4.576 254 HD3 LYS 33 HD1 LYS 33 23.581 1.516 -3.715 255 HE2 LYS 33 HE2 LYS 33 24.732 1.173 -5.846 256 HE3 LYS 33 HE1 LYS 33 23.326 1.793 -6.709 257 HZ1 LYS 33 HZ1 LYS 33 24.980 3.325 -4.774 258 HZ2 LYS 33 HZ2 LYS 33 23.634 3.922 -5.608 259 HZ3 LYS 33 HZ3 LYS 33 25.030 3.485 -6.458 260 H ARG 34 HN ARG 34 21.944 0.769 -0.696 261 HA ARG 34 HA ARG 34 24.636 1.849 -0.994 262 HB2 ARG 34 HB2 ARG 34 23.841 3.663 0.474 263 HB3 ARG 34 HB1 ARG 34 22.813 3.455 -0.935 264 HG2 ARG 34 HG2 ARG 34 21.139 2.343 0.377 265 HG3 ARG 34 HG1 ARG 34 22.196 2.335 1.791 266 HD2 ARG 34 HD2 ARG 34 21.126 4.798 0.414 267 HD3 ARG 34 HD1 ARG 34 20.497 4.109 1.909 268 HE ARG 34 HE ARG 34 23.264 4.638 2.156 269 HH11 ARG 34 HH11 ARG 34 20.168 6.238 2.052 270 HH12 ARG 34 HH12 ARG 34 20.693 7.591 2.998 271 HH21 ARG 34 HH21 ARG 34 23.959 6.415 3.401 272 HH22 ARG 34 HH22 ARG 34 22.847 7.692 3.762 273 H LYS 35 HN LYS 35 24.011 -0.776 0.286 274 HA LYS 35 HA LYS 35 24.273 -0.665 3.061 275 HB2 LYS 35 HB2 LYS 35 25.205 -2.997 2.828 276 HB3 LYS 35 HB1 LYS 35 23.644 -2.728 2.067 277 HG2 LYS 35 HG2 LYS 35 24.828 -2.435 -0.104 278 HG3 LYS 35 HG1 LYS 35 26.324 -2.896 0.708 279 HD2 LYS 35 HD2 LYS 35 23.838 -4.599 0.537 280 HD3 LYS 35 HD1 LYS 35 25.269 -4.784 -0.478 281 HE2 LYS 35 HE2 LYS 35 26.619 -5.237 1.516 282 HE3 LYS 35 HE1 LYS 35 25.185 -5.058 2.526 283 HZ1 LYS 35 HZ1 LYS 35 25.649 -7.377 2.104 284 HZ2 LYS 35 HZ2 LYS 35 25.595 -7.124 0.432 285 HZ3 LYS 35 HZ3 LYS 35 24.193 -6.942 1.360 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -26.167 1.414 -4.839 2 H2 MET 1 HT2 MET 1 -27.430 0.424 -4.304 3 H3 MET 1 HT3 MET 1 -26.633 0.068 -5.752 4 HA MET 1 HA MET 1 -25.922 -1.417 -4.005 5 HB2 MET 1 HB2 MET 1 -24.336 -0.766 -5.780 6 HB3 MET 1 HB1 MET 1 -23.799 0.589 -4.797 7 HG2 MET 1 HG2 MET 1 -22.256 -1.318 -4.723 8 HG3 MET 1 HG1 MET 1 -22.905 -0.902 -3.138 9 HE1 MET 1 HE1 MET 1 -23.186 -3.357 -6.193 10 HE2 MET 1 HE2 MET 1 -24.850 -2.811 -5.980 11 HE3 MET 1 HE3 MET 1 -24.418 -4.485 -5.627 12 H THR 2 HN THR 2 -24.942 -1.749 -1.985 13 HA THR 2 HA THR 2 -25.614 0.236 -0.025 14 HB THR 2 HB THR 2 -24.170 -1.661 1.339 15 HG1 THR 2 HG1 THR 2 -23.983 -2.849 -0.675 16 HG21 THR 2 HG21 THR 2 -27.095 -1.745 0.590 17 HG22 THR 2 HG22 THR 2 -26.392 -0.844 1.932 18 HG23 THR 2 HG23 THR 2 -26.356 -2.607 1.939 19 H PHE 3 HN PHE 3 -24.344 1.692 0.907 20 HA PHE 3 HA PHE 3 -21.753 2.232 -0.057 21 HB2 PHE 3 HB2 PHE 3 -23.516 3.771 1.138 22 HB3 PHE 3 HB1 PHE 3 -22.676 3.261 2.599 23 HD1 PHE 3 HD1 PHE 3 -21.897 4.543 -0.808 24 HD2 PHE 3 HD2 PHE 3 -20.933 4.558 3.334 25 HE1 PHE 3 HE1 PHE 3 -20.171 6.243 -1.222 26 HE2 PHE 3 HE2 PHE 3 -19.204 6.263 2.930 27 HZ PHE 3 HZ PHE 3 -18.821 7.109 0.649 28 H ALA 4 HN ALA 4 -22.933 0.476 2.746 29 HA ALA 4 HA ALA 4 -20.427 0.254 4.070 30 HB1 ALA 4 HB1 ALA 4 -22.882 -1.485 4.304 31 HB2 ALA 4 HB2 ALA 4 -22.531 -0.046 5.263 32 HB3 ALA 4 HB3 ALA 4 -21.513 -1.479 5.416 33 H GLU 5 HN GLU 5 -22.200 -1.839 1.825 34 HA GLU 5 HA GLU 5 -20.343 -3.975 1.903 35 HB2 GLU 5 HB2 GLU 5 -22.408 -3.188 -0.154 36 HB3 GLU 5 HB1 GLU 5 -21.448 -4.658 -0.260 37 HG2 GLU 5 HG2 GLU 5 -23.331 -3.949 1.979 38 HG3 GLU 5 HG1 GLU 5 -23.666 -5.077 0.665 39 H LEU 6 HN LEU 6 -20.560 -1.020 0.052 40 HA LEU 6 HA LEU 6 -18.375 -1.796 -1.703 41 HB2 LEU 6 HB2 LEU 6 -20.411 -0.394 -2.389 42 HB3 LEU 6 HB1 LEU 6 -19.650 0.923 -1.513 43 HG LEU 6 HG LEU 6 -17.930 -0.406 -3.506 44 HD11 LEU 6 HD11 LEU 6 -20.299 1.261 -4.344 45 HD12 LEU 6 HD12 LEU 6 -20.047 -0.447 -4.701 46 HD13 LEU 6 HD13 LEU 6 -18.968 0.765 -5.389 47 HD21 LEU 6 HD21 LEU 6 -17.156 1.536 -2.306 48 HD22 LEU 6 HD22 LEU 6 -18.577 2.454 -2.801 49 HD23 LEU 6 HD23 LEU 6 -17.384 1.960 -4.002 50 H GLY 7 HN GLY 7 -18.790 -0.387 1.335 51 HA2 GLY 7 HA2 GLY 7 -16.672 1.495 1.348 52 HA3 GLY 7 HA1 GLY 7 -17.391 0.746 2.764 53 H MET 8 HN MET 8 -16.811 -1.884 2.443 54 HA MET 8 HA MET 8 -14.085 -1.979 3.221 55 HB2 MET 8 HB2 MET 8 -16.002 -4.217 2.543 56 HB3 MET 8 HB1 MET 8 -14.439 -4.429 3.321 57 HG2 MET 8 HG2 MET 8 -16.675 -2.775 4.464 58 HG3 MET 8 HG1 MET 8 -16.392 -4.467 4.865 59 HE1 MET 8 HE1 MET 8 -16.281 -3.900 7.414 60 HE2 MET 8 HE2 MET 8 -16.544 -2.184 7.107 61 HE3 MET 8 HE3 MET 8 -15.202 -2.701 8.127 62 H ALA 9 HN ALA 9 -15.799 -3.038 0.299 63 HA ALA 9 HA ALA 9 -13.608 -4.217 -0.999 64 HB1 ALA 9 HB1 ALA 9 -14.922 -4.017 -3.037 65 HB2 ALA 9 HB2 ALA 9 -16.005 -2.873 -2.244 66 HB3 ALA 9 HB3 ALA 9 -15.936 -4.548 -1.695 67 H PHE 10 HN PHE 10 -14.880 -0.914 -1.126 68 HA PHE 10 HA PHE 10 -12.995 0.039 -3.021 69 HB2 PHE 10 HB2 PHE 10 -14.993 1.273 -2.852 70 HB3 PHE 10 HB1 PHE 10 -14.887 1.375 -1.100 71 HD1 PHE 10 HD1 PHE 10 -12.519 2.243 -3.861 72 HD2 PHE 10 HD2 PHE 10 -14.697 3.545 -0.444 73 HE1 PHE 10 HE1 PHE 10 -11.478 4.463 -4.049 74 HE2 PHE 10 HE2 PHE 10 -13.656 5.768 -0.623 75 HZ PHE 10 HZ PHE 10 -12.044 6.229 -2.427 76 H TRP 11 HN TRP 11 -13.161 0.282 0.532 77 HA TRP 11 HA TRP 11 -10.839 1.815 0.862 78 HB2 TRP 11 HB2 TRP 11 -12.510 0.109 2.612 79 HB3 TRP 11 HB1 TRP 11 -10.868 0.417 3.164 80 HD1 TRP 11 HD1 TRP 11 -14.229 1.874 3.325 81 HE1 TRP 11 HE1 TRP 11 -14.136 4.318 4.124 82 HE3 TRP 11 HE3 TRP 11 -9.217 2.718 2.773 83 HZ2 TRP 11 HZ2 TRP 11 -12.193 6.338 4.475 84 HZ3 TRP 11 HZ3 TRP 11 -8.322 4.932 3.364 85 HH2 TRP 11 HH2 TRP 11 -9.781 6.704 4.195 86 H HIS 12 HN HIS 12 -11.292 -1.684 0.704 87 HA HIS 12 HA HIS 12 -8.604 -2.350 1.304 88 HB2 HIS 12 HB2 HIS 12 -10.847 -3.860 -0.028 89 HB3 HIS 12 HB1 HIS 12 -9.248 -4.565 0.190 90 HD1 HIS 12 HD1 HIS 12 -10.870 -2.422 2.839 91 HD2 HIS 12 HD2 HIS 12 -10.041 -6.418 2.056 92 HE1 HIS 12 HE1 HIS 12 -11.362 -3.681 4.977 93 H ASP 13 HN ASP 13 -10.346 -1.787 -1.717 94 HA ASP 13 HA ASP 13 -8.255 -2.581 -3.443 95 HB2 ASP 13 HB2 ASP 13 -10.590 -2.396 -4.189 96 HB3 ASP 13 HB1 ASP 13 -10.524 -0.651 -3.965 97 H LEU 14 HN LEU 14 -9.182 0.587 -2.119 98 HA LEU 14 HA LEU 14 -7.141 1.990 -3.542 99 HB2 LEU 14 HB2 LEU 14 -7.837 3.919 -2.446 100 HB3 LEU 14 HB1 LEU 14 -9.296 2.973 -2.613 101 HG LEU 14 HG LEU 14 -8.653 2.188 -0.165 102 HD11 LEU 14 HD11 LEU 14 -7.478 4.959 -0.301 103 HD12 LEU 14 HD12 LEU 14 -6.531 3.477 -0.200 104 HD13 LEU 14 HD13 LEU 14 -7.608 3.926 1.123 105 HD21 LEU 14 HD21 LEU 14 -9.949 4.806 -0.909 106 HD22 LEU 14 HD22 LEU 14 -10.063 4.050 0.679 107 HD23 LEU 14 HD23 LEU 14 -10.739 3.239 -0.732 108 H ALA 15 HN ALA 15 -7.354 0.363 -0.486 109 HA ALA 15 HA ALA 15 -5.036 1.497 0.691 110 HB1 ALA 15 HB1 ALA 15 -6.290 -1.176 1.294 111 HB2 ALA 15 HB2 ALA 15 -6.819 0.363 1.975 112 HB3 ALA 15 HB3 ALA 15 -5.204 -0.252 2.335 113 H ALA 16 HN ALA 16 -5.583 -1.254 -1.425 114 HA ALA 16 HA ALA 16 -3.276 -2.698 -1.115 115 HB1 ALA 16 HB1 ALA 16 -5.215 -3.237 -2.616 116 HB2 ALA 16 HB2 ALA 16 -3.620 -3.591 -3.280 117 HB3 ALA 16 HB3 ALA 16 -4.497 -2.158 -3.811 118 HA PRO 17 HA PRO 17 -0.831 0.101 -4.186 119 HB2 PRO 17 HB2 PRO 17 -1.871 2.526 -4.847 120 HB3 PRO 17 HB1 PRO 17 -2.208 1.053 -5.776 121 HG2 PRO 17 HG2 PRO 17 -3.889 2.412 -3.731 122 HG3 PRO 17 HG1 PRO 17 -4.360 1.682 -5.279 123 HD2 PRO 17 HD2 PRO 17 -4.710 0.423 -2.909 124 HD3 PRO 17 HD1 PRO 17 -4.399 -0.442 -4.424 125 H VAL 18 HN VAL 18 -2.700 1.566 -1.614 126 HA VAL 18 HA VAL 18 -0.897 3.675 -1.000 127 HB VAL 18 HB VAL 18 -2.988 2.307 0.703 128 HG11 VAL 18 HG11 VAL 18 -1.306 3.321 2.139 129 HG12 VAL 18 HG12 VAL 18 -2.812 4.236 2.204 130 HG13 VAL 18 HG13 VAL 18 -1.452 4.843 1.259 131 HG21 VAL 18 HG21 VAL 18 -4.415 4.117 0.163 132 HG22 VAL 18 HG22 VAL 18 -3.701 3.590 -1.361 133 HG23 VAL 18 HG23 VAL 18 -3.095 5.037 -0.558 134 H ILE 19 HN ILE 19 -1.408 0.458 0.397 135 HA ILE 19 HA ILE 19 0.698 0.640 2.290 136 HB ILE 19 HB ILE 19 -0.585 -1.847 1.154 137 HG12 ILE 19 HG12 ILE 19 -1.346 -0.522 3.742 138 HG13 ILE 19 HG11 ILE 19 -2.083 -0.015 2.226 139 HG21 ILE 19 HG21 ILE 19 1.491 -2.289 2.345 140 HG22 ILE 19 HG22 ILE 19 0.106 -2.882 3.262 141 HG23 ILE 19 HG23 ILE 19 0.900 -1.381 3.736 142 HD11 ILE 19 HD11 ILE 19 -3.450 -1.641 3.435 143 HD12 ILE 19 HD12 ILE 19 -2.136 -2.813 3.331 144 HD13 ILE 19 HD13 ILE 19 -2.933 -2.248 1.862 145 H ALA 20 HN ALA 20 0.414 -0.821 -0.927 146 HA ALA 20 HA ALA 20 2.970 -1.995 -1.011 147 HB1 ALA 20 HB1 ALA 20 2.632 -2.141 -3.417 148 HB2 ALA 20 HB2 ALA 20 1.290 -1.002 -3.312 149 HB3 ALA 20 HB3 ALA 20 1.160 -2.591 -2.556 150 H GLY 21 HN GLY 21 1.812 1.231 -1.832 151 HA2 GLY 21 HA2 GLY 21 4.126 2.167 -3.137 152 HA3 GLY 21 HA1 GLY 21 2.929 3.174 -2.334 153 H ILE 22 HN ILE 22 3.169 2.300 0.278 154 HA ILE 22 HA ILE 22 5.451 3.743 1.144 155 HB ILE 22 HB ILE 22 3.681 1.897 2.756 156 HG12 ILE 22 HG12 ILE 22 3.488 4.901 2.495 157 HG13 ILE 22 HG11 ILE 22 2.532 3.792 1.518 158 HG21 ILE 22 HG21 ILE 22 4.453 3.217 4.679 159 HG22 ILE 22 HG22 ILE 22 5.538 4.114 3.617 160 HG23 ILE 22 HG23 ILE 22 5.785 2.386 3.873 161 HD11 ILE 22 HD11 ILE 22 1.260 4.628 3.406 162 HD12 ILE 22 HD12 ILE 22 2.475 4.000 4.520 163 HD13 ILE 22 HD13 ILE 22 1.514 2.889 3.542 164 H LEU 23 HN LEU 23 4.685 0.311 0.896 165 HA LEU 23 HA LEU 23 6.954 -0.684 2.234 166 HB2 LEU 23 HB2 LEU 23 5.059 -2.108 1.827 167 HB3 LEU 23 HB1 LEU 23 5.203 -1.889 0.095 168 HG LEU 23 HG LEU 23 7.310 -3.140 0.097 169 HD11 LEU 23 HD11 LEU 23 8.117 -2.589 2.312 170 HD12 LEU 23 HD12 LEU 23 8.015 -4.339 2.125 171 HD13 LEU 23 HD13 LEU 23 6.782 -3.477 3.046 172 HD21 LEU 23 HD21 LEU 23 6.383 -5.331 0.540 173 HD22 LEU 23 HD22 LEU 23 5.166 -4.307 -0.221 174 HD23 LEU 23 HD23 LEU 23 5.097 -4.618 1.513 175 H ALA 24 HN ALA 24 6.389 0.319 -1.077 176 HA ALA 24 HA ALA 24 8.716 -0.729 -2.247 177 HB1 ALA 24 HB1 ALA 24 8.351 0.919 -4.019 178 HB2 ALA 24 HB2 ALA 24 7.179 1.756 -3.000 179 HB3 ALA 24 HB3 ALA 24 6.845 0.119 -3.566 180 H SER 25 HN SER 25 8.070 2.381 -0.681 181 HA SER 25 HA SER 25 10.549 3.587 -1.165 182 HB2 SER 25 HB2 SER 25 8.628 4.854 -0.332 183 HB3 SER 25 HB1 SER 25 8.674 3.957 1.185 184 HG SER 25 HG SER 25 10.843 5.508 0.225 185 H MET 26 HN MET 26 9.492 1.325 1.295 186 HA MET 26 HA MET 26 11.754 1.540 2.983 187 HB2 MET 26 HB2 MET 26 9.836 -0.766 2.588 188 HB3 MET 26 HB1 MET 26 10.988 -0.623 3.909 189 HG2 MET 26 HG2 MET 26 9.858 1.332 4.741 190 HG3 MET 26 HG1 MET 26 8.763 1.326 3.361 191 HE1 MET 26 HE1 MET 26 8.809 -2.024 6.538 192 HE2 MET 26 HE2 MET 26 9.921 -0.655 6.562 193 HE3 MET 26 HE3 MET 26 10.030 -1.858 5.277 194 H ILE 27 HN ILE 27 10.930 -0.620 0.304 195 HA ILE 27 HA ILE 27 13.202 -2.271 0.456 196 HB ILE 27 HB ILE 27 11.514 -1.571 -1.951 197 HG12 ILE 27 HG12 ILE 27 11.431 -3.987 -0.130 198 HG13 ILE 27 HG11 ILE 27 10.306 -2.635 -0.052 199 HG21 ILE 27 HG21 ILE 27 12.421 -3.633 -2.941 200 HG22 ILE 27 HG22 ILE 27 13.505 -3.804 -1.561 201 HG23 ILE 27 HG23 ILE 27 13.674 -2.427 -2.650 202 HD11 ILE 27 HD11 ILE 27 9.510 -3.148 -2.285 203 HD12 ILE 27 HD12 ILE 27 9.360 -4.551 -1.226 204 HD13 ILE 27 HD13 ILE 27 10.667 -4.472 -2.407 205 H VAL 28 HN VAL 28 12.567 0.698 -1.381 206 HA VAL 28 HA VAL 28 15.023 0.739 -2.773 207 HB VAL 28 HB VAL 28 13.238 3.061 -2.023 208 HG11 VAL 28 HG11 VAL 28 15.434 2.856 -4.083 209 HG12 VAL 28 HG12 VAL 28 15.459 3.834 -2.616 210 HG13 VAL 28 HG13 VAL 28 14.324 4.215 -3.912 211 HG21 VAL 28 HG21 VAL 28 12.331 2.819 -4.280 212 HG22 VAL 28 HG22 VAL 28 12.080 1.354 -3.332 213 HG23 VAL 28 HG23 VAL 28 13.358 1.411 -4.546 214 H ASN 29 HN ASN 29 14.002 2.164 0.304 215 HA ASN 29 HA ASN 29 16.328 3.644 0.825 216 HB2 ASN 29 HB2 ASN 29 14.290 2.399 2.674 217 HB3 ASN 29 HB1 ASN 29 15.605 3.416 3.251 218 HD21 ASN 29 HD21 ASN 29 12.729 3.829 3.394 219 HD22 ASN 29 HD22 ASN 29 12.418 5.331 2.600 220 H TRP 30 HN TRP 30 15.523 0.277 1.353 221 HA TRP 30 HA TRP 30 17.777 -0.363 2.959 222 HB2 TRP 30 HB2 TRP 30 16.044 -1.897 3.168 223 HB3 TRP 30 HB1 TRP 30 15.728 -1.932 1.438 224 HD1 TRP 30 HD1 TRP 30 18.718 -2.987 3.706 225 HE1 TRP 30 HE1 TRP 30 19.572 -5.261 2.851 226 HE3 TRP 30 HE3 TRP 30 15.506 -3.639 -0.218 227 HZ2 TRP 30 HZ2 TRP 30 18.964 -7.087 0.785 228 HZ3 TRP 30 HZ3 TRP 30 15.707 -5.675 -1.584 229 HH2 TRP 30 HH2 TRP 30 17.402 -7.362 -1.092 230 H LEU 31 HN LEU 31 17.080 -0.799 -0.504 231 HA LEU 31 HA LEU 31 19.533 -1.993 -1.175 232 HB2 LEU 31 HB2 LEU 31 17.379 -0.607 -2.693 233 HB3 LEU 31 HB1 LEU 31 18.906 -0.909 -3.502 234 HG LEU 31 HG LEU 31 17.298 -3.083 -2.170 235 HD11 LEU 31 HD11 LEU 31 15.955 -2.098 -3.934 236 HD12 LEU 31 HD12 LEU 31 16.545 -3.686 -4.424 237 HD13 LEU 31 HD13 LEU 31 17.307 -2.228 -5.059 238 HD21 LEU 31 HD21 LEU 31 18.676 -4.561 -3.519 239 HD22 LEU 31 HD22 LEU 31 19.687 -3.536 -2.500 240 HD23 LEU 31 HD23 LEU 31 19.511 -3.173 -4.216 241 H ASN 32 HN ASN 32 18.573 1.360 -0.857 242 HA ASN 32 HA ASN 32 20.843 2.486 -2.132 243 HB2 ASN 32 HB2 ASN 32 18.803 3.575 -0.204 244 HB3 ASN 32 HB1 ASN 32 20.163 4.550 -0.753 245 HD21 ASN 32 HD21 ASN 32 18.593 2.164 -2.763 246 HD22 ASN 32 HD22 ASN 32 17.869 3.284 -3.860 247 H LYS 33 HN LYS 33 20.468 0.879 0.805 248 HA LYS 33 HA LYS 33 22.679 2.250 2.120 249 HB2 LYS 33 HB2 LYS 33 20.762 1.668 3.499 250 HB3 LYS 33 HB1 LYS 33 20.899 -0.020 3.029 251 HG2 LYS 33 HG2 LYS 33 23.268 1.217 4.300 252 HG3 LYS 33 HG1 LYS 33 21.859 0.924 5.322 253 HD2 LYS 33 HD2 LYS 33 21.861 -1.428 4.663 254 HD3 LYS 33 HD1 LYS 33 23.248 -1.141 3.610 255 HE2 LYS 33 HE2 LYS 33 23.193 -0.801 6.608 256 HE3 LYS 33 HE1 LYS 33 23.934 -2.138 5.731 257 HZ1 LYS 33 HZ1 LYS 33 25.579 -0.501 6.377 258 HZ2 LYS 33 HZ2 LYS 33 24.744 0.713 5.549 259 HZ3 LYS 33 HZ3 LYS 33 25.449 -0.562 4.691 260 H ARG 34 HN ARG 34 21.870 -0.952 0.830 261 HA ARG 34 HA ARG 34 24.512 -1.976 1.385 262 HB2 ARG 34 HB2 ARG 34 23.714 -4.021 0.274 263 HB3 ARG 34 HB1 ARG 34 22.605 -3.480 1.527 264 HG2 ARG 34 HG2 ARG 34 21.090 -2.599 -0.112 265 HG3 ARG 34 HG1 ARG 34 22.236 -2.936 -1.411 266 HD2 ARG 34 HD2 ARG 34 20.944 -5.005 0.364 267 HD3 ARG 34 HD1 ARG 34 20.442 -4.617 -1.280 268 HE ARG 34 HE ARG 34 23.199 -5.331 -1.148 269 HH11 ARG 34 HH11 ARG 34 19.968 -6.639 -1.211 270 HH12 ARG 34 HH12 ARG 34 20.459 -8.158 -1.884 271 HH21 ARG 34 HH21 ARG 34 23.852 -7.326 -2.034 272 HH22 ARG 34 HH22 ARG 34 22.667 -8.549 -2.349 273 H LYS 35 HN LYS 35 24.112 0.356 -0.441 274 HA LYS 35 HA LYS 35 24.539 -0.335 -3.109 275 HB2 LYS 35 HB2 LYS 35 25.597 1.955 -3.275 276 HB3 LYS 35 HB1 LYS 35 23.969 1.913 -2.616 277 HG2 LYS 35 HG2 LYS 35 24.986 1.999 -0.329 278 HG3 LYS 35 HG1 LYS 35 26.547 2.270 -1.106 279 HD2 LYS 35 HD2 LYS 35 25.595 4.270 -2.217 280 HD3 LYS 35 HD1 LYS 35 24.096 4.017 -1.319 281 HE2 LYS 35 HE2 LYS 35 26.821 4.577 -0.152 282 HE3 LYS 35 HE1 LYS 35 25.457 5.693 -0.219 283 HZ1 LYS 35 HZ1 LYS 35 24.211 4.143 1.195 284 HZ2 LYS 35 HZ2 LYS 35 25.607 4.718 1.956 285 HZ3 LYS 35 HZ3 LYS 35 25.578 3.153 1.314 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -27.360 2.265 -3.186 2 H2 MET 1 HT2 MET 1 -27.985 0.694 -3.178 3 H3 MET 1 HT3 MET 1 -27.337 1.337 -4.601 4 HA MET 1 HA MET 1 -25.809 -0.223 -3.604 5 HB2 MET 1 HB2 MET 1 -24.919 1.688 -4.864 6 HB3 MET 1 HB1 MET 1 -24.909 2.658 -3.399 7 HG2 MET 1 HG2 MET 1 -22.686 1.831 -3.966 8 HG3 MET 1 HG1 MET 1 -23.240 1.213 -2.411 9 HE1 MET 1 HE1 MET 1 -24.266 0.050 -6.041 10 HE2 MET 1 HE2 MET 1 -23.115 -1.260 -6.305 11 HE3 MET 1 HE3 MET 1 -22.544 0.403 -6.172 12 H THR 2 HN THR 2 -24.451 -0.816 -1.864 13 HA THR 2 HA THR 2 -25.433 0.128 0.742 14 HB THR 2 HB THR 2 -23.974 -2.108 1.318 15 HG1 THR 2 HG1 THR 2 -25.231 -3.430 -0.545 16 HG21 THR 2 HG21 THR 2 -26.893 -2.017 0.546 17 HG22 THR 2 HG22 THR 2 -26.232 -1.587 2.123 18 HG23 THR 2 HG23 THR 2 -26.123 -3.249 1.545 19 H PHE 3 HN PHE 3 -24.139 1.161 2.097 20 HA PHE 3 HA PHE 3 -21.579 2.037 1.330 21 HB2 PHE 3 HB2 PHE 3 -23.296 3.048 3.019 22 HB3 PHE 3 HB1 PHE 3 -22.470 2.028 4.194 23 HD1 PHE 3 HD1 PHE 3 -21.543 4.339 1.426 24 HD2 PHE 3 HD2 PHE 3 -20.839 3.064 5.421 25 HE1 PHE 3 HE1 PHE 3 -19.796 6.058 1.660 26 HE2 PHE 3 HE2 PHE 3 -19.091 4.780 5.667 27 HZ PHE 3 HZ PHE 3 -18.568 6.280 3.784 28 H ALA 4 HN ALA 4 -22.663 -0.599 3.396 29 HA ALA 4 HA ALA 4 -20.107 -1.235 4.458 30 HB1 ALA 4 HB1 ALA 4 -22.174 -1.950 5.545 31 HB2 ALA 4 HB2 ALA 4 -21.138 -3.329 5.178 32 HB3 ALA 4 HB3 ALA 4 -22.544 -2.990 4.169 33 H GLU 5 HN GLU 5 -21.971 -2.447 1.704 34 HA GLU 5 HA GLU 5 -20.104 -4.448 0.960 35 HB2 GLU 5 HB2 GLU 5 -22.270 -3.060 -0.620 36 HB3 GLU 5 HB1 GLU 5 -21.336 -4.421 -1.224 37 HG2 GLU 5 HG2 GLU 5 -23.146 -4.434 1.181 38 HG3 GLU 5 HG1 GLU 5 -23.495 -5.144 -0.395 39 H LEU 6 HN LEU 6 -20.496 -1.055 0.150 40 HA LEU 6 HA LEU 6 -18.419 -1.146 -1.872 41 HB2 LEU 6 HB2 LEU 6 -20.535 0.366 -1.819 42 HB3 LEU 6 HB1 LEU 6 -19.596 1.362 -0.723 43 HG LEU 6 HG LEU 6 -18.323 0.640 -3.309 44 HD11 LEU 6 HD11 LEU 6 -20.512 2.701 -3.077 45 HD12 LEU 6 HD12 LEU 6 -20.608 1.189 -3.981 46 HD13 LEU 6 HD13 LEU 6 -19.472 2.444 -4.478 47 HD21 LEU 6 HD21 LEU 6 -18.385 3.025 -1.479 48 HD22 LEU 6 HD22 LEU 6 -17.662 3.083 -3.085 49 HD23 LEU 6 HD23 LEU 6 -17.021 1.979 -1.871 50 H GLY 7 HN GLY 7 -18.606 -0.821 1.489 51 HA2 GLY 7 HA2 GLY 7 -16.465 0.987 1.943 52 HA3 GLY 7 HA1 GLY 7 -17.101 -0.169 3.102 53 H MET 8 HN MET 8 -16.563 -2.570 2.139 54 HA MET 8 HA MET 8 -13.797 -2.864 2.590 55 HB2 MET 8 HB2 MET 8 -15.784 -4.827 1.429 56 HB3 MET 8 HB1 MET 8 -14.175 -5.240 2.006 57 HG2 MET 8 HG2 MET 8 -16.359 -4.051 3.699 58 HG3 MET 8 HG1 MET 8 -15.958 -5.766 3.620 59 HE1 MET 8 HE1 MET 8 -14.613 -4.853 7.154 60 HE2 MET 8 HE2 MET 8 -15.623 -5.947 6.207 61 HE3 MET 8 HE3 MET 8 -16.082 -4.254 6.384 62 H ALA 9 HN ALA 9 -15.728 -3.096 -0.386 63 HA ALA 9 HA ALA 9 -13.645 -3.835 -2.105 64 HB1 ALA 9 HB1 ALA 9 -16.098 -2.213 -2.777 65 HB2 ALA 9 HB2 ALA 9 -16.023 -3.974 -2.700 66 HB3 ALA 9 HB3 ALA 9 -15.087 -3.104 -3.916 67 H PHE 10 HN PHE 10 -14.879 -0.608 -1.263 68 HA PHE 10 HA PHE 10 -13.077 0.787 -2.957 69 HB2 PHE 10 HB2 PHE 10 -15.044 1.947 -2.364 70 HB3 PHE 10 HB1 PHE 10 -14.820 1.623 -0.650 71 HD1 PHE 10 HD1 PHE 10 -14.509 3.563 0.502 72 HD2 PHE 10 HD2 PHE 10 -12.631 3.114 -3.291 73 HE1 PHE 10 HE1 PHE 10 -13.422 5.751 0.787 74 HE2 PHE 10 HE2 PHE 10 -11.542 5.303 -3.016 75 HZ PHE 10 HZ PHE 10 -11.936 6.625 -0.975 76 H TRP 11 HN TRP 11 -13.043 0.075 0.530 77 HA TRP 11 HA TRP 11 -10.685 1.472 1.117 78 HB2 TRP 11 HB2 TRP 11 -12.265 -0.658 2.457 79 HB3 TRP 11 HB1 TRP 11 -10.619 -0.394 3.017 80 HD1 TRP 11 HD1 TRP 11 -14.060 0.874 3.489 81 HE1 TRP 11 HE1 TRP 11 -14.043 3.039 4.876 82 HE3 TRP 11 HE3 TRP 11 -9.065 1.932 3.273 83 HZ2 TRP 11 HZ2 TRP 11 -12.158 4.944 5.766 84 HZ3 TRP 11 HZ3 TRP 11 -8.236 3.944 4.421 85 HH2 TRP 11 HH2 TRP 11 -9.752 5.419 5.639 86 H HIS 12 HN HIS 12 -11.212 -1.848 0.049 87 HA HIS 12 HA HIS 12 -8.515 -2.680 0.329 88 HB2 HIS 12 HB2 HIS 12 -10.831 -3.745 -1.282 89 HB3 HIS 12 HB1 HIS 12 -9.239 -4.495 -1.323 90 HD1 HIS 12 HD1 HIS 12 -10.518 -3.162 1.932 91 HD2 HIS 12 HD2 HIS 12 -10.235 -6.786 -0.080 92 HE1 HIS 12 HE1 HIS 12 -11.028 -4.960 3.635 93 H ASP 13 HN ASP 13 -10.371 -1.294 -2.328 94 HA ASP 13 HA ASP 13 -8.380 -1.583 -4.311 95 HB2 ASP 13 HB2 ASP 13 -10.783 -1.195 -4.793 96 HB3 ASP 13 HB1 ASP 13 -10.616 0.448 -4.183 97 H LEU 14 HN LEU 14 -9.211 1.094 -2.127 98 HA LEU 14 HA LEU 14 -7.235 2.847 -3.207 99 HB2 LEU 14 HB2 LEU 14 -7.834 4.381 -1.538 100 HB3 LEU 14 HB1 LEU 14 -9.314 3.560 -1.978 101 HG LEU 14 HG LEU 14 -8.700 2.049 0.100 102 HD11 LEU 14 HD11 LEU 14 -7.578 3.237 1.844 103 HD12 LEU 14 HD12 LEU 14 -7.445 4.682 0.842 104 HD13 LEU 14 HD13 LEU 14 -6.531 3.234 0.424 105 HD21 LEU 14 HD21 LEU 14 -9.850 4.827 0.343 106 HD22 LEU 14 HD22 LEU 14 -10.110 3.491 1.464 107 HD23 LEU 14 HD23 LEU 14 -10.732 3.393 -0.182 108 H ALA 15 HN ALA 15 -7.296 0.440 -0.709 109 HA ALA 15 HA ALA 15 -4.914 1.226 0.615 110 HB1 ALA 15 HB1 ALA 15 -6.625 -0.236 1.627 111 HB2 ALA 15 HB2 ALA 15 -5.002 -0.925 1.700 112 HB3 ALA 15 HB3 ALA 15 -6.159 -1.516 0.506 113 H ALA 16 HN ALA 16 -5.587 -0.832 -2.149 114 HA ALA 16 HA ALA 16 -3.278 -2.282 -2.392 115 HB1 ALA 16 HB1 ALA 16 -5.230 -2.485 -3.878 116 HB2 ALA 16 HB2 ALA 16 -3.707 -2.409 -4.765 117 HB3 ALA 16 HB3 ALA 16 -4.753 -0.992 -4.685 118 HA PRO 17 HA PRO 17 -0.962 1.302 -4.647 119 HB2 PRO 17 HB2 PRO 17 -2.013 3.806 -4.521 120 HB3 PRO 17 HB1 PRO 17 -2.418 2.664 -5.818 121 HG2 PRO 17 HG2 PRO 17 -3.961 3.348 -3.364 122 HG3 PRO 17 HG1 PRO 17 -4.530 3.125 -5.031 123 HD2 PRO 17 HD2 PRO 17 -4.778 1.201 -3.152 124 HD3 PRO 17 HD1 PRO 17 -4.532 0.834 -4.869 125 H VAL 18 HN VAL 18 -2.690 1.931 -1.672 126 HA VAL 18 HA VAL 18 -0.845 3.791 -0.562 127 HB VAL 18 HB VAL 18 -2.879 1.995 0.774 128 HG11 VAL 18 HG11 VAL 18 -1.162 2.583 2.378 129 HG12 VAL 18 HG12 VAL 18 -2.643 3.475 2.727 130 HG13 VAL 18 HG13 VAL 18 -1.293 4.284 1.931 131 HG21 VAL 18 HG21 VAL 18 -3.051 4.965 0.339 132 HG22 VAL 18 HG22 VAL 18 -4.340 3.841 0.775 133 HG23 VAL 18 HG23 VAL 18 -3.646 3.803 -0.846 134 H ILE 19 HN ILE 19 -1.307 0.302 -0.185 135 HA ILE 19 HA ILE 19 0.841 -0.077 1.635 136 HB ILE 19 HB ILE 19 -0.482 -2.109 -0.168 137 HG12 ILE 19 HG12 ILE 19 -1.143 -1.614 2.726 138 HG13 ILE 19 HG11 ILE 19 -1.948 -0.716 1.443 139 HG21 ILE 19 HG21 ILE 19 1.122 -2.435 2.364 140 HG22 ILE 19 HG22 ILE 19 1.612 -2.916 0.739 141 HG23 ILE 19 HG23 ILE 19 0.262 -3.730 1.531 142 HD11 ILE 19 HD11 ILE 19 -1.930 -3.711 1.718 143 HD12 ILE 19 HD12 ILE 19 -2.792 -2.773 0.497 144 HD13 ILE 19 HD13 ILE 19 -3.249 -2.642 2.195 145 H ALA 20 HN ALA 20 0.501 -0.354 -1.867 146 HA ALA 20 HA ALA 20 3.053 -1.490 -2.352 147 HB1 ALA 20 HB1 ALA 20 1.405 0.154 -4.266 148 HB2 ALA 20 HB2 ALA 20 1.118 -1.553 -3.927 149 HB3 ALA 20 HB3 ALA 20 2.638 -1.044 -4.665 150 H GLY 21 HN GLY 21 1.886 1.817 -2.087 151 HA2 GLY 21 HA2 GLY 21 4.209 3.073 -3.137 152 HA3 GLY 21 HA1 GLY 21 2.984 3.838 -2.136 153 H ILE 22 HN ILE 22 3.165 2.375 0.187 154 HA ILE 22 HA ILE 22 5.443 3.538 1.417 155 HB ILE 22 HB ILE 22 3.585 1.421 2.515 156 HG12 ILE 22 HG12 ILE 22 3.493 4.427 2.858 157 HG13 ILE 22 HG11 ILE 22 2.451 3.516 1.770 158 HG21 ILE 22 HG21 ILE 22 5.658 1.552 3.768 159 HG22 ILE 22 HG22 ILE 22 4.335 2.236 4.712 160 HG23 ILE 22 HG23 ILE 22 5.488 3.302 3.908 161 HD11 ILE 22 HD11 ILE 22 2.549 3.233 4.764 162 HD12 ILE 22 HD12 ILE 22 1.499 2.329 3.673 163 HD13 ILE 22 HD13 ILE 22 1.308 4.074 3.836 164 H LEU 23 HN LEU 23 4.653 0.298 0.303 165 HA LEU 23 HA LEU 23 6.839 -1.048 1.471 166 HB2 LEU 23 HB2 LEU 23 4.940 -2.287 0.682 167 HB3 LEU 23 HB1 LEU 23 5.151 -1.675 -0.947 168 HG LEU 23 HG LEU 23 7.275 -2.933 -1.121 169 HD11 LEU 23 HD11 LEU 23 7.876 -3.013 1.229 170 HD12 LEU 23 HD12 LEU 23 7.784 -4.643 0.562 171 HD13 LEU 23 HD13 LEU 23 6.476 -4.028 1.572 172 HD21 LEU 23 HD21 LEU 23 6.263 -5.143 -1.314 173 HD22 LEU 23 HD22 LEU 23 5.185 -3.896 -1.942 174 HD23 LEU 23 HD23 LEU 23 4.884 -4.604 -0.355 175 H ALA 24 HN ALA 24 6.430 0.632 -1.595 176 HA ALA 24 HA ALA 24 8.812 -0.196 -2.831 177 HB1 ALA 24 HB1 ALA 24 7.347 2.415 -3.191 178 HB2 ALA 24 HB2 ALA 24 6.961 0.904 -4.015 179 HB3 ALA 24 HB3 ALA 24 8.506 1.701 -4.312 180 H SER 25 HN SER 25 8.113 2.594 -0.758 181 HA SER 25 HA SER 25 10.630 3.817 -0.951 182 HB2 SER 25 HB2 SER 25 8.622 3.893 1.314 183 HB3 SER 25 HB1 SER 25 9.997 4.986 1.145 184 HG SER 25 HG SER 25 7.857 5.691 0.299 185 H MET 26 HN MET 26 9.411 1.294 1.193 186 HA MET 26 HA MET 26 11.620 1.254 2.954 187 HB2 MET 26 HB2 MET 26 9.618 -0.896 2.250 188 HB3 MET 26 HB1 MET 26 10.803 -1.042 3.542 189 HG2 MET 26 HG2 MET 26 9.801 1.058 4.522 190 HG3 MET 26 HG1 MET 26 8.495 0.866 3.354 191 HE1 MET 26 HE1 MET 26 6.794 -1.183 3.347 192 HE2 MET 26 HE2 MET 26 6.958 -2.578 4.415 193 HE3 MET 26 HE3 MET 26 8.177 -2.265 3.179 194 H ILE 27 HN ILE 27 10.920 -0.514 -0.031 195 HA ILE 27 HA ILE 27 13.175 -2.221 0.087 196 HB ILE 27 HB ILE 27 11.639 -1.303 -2.349 197 HG12 ILE 27 HG12 ILE 27 11.336 -3.827 -0.704 198 HG13 ILE 27 HG11 ILE 27 10.266 -2.433 -0.598 199 HG21 ILE 27 HG21 ILE 27 12.541 -3.304 -3.426 200 HG22 ILE 27 HG22 ILE 27 13.476 -3.669 -1.977 201 HG23 ILE 27 HG23 ILE 27 13.833 -2.219 -2.914 202 HD11 ILE 27 HD11 ILE 27 9.648 -2.752 -2.948 203 HD12 ILE 27 HD12 ILE 27 9.281 -4.167 -1.961 204 HD13 ILE 27 HD13 ILE 27 10.693 -4.171 -3.017 205 H VAL 28 HN VAL 28 12.626 0.929 -1.453 206 HA VAL 28 HA VAL 28 15.151 1.070 -2.731 207 HB VAL 28 HB VAL 28 13.330 3.330 -1.885 208 HG11 VAL 28 HG11 VAL 28 15.608 4.099 -2.308 209 HG12 VAL 28 HG12 VAL 28 14.512 4.649 -3.576 210 HG13 VAL 28 HG13 VAL 28 15.598 3.292 -3.877 211 HG21 VAL 28 HG21 VAL 28 12.474 3.266 -4.143 212 HG22 VAL 28 HG22 VAL 28 12.286 1.677 -3.401 213 HG23 VAL 28 HG23 VAL 28 13.584 1.961 -4.561 214 H ASN 29 HN ASN 29 13.991 2.096 0.438 215 HA ASN 29 HA ASN 29 16.273 3.574 1.189 216 HB2 ASN 29 HB2 ASN 29 14.146 2.172 2.807 217 HB3 ASN 29 HB1 ASN 29 15.436 3.113 3.549 218 HD21 ASN 29 HD21 ASN 29 12.553 3.541 3.576 219 HD22 ASN 29 HD22 ASN 29 12.298 5.122 2.927 220 H TRP 30 HN TRP 30 15.426 0.168 1.489 221 HA TRP 30 HA TRP 30 17.674 -0.564 3.067 222 HB2 TRP 30 HB2 TRP 30 15.949 -2.108 3.209 223 HB3 TRP 30 HB1 TRP 30 15.610 -2.047 1.484 224 HD1 TRP 30 HD1 TRP 30 18.599 -3.245 3.675 225 HE1 TRP 30 HE1 TRP 30 19.452 -5.463 2.684 226 HE3 TRP 30 HE3 TRP 30 15.407 -3.635 -0.297 227 HZ2 TRP 30 HZ2 TRP 30 18.847 -7.155 0.499 228 HZ3 TRP 30 HZ3 TRP 30 15.609 -5.575 -1.791 229 HH2 TRP 30 HH2 TRP 30 17.295 -7.301 -1.400 230 H LEU 31 HN LEU 31 16.969 -0.813 -0.406 231 HA LEU 31 HA LEU 31 19.377 -2.018 -1.167 232 HB2 LEU 31 HB2 LEU 31 17.341 -0.368 -2.604 233 HB3 LEU 31 HB1 LEU 31 18.826 -0.830 -3.416 234 HG LEU 31 HG LEU 31 17.059 -2.881 -2.117 235 HD11 LEU 31 HD11 LEU 31 15.682 -1.608 -3.686 236 HD12 LEU 31 HD12 LEU 31 15.995 -3.240 -4.274 237 HD13 LEU 31 HD13 LEU 31 16.880 -1.874 -4.951 238 HD21 LEU 31 HD21 LEU 31 18.141 -4.368 -3.721 239 HD22 LEU 31 HD22 LEU 31 19.330 -3.548 -2.710 240 HD23 LEU 31 HD23 LEU 31 19.062 -3.010 -4.367 241 H ASN 32 HN ASN 32 18.507 1.367 -0.735 242 HA ASN 32 HA ASN 32 20.918 2.422 -1.815 243 HB2 ASN 32 HB2 ASN 32 18.768 3.576 -0.047 244 HB3 ASN 32 HB1 ASN 32 20.193 4.503 -0.500 245 HD21 ASN 32 HD21 ASN 32 18.689 2.167 -2.617 246 HD22 ASN 32 HD22 ASN 32 18.075 3.309 -3.757 247 H LYS 33 HN LYS 33 20.177 0.835 1.069 248 HA LYS 33 HA LYS 33 22.302 2.085 2.617 249 HB2 LYS 33 HB2 LYS 33 20.141 1.484 3.684 250 HB3 LYS 33 HB1 LYS 33 20.469 -0.209 3.347 251 HG2 LYS 33 HG2 LYS 33 22.476 1.345 4.895 252 HG3 LYS 33 HG1 LYS 33 20.984 0.847 5.693 253 HD2 LYS 33 HD2 LYS 33 21.435 -1.480 5.080 254 HD3 LYS 33 HD1 LYS 33 22.926 -0.981 4.279 255 HE2 LYS 33 HE2 LYS 33 23.766 -0.127 6.429 256 HE3 LYS 33 HE1 LYS 33 22.291 -0.691 7.213 257 HZ1 LYS 33 HZ1 LYS 33 22.860 -2.951 6.575 258 HZ2 LYS 33 HZ2 LYS 33 24.099 -2.262 7.499 259 HZ3 LYS 33 HZ3 LYS 33 24.276 -2.409 5.824 260 H ARG 34 HN ARG 34 21.572 -0.951 0.990 261 HA ARG 34 HA ARG 34 24.035 -2.189 1.864 262 HB2 ARG 34 HB2 ARG 34 23.326 -4.098 0.531 263 HB3 ARG 34 HB1 ARG 34 22.001 -3.538 1.540 264 HG2 ARG 34 HG2 ARG 34 20.934 -2.489 -0.336 265 HG3 ARG 34 HG1 ARG 34 22.323 -2.832 -1.369 266 HD2 ARG 34 HD2 ARG 34 20.447 -4.832 -0.116 267 HD3 ARG 34 HD1 ARG 34 20.584 -4.432 -1.828 268 HE ARG 34 HE ARG 34 23.077 -5.320 -0.869 269 HH11 ARG 34 HH11 ARG 34 19.893 -6.518 -1.623 270 HH12 ARG 34 HH12 ARG 34 20.444 -8.115 -2.007 271 HH21 ARG 34 HH21 ARG 34 23.811 -7.421 -1.372 272 HH22 ARG 34 HH22 ARG 34 22.670 -8.627 -1.865 273 H LYS 35 HN LYS 35 24.151 0.303 0.309 274 HA LYS 35 HA LYS 35 24.909 -0.168 -2.350 275 HB2 LYS 35 HB2 LYS 35 26.125 2.044 -2.107 276 HB3 LYS 35 HB1 LYS 35 24.407 2.060 -1.741 277 HG2 LYS 35 HG2 LYS 35 24.995 1.875 0.677 278 HG3 LYS 35 HG1 LYS 35 26.688 2.074 0.221 279 HD2 LYS 35 HD2 LYS 35 26.082 4.234 -0.855 280 HD3 LYS 35 HD1 LYS 35 24.444 4.039 -0.227 281 HE2 LYS 35 HE2 LYS 35 25.721 5.495 1.228 282 HE3 LYS 35 HE1 LYS 35 25.344 3.986 2.059 283 HZ1 LYS 35 HZ1 LYS 35 27.939 4.649 0.773 284 HZ2 LYS 35 HZ2 LYS 35 27.579 3.203 1.573 285 HZ3 LYS 35 HZ3 LYS 35 27.631 4.656 2.437 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -25.843 -0.252 -5.908 2 H2 MET 1 HT2 MET 1 -24.974 0.855 -4.969 3 H3 MET 1 HT3 MET 1 -26.652 0.734 -4.796 4 HA MET 1 HA MET 1 -26.469 -1.474 -3.917 5 HB2 MET 1 HB2 MET 1 -24.252 -2.434 -3.454 6 HB3 MET 1 HB1 MET 1 -24.506 -2.183 -5.176 7 HG2 MET 1 HG2 MET 1 -23.135 -0.203 -5.133 8 HG3 MET 1 HG1 MET 1 -22.959 -0.326 -3.384 9 HE1 MET 1 HE1 MET 1 -22.910 -3.220 -6.047 10 HE2 MET 1 HE2 MET 1 -21.183 -3.361 -6.372 11 HE3 MET 1 HE3 MET 1 -22.055 -1.909 -6.860 12 H THR 2 HN THR 2 -24.897 -1.953 -1.767 13 HA THR 2 HA THR 2 -25.686 0.188 0.001 14 HB THR 2 HB THR 2 -24.115 -1.805 1.338 15 HG1 THR 2 HG1 THR 2 -25.570 -3.591 0.766 16 HG21 THR 2 HG21 THR 2 -26.212 -2.198 2.530 17 HG22 THR 2 HG22 THR 2 -27.088 -1.276 1.307 18 HG23 THR 2 HG23 THR 2 -25.909 -0.471 2.344 19 H PHE 3 HN PHE 3 -24.377 1.511 1.191 20 HA PHE 3 HA PHE 3 -21.861 2.202 0.129 21 HB2 PHE 3 HB2 PHE 3 -23.551 3.592 1.568 22 HB3 PHE 3 HB1 PHE 3 -22.654 2.927 2.930 23 HD1 PHE 3 HD1 PHE 3 -20.890 4.154 3.737 24 HD2 PHE 3 HD2 PHE 3 -22.005 4.566 -0.345 25 HE1 PHE 3 HE1 PHE 3 -19.174 5.894 3.451 26 HE2 PHE 3 HE2 PHE 3 -20.292 6.307 -0.644 27 HZ PHE 3 HZ PHE 3 -18.872 6.974 1.257 28 H ALA 4 HN ALA 4 -22.844 0.179 2.826 29 HA ALA 4 HA ALA 4 -20.251 -0.166 3.935 30 HB1 ALA 4 HB1 ALA 4 -21.253 -2.034 5.171 31 HB2 ALA 4 HB2 ALA 4 -22.701 -1.914 4.170 32 HB3 ALA 4 HB3 ALA 4 -22.259 -0.587 5.245 33 H GLU 5 HN GLU 5 -22.200 -2.006 1.623 34 HA GLU 5 HA GLU 5 -20.426 -4.172 1.318 35 HB2 GLU 5 HB2 GLU 5 -22.520 -3.014 -0.521 36 HB3 GLU 5 HB1 GLU 5 -21.613 -4.471 -0.904 37 HG2 GLU 5 HG2 GLU 5 -23.411 -4.081 1.478 38 HG3 GLU 5 HG1 GLU 5 -23.794 -5.001 0.023 39 H LEU 6 HN LEU 6 -20.467 -0.956 0.042 40 HA LEU 6 HA LEU 6 -18.370 -1.563 -1.902 41 HB2 LEU 6 HB2 LEU 6 -20.387 -0.065 -2.392 42 HB3 LEU 6 HB1 LEU 6 -19.614 1.124 -1.359 43 HG LEU 6 HG LEU 6 -17.923 0.049 -3.527 44 HD11 LEU 6 HD11 LEU 6 -20.266 1.857 -4.104 45 HD12 LEU 6 HD12 LEU 6 -20.052 0.209 -4.694 46 HD13 LEU 6 HD13 LEU 6 -18.953 1.484 -5.221 47 HD21 LEU 6 HD21 LEU 6 -17.408 2.498 -3.716 48 HD22 LEU 6 HD22 LEU 6 -17.050 1.782 -2.145 49 HD23 LEU 6 HD23 LEU 6 -18.499 2.764 -2.356 50 H GLY 7 HN GLY 7 -18.734 -0.537 1.292 51 HA2 GLY 7 HA2 GLY 7 -16.585 1.297 1.513 52 HA3 GLY 7 HA1 GLY 7 -17.311 0.398 2.835 53 H MET 8 HN MET 8 -16.764 -2.204 2.100 54 HA MET 8 HA MET 8 -14.053 -2.434 2.913 55 HB2 MET 8 HB2 MET 8 -15.981 -4.519 1.874 56 HB3 MET 8 HB1 MET 8 -14.413 -4.877 2.585 57 HG2 MET 8 HG2 MET 8 -16.639 -3.443 4.011 58 HG3 MET 8 HG1 MET 8 -16.321 -5.171 4.136 59 HE1 MET 8 HE1 MET 8 -16.541 -3.494 6.712 60 HE2 MET 8 HE2 MET 8 -15.107 -3.970 7.622 61 HE3 MET 8 HE3 MET 8 -16.036 -5.184 6.744 62 H ALA 9 HN ALA 9 -15.707 -3.035 -0.173 63 HA ALA 9 HA ALA 9 -13.454 -3.979 -1.570 64 HB1 ALA 9 HB1 ALA 9 -15.735 -4.305 -2.375 65 HB2 ALA 9 HB2 ALA 9 -14.737 -3.516 -3.597 66 HB3 ALA 9 HB3 ALA 9 -15.891 -2.571 -2.656 67 H PHE 10 HN PHE 10 -14.809 -0.728 -1.217 68 HA PHE 10 HA PHE 10 -12.951 0.538 -2.948 69 HB2 PHE 10 HB2 PHE 10 -14.977 1.687 -2.586 70 HB3 PHE 10 HB1 PHE 10 -14.852 1.537 -0.839 71 HD1 PHE 10 HD1 PHE 10 -12.531 2.845 -3.465 72 HD2 PHE 10 HD2 PHE 10 -14.698 3.592 0.121 73 HE1 PHE 10 HE1 PHE 10 -11.539 5.092 -3.339 74 HE2 PHE 10 HE2 PHE 10 -13.706 5.839 0.258 75 HZ PHE 10 HZ PHE 10 -12.125 6.593 -1.476 76 H TRP 11 HN TRP 11 -13.078 0.142 0.585 77 HA TRP 11 HA TRP 11 -10.782 1.676 1.141 78 HB2 TRP 11 HB2 TRP 11 -12.447 -0.264 2.625 79 HB3 TRP 11 HB1 TRP 11 -10.797 -0.066 3.206 80 HD1 TRP 11 HD1 TRP 11 -14.135 1.382 3.628 81 HE1 TRP 11 HE1 TRP 11 -14.005 3.671 4.799 82 HE3 TRP 11 HE3 TRP 11 -9.121 2.259 3.141 83 HZ2 TRP 11 HZ2 TRP 11 -12.037 5.593 5.433 84 HZ3 TRP 11 HZ3 TRP 11 -8.195 4.347 4.058 85 HH2 TRP 11 HH2 TRP 11 -9.625 5.979 5.179 86 H HIS 12 HN HIS 12 -11.214 -1.765 0.494 87 HA HIS 12 HA HIS 12 -8.515 -2.488 0.962 88 HB2 HIS 12 HB2 HIS 12 -10.757 -3.821 -0.553 89 HB3 HIS 12 HB1 HIS 12 -9.156 -4.542 -0.408 90 HD1 HIS 12 HD1 HIS 12 -10.707 -2.737 2.502 91 HD2 HIS 12 HD2 HIS 12 -10.070 -6.621 1.171 92 HE1 HIS 12 HE1 HIS 12 -11.244 -4.254 4.454 93 H ASP 13 HN ASP 13 -10.307 -1.535 -1.927 94 HA ASP 13 HA ASP 13 -8.243 -2.059 -3.779 95 HB2 ASP 13 HB2 ASP 13 -10.554 -1.799 -4.500 96 HB3 ASP 13 HB1 ASP 13 -10.561 -0.126 -3.952 97 H LEU 14 HN LEU 14 -9.151 0.873 -1.993 98 HA LEU 14 HA LEU 14 -7.148 2.482 -3.238 99 HB2 LEU 14 HB2 LEU 14 -7.835 4.229 -1.862 100 HB3 LEU 14 HB1 LEU 14 -9.290 3.311 -2.175 101 HG LEU 14 HG LEU 14 -8.641 2.171 0.132 102 HD11 LEU 14 HD11 LEU 14 -6.538 3.545 0.243 103 HD12 LEU 14 HD12 LEU 14 -7.584 3.649 1.660 104 HD13 LEU 14 HD13 LEU 14 -7.564 4.959 0.479 105 HD21 LEU 14 HD21 LEU 14 -10.139 3.754 1.226 106 HD22 LEU 14 HD22 LEU 14 -10.733 3.335 -0.380 107 HD23 LEU 14 HD23 LEU 14 -9.936 4.885 -0.111 108 H ALA 15 HN ALA 15 -7.287 0.490 -0.379 109 HA ALA 15 HA ALA 15 -4.938 1.512 0.848 110 HB1 ALA 15 HB1 ALA 15 -6.210 -1.192 1.236 111 HB2 ALA 15 HB2 ALA 15 -6.682 0.284 2.079 112 HB3 ALA 15 HB3 ALA 15 -5.071 -0.394 2.321 113 H ALA 16 HN ALA 16 -5.535 -1.049 -1.491 114 HA ALA 16 HA ALA 16 -3.217 -2.504 -1.358 115 HB1 ALA 16 HB1 ALA 16 -5.138 -2.987 -2.847 116 HB2 ALA 16 HB2 ALA 16 -3.571 -3.142 -3.641 117 HB3 ALA 16 HB3 ALA 16 -4.570 -1.720 -3.933 118 HA PRO 17 HA PRO 17 -0.848 0.583 -4.208 119 HB2 PRO 17 HB2 PRO 17 -1.918 3.042 -4.641 120 HB3 PRO 17 HB1 PRO 17 -2.277 1.648 -5.679 121 HG2 PRO 17 HG2 PRO 17 -3.906 2.827 -3.481 122 HG3 PRO 17 HG1 PRO 17 -4.416 2.226 -5.072 123 HD2 PRO 17 HD2 PRO 17 -4.691 0.775 -2.801 124 HD3 PRO 17 HD1 PRO 17 -4.435 0.041 -4.394 125 H VAL 18 HN VAL 18 -2.669 1.790 -1.473 126 HA VAL 18 HA VAL 18 -0.871 3.868 -0.732 127 HB VAL 18 HB VAL 18 -2.936 2.357 0.877 128 HG11 VAL 18 HG11 VAL 18 -1.230 3.213 2.384 129 HG12 VAL 18 HG12 VAL 18 -2.725 4.132 2.554 130 HG13 VAL 18 HG13 VAL 18 -1.368 4.814 1.657 131 HG21 VAL 18 HG21 VAL 18 -4.364 4.197 0.519 132 HG22 VAL 18 HG22 VAL 18 -3.641 3.855 -1.053 133 HG23 VAL 18 HG23 VAL 18 -3.048 5.203 -0.084 134 H ILE 19 HN ILE 19 -1.338 0.547 0.414 135 HA ILE 19 HA ILE 19 0.810 0.601 2.269 136 HB ILE 19 HB ILE 19 -0.486 -1.807 0.983 137 HG12 ILE 19 HG12 ILE 19 -1.194 -0.665 3.674 138 HG13 ILE 19 HG11 ILE 19 -1.974 -0.071 2.212 139 HG21 ILE 19 HG21 ILE 19 1.614 -2.328 2.090 140 HG22 ILE 19 HG22 ILE 19 0.257 -2.979 3.008 141 HG23 ILE 19 HG23 ILE 19 1.066 -1.509 3.553 142 HD11 ILE 19 HD11 ILE 19 -1.971 -2.933 3.138 143 HD12 ILE 19 HD12 ILE 19 -2.812 -2.286 1.729 144 HD13 ILE 19 HD13 ILE 19 -3.293 -1.785 3.350 145 H ALA 20 HN ALA 20 0.458 -0.522 -1.065 146 HA ALA 20 HA ALA 20 2.989 -1.720 -1.326 147 HB1 ALA 20 HB1 ALA 20 2.624 -1.584 -3.723 148 HB2 ALA 20 HB2 ALA 20 1.321 -0.421 -3.481 149 HB3 ALA 20 HB3 ALA 20 1.140 -2.080 -2.909 150 H GLY 21 HN GLY 21 1.881 1.601 -1.751 151 HA2 GLY 21 HA2 GLY 21 4.211 2.642 -2.942 152 HA3 GLY 21 HA1 GLY 21 3.038 3.569 -2.015 153 H ILE 22 HN ILE 22 3.255 2.348 0.454 154 HA ILE 22 HA ILE 22 5.552 3.612 1.523 155 HB ILE 22 HB ILE 22 3.767 1.560 2.845 156 HG12 ILE 22 HG12 ILE 22 3.575 4.571 3.007 157 HG13 ILE 22 HG11 ILE 22 2.619 3.608 1.886 158 HG21 ILE 22 HG21 ILE 22 4.520 2.636 4.939 159 HG22 ILE 22 HG22 ILE 22 5.649 3.613 4.001 160 HG23 ILE 22 HG23 ILE 22 5.835 1.860 4.056 161 HD11 ILE 22 HD11 ILE 22 1.568 2.455 3.740 162 HD12 ILE 22 HD12 ILE 22 1.373 4.201 3.901 163 HD13 ILE 22 HD13 ILE 22 2.567 3.352 4.883 164 H LEU 23 HN LEU 23 4.768 0.297 0.672 165 HA LEU 23 HA LEU 23 7.015 -0.943 1.846 166 HB2 LEU 23 HB2 LEU 23 5.127 -2.274 1.207 167 HB3 LEU 23 HB1 LEU 23 5.239 -1.738 -0.457 168 HG LEU 23 HG LEU 23 7.391 -2.950 -0.676 169 HD11 LEU 23 HD11 LEU 23 8.084 -2.918 1.656 170 HD12 LEU 23 HD12 LEU 23 8.025 -4.570 1.042 171 HD13 LEU 23 HD13 LEU 23 6.735 -3.970 2.085 172 HD21 LEU 23 HD21 LEU 23 5.319 -4.001 -1.385 173 HD22 LEU 23 HD22 LEU 23 5.050 -4.611 0.248 174 HD23 LEU 23 HD23 LEU 23 6.417 -5.199 -0.699 175 H ALA 24 HN ALA 24 6.477 0.639 -1.235 176 HA ALA 24 HA ALA 24 8.804 -0.236 -2.559 177 HB1 ALA 24 HB1 ALA 24 7.307 2.354 -2.945 178 HB2 ALA 24 HB2 ALA 24 6.899 0.815 -3.704 179 HB3 ALA 24 HB3 ALA 24 8.426 1.610 -4.087 180 H SER 25 HN SER 25 8.169 2.570 -0.494 181 HA SER 25 HA SER 25 10.687 3.797 -0.846 182 HB2 SER 25 HB2 SER 25 10.127 5.132 1.111 183 HB3 SER 25 HB1 SER 25 8.705 4.967 0.081 184 HG SER 25 HG SER 25 9.073 4.175 2.642 185 H MET 26 HN MET 26 9.528 1.310 1.346 186 HA MET 26 HA MET 26 11.777 1.330 3.073 187 HB2 MET 26 HB2 MET 26 9.762 -0.842 2.477 188 HB3 MET 26 HB1 MET 26 10.978 -0.948 3.742 189 HG2 MET 26 HG2 MET 26 9.986 1.191 4.672 190 HG3 MET 26 HG1 MET 26 8.644 0.927 3.561 191 HE1 MET 26 HE1 MET 26 8.415 -2.230 3.539 192 HE2 MET 26 HE2 MET 26 7.003 -1.183 3.692 193 HE3 MET 26 HE3 MET 26 7.238 -2.517 4.822 194 H ILE 27 HN ILE 27 10.979 -0.490 0.148 195 HA ILE 27 HA ILE 27 13.233 -2.195 0.207 196 HB ILE 27 HB ILE 27 11.595 -1.277 -2.164 197 HG12 ILE 27 HG12 ILE 27 11.461 -3.832 -0.543 198 HG13 ILE 27 HG11 ILE 27 10.331 -2.490 -0.402 199 HG21 ILE 27 HG21 ILE 27 13.758 -2.085 -2.895 200 HG22 ILE 27 HG22 ILE 27 12.512 -3.265 -3.298 201 HG23 ILE 27 HG23 ILE 27 13.573 -3.541 -1.917 202 HD11 ILE 27 HD11 ILE 27 9.384 -4.266 -1.736 203 HD12 ILE 27 HD12 ILE 27 10.761 -4.206 -2.836 204 HD13 ILE 27 HD13 ILE 27 9.655 -2.837 -2.733 205 H VAL 28 HN VAL 28 12.642 0.949 -1.323 206 HA VAL 28 HA VAL 28 15.118 1.125 -2.664 207 HB VAL 28 HB VAL 28 13.306 3.337 -1.681 208 HG11 VAL 28 HG11 VAL 28 14.477 4.734 -3.364 209 HG12 VAL 28 HG12 VAL 28 15.637 3.426 -3.593 210 HG13 VAL 28 HG13 VAL 28 15.515 4.233 -2.030 211 HG21 VAL 28 HG21 VAL 28 13.596 2.121 -4.427 212 HG22 VAL 28 HG22 VAL 28 12.474 3.397 -3.953 213 HG23 VAL 28 HG23 VAL 28 12.288 1.772 -3.296 214 H ASN 29 HN ASN 29 14.062 2.221 0.537 215 HA ASN 29 HA ASN 29 16.416 3.560 1.268 216 HB2 ASN 29 HB2 ASN 29 14.324 2.165 2.947 217 HB3 ASN 29 HB1 ASN 29 15.632 3.126 3.630 218 HD21 ASN 29 HD21 ASN 29 15.588 5.059 1.456 219 HD22 ASN 29 HD22 ASN 29 14.184 6.033 1.707 220 H TRP 30 HN TRP 30 15.512 0.180 1.370 221 HA TRP 30 HA TRP 30 17.691 -0.709 2.962 222 HB2 TRP 30 HB2 TRP 30 15.909 -2.208 2.916 223 HB3 TRP 30 HB1 TRP 30 15.673 -2.032 1.182 224 HD1 TRP 30 HD1 TRP 30 18.551 -3.405 3.424 225 HE1 TRP 30 HE1 TRP 30 19.395 -5.588 2.352 226 HE3 TRP 30 HE3 TRP 30 15.467 -3.551 -0.647 227 HZ2 TRP 30 HZ2 TRP 30 18.824 -7.164 0.078 228 HZ3 TRP 30 HZ3 TRP 30 15.678 -5.428 -2.222 229 HH2 TRP 30 HH2 TRP 30 17.322 -7.197 -1.866 230 H LEU 31 HN LEU 31 17.101 -0.750 -0.548 231 HA LEU 31 HA LEU 31 19.587 -1.861 -1.256 232 HB2 LEU 31 HB2 LEU 31 17.531 -0.266 -2.734 233 HB3 LEU 31 HB1 LEU 31 19.054 -0.676 -3.499 234 HG LEU 31 HG LEU 31 17.168 -2.725 -2.343 235 HD11 LEU 31 HD11 LEU 31 16.069 -1.553 -4.158 236 HD12 LEU 31 HD12 LEU 31 16.529 -3.179 -4.665 237 HD13 LEU 31 HD13 LEU 31 17.481 -1.789 -5.188 238 HD21 LEU 31 HD21 LEU 31 19.525 -2.968 -4.209 239 HD22 LEU 31 HD22 LEU 31 18.486 -4.290 -3.676 240 HD23 LEU 31 HD23 LEU 31 19.499 -3.439 -2.510 241 H ASN 32 HN ASN 32 18.610 1.389 -0.495 242 HA ASN 32 HA ASN 32 20.878 2.685 -1.650 243 HB2 ASN 32 HB2 ASN 32 18.710 3.545 0.242 244 HB3 ASN 32 HB1 ASN 32 20.077 4.599 -0.105 245 HD21 ASN 32 HD21 ASN 32 18.787 2.408 -2.483 246 HD22 ASN 32 HD22 ASN 32 18.085 3.613 -3.501 247 H LYS 33 HN LYS 33 20.441 0.893 1.219 248 HA LYS 33 HA LYS 33 22.732 2.213 2.496 249 HB2 LYS 33 HB2 LYS 33 22.027 1.369 4.553 250 HB3 LYS 33 HB1 LYS 33 20.520 1.757 3.740 251 HG2 LYS 33 HG2 LYS 33 19.887 -0.295 4.335 252 HG3 LYS 33 HG1 LYS 33 20.908 -0.845 3.005 253 HD2 LYS 33 HD2 LYS 33 22.795 -1.069 4.566 254 HD3 LYS 33 HD1 LYS 33 21.746 -0.558 5.890 255 HE2 LYS 33 HE2 LYS 33 20.289 -2.500 5.443 256 HE3 LYS 33 HE1 LYS 33 21.408 -3.023 4.185 257 HZ1 LYS 33 HZ1 LYS 33 21.842 -4.208 6.217 258 HZ2 LYS 33 HZ2 LYS 33 22.018 -2.765 7.080 259 HZ3 LYS 33 HZ3 LYS 33 23.146 -3.180 5.889 260 H ARG 34 HN ARG 34 21.813 -0.639 0.821 261 HA ARG 34 HA ARG 34 24.212 -2.058 1.730 262 HB2 ARG 34 HB2 ARG 34 23.261 -4.049 0.819 263 HB3 ARG 34 HB1 ARG 34 21.993 -3.235 1.723 264 HG2 ARG 34 HG2 ARG 34 20.854 -2.601 -0.203 265 HG3 ARG 34 HG1 ARG 34 22.268 -2.841 -1.233 266 HD2 ARG 34 HD2 ARG 34 20.623 -4.975 0.122 267 HD3 ARG 34 HD1 ARG 34 20.697 -4.632 -1.607 268 HE ARG 34 HE ARG 34 23.262 -5.243 -0.512 269 HH11 ARG 34 HH11 ARG 34 20.304 -6.663 -1.687 270 HH12 ARG 34 HH12 ARG 34 21.050 -8.163 -2.126 271 HH21 ARG 34 HH21 ARG 34 24.249 -7.212 -1.085 272 HH22 ARG 34 HH22 ARG 34 23.293 -8.476 -1.783 273 H LYS 35 HN LYS 35 23.798 0.236 -0.350 274 HA LYS 35 HA LYS 35 24.465 -0.687 -2.890 275 HB2 LYS 35 HB2 LYS 35 25.556 1.647 -3.106 276 HB3 LYS 35 HB1 LYS 35 23.827 1.549 -2.808 277 HG2 LYS 35 HG2 LYS 35 24.222 1.966 -0.425 278 HG3 LYS 35 HG1 LYS 35 25.952 2.093 -0.743 279 HD2 LYS 35 HD2 LYS 35 23.862 3.849 -2.023 280 HD3 LYS 35 HD1 LYS 35 24.770 4.287 -0.575 281 HE2 LYS 35 HE2 LYS 35 26.866 4.050 -1.857 282 HE3 LYS 35 HE1 LYS 35 25.919 3.694 -3.301 283 HZ1 LYS 35 HZ1 LYS 35 25.805 6.223 -1.746 284 HZ2 LYS 35 HZ2 LYS 35 24.917 5.884 -3.145 285 HZ3 LYS 35 HZ3 LYS 35 26.602 6.013 -3.224 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -27.122 -0.697 5.196 2 H2 MET 1 HT2 MET 1 -26.762 -1.974 4.146 3 H3 MET 1 HT3 MET 1 -27.840 -0.762 3.664 4 HA MET 1 HA MET 1 -26.082 0.876 3.714 5 HB2 MET 1 HB2 MET 1 -24.735 -0.198 5.468 6 HB3 MET 1 HB1 MET 1 -24.332 -1.505 4.364 7 HG2 MET 1 HG2 MET 1 -22.505 0.080 4.569 8 HG3 MET 1 HG1 MET 1 -23.142 0.046 2.926 9 HE1 MET 1 HE1 MET 1 -23.003 2.055 6.313 10 HE2 MET 1 HE2 MET 1 -24.726 1.760 6.080 11 HE3 MET 1 HE3 MET 1 -24.088 3.399 5.955 12 H THR 2 HN THR 2 -24.880 1.306 1.823 13 HA THR 2 HA THR 2 -25.584 -0.436 -0.393 14 HB THR 2 HB THR 2 -24.086 1.680 -1.418 15 HG1 THR 2 HG1 THR 2 -25.837 3.147 0.013 16 HG21 THR 2 HG21 THR 2 -26.152 0.757 -2.361 17 HG22 THR 2 HG22 THR 2 -26.247 2.511 -2.211 18 HG23 THR 2 HG23 THR 2 -27.078 1.480 -1.046 19 H PHE 3 HN PHE 3 -24.237 -1.733 -1.458 20 HA PHE 3 HA PHE 3 -21.682 -2.339 -0.444 21 HB2 PHE 3 HB2 PHE 3 -23.337 -3.763 -1.896 22 HB3 PHE 3 HB1 PHE 3 -22.468 -3.045 -3.249 23 HD1 PHE 3 HD1 PHE 3 -20.758 -4.298 -4.116 24 HD2 PHE 3 HD2 PHE 3 -21.657 -4.623 0.029 25 HE1 PHE 3 HE1 PHE 3 -18.985 -5.987 -3.869 26 HE2 PHE 3 HE2 PHE 3 -19.886 -6.313 0.285 27 HZ PHE 3 HZ PHE 3 -18.548 -6.997 -1.666 28 H ALA 4 HN ALA 4 -22.776 -0.257 -3.048 29 HA ALA 4 HA ALA 4 -20.224 0.173 -4.222 30 HB1 ALA 4 HB1 ALA 4 -22.685 1.916 -4.324 31 HB2 ALA 4 HB2 ALA 4 -22.300 0.604 -5.439 32 HB3 ALA 4 HB3 ALA 4 -21.279 2.041 -5.383 33 H GLU 5 HN GLU 5 -22.124 1.927 -1.800 34 HA GLU 5 HA GLU 5 -20.318 4.080 -1.501 35 HB2 GLU 5 HB2 GLU 5 -22.399 2.957 0.378 36 HB3 GLU 5 HB1 GLU 5 -21.497 4.433 0.692 37 HG2 GLU 5 HG2 GLU 5 -23.313 3.960 -1.661 38 HG3 GLU 5 HG1 GLU 5 -23.718 4.884 -0.215 39 H LEU 6 HN LEU 6 -20.468 0.870 -0.172 40 HA LEU 6 HA LEU 6 -18.359 1.418 1.763 41 HB2 LEU 6 HB2 LEU 6 -20.327 -0.079 2.265 42 HB3 LEU 6 HB1 LEU 6 -19.675 -1.217 1.101 43 HG LEU 6 HG LEU 6 -17.807 -0.389 3.232 44 HD11 LEU 6 HD11 LEU 6 -18.810 -1.893 4.881 45 HD12 LEU 6 HD12 LEU 6 -20.200 -2.128 3.821 46 HD13 LEU 6 HD13 LEU 6 -19.876 -0.537 4.510 47 HD21 LEU 6 HD21 LEU 6 -17.265 -2.771 3.170 48 HD22 LEU 6 HD22 LEU 6 -17.236 -2.072 1.552 49 HD23 LEU 6 HD23 LEU 6 -18.608 -3.054 2.063 50 H GLY 7 HN GLY 7 -18.690 0.480 -1.460 51 HA2 GLY 7 HA2 GLY 7 -16.529 -1.333 -1.718 52 HA3 GLY 7 HA1 GLY 7 -17.242 -0.392 -3.017 53 H MET 8 HN MET 8 -16.717 2.173 -2.296 54 HA MET 8 HA MET 8 -13.976 2.417 -2.999 55 HB2 MET 8 HB2 MET 8 -15.955 4.503 -2.061 56 HB3 MET 8 HB1 MET 8 -14.377 4.853 -2.755 57 HG2 MET 8 HG2 MET 8 -16.561 3.356 -4.179 58 HG3 MET 8 HG1 MET 8 -16.266 5.086 -4.344 59 HE1 MET 8 HE1 MET 8 -15.015 3.563 -7.756 60 HE2 MET 8 HE2 MET 8 -16.062 4.773 -7.015 61 HE3 MET 8 HE3 MET 8 -16.396 3.057 -6.782 62 H ALA 9 HN ALA 9 -15.772 2.952 0.008 63 HA ALA 9 HA ALA 9 -13.616 3.985 1.503 64 HB1 ALA 9 HB1 ALA 9 -16.030 2.483 2.511 65 HB2 ALA 9 HB2 ALA 9 -15.971 4.213 2.173 66 HB3 ALA 9 HB3 ALA 9 -14.976 3.531 3.460 67 H PHE 10 HN PHE 10 -14.878 0.690 1.148 68 HA PHE 10 HA PHE 10 -13.026 -0.499 2.940 69 HB2 PHE 10 HB2 PHE 10 -15.010 -1.712 2.569 70 HB3 PHE 10 HB1 PHE 10 -14.867 -1.584 0.822 71 HD1 PHE 10 HD1 PHE 10 -12.530 -2.780 3.484 72 HD2 PHE 10 HD2 PHE 10 -14.663 -3.657 -0.092 73 HE1 PHE 10 HE1 PHE 10 -11.471 -4.999 3.404 74 HE2 PHE 10 HE2 PHE 10 -13.605 -5.877 -0.184 75 HZ PHE 10 HZ PHE 10 -12.007 -6.552 1.568 76 H TRP 11 HN TRP 11 -13.087 -0.163 -0.603 77 HA TRP 11 HA TRP 11 -10.751 -1.660 -1.081 78 HB2 TRP 11 HB2 TRP 11 -12.414 0.226 -2.633 79 HB3 TRP 11 HB1 TRP 11 -10.747 0.050 -3.172 80 HD1 TRP 11 HD1 TRP 11 -14.049 -1.484 -3.627 81 HE1 TRP 11 HE1 TRP 11 -13.843 -3.787 -4.756 82 HE3 TRP 11 HE3 TRP 11 -9.023 -2.225 -3.047 83 HZ2 TRP 11 HZ2 TRP 11 -11.817 -5.669 -5.329 84 HZ3 TRP 11 HZ3 TRP 11 -8.029 -4.302 -3.917 85 HH2 TRP 11 HH2 TRP 11 -9.399 -5.989 -5.031 86 H HIS 12 HN HIS 12 -11.249 1.792 -0.503 87 HA HIS 12 HA HIS 12 -8.543 2.535 -0.911 88 HB2 HIS 12 HB2 HIS 12 -10.855 3.868 0.487 89 HB3 HIS 12 HB1 HIS 12 -9.252 4.596 0.443 90 HD1 HIS 12 HD1 HIS 12 -10.806 2.812 -2.512 91 HD2 HIS 12 HD2 HIS 12 -9.870 6.654 -1.238 92 HE1 HIS 12 HE1 HIS 12 -11.178 4.330 -4.501 93 H ASP 13 HN ASP 13 -10.402 1.619 1.946 94 HA ASP 13 HA ASP 13 -8.410 2.203 3.854 95 HB2 ASP 13 HB2 ASP 13 -10.779 1.869 4.444 96 HB3 ASP 13 HB1 ASP 13 -10.646 0.169 4.004 97 H LEU 14 HN LEU 14 -9.212 -0.771 2.087 98 HA LEU 14 HA LEU 14 -7.186 -2.313 3.384 99 HB2 LEU 14 HB2 LEU 14 -7.808 -4.095 2.019 100 HB3 LEU 14 HB1 LEU 14 -9.291 -3.210 2.283 101 HG LEU 14 HG LEU 14 -8.652 -2.090 -0.020 102 HD11 LEU 14 HD11 LEU 14 -6.484 -3.203 -0.196 103 HD12 LEU 14 HD12 LEU 14 -7.556 -3.670 -1.516 104 HD13 LEU 14 HD13 LEU 14 -7.285 -4.772 -0.165 105 HD21 LEU 14 HD21 LEU 14 -9.972 -3.850 -1.145 106 HD22 LEU 14 HD22 LEU 14 -10.690 -3.325 0.376 107 HD23 LEU 14 HD23 LEU 14 -9.815 -4.854 0.295 108 H ALA 15 HN ALA 15 -7.339 -0.303 0.561 109 HA ALA 15 HA ALA 15 -4.959 -1.244 -0.672 110 HB1 ALA 15 HB1 ALA 15 -5.125 0.694 -2.095 111 HB2 ALA 15 HB2 ALA 15 -6.285 1.443 -0.997 112 HB3 ALA 15 HB3 ALA 15 -6.724 -0.019 -1.881 113 H ALA 16 HN ALA 16 -5.637 1.233 1.728 114 HA ALA 16 HA ALA 16 -3.354 2.750 1.658 115 HB1 ALA 16 HB1 ALA 16 -3.715 3.198 4.046 116 HB2 ALA 16 HB2 ALA 16 -4.864 1.861 4.111 117 HB3 ALA 16 HB3 ALA 16 -5.212 3.273 3.115 118 HA PRO 17 HA PRO 17 -0.940 -0.339 4.465 119 HB2 PRO 17 HB2 PRO 17 -1.945 -2.833 4.832 120 HB3 PRO 17 HB1 PRO 17 -2.367 -1.473 5.891 121 HG2 PRO 17 HG2 PRO 17 -3.912 -2.640 3.626 122 HG3 PRO 17 HG1 PRO 17 -4.474 -2.117 5.227 123 HD2 PRO 17 HD2 PRO 17 -4.767 -0.589 3.015 124 HD3 PRO 17 HD1 PRO 17 -4.534 0.098 4.633 125 H VAL 18 HN VAL 18 -2.711 -1.555 1.696 126 HA VAL 18 HA VAL 18 -0.839 -3.546 0.913 127 HB VAL 18 HB VAL 18 -2.941 -2.062 -0.674 128 HG11 VAL 18 HG11 VAL 18 -1.191 -2.826 -2.184 129 HG12 VAL 18 HG12 VAL 18 -2.660 -3.778 -2.398 130 HG13 VAL 18 HG13 VAL 18 -1.296 -4.450 -1.504 131 HG21 VAL 18 HG21 VAL 18 -4.292 -3.995 -0.403 132 HG22 VAL 18 HG22 VAL 18 -3.654 -3.603 1.193 133 HG23 VAL 18 HG23 VAL 18 -2.949 -4.923 0.262 134 H ILE 19 HN ILE 19 -1.379 -0.195 -0.085 135 HA ILE 19 HA ILE 19 0.753 -0.110 -1.958 136 HB ILE 19 HB ILE 19 -0.618 2.183 -0.545 137 HG12 ILE 19 HG12 ILE 19 -1.228 1.197 -3.321 138 HG13 ILE 19 HG11 ILE 19 -2.020 0.487 -1.917 139 HG21 ILE 19 HG21 ILE 19 1.008 2.103 -3.083 140 HG22 ILE 19 HG22 ILE 19 1.481 2.853 -1.559 141 HG23 ILE 19 HG23 ILE 19 0.126 3.505 -2.481 142 HD11 ILE 19 HD11 ILE 19 -2.961 2.621 -1.322 143 HD12 ILE 19 HD12 ILE 19 -3.358 2.238 -2.998 144 HD13 ILE 19 HD13 ILE 19 -2.086 3.407 -2.637 145 H ALA 20 HN ALA 20 0.404 0.866 1.425 146 HA ALA 20 HA ALA 20 2.946 2.067 1.691 147 HB1 ALA 20 HB1 ALA 20 1.099 2.450 3.267 148 HB2 ALA 20 HB2 ALA 20 2.571 1.927 4.086 149 HB3 ALA 20 HB3 ALA 20 1.250 0.786 3.833 150 H GLY 21 HN GLY 21 1.807 -1.242 2.041 151 HA2 GLY 21 HA2 GLY 21 4.121 -2.315 3.257 152 HA3 GLY 21 HA1 GLY 21 2.932 -3.225 2.334 153 H ILE 22 HN ILE 22 3.158 -2.031 -0.141 154 HA ILE 22 HA ILE 22 5.448 -3.322 -1.198 155 HB ILE 22 HB ILE 22 3.565 -1.343 -2.493 156 HG12 ILE 22 HG12 ILE 22 3.653 -4.355 -2.744 157 HG13 ILE 22 HG11 ILE 22 2.588 -3.504 -1.631 158 HG21 ILE 22 HG21 ILE 22 4.407 -2.253 -4.627 159 HG22 ILE 22 HG22 ILE 22 5.620 -3.169 -3.733 160 HG23 ILE 22 HG23 ILE 22 5.653 -1.406 -3.710 161 HD11 ILE 22 HD11 ILE 22 2.581 -3.124 -4.615 162 HD12 ILE 22 HD12 ILE 22 1.434 -2.458 -3.452 163 HD13 ILE 22 HD13 ILE 22 1.495 -4.197 -3.734 164 H LEU 23 HN LEU 23 4.674 0.012 -0.404 165 HA LEU 23 HA LEU 23 6.901 1.228 -1.636 166 HB2 LEU 23 HB2 LEU 23 5.001 2.549 -0.978 167 HB3 LEU 23 HB1 LEU 23 5.191 2.076 0.699 168 HG LEU 23 HG LEU 23 7.310 3.326 0.808 169 HD11 LEU 23 HD11 LEU 23 6.621 4.169 -2.004 170 HD12 LEU 23 HD12 LEU 23 7.979 3.150 -1.524 171 HD13 LEU 23 HD13 LEU 23 7.921 4.838 -1.017 172 HD21 LEU 23 HD21 LEU 23 4.958 4.927 -0.193 173 HD22 LEU 23 HD22 LEU 23 6.331 5.571 0.708 174 HD23 LEU 23 HD23 LEU 23 5.239 4.414 1.471 175 H ALA 24 HN ALA 24 6.410 -0.230 1.521 176 HA ALA 24 HA ALA 24 8.798 0.656 2.730 177 HB1 ALA 24 HB1 ALA 24 6.933 -0.250 4.016 178 HB2 ALA 24 HB2 ALA 24 8.419 -1.140 4.349 179 HB3 ALA 24 HB3 ALA 24 7.191 -1.836 3.290 180 H SER 25 HN SER 25 8.027 -2.170 0.763 181 HA SER 25 HA SER 25 10.474 -3.530 1.123 182 HB2 SER 25 HB2 SER 25 8.541 -3.635 -1.206 183 HB3 SER 25 HB1 SER 25 9.831 -4.798 -0.898 184 HG SER 25 HG SER 25 7.684 -5.390 -0.115 185 H MET 26 HN MET 26 9.415 -1.108 -1.221 186 HA MET 26 HA MET 26 11.699 -1.267 -2.885 187 HB2 MET 26 HB2 MET 26 9.781 1.031 -2.445 188 HB3 MET 26 HB1 MET 26 10.961 0.937 -3.745 189 HG2 MET 26 HG2 MET 26 9.820 -1.187 -4.470 190 HG3 MET 26 HG1 MET 26 8.546 -0.794 -3.317 191 HE1 MET 26 HE1 MET 26 6.997 1.398 -3.513 192 HE2 MET 26 HE2 MET 26 7.236 2.630 -4.753 193 HE3 MET 26 HE3 MET 26 8.467 2.373 -3.516 194 H ILE 27 HN ILE 27 10.942 0.603 -0.005 195 HA ILE 27 HA ILE 27 13.191 2.324 -0.134 196 HB ILE 27 HB ILE 27 11.474 1.486 2.204 197 HG12 ILE 27 HG12 ILE 27 11.585 4.079 0.647 198 HG13 ILE 27 HG11 ILE 27 10.393 2.811 0.386 199 HG21 ILE 27 HG21 ILE 27 12.472 3.412 3.396 200 HG22 ILE 27 HG22 ILE 27 13.630 3.590 2.078 201 HG23 ILE 27 HG23 ILE 27 13.633 2.128 3.063 202 HD11 ILE 27 HD11 ILE 27 9.478 4.608 1.725 203 HD12 ILE 27 HD12 ILE 27 10.763 4.399 2.915 204 HD13 ILE 27 HD13 ILE 27 9.575 3.120 2.667 205 H VAL 28 HN VAL 28 12.587 -0.739 1.558 206 HA VAL 28 HA VAL 28 15.093 -0.872 2.854 207 HB VAL 28 HB VAL 28 13.219 -3.112 2.071 208 HG11 VAL 28 HG11 VAL 28 15.552 -3.112 3.986 209 HG12 VAL 28 HG12 VAL 28 15.454 -3.978 2.453 210 HG13 VAL 28 HG13 VAL 28 14.393 -4.427 3.788 211 HG21 VAL 28 HG21 VAL 28 12.207 -1.469 3.566 212 HG22 VAL 28 HG22 VAL 28 13.564 -1.634 4.680 213 HG23 VAL 28 HG23 VAL 28 12.481 -2.998 4.401 214 H ASN 29 HN ASN 29 13.923 -2.288 -0.186 215 HA ASN 29 HA ASN 29 16.216 -3.712 -0.876 216 HB2 ASN 29 HB2 ASN 29 14.110 -2.407 -2.603 217 HB3 ASN 29 HB1 ASN 29 15.372 -3.453 -3.246 218 HD21 ASN 29 HD21 ASN 29 13.803 -4.908 -3.984 219 HD22 ASN 29 HD22 ASN 29 12.986 -5.980 -2.903 220 H TRP 30 HN TRP 30 15.385 -0.330 -1.371 221 HA TRP 30 HA TRP 30 17.588 0.307 -3.035 222 HB2 TRP 30 HB2 TRP 30 15.887 1.880 -3.160 223 HB3 TRP 30 HB1 TRP 30 15.616 1.879 -1.422 224 HD1 TRP 30 HD1 TRP 30 18.545 2.954 -3.758 225 HE1 TRP 30 HE1 TRP 30 19.464 5.189 -2.872 226 HE3 TRP 30 HE3 TRP 30 15.493 3.529 0.298 227 HZ2 TRP 30 HZ2 TRP 30 18.959 6.962 -0.731 228 HZ3 TRP 30 HZ3 TRP 30 15.775 5.518 1.718 229 HH2 TRP 30 HH2 TRP 30 17.473 7.199 1.212 230 H LEU 31 HN LEU 31 17.029 0.638 0.454 231 HA LEU 31 HA LEU 31 19.509 1.805 1.072 232 HB2 LEU 31 HB2 LEU 31 17.401 0.378 2.613 233 HB3 LEU 31 HB1 LEU 31 18.960 0.626 3.376 234 HG LEU 31 HG LEU 31 17.381 2.893 2.182 235 HD11 LEU 31 HD11 LEU 31 15.979 1.875 3.860 236 HD12 LEU 31 HD12 LEU 31 16.646 3.384 4.484 237 HD13 LEU 31 HD13 LEU 31 17.321 1.840 5.003 238 HD21 LEU 31 HD21 LEU 31 18.777 4.240 3.677 239 HD22 LEU 31 HD22 LEU 31 19.753 3.306 2.543 240 HD23 LEU 31 HD23 LEU 31 19.602 2.778 4.219 241 H ASN 32 HN ASN 32 18.546 -1.506 0.549 242 HA ASN 32 HA ASN 32 20.836 -2.713 1.736 243 HB2 ASN 32 HB2 ASN 32 18.861 -3.763 -0.300 244 HB3 ASN 32 HB1 ASN 32 20.113 -4.741 0.460 245 HD21 ASN 32 HD21 ASN 32 17.219 -5.019 0.557 246 HD22 ASN 32 HD22 ASN 32 16.787 -4.959 2.228 247 H LYS 33 HN LYS 33 20.334 -1.023 -1.160 248 HA LYS 33 HA LYS 33 22.497 -2.325 -2.598 249 HB2 LYS 33 HB2 LYS 33 20.471 -1.582 -3.801 250 HB3 LYS 33 HB1 LYS 33 20.819 0.079 -3.344 251 HG2 LYS 33 HG2 LYS 33 22.915 -1.428 -4.809 252 HG3 LYS 33 HG1 LYS 33 21.491 -0.892 -5.702 253 HD2 LYS 33 HD2 LYS 33 21.899 1.411 -4.855 254 HD3 LYS 33 HD1 LYS 33 23.393 0.832 -4.115 255 HE2 LYS 33 HE2 LYS 33 24.215 0.163 -6.329 256 HE3 LYS 33 HE1 LYS 33 22.728 0.771 -7.057 257 HZ1 LYS 33 HZ1 LYS 33 24.733 2.389 -5.578 258 HZ2 LYS 33 HZ2 LYS 33 23.290 2.983 -6.230 259 HZ3 LYS 33 HZ3 LYS 33 24.496 2.385 -7.254 260 H ARG 34 HN ARG 34 21.811 0.789 -1.056 261 HA ARG 34 HA ARG 34 24.464 1.787 -1.651 262 HB2 ARG 34 HB2 ARG 34 23.733 3.789 -0.388 263 HB3 ARG 34 HB1 ARG 34 22.632 3.367 -1.691 264 HG2 ARG 34 HG2 ARG 34 21.053 2.445 -0.153 265 HG3 ARG 34 HG1 ARG 34 22.190 2.608 1.187 266 HD2 ARG 34 HD2 ARG 34 21.015 4.883 -0.408 267 HD3 ARG 34 HD1 ARG 34 20.488 4.379 1.197 268 HE ARG 34 HE ARG 34 23.240 4.914 1.272 269 HH11 ARG 34 HH11 ARG 34 20.201 6.583 0.915 270 HH12 ARG 34 HH12 ARG 34 20.791 8.066 1.586 271 HH21 ARG 34 HH21 ARG 34 24.023 6.862 2.159 272 HH22 ARG 34 HH22 ARG 34 22.962 8.224 2.293 273 H LYS 35 HN LYS 35 24.277 -0.619 -0.058 274 HA LYS 35 HA LYS 35 24.640 -0.155 2.680 275 HB2 LYS 35 HB2 LYS 35 25.845 -2.388 2.620 276 HB3 LYS 35 HB1 LYS 35 24.202 -2.377 1.995 277 HG2 LYS 35 HG2 LYS 35 25.179 -2.171 -0.306 278 HG3 LYS 35 HG1 LYS 35 26.763 -2.451 0.421 279 HD2 LYS 35 HD2 LYS 35 25.897 -4.591 1.344 280 HD3 LYS 35 HD1 LYS 35 24.391 -4.314 0.464 281 HE2 LYS 35 HE2 LYS 35 25.830 -5.815 -0.785 282 HE3 LYS 35 HE1 LYS 35 25.642 -4.289 -1.647 283 HZ1 LYS 35 HZ1 LYS 35 27.979 -5.071 0.012 284 HZ2 LYS 35 HZ2 LYS 35 27.800 -3.593 -0.791 285 HZ3 LYS 35 HZ3 LYS 35 27.932 -5.026 -1.679 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 27.746 -0.630 -4.164 2 H2 MET 1 HT2 MET 1 27.581 -1.571 -2.769 3 H3 MET 1 HT3 MET 1 28.236 -0.015 -2.666 4 HA MET 1 HA MET 1 26.145 0.957 -3.334 5 HB2 MET 1 HB2 MET 1 25.310 -0.831 -4.726 6 HB3 MET 1 HB1 MET 1 25.236 -1.925 -3.352 7 HG2 MET 1 HG2 MET 1 23.037 -1.049 -4.043 8 HG3 MET 1 HG1 MET 1 23.450 -0.676 -2.371 9 HE1 MET 1 HE1 MET 1 23.219 0.731 -6.036 10 HE2 MET 1 HE2 MET 1 24.884 1.101 -5.586 11 HE3 MET 1 HE3 MET 1 23.717 2.406 -5.802 12 H THR 2 HN THR 2 24.740 1.659 -1.756 13 HA THR 2 HA THR 2 25.402 0.756 0.942 14 HB THR 2 HB THR 2 23.752 2.879 1.329 15 HG1 THR 2 HG1 THR 2 25.184 4.048 -0.664 16 HG21 THR 2 HG21 THR 2 25.981 2.599 2.295 17 HG22 THR 2 HG22 THR 2 25.797 4.216 1.614 18 HG23 THR 2 HG23 THR 2 26.716 2.990 0.740 19 H PHE 3 HN PHE 3 24.100 -0.558 2.019 20 HA PHE 3 HA PHE 3 21.638 -1.475 1.026 21 HB2 PHE 3 HB2 PHE 3 23.309 -2.454 2.846 22 HB3 PHE 3 HB1 PHE 3 22.197 -1.650 3.951 23 HD1 PHE 3 HD1 PHE 3 20.370 -2.832 4.712 24 HD2 PHE 3 HD2 PHE 3 22.147 -3.920 1.002 25 HE1 PHE 3 HE1 PHE 3 18.828 -4.743 4.536 26 HE2 PHE 3 HE2 PHE 3 20.611 -5.828 0.819 27 HZ PHE 3 HZ PHE 3 18.947 -6.244 2.586 28 H ALA 4 HN ALA 4 22.470 1.115 3.225 29 HA ALA 4 HA ALA 4 19.845 1.582 4.209 30 HB1 ALA 4 HB1 ALA 4 21.819 2.365 5.405 31 HB2 ALA 4 HB2 ALA 4 20.744 3.710 5.022 32 HB3 ALA 4 HB3 ALA 4 22.208 3.453 4.072 33 H GLU 5 HN GLU 5 21.744 2.977 1.556 34 HA GLU 5 HA GLU 5 19.810 4.913 0.817 35 HB2 GLU 5 HB2 GLU 5 22.095 3.667 -0.718 36 HB3 GLU 5 HB1 GLU 5 21.086 4.954 -1.365 37 HG2 GLU 5 HG2 GLU 5 22.775 5.128 1.120 38 HG3 GLU 5 HG1 GLU 5 23.175 5.811 -0.455 39 H LEU 6 HN LEU 6 20.241 1.541 0.089 40 HA LEU 6 HA LEU 6 18.191 1.611 -1.986 41 HB2 LEU 6 HB2 LEU 6 20.344 0.213 -2.103 42 HB3 LEU 6 HB1 LEU 6 19.577 -0.839 -0.928 43 HG LEU 6 HG LEU 6 17.980 -0.257 -3.345 44 HD11 LEU 6 HD11 LEU 6 20.452 -1.979 -3.448 45 HD12 LEU 6 HD12 LEU 6 20.180 -0.485 -4.345 46 HD13 LEU 6 HD13 LEU 6 19.198 -1.909 -4.686 47 HD21 LEU 6 HD21 LEU 6 17.554 -2.698 -3.132 48 HD22 LEU 6 HD22 LEU 6 17.131 -1.777 -1.691 49 HD23 LEU 6 HD23 LEU 6 18.620 -2.719 -1.728 50 H GLY 7 HN GLY 7 18.460 1.213 1.349 51 HA2 GLY 7 HA2 GLY 7 16.431 -0.721 1.808 52 HA3 GLY 7 HA1 GLY 7 17.036 0.436 2.981 53 H MET 8 HN MET 8 16.356 2.835 1.811 54 HA MET 8 HA MET 8 13.594 2.984 2.471 55 HB2 MET 8 HB2 MET 8 15.401 5.046 1.197 56 HB3 MET 8 HB1 MET 8 13.800 5.367 1.848 57 HG2 MET 8 HG2 MET 8 16.171 4.386 3.420 58 HG3 MET 8 HG1 MET 8 15.564 6.040 3.390 59 HE1 MET 8 HE1 MET 8 15.622 5.802 6.096 60 HE2 MET 8 HE2 MET 8 16.043 4.091 6.010 61 HE3 MET 8 HE3 MET 8 14.668 4.614 6.983 62 H ALA 9 HN ALA 9 15.372 3.218 -0.593 63 HA ALA 9 HA ALA 9 13.151 3.805 -2.219 64 HB1 ALA 9 HB1 ALA 9 14.560 3.093 -4.088 65 HB2 ALA 9 HB2 ALA 9 15.712 2.389 -2.953 66 HB3 ALA 9 HB3 ALA 9 15.445 4.132 -2.972 67 H PHE 10 HN PHE 10 14.647 0.731 -1.301 68 HA PHE 10 HA PHE 10 12.941 -0.891 -2.885 69 HB2 PHE 10 HB2 PHE 10 15.018 -1.832 -2.263 70 HB3 PHE 10 HB1 PHE 10 14.778 -1.446 -0.565 71 HD1 PHE 10 HD1 PHE 10 14.731 -3.369 0.648 72 HD2 PHE 10 HD2 PHE 10 12.658 -3.249 -3.068 73 HE1 PHE 10 HE1 PHE 10 13.871 -5.637 1.060 74 HE2 PHE 10 HE2 PHE 10 11.796 -5.518 -2.665 75 HZ PHE 10 HZ PHE 10 12.401 -6.716 -0.598 76 H TRP 11 HN TRP 11 12.905 -0.006 0.565 77 HA TRP 11 HA TRP 11 10.656 -1.553 1.243 78 HB2 TRP 11 HB2 TRP 11 12.165 0.655 2.499 79 HB3 TRP 11 HB1 TRP 11 10.504 0.455 3.045 80 HD1 TRP 11 HD1 TRP 11 13.879 -0.741 3.793 81 HE1 TRP 11 HE1 TRP 11 13.809 -2.858 5.254 82 HE3 TRP 11 HE3 TRP 11 8.946 -1.961 3.222 83 HZ2 TRP 11 HZ2 TRP 11 11.918 -4.790 6.057 84 HZ3 TRP 11 HZ3 TRP 11 8.087 -3.961 4.371 85 HH2 TRP 11 HH2 TRP 11 9.544 -5.347 5.757 86 H HIS 12 HN HIS 12 10.939 1.802 0.159 87 HA HIS 12 HA HIS 12 8.182 2.403 0.414 88 HB2 HIS 12 HB2 HIS 12 10.404 3.685 -1.174 89 HB3 HIS 12 HB1 HIS 12 8.759 4.314 -1.161 90 HD1 HIS 12 HD1 HIS 12 10.373 2.972 1.969 91 HD2 HIS 12 HD2 HIS 12 9.422 6.613 0.209 92 HE1 HIS 12 HE1 HIS 12 10.728 4.735 3.748 93 H ASP 13 HN ASP 13 10.163 1.201 -2.252 94 HA ASP 13 HA ASP 13 8.171 1.371 -4.245 95 HB2 ASP 13 HB2 ASP 13 10.548 1.138 -4.795 96 HB3 ASP 13 HB1 ASP 13 10.563 -0.472 -4.080 97 H LEU 14 HN LEU 14 9.137 -1.258 -2.063 98 HA LEU 14 HA LEU 14 7.270 -3.121 -3.159 99 HB2 LEU 14 HB2 LEU 14 7.971 -4.628 -1.524 100 HB3 LEU 14 HB1 LEU 14 9.396 -3.683 -1.892 101 HG LEU 14 HG LEU 14 8.584 -2.277 0.199 102 HD11 LEU 14 HD11 LEU 14 7.465 -3.530 1.853 103 HD12 LEU 14 HD12 LEU 14 7.612 -5.024 0.928 104 HD13 LEU 14 HD13 LEU 14 6.529 -3.749 0.374 105 HD21 LEU 14 HD21 LEU 14 10.063 -3.650 1.582 106 HD22 LEU 14 HD22 LEU 14 10.739 -3.394 -0.025 107 HD23 LEU 14 HD23 LEU 14 9.991 -4.938 0.381 108 H ALA 15 HN ALA 15 7.186 -0.726 -0.648 109 HA ALA 15 HA ALA 15 4.847 -1.665 0.662 110 HB1 ALA 15 HB1 ALA 15 5.971 1.131 0.637 111 HB2 ALA 15 HB2 ALA 15 6.493 -0.162 1.717 112 HB3 ALA 15 HB3 ALA 15 4.842 0.453 1.811 113 H ALA 16 HN ALA 16 5.416 0.511 -2.042 114 HA ALA 16 HA ALA 16 3.029 1.847 -2.219 115 HB1 ALA 16 HB1 ALA 16 4.976 2.205 -3.695 116 HB2 ALA 16 HB2 ALA 16 3.447 2.117 -4.572 117 HB3 ALA 16 HB3 ALA 16 4.547 0.739 -4.575 118 HA PRO 17 HA PRO 17 0.929 -1.765 -4.629 119 HB2 PRO 17 HB2 PRO 17 2.122 -4.201 -4.637 120 HB3 PRO 17 HB1 PRO 17 2.485 -2.964 -5.856 121 HG2 PRO 17 HG2 PRO 17 4.027 -3.707 -3.414 122 HG3 PRO 17 HG1 PRO 17 4.607 -3.359 -5.057 123 HD2 PRO 17 HD2 PRO 17 4.712 -1.535 -3.064 124 HD3 PRO 17 HD1 PRO 17 4.493 -1.088 -4.766 125 H VAL 18 HN VAL 18 2.709 -2.496 -1.696 126 HA VAL 18 HA VAL 18 0.973 -4.502 -0.692 127 HB VAL 18 HB VAL 18 2.915 -2.660 0.709 128 HG11 VAL 18 HG11 VAL 18 1.211 -3.305 2.304 129 HG12 VAL 18 HG12 VAL 18 2.715 -4.158 2.650 130 HG13 VAL 18 HG13 VAL 18 1.389 -5.000 1.847 131 HG21 VAL 18 HG21 VAL 18 4.420 -4.471 0.699 132 HG22 VAL 18 HG22 VAL 18 3.733 -4.431 -0.925 133 HG23 VAL 18 HG23 VAL 18 3.162 -5.620 0.245 134 H ILE 19 HN ILE 19 1.230 -1.025 -0.063 135 HA ILE 19 HA ILE 19 -0.972 -0.904 1.723 136 HB ILE 19 HB ILE 19 0.241 1.341 0.106 137 HG12 ILE 19 HG12 ILE 19 0.940 0.663 2.952 138 HG13 ILE 19 HG11 ILE 19 1.783 -0.107 1.611 139 HG21 ILE 19 HG21 ILE 19 -0.608 2.770 1.911 140 HG22 ILE 19 HG22 ILE 19 -1.356 1.362 2.666 141 HG23 ILE 19 HG23 ILE 19 -1.909 1.914 1.084 142 HD11 ILE 19 HD11 ILE 19 2.985 1.830 2.498 143 HD12 ILE 19 HD12 ILE 19 1.616 2.860 2.077 144 HD13 ILE 19 HD13 ILE 19 2.530 2.042 0.808 145 H ALA 20 HN ALA 20 -0.590 -0.425 -1.743 146 HA ALA 20 HA ALA 20 -3.140 0.678 -2.249 147 HB1 ALA 20 HB1 ALA 20 -1.258 0.821 -3.822 148 HB2 ALA 20 HB2 ALA 20 -2.708 0.159 -4.578 149 HB3 ALA 20 HB3 ALA 20 -1.386 -0.914 -4.115 150 H GLY 21 HN GLY 21 -1.974 -2.644 -2.059 151 HA2 GLY 21 HA2 GLY 21 -4.311 -3.852 -3.139 152 HA3 GLY 21 HA1 GLY 21 -3.083 -4.660 -2.176 153 H ILE 22 HN ILE 22 -3.234 -3.293 0.203 154 HA ILE 22 HA ILE 22 -5.526 -4.470 1.397 155 HB ILE 22 HB ILE 22 -3.652 -2.420 2.589 156 HG12 ILE 22 HG12 ILE 22 -3.537 -5.431 2.845 157 HG13 ILE 22 HG11 ILE 22 -2.570 -4.522 1.689 158 HG21 ILE 22 HG21 ILE 22 -5.521 -4.397 3.892 159 HG22 ILE 22 HG22 ILE 22 -5.731 -2.647 3.833 160 HG23 ILE 22 HG23 ILE 22 -4.387 -3.344 4.739 161 HD11 ILE 22 HD11 ILE 22 -1.488 -3.335 3.514 162 HD12 ILE 22 HD12 ILE 22 -1.299 -5.080 3.684 163 HD13 ILE 22 HD13 ILE 22 -2.472 -4.218 4.681 164 H LEU 23 HN LEU 23 -4.686 -1.218 0.387 165 HA LEU 23 HA LEU 23 -6.833 0.142 1.608 166 HB2 LEU 23 HB2 LEU 23 -4.879 1.322 0.806 167 HB3 LEU 23 HB1 LEU 23 -5.194 0.802 -0.838 168 HG LEU 23 HG LEU 23 -7.294 2.135 -0.812 169 HD11 LEU 23 HD11 LEU 23 -7.609 3.799 0.945 170 HD12 LEU 23 HD12 LEU 23 -6.222 3.149 1.818 171 HD13 LEU 23 HD13 LEU 23 -7.668 2.163 1.600 172 HD21 LEU 23 HD21 LEU 23 -4.745 3.635 -0.226 173 HD22 LEU 23 HD22 LEU 23 -6.181 4.315 -0.993 174 HD23 LEU 23 HD23 LEU 23 -5.271 3.037 -1.800 175 H ALA 24 HN ALA 24 -6.482 -1.511 -1.475 176 HA ALA 24 HA ALA 24 -8.815 -0.609 -2.734 177 HB1 ALA 24 HB1 ALA 24 -7.473 -3.297 -3.008 178 HB2 ALA 24 HB2 ALA 24 -7.043 -1.836 -3.897 179 HB3 ALA 24 HB3 ALA 24 -8.619 -2.587 -4.145 180 H SER 25 HN SER 25 -8.272 -3.344 -0.552 181 HA SER 25 HA SER 25 -10.865 -4.426 -0.704 182 HB2 SER 25 HB2 SER 25 -8.866 -4.546 1.570 183 HB3 SER 25 HB1 SER 25 -10.294 -5.569 1.417 184 HG SER 25 HG SER 25 -8.253 -6.473 0.627 185 H MET 26 HN MET 26 -9.480 -1.834 1.193 186 HA MET 26 HA MET 26 -11.633 -1.554 3.023 187 HB2 MET 26 HB2 MET 26 -9.560 0.462 2.134 188 HB3 MET 26 HB1 MET 26 -10.630 0.652 3.516 189 HG2 MET 26 HG2 MET 26 -9.610 -1.241 4.612 190 HG3 MET 26 HG1 MET 26 -8.597 -1.544 3.204 191 HE1 MET 26 HE1 MET 26 -9.400 0.979 6.122 192 HE2 MET 26 HE2 MET 26 -9.532 1.979 4.675 193 HE3 MET 26 HE3 MET 26 -8.213 2.246 5.814 194 H ILE 27 HN ILE 27 -10.808 0.034 -0.034 195 HA ILE 27 HA ILE 27 -12.917 1.891 -0.053 196 HB ILE 27 HB ILE 27 -11.564 0.618 -2.438 197 HG12 ILE 27 HG12 ILE 27 -10.920 3.209 -1.013 198 HG13 ILE 27 HG11 ILE 27 -10.008 1.716 -0.827 199 HG21 ILE 27 HG21 ILE 27 -13.012 3.256 -2.249 200 HG22 ILE 27 HG22 ILE 27 -13.714 1.780 -2.910 201 HG23 ILE 27 HG23 ILE 27 -12.318 2.521 -3.694 202 HD11 ILE 27 HD11 ILE 27 -9.462 1.781 -3.221 203 HD12 ILE 27 HD12 ILE 27 -8.880 3.200 -2.352 204 HD13 ILE 27 HD13 ILE 27 -10.325 3.313 -3.356 205 H VAL 28 HN VAL 28 -12.685 -1.425 -1.284 206 HA VAL 28 HA VAL 28 -15.232 -1.465 -2.517 207 HB VAL 28 HB VAL 28 -13.592 -3.768 -1.443 208 HG11 VAL 28 HG11 VAL 28 -15.878 -4.474 -1.642 209 HG12 VAL 28 HG12 VAL 28 -14.969 -5.142 -2.997 210 HG13 VAL 28 HG13 VAL 28 -16.013 -3.742 -3.240 211 HG21 VAL 28 HG21 VAL 28 -13.868 -2.677 -4.243 212 HG22 VAL 28 HG22 VAL 28 -12.912 -4.080 -3.764 213 HG23 VAL 28 HG23 VAL 28 -12.467 -2.472 -3.192 214 H ASN 29 HN ASN 29 -14.121 -2.592 0.669 215 HA ASN 29 HA ASN 29 -16.557 -3.584 1.598 216 HB2 ASN 29 HB2 ASN 29 -14.160 -2.442 3.018 217 HB3 ASN 29 HB1 ASN 29 -15.564 -3.025 3.906 218 HD21 ASN 29 HD21 ASN 29 -14.454 -4.443 0.913 219 HD22 ASN 29 HD22 ASN 29 -13.911 -5.933 1.596 220 H TRP 30 HN TRP 30 -15.263 -0.314 1.599 221 HA TRP 30 HA TRP 30 -17.291 0.822 3.235 222 HB2 TRP 30 HB2 TRP 30 -15.346 2.109 3.131 223 HB3 TRP 30 HB1 TRP 30 -15.200 1.926 1.387 224 HD1 TRP 30 HD1 TRP 30 -17.849 3.550 3.740 225 HE1 TRP 30 HE1 TRP 30 -18.510 5.819 2.719 226 HE3 TRP 30 HE3 TRP 30 -14.901 3.448 -0.433 227 HZ2 TRP 30 HZ2 TRP 30 -17.868 7.358 0.440 228 HZ3 TRP 30 HZ3 TRP 30 -14.984 5.354 -1.985 229 HH2 TRP 30 HH2 TRP 30 -16.439 7.270 -1.556 230 H LEU 31 HN LEU 31 -16.778 0.745 -0.277 231 HA LEU 31 HA LEU 31 -19.098 2.168 -0.963 232 HB2 LEU 31 HB2 LEU 31 -17.207 0.385 -2.402 233 HB3 LEU 31 HB1 LEU 31 -18.745 0.737 -3.170 234 HG LEU 31 HG LEU 31 -16.878 2.891 -2.195 235 HD11 LEU 31 HD11 LEU 31 -16.174 3.133 -4.527 236 HD12 LEU 31 HD12 LEU 31 -17.096 1.691 -4.950 237 HD13 LEU 31 HD13 LEU 31 -15.714 1.566 -3.862 238 HD21 LEU 31 HD21 LEU 31 -18.183 4.306 -3.685 239 HD22 LEU 31 HD22 LEU 31 -19.223 3.530 -2.491 240 HD23 LEU 31 HD23 LEU 31 -19.178 2.924 -4.146 241 H ASN 32 HN ASN 32 -18.589 -1.168 -0.115 242 HA ASN 32 HA ASN 32 -21.032 -2.157 -1.202 243 HB2 ASN 32 HB2 ASN 32 -19.173 -3.261 0.910 244 HB3 ASN 32 HB1 ASN 32 -20.595 -4.119 0.324 245 HD21 ASN 32 HD21 ASN 32 -17.820 -4.892 0.170 246 HD22 ASN 32 HD22 ASN 32 -17.456 -5.088 -1.507 247 H LYS 33 HN LYS 33 -20.299 -0.237 1.478 248 HA LYS 33 HA LYS 33 -22.602 -1.080 3.041 249 HB2 LYS 33 HB2 LYS 33 -20.519 -0.511 4.206 250 HB3 LYS 33 HB1 LYS 33 -20.580 1.114 3.537 251 HG2 LYS 33 HG2 LYS 33 -22.938 0.212 5.080 252 HG3 LYS 33 HG1 LYS 33 -21.451 0.516 5.981 253 HD2 LYS 33 HD2 LYS 33 -21.346 2.769 5.171 254 HD3 LYS 33 HD1 LYS 33 -22.685 2.484 4.058 255 HE2 LYS 33 HE2 LYS 33 -22.868 2.361 7.066 256 HE3 LYS 33 HE1 LYS 33 -23.365 3.732 6.077 257 HZ1 LYS 33 HZ1 LYS 33 -24.515 0.997 5.957 258 HZ2 LYS 33 HZ2 LYS 33 -24.984 2.299 4.984 259 HZ3 LYS 33 HZ3 LYS 33 -25.250 2.353 6.654 260 H ARG 34 HN ARG 34 -21.466 1.854 1.378 261 HA ARG 34 HA ARG 34 -23.929 3.249 1.823 262 HB2 ARG 34 HB2 ARG 34 -22.965 4.939 0.266 263 HB3 ARG 34 HB1 ARG 34 -21.919 4.548 1.623 264 HG2 ARG 34 HG2 ARG 34 -20.542 3.153 0.211 265 HG3 ARG 34 HG1 ARG 34 -21.631 3.416 -1.153 266 HD2 ARG 34 HD2 ARG 34 -20.055 5.556 0.273 267 HD3 ARG 34 HD1 ARG 34 -19.628 4.835 -1.278 268 HE ARG 34 HE ARG 34 -22.261 5.948 -1.278 269 HH11 ARG 34 HH11 ARG 34 -18.877 6.724 -1.592 270 HH12 ARG 34 HH12 ARG 34 -19.160 8.147 -2.538 271 HH21 ARG 34 HH21 ARG 34 -22.641 7.819 -2.521 272 HH22 ARG 34 HH22 ARG 34 -21.300 8.772 -3.063 273 H LYS 35 HN LYS 35 -22.450 1.583 -0.922 274 HA LYS 35 HA LYS 35 -23.278 0.857 -2.911 275 HB2 LYS 35 HB2 LYS 35 -25.919 0.807 -1.444 276 HB3 LYS 35 HB1 LYS 35 -25.486 -0.132 -2.867 277 HG2 LYS 35 HG2 LYS 35 -23.935 -1.443 -1.630 278 HG3 LYS 35 HG1 LYS 35 -24.074 -0.386 -0.224 279 HD2 LYS 35 HD2 LYS 35 -25.370 -2.311 0.252 280 HD3 LYS 35 HD1 LYS 35 -26.511 -1.022 -0.134 281 HE2 LYS 35 HE2 LYS 35 -26.729 -1.896 -2.409 282 HE3 LYS 35 HE1 LYS 35 -25.584 -3.180 -2.027 283 HZ1 LYS 35 HZ1 LYS 35 -28.252 -2.776 -0.789 284 HZ2 LYS 35 HZ2 LYS 35 -27.140 -3.958 -0.313 285 HZ3 LYS 35 HZ3 LYS 35 -27.816 -4.010 -1.862 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 27.564 0.314 5.080 2 H2 MET 1 HT2 MET 1 27.042 1.539 4.037 3 H3 MET 1 HT3 MET 1 28.313 0.521 3.578 4 HA MET 1 HA MET 1 26.839 -1.372 3.536 5 HB2 MET 1 HB2 MET 1 24.406 -1.003 3.748 6 HB3 MET 1 HB1 MET 1 25.265 -0.650 5.241 7 HG2 MET 1 HG2 MET 1 25.173 1.748 4.693 8 HG3 MET 1 HG1 MET 1 24.244 1.359 3.247 9 HE1 MET 1 HE1 MET 1 24.013 -0.313 6.816 10 HE2 MET 1 HE2 MET 1 22.748 0.666 7.558 11 HE3 MET 1 HE3 MET 1 24.305 1.392 7.158 12 H THR 2 HN THR 2 24.821 -1.473 1.856 13 HA THR 2 HA THR 2 25.724 0.108 -0.455 14 HB THR 2 HB THR 2 24.042 -2.044 -1.267 15 HG1 THR 2 HG1 THR 2 26.274 -3.111 0.062 16 HG21 THR 2 HG21 THR 2 27.022 -1.616 -1.520 17 HG22 THR 2 HG22 THR 2 25.787 -1.025 -2.631 18 HG23 THR 2 HG23 THR 2 26.070 -2.759 -2.467 19 H PHE 3 HN PHE 3 24.350 1.384 -1.533 20 HA PHE 3 HA PHE 3 21.877 2.112 -0.400 21 HB2 PHE 3 HB2 PHE 3 23.477 3.429 -1.990 22 HB3 PHE 3 HB1 PHE 3 22.551 2.659 -3.275 23 HD1 PHE 3 HD1 PHE 3 21.839 4.368 -0.043 24 HD2 PHE 3 HD2 PHE 3 20.882 3.943 -4.165 25 HE1 PHE 3 HE1 PHE 3 20.109 6.108 0.184 26 HE2 PHE 3 HE2 PHE 3 19.152 5.682 -3.950 27 HZ PHE 3 HZ PHE 3 18.763 6.767 -1.772 28 H ALA 4 HN ALA 4 22.766 -0.122 -2.949 29 HA ALA 4 HA ALA 4 20.165 -0.541 -3.990 30 HB1 ALA 4 HB1 ALA 4 22.181 -1.150 -5.230 31 HB2 ALA 4 HB2 ALA 4 21.108 -2.536 -5.035 32 HB3 ALA 4 HB3 ALA 4 22.550 -2.389 -4.030 33 H GLU 5 HN GLU 5 22.071 -2.167 -1.496 34 HA GLU 5 HA GLU 5 20.260 -4.255 -0.965 35 HB2 GLU 5 HB2 GLU 5 22.358 -2.933 0.758 36 HB3 GLU 5 HB1 GLU 5 21.440 -4.340 1.274 37 HG2 GLU 5 HG2 GLU 5 23.263 -4.190 -1.116 38 HG3 GLU 5 HG1 GLU 5 23.618 -4.979 0.420 39 H LEU 6 HN LEU 6 20.521 -0.963 0.249 40 HA LEU 6 HA LEU 6 18.368 -1.334 2.147 41 HB2 LEU 6 HB2 LEU 6 20.355 0.214 2.481 42 HB3 LEU 6 HB1 LEU 6 19.622 1.264 1.281 43 HG LEU 6 HG LEU 6 17.857 0.507 3.519 44 HD11 LEU 6 HD11 LEU 6 19.949 0.771 4.728 45 HD12 LEU 6 HD12 LEU 6 18.874 2.133 5.046 46 HD13 LEU 6 HD13 LEU 6 20.231 2.320 3.935 47 HD21 LEU 6 HD21 LEU 6 18.544 3.181 2.310 48 HD22 LEU 6 HD22 LEU 6 17.149 2.785 3.312 49 HD23 LEU 6 HD23 LEU 6 17.291 2.106 1.691 50 H GLY 7 HN GLY 7 18.680 -0.665 -1.143 51 HA2 GLY 7 HA2 GLY 7 16.507 1.117 -1.529 52 HA3 GLY 7 HA1 GLY 7 17.232 0.094 -2.757 53 H MET 8 HN MET 8 16.720 -2.424 -1.796 54 HA MET 8 HA MET 8 14.013 -2.766 -2.556 55 HB2 MET 8 HB2 MET 8 15.979 -4.705 -1.328 56 HB3 MET 8 HB1 MET 8 14.406 -5.159 -1.972 57 HG2 MET 8 HG2 MET 8 16.621 -3.873 -3.551 58 HG3 MET 8 HG1 MET 8 16.240 -5.594 -3.543 59 HE1 MET 8 HE1 MET 8 15.083 -4.261 -7.092 60 HE2 MET 8 HE2 MET 8 16.260 -5.249 -6.227 61 HE3 MET 8 HE3 MET 8 16.358 -3.489 -6.149 62 H ALA 9 HN ALA 9 15.664 -3.140 0.578 63 HA ALA 9 HA ALA 9 13.424 -3.924 2.062 64 HB1 ALA 9 HB1 ALA 9 15.835 -2.371 2.997 65 HB2 ALA 9 HB2 ALA 9 15.707 -4.127 2.901 66 HB3 ALA 9 HB3 ALA 9 14.694 -3.230 4.031 67 H PHE 10 HN PHE 10 14.733 -0.710 1.379 68 HA PHE 10 HA PHE 10 12.862 0.711 2.969 69 HB2 PHE 10 HB2 PHE 10 14.879 1.830 2.487 70 HB3 PHE 10 HB1 PHE 10 14.756 1.495 0.766 71 HD1 PHE 10 HD1 PHE 10 14.630 3.453 -0.383 72 HD2 PHE 10 HD2 PHE 10 12.395 3.045 3.215 73 HE1 PHE 10 HE1 PHE 10 13.628 5.669 -0.758 74 HE2 PHE 10 HE2 PHE 10 11.390 5.261 2.848 75 HZ PHE 10 HZ PHE 10 12.007 6.576 0.859 76 H TRP 11 HN TRP 11 13.000 -0.006 -0.517 77 HA TRP 11 HA TRP 11 10.686 1.426 -1.219 78 HB2 TRP 11 HB2 TRP 11 12.353 -0.665 -2.491 79 HB3 TRP 11 HB1 TRP 11 10.710 -0.501 -3.100 80 HD1 TRP 11 HD1 TRP 11 14.076 0.869 -3.603 81 HE1 TRP 11 HE1 TRP 11 13.991 3.026 -5.003 82 HE3 TRP 11 HE3 TRP 11 9.060 1.818 -3.325 83 HZ2 TRP 11 HZ2 TRP 11 12.052 4.884 -5.875 84 HZ3 TRP 11 HZ3 TRP 11 8.170 3.805 -4.471 85 HH2 TRP 11 HH2 TRP 11 9.638 5.306 -5.718 86 H HIS 12 HN HIS 12 11.155 -1.914 -0.183 87 HA HIS 12 HA HIS 12 8.473 -2.731 -0.593 88 HB2 HIS 12 HB2 HIS 12 10.709 -3.835 1.106 89 HB3 HIS 12 HB1 HIS 12 9.122 -4.592 1.026 90 HD1 HIS 12 HD1 HIS 12 10.704 -3.141 -2.061 91 HD2 HIS 12 HD2 HIS 12 10.082 -6.839 -0.271 92 HE1 HIS 12 HE1 HIS 12 11.288 -4.880 -3.802 93 H ASP 13 HN ASP 13 10.209 -1.402 2.179 94 HA ASP 13 HA ASP 13 8.116 -1.730 4.050 95 HB2 ASP 13 HB2 ASP 13 10.410 -1.400 4.784 96 HB3 ASP 13 HB1 ASP 13 10.445 0.197 4.043 97 H LEU 14 HN LEU 14 9.056 0.992 1.963 98 HA LEU 14 HA LEU 14 7.031 2.721 2.996 99 HB2 LEU 14 HB2 LEU 14 7.715 4.302 1.422 100 HB3 LEU 14 HB1 LEU 14 9.174 3.443 1.852 101 HG LEU 14 HG LEU 14 8.560 2.029 -0.305 102 HD11 LEU 14 HD11 LEU 14 7.490 3.298 -2.005 103 HD12 LEU 14 HD12 LEU 14 7.437 4.736 -0.984 104 HD13 LEU 14 HD13 LEU 14 6.436 3.339 -0.591 105 HD21 LEU 14 HD21 LEU 14 10.641 3.201 -0.010 106 HD22 LEU 14 HD22 LEU 14 9.850 4.754 -0.273 107 HD23 LEU 14 HD23 LEU 14 9.986 3.599 -1.597 108 H ALA 15 HN ALA 15 7.210 0.367 0.456 109 HA ALA 15 HA ALA 15 4.880 1.181 -0.948 110 HB1 ALA 15 HB1 ALA 15 6.655 -0.234 -1.931 111 HB2 ALA 15 HB2 ALA 15 5.038 -0.919 -2.112 112 HB3 ALA 15 HB3 ALA 15 6.135 -1.559 -0.887 113 H ALA 16 HN ALA 16 5.459 -0.963 1.775 114 HA ALA 16 HA ALA 16 3.153 -2.439 1.865 115 HB1 ALA 16 HB1 ALA 16 4.940 -2.817 3.424 116 HB2 ALA 16 HB2 ALA 16 3.452 -2.512 4.322 117 HB3 ALA 16 HB3 ALA 16 4.671 -1.247 4.179 118 HA PRO 17 HA PRO 17 0.739 1.039 4.173 119 HB2 PRO 17 HB2 PRO 17 1.782 3.548 4.217 120 HB3 PRO 17 HB1 PRO 17 2.147 2.340 5.465 121 HG2 PRO 17 HG2 PRO 17 3.776 3.162 3.112 122 HG3 PRO 17 HG1 PRO 17 4.284 2.844 4.783 123 HD2 PRO 17 HD2 PRO 17 4.600 1.033 2.798 124 HD3 PRO 17 HD1 PRO 17 4.317 0.571 4.487 125 H VAL 18 HN VAL 18 2.581 1.839 1.301 126 HA VAL 18 HA VAL 18 0.767 3.736 0.215 127 HB VAL 18 HB VAL 18 2.846 1.995 -1.120 128 HG11 VAL 18 HG11 VAL 18 1.259 4.280 -2.287 129 HG12 VAL 18 HG12 VAL 18 1.154 2.583 -2.756 130 HG13 VAL 18 HG13 VAL 18 2.635 3.491 -3.059 131 HG21 VAL 18 HG21 VAL 18 2.948 4.959 -0.628 132 HG22 VAL 18 HG22 VAL 18 4.270 3.872 -1.058 133 HG23 VAL 18 HG23 VAL 18 3.543 3.786 0.546 134 H ILE 19 HN ILE 19 1.256 0.275 -0.345 135 HA ILE 19 HA ILE 19 -0.874 -0.011 -2.199 136 HB ILE 19 HB ILE 19 0.434 -2.144 -0.506 137 HG12 ILE 19 HG12 ILE 19 1.144 -1.481 -3.352 138 HG13 ILE 19 HG11 ILE 19 1.910 -0.634 -2.012 139 HG21 ILE 19 HG21 ILE 19 -1.650 -2.879 -1.510 140 HG22 ILE 19 HG22 ILE 19 -0.280 -3.660 -2.300 141 HG23 ILE 19 HG23 ILE 19 -1.107 -2.318 -3.091 142 HD11 ILE 19 HD11 ILE 19 2.798 -2.698 -1.159 143 HD12 ILE 19 HD12 ILE 19 3.236 -2.522 -2.858 144 HD13 ILE 19 HD13 ILE 19 1.935 -3.617 -2.392 145 H ALA 20 HN ALA 20 -0.567 -0.449 1.287 146 HA ALA 20 HA ALA 20 -3.118 -1.626 1.688 147 HB1 ALA 20 HB1 ALA 20 -2.754 -1.150 4.054 148 HB2 ALA 20 HB2 ALA 20 -1.389 -0.111 3.642 149 HB3 ALA 20 HB3 ALA 20 -1.308 -1.842 3.317 150 H GLY 21 HN GLY 21 -1.958 1.691 1.584 151 HA2 GLY 21 HA2 GLY 21 -4.291 2.902 2.661 152 HA3 GLY 21 HA1 GLY 21 -3.063 3.707 1.695 153 H ILE 22 HN ILE 22 -3.228 2.337 -0.685 154 HA ILE 22 HA ILE 22 -5.512 3.534 -1.873 155 HB ILE 22 HB ILE 22 -3.646 1.474 -3.059 156 HG12 ILE 22 HG12 ILE 22 -3.550 4.488 -3.299 157 HG13 ILE 22 HG11 ILE 22 -2.549 3.561 -2.187 158 HG21 ILE 22 HG21 ILE 22 -5.736 1.689 -4.297 159 HG22 ILE 22 HG22 ILE 22 -4.390 2.362 -5.216 160 HG23 ILE 22 HG23 ILE 22 -5.515 3.436 -4.385 161 HD11 ILE 22 HD11 ILE 22 -2.523 3.369 -5.189 162 HD12 ILE 22 HD12 ILE 22 -1.547 2.390 -4.095 163 HD13 ILE 22 HD13 ILE 22 -1.304 4.135 -4.171 164 H LEU 23 HN LEU 23 -4.683 0.243 -0.934 165 HA LEU 23 HA LEU 23 -6.887 -1.051 -2.122 166 HB2 LEU 23 HB2 LEU 23 -4.972 -2.318 -1.398 167 HB3 LEU 23 HB1 LEU 23 -5.184 -1.782 0.258 168 HG LEU 23 HG LEU 23 -7.313 -3.042 0.369 169 HD11 LEU 23 HD11 LEU 23 -6.498 -4.030 -2.360 170 HD12 LEU 23 HD12 LEU 23 -7.896 -3.021 -1.989 171 HD13 LEU 23 HD13 LEU 23 -7.818 -4.676 -1.384 172 HD21 LEU 23 HD21 LEU 23 -5.217 -4.035 1.153 173 HD22 LEU 23 HD22 LEU 23 -4.928 -4.690 -0.459 174 HD23 LEU 23 HD23 LEU 23 -6.305 -5.252 0.487 175 H ALA 24 HN ALA 24 -6.412 0.486 1.006 176 HA ALA 24 HA ALA 24 -8.788 -0.357 2.242 177 HB1 ALA 24 HB1 ALA 24 -6.898 0.676 3.439 178 HB2 ALA 24 HB2 ALA 24 -8.433 1.465 3.798 179 HB3 ALA 24 HB3 ALA 24 -7.291 2.223 2.689 180 H SER 25 HN SER 25 -8.055 2.481 0.255 181 HA SER 25 HA SER 25 -10.520 3.786 0.522 182 HB2 SER 25 HB2 SER 25 -8.593 3.815 -1.815 183 HB3 SER 25 HB1 SER 25 -9.902 4.970 -1.562 184 HG SER 25 HG SER 25 -7.507 5.244 -0.703 185 H MET 26 HN MET 26 -9.461 1.233 -1.660 186 HA MET 26 HA MET 26 -11.753 1.299 -3.333 187 HB2 MET 26 HB2 MET 26 -9.793 -0.941 -2.808 188 HB3 MET 26 HB1 MET 26 -10.994 -0.934 -4.092 189 HG2 MET 26 HG2 MET 26 -9.901 1.178 -4.933 190 HG3 MET 26 HG1 MET 26 -8.598 0.849 -3.792 191 HE1 MET 26 HE1 MET 26 -8.532 -2.337 -3.863 192 HE2 MET 26 HE2 MET 26 -7.061 -1.365 -3.910 193 HE3 MET 26 HE3 MET 26 -7.313 -2.642 -5.100 194 H ILE 27 HN ILE 27 -10.919 -0.470 -0.402 195 HA ILE 27 HA ILE 27 -13.144 -2.220 -0.417 196 HB ILE 27 HB ILE 27 -11.482 -1.243 1.911 197 HG12 ILE 27 HG12 ILE 27 -11.344 -3.836 0.356 198 HG13 ILE 27 HG11 ILE 27 -10.251 -2.476 0.128 199 HG21 ILE 27 HG21 ILE 27 -13.617 -2.062 2.701 200 HG22 ILE 27 HG22 ILE 27 -12.352 -3.227 3.093 201 HG23 ILE 27 HG23 ILE 27 -13.441 -3.530 1.740 202 HD11 ILE 27 HD11 ILE 27 -9.247 -4.212 1.501 203 HD12 ILE 27 HD12 ILE 27 -10.570 -4.071 2.659 204 HD13 ILE 27 HD13 ILE 27 -9.461 -2.720 2.417 205 H VAL 28 HN VAL 28 -12.587 0.953 1.054 206 HA VAL 28 HA VAL 28 -15.048 1.090 2.443 207 HB VAL 28 HB VAL 28 -13.291 3.345 1.457 208 HG11 VAL 28 HG11 VAL 28 -15.488 3.343 3.524 209 HG12 VAL 28 HG12 VAL 28 -15.535 4.136 1.950 210 HG13 VAL 28 HG13 VAL 28 -14.404 4.691 3.184 211 HG21 VAL 28 HG21 VAL 28 -12.124 1.803 2.949 212 HG22 VAL 28 HG22 VAL 28 -13.413 1.971 4.140 213 HG23 VAL 28 HG23 VAL 28 -12.401 3.357 3.734 214 H ASN 29 HN ASN 29 -14.035 2.208 -0.763 215 HA ASN 29 HA ASN 29 -16.360 3.595 -1.460 216 HB2 ASN 29 HB2 ASN 29 -14.294 2.150 -3.113 217 HB3 ASN 29 HB1 ASN 29 -15.642 3.012 -3.851 218 HD21 ASN 29 HD21 ASN 29 -12.779 3.515 -4.032 219 HD22 ASN 29 HD22 ASN 29 -12.538 5.133 -3.476 220 H TRP 30 HN TRP 30 -15.542 0.180 -1.720 221 HA TRP 30 HA TRP 30 -17.862 -0.585 -3.167 222 HB2 TRP 30 HB2 TRP 30 -16.131 -2.121 -3.348 223 HB3 TRP 30 HB1 TRP 30 -15.729 -2.025 -1.638 224 HD1 TRP 30 HD1 TRP 30 -18.800 -3.284 -3.683 225 HE1 TRP 30 HE1 TRP 30 -19.588 -5.491 -2.617 226 HE3 TRP 30 HE3 TRP 30 -15.432 -3.581 0.148 227 HZ2 TRP 30 HZ2 TRP 30 -18.875 -7.139 -0.437 228 HZ3 TRP 30 HZ3 TRP 30 -15.552 -5.498 1.683 229 HH2 TRP 30 HH2 TRP 30 -17.240 -7.242 1.394 230 H LEU 31 HN LEU 31 -17.013 -0.725 0.284 231 HA LEU 31 HA LEU 31 -19.411 -1.913 1.147 232 HB2 LEU 31 HB2 LEU 31 -17.281 -0.314 2.506 233 HB3 LEU 31 HB1 LEU 31 -18.741 -0.747 3.373 234 HG LEU 31 HG LEU 31 -16.956 -2.775 2.038 235 HD11 LEU 31 HD11 LEU 31 -16.080 -3.240 4.278 236 HD12 LEU 31 HD12 LEU 31 -16.987 -1.867 4.911 237 HD13 LEU 31 HD13 LEU 31 -15.688 -1.604 3.749 238 HD21 LEU 31 HD21 LEU 31 -19.088 -3.055 4.154 239 HD22 LEU 31 HD22 LEU 31 -18.138 -4.361 3.444 240 HD23 LEU 31 HD23 LEU 31 -19.281 -3.460 2.449 241 H ASN 32 HN ASN 32 -18.554 1.409 0.476 242 HA ASN 32 HA ASN 32 -20.777 2.600 1.787 243 HB2 ASN 32 HB2 ASN 32 -18.862 3.555 -0.331 244 HB3 ASN 32 HB1 ASN 32 -20.218 4.548 0.192 245 HD21 ASN 32 HD21 ASN 32 -18.573 2.400 2.377 246 HD22 ASN 32 HD22 ASN 32 -17.793 3.625 3.311 247 H LYS 33 HN LYS 33 -20.494 0.768 -1.027 248 HA LYS 33 HA LYS 33 -22.820 1.949 -2.323 249 HB2 LYS 33 HB2 LYS 33 -20.949 1.292 -3.741 250 HB3 LYS 33 HB1 LYS 33 -21.030 -0.353 -3.129 251 HG2 LYS 33 HG2 LYS 33 -23.494 0.711 -4.355 252 HG3 LYS 33 HG1 LYS 33 -22.132 0.418 -5.438 253 HD2 LYS 33 HD2 LYS 33 -21.985 -1.886 -4.631 254 HD3 LYS 33 HD1 LYS 33 -23.336 -1.593 -3.535 255 HE2 LYS 33 HE2 LYS 33 -23.441 -1.412 -6.544 256 HE3 LYS 33 HE1 LYS 33 -24.042 -2.758 -5.577 257 HZ1 LYS 33 HZ1 LYS 33 -25.039 0.038 -5.468 258 HZ2 LYS 33 HZ2 LYS 33 -25.611 -1.243 -4.524 259 HZ3 LYS 33 HZ3 LYS 33 -25.828 -1.267 -6.201 260 H ARG 34 HN ARG 34 -21.838 -1.009 -0.677 261 HA ARG 34 HA ARG 34 -24.501 -2.153 -0.958 262 HB2 ARG 34 HB2 ARG 34 -23.540 -4.126 0.142 263 HB3 ARG 34 HB1 ARG 34 -22.580 -3.632 -1.245 264 HG2 ARG 34 HG2 ARG 34 -20.908 -2.670 0.168 265 HG3 ARG 34 HG1 ARG 34 -21.912 -2.912 1.600 266 HD2 ARG 34 HD2 ARG 34 -20.803 -5.104 -0.152 267 HD3 ARG 34 HD1 ARG 34 -20.134 -4.603 1.400 268 HE ARG 34 HE ARG 34 -22.907 -5.370 1.505 269 HH11 ARG 34 HH11 ARG 34 -19.607 -6.472 1.698 270 HH12 ARG 34 HH12 ARG 34 -19.998 -7.889 2.614 271 HH21 ARG 34 HH21 ARG 34 -23.431 -7.232 2.711 272 HH22 ARG 34 HH22 ARG 34 -22.172 -8.322 3.190 273 H LYS 35 HN LYS 35 -23.816 0.274 0.721 274 HA LYS 35 HA LYS 35 -23.933 -0.288 3.441 275 HB2 LYS 35 HB2 LYS 35 -25.011 2.006 3.614 276 HB3 LYS 35 HB1 LYS 35 -23.453 1.936 2.804 277 HG2 LYS 35 HG2 LYS 35 -24.646 1.930 0.628 278 HG3 LYS 35 HG1 LYS 35 -26.160 2.155 1.505 279 HD2 LYS 35 HD2 LYS 35 -23.795 4.024 1.637 280 HD3 LYS 35 HD1 LYS 35 -25.218 4.269 0.622 281 HE2 LYS 35 HE2 LYS 35 -26.628 4.302 2.634 282 HE3 LYS 35 HE1 LYS 35 -25.192 4.088 3.635 283 HZ1 LYS 35 HZ1 LYS 35 -24.343 6.194 2.774 284 HZ2 LYS 35 HZ2 LYS 35 -25.832 6.401 3.549 285 HZ3 LYS 35 HZ3 LYS 35 -25.753 6.403 1.860 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 28.253 -0.341 -3.310 2 H2 MET 1 HT2 MET 1 27.804 -1.328 -4.608 3 H3 MET 1 HT3 MET 1 27.953 -1.987 -3.057 4 HA MET 1 HA MET 1 25.967 0.055 -3.861 5 HB2 MET 1 HB2 MET 1 25.613 -2.211 -4.850 6 HB3 MET 1 HB1 MET 1 25.534 -2.860 -3.218 7 HG2 MET 1 HG2 MET 1 23.597 -1.412 -2.763 8 HG3 MET 1 HG1 MET 1 23.659 -0.843 -4.431 9 HE1 MET 1 HE1 MET 1 22.925 -5.264 -3.360 10 HE2 MET 1 HE2 MET 1 23.134 -4.021 -2.126 11 HE3 MET 1 HE3 MET 1 24.471 -4.427 -3.202 12 H THR 2 HN THR 2 24.526 0.676 -2.259 13 HA THR 2 HA THR 2 25.430 0.102 0.483 14 HB THR 2 HB THR 2 23.922 2.330 0.780 15 HG1 THR 2 HG1 THR 2 24.792 3.678 -1.066 16 HG21 THR 2 HG21 THR 2 26.182 2.032 1.641 17 HG22 THR 2 HG22 THR 2 26.046 3.585 0.815 18 HG23 THR 2 HG23 THR 2 26.846 2.230 0.019 19 H PHE 3 HN PHE 3 24.115 -1.035 1.717 20 HA PHE 3 HA PHE 3 21.573 -1.918 0.882 21 HB2 PHE 3 HB2 PHE 3 23.280 -2.880 2.653 22 HB3 PHE 3 HB1 PHE 3 22.324 -1.920 3.777 23 HD1 PHE 3 HD1 PHE 3 20.609 -2.998 4.845 24 HD2 PHE 3 HD2 PHE 3 21.763 -4.297 0.962 25 HE1 PHE 3 HE1 PHE 3 18.939 -4.803 4.957 26 HE2 PHE 3 HE2 PHE 3 20.097 -6.104 1.065 27 HZ PHE 3 HZ PHE 3 18.681 -6.359 3.065 28 H ALA 4 HN ALA 4 22.619 0.742 2.910 29 HA ALA 4 HA ALA 4 20.059 1.384 3.961 30 HB1 ALA 4 HB1 ALA 4 22.148 2.117 5.021 31 HB2 ALA 4 HB2 ALA 4 21.078 3.475 4.670 32 HB3 ALA 4 HB3 ALA 4 22.475 3.163 3.639 33 H GLU 5 HN GLU 5 21.929 2.555 1.188 34 HA GLU 5 HA GLU 5 20.072 4.542 0.402 35 HB2 GLU 5 HB2 GLU 5 22.200 3.086 -1.179 36 HB3 GLU 5 HB1 GLU 5 21.285 4.462 -1.785 37 HG2 GLU 5 HG2 GLU 5 23.138 4.453 0.585 38 HG3 GLU 5 HG1 GLU 5 23.453 5.170 -0.994 39 H LEU 6 HN LEU 6 20.394 1.120 -0.297 40 HA LEU 6 HA LEU 6 18.273 1.192 -2.279 41 HB2 LEU 6 HB2 LEU 6 20.324 -0.335 -2.366 42 HB3 LEU 6 HB1 LEU 6 19.550 -1.261 -1.092 43 HG LEU 6 HG LEU 6 17.870 -0.768 -3.464 44 HD11 LEU 6 HD11 LEU 6 20.030 -1.122 -4.541 45 HD12 LEU 6 HD12 LEU 6 18.959 -2.501 -4.792 46 HD13 LEU 6 HD13 LEU 6 20.260 -2.600 -3.605 47 HD21 LEU 6 HD21 LEU 6 18.539 -3.232 -1.858 48 HD22 LEU 6 HD22 LEU 6 17.273 -3.098 -3.078 49 HD23 LEU 6 HD23 LEU 6 17.161 -2.167 -1.585 50 H GLY 7 HN GLY 7 18.576 0.951 1.070 51 HA2 GLY 7 HA2 GLY 7 16.447 -0.821 1.671 52 HA3 GLY 7 HA1 GLY 7 17.130 0.376 2.760 53 H MET 8 HN MET 8 16.572 2.735 1.530 54 HA MET 8 HA MET 8 13.834 3.090 2.157 55 HB2 MET 8 HB2 MET 8 15.753 4.935 0.719 56 HB3 MET 8 HB1 MET 8 14.176 5.405 1.342 57 HG2 MET 8 HG2 MET 8 16.450 4.365 3.016 58 HG3 MET 8 HG1 MET 8 16.042 6.066 2.806 59 HE1 MET 8 HE1 MET 8 16.335 4.758 5.655 60 HE2 MET 8 HE2 MET 8 14.914 5.387 6.489 61 HE3 MET 8 HE3 MET 8 15.849 6.438 5.425 62 H ALA 9 HN ALA 9 15.592 3.022 -0.928 63 HA ALA 9 HA ALA 9 13.411 3.606 -2.593 64 HB1 ALA 9 HB1 ALA 9 14.758 2.683 -4.399 65 HB2 ALA 9 HB2 ALA 9 15.843 1.937 -3.225 66 HB3 ALA 9 HB3 ALA 9 15.741 3.694 -3.340 67 H PHE 10 HN PHE 10 14.705 0.509 -1.465 68 HA PHE 10 HA PHE 10 12.867 -1.097 -2.914 69 HB2 PHE 10 HB2 PHE 10 14.881 -2.142 -2.274 70 HB3 PHE 10 HB1 PHE 10 14.727 -1.613 -0.605 71 HD1 PHE 10 HD1 PHE 10 14.616 -3.446 0.737 72 HD2 PHE 10 HD2 PHE 10 12.376 -3.422 -2.881 73 HE1 PHE 10 HE1 PHE 10 13.611 -5.606 1.350 74 HE2 PHE 10 HE2 PHE 10 11.370 -5.585 -2.278 75 HZ PHE 10 HZ PHE 10 11.987 -6.680 -0.160 76 H TRP 11 HN TRP 11 12.946 0.029 0.463 77 HA TRP 11 HA TRP 11 10.626 -1.325 1.291 78 HB2 TRP 11 HB2 TRP 11 12.253 0.927 2.338 79 HB3 TRP 11 HB1 TRP 11 10.618 0.762 2.967 80 HD1 TRP 11 HD1 TRP 11 14.042 -0.457 3.555 81 HE1 TRP 11 HE1 TRP 11 14.034 -2.461 5.168 82 HE3 TRP 11 HE3 TRP 11 9.048 -1.549 3.469 83 HZ2 TRP 11 HZ2 TRP 11 12.160 -4.267 6.260 84 HZ3 TRP 11 HZ3 TRP 11 8.230 -3.431 4.826 85 HH2 TRP 11 HH2 TRP 11 9.756 -4.762 6.191 86 H HIS 12 HN HIS 12 11.101 1.880 -0.114 87 HA HIS 12 HA HIS 12 8.406 2.719 0.162 88 HB2 HIS 12 HB2 HIS 12 10.662 3.650 -1.611 89 HB3 HIS 12 HB1 HIS 12 9.065 4.390 -1.653 90 HD1 HIS 12 HD1 HIS 12 10.674 3.329 1.589 91 HD2 HIS 12 HD2 HIS 12 9.890 6.783 -0.582 92 HE1 HIS 12 HE1 HIS 12 11.175 5.268 3.134 93 H ASP 13 HN ASP 13 10.198 1.097 -2.409 94 HA ASP 13 HA ASP 13 8.149 1.194 -4.351 95 HB2 ASP 13 HB2 ASP 13 10.454 0.755 -4.984 96 HB3 ASP 13 HB1 ASP 13 10.461 -0.730 -4.038 97 H LEU 14 HN LEU 14 9.034 -1.255 -1.935 98 HA LEU 14 HA LEU 14 7.000 -3.078 -2.763 99 HB2 LEU 14 HB2 LEU 14 7.659 -4.460 -0.998 100 HB3 LEU 14 HB1 LEU 14 9.126 -3.686 -1.548 101 HG LEU 14 HG LEU 14 8.582 -2.001 0.414 102 HD11 LEU 14 HD11 LEU 14 7.482 -2.984 2.269 103 HD12 LEU 14 HD12 LEU 14 7.380 -4.550 1.463 104 HD13 LEU 14 HD13 LEU 14 6.416 -3.195 0.879 105 HD21 LEU 14 HD21 LEU 14 9.778 -4.751 0.731 106 HD22 LEU 14 HD22 LEU 14 9.964 -3.439 1.894 107 HD23 LEU 14 HD23 LEU 14 10.619 -3.272 0.266 108 H ALA 15 HN ALA 15 7.181 -0.436 -0.521 109 HA ALA 15 HA ALA 15 4.838 -1.065 0.959 110 HB1 ALA 15 HB1 ALA 15 6.587 0.430 1.813 111 HB2 ALA 15 HB2 ALA 15 4.995 1.192 1.832 112 HB3 ALA 15 HB3 ALA 15 6.162 1.616 0.578 113 H ALA 16 HN ALA 16 5.444 0.759 -1.986 114 HA ALA 16 HA ALA 16 3.159 2.236 -2.256 115 HB1 ALA 16 HB1 ALA 16 3.512 2.239 -4.609 116 HB2 ALA 16 HB2 ALA 16 4.407 0.722 -4.540 117 HB3 ALA 16 HB3 ALA 16 5.096 2.183 -3.835 118 HA PRO 17 HA PRO 17 0.684 -1.471 -4.106 119 HB2 PRO 17 HB2 PRO 17 1.682 -3.980 -3.793 120 HB3 PRO 17 HB1 PRO 17 2.071 -2.967 -5.197 121 HG2 PRO 17 HG2 PRO 17 3.679 -3.476 -2.741 122 HG3 PRO 17 HG1 PRO 17 4.197 -3.410 -4.438 123 HD2 PRO 17 HD2 PRO 17 4.546 -1.340 -2.736 124 HD3 PRO 17 HD1 PRO 17 4.263 -1.117 -4.472 125 H VAL 18 HN VAL 18 2.496 -1.855 -1.146 126 HA VAL 18 HA VAL 18 0.664 -3.575 0.191 127 HB VAL 18 HB VAL 18 2.771 -1.706 1.289 128 HG11 VAL 18 HG11 VAL 18 1.209 -3.871 2.694 129 HG12 VAL 18 HG12 VAL 18 1.090 -2.136 2.989 130 HG13 VAL 18 HG13 VAL 18 2.581 -2.994 3.372 131 HG21 VAL 18 HG21 VAL 18 4.208 -3.567 1.386 132 HG22 VAL 18 HG22 VAL 18 3.445 -3.663 -0.201 133 HG23 VAL 18 HG23 VAL 18 2.889 -4.704 1.109 134 H ILE 19 HN ILE 19 1.217 -0.076 0.285 135 HA ILE 19 HA ILE 19 -0.871 0.483 2.126 136 HB ILE 19 HB ILE 19 0.422 2.360 0.143 137 HG12 ILE 19 HG12 ILE 19 1.203 2.047 3.031 138 HG13 ILE 19 HG11 ILE 19 1.930 1.040 1.783 139 HG21 ILE 19 HG21 ILE 19 -1.621 3.255 1.094 140 HG22 ILE 19 HG22 ILE 19 -0.223 4.101 1.758 141 HG23 ILE 19 HG23 ILE 19 -1.054 2.879 2.721 142 HD11 ILE 19 HD11 ILE 19 3.293 2.998 2.347 143 HD12 ILE 19 HD12 ILE 19 1.979 4.048 1.818 144 HD13 ILE 19 HD13 ILE 19 2.787 2.992 0.659 145 H ALA 20 HN ALA 20 -0.606 0.610 -1.403 146 HA ALA 20 HA ALA 20 -3.180 1.692 -1.868 147 HB1 ALA 20 HB1 ALA 20 -2.842 1.023 -4.185 148 HB2 ALA 20 HB2 ALA 20 -1.471 0.021 -3.709 149 HB3 ALA 20 HB3 ALA 20 -1.385 1.773 -3.533 150 H GLY 21 HN GLY 21 -1.976 -1.586 -1.478 151 HA2 GLY 21 HA2 GLY 21 -4.282 -2.936 -2.419 152 HA3 GLY 21 HA1 GLY 21 -3.053 -3.613 -1.361 153 H ILE 22 HN ILE 22 -3.270 -1.984 0.852 154 HA ILE 22 HA ILE 22 -5.526 -3.104 2.158 155 HB ILE 22 HB ILE 22 -3.700 -0.881 3.086 156 HG12 ILE 22 HG12 ILE 22 -3.619 -3.825 3.772 157 HG13 ILE 22 HG11 ILE 22 -2.609 -3.083 2.537 158 HG21 ILE 22 HG21 ILE 22 -5.781 -0.883 4.328 159 HG22 ILE 22 HG22 ILE 22 -4.472 -1.488 5.344 160 HG23 ILE 22 HG23 ILE 22 -5.627 -2.614 4.630 161 HD11 ILE 22 HD11 ILE 22 -1.582 -1.660 4.222 162 HD12 ILE 22 HD12 ILE 22 -1.405 -3.367 4.629 163 HD13 ILE 22 HD13 ILE 22 -2.607 -2.382 5.462 164 H LEU 23 HN LEU 23 -4.774 0.146 0.970 165 HA LEU 23 HA LEU 23 -7.076 1.418 1.981 166 HB2 LEU 23 HB2 LEU 23 -5.217 2.747 1.273 167 HB3 LEU 23 HB1 LEU 23 -5.270 2.069 -0.342 168 HG LEU 23 HG LEU 23 -7.400 3.209 -0.763 169 HD11 LEU 23 HD11 LEU 23 -8.238 4.871 0.835 170 HD12 LEU 23 HD12 LEU 23 -7.019 4.355 2.000 171 HD13 LEU 23 HD13 LEU 23 -8.288 3.238 1.498 172 HD21 LEU 23 HD21 LEU 23 -5.223 5.022 0.271 173 HD22 LEU 23 HD22 LEU 23 -6.534 5.504 -0.806 174 HD23 LEU 23 HD23 LEU 23 -5.329 4.337 -1.350 175 H ALA 24 HN ALA 24 -6.424 -0.305 -1.013 176 HA ALA 24 HA ALA 24 -8.803 0.377 -2.365 177 HB1 ALA 24 HB1 ALA 24 -8.303 -1.540 -3.806 178 HB2 ALA 24 HB2 ALA 24 -7.077 -2.079 -2.658 179 HB3 ALA 24 HB3 ALA 24 -6.870 -0.554 -3.518 180 H SER 25 HN SER 25 -7.980 -2.232 -0.144 181 HA SER 25 HA SER 25 -10.338 -3.740 -0.445 182 HB2 SER 25 HB2 SER 25 -8.495 -3.504 1.945 183 HB3 SER 25 HB1 SER 25 -9.720 -4.753 1.729 184 HG SER 25 HG SER 25 -8.170 -5.782 0.753 185 H MET 26 HN MET 26 -9.509 -1.050 1.692 186 HA MET 26 HA MET 26 -11.863 -1.167 3.263 187 HB2 MET 26 HB2 MET 26 -10.036 1.177 2.710 188 HB3 MET 26 HB1 MET 26 -11.251 1.113 3.979 189 HG2 MET 26 HG2 MET 26 -10.027 -0.869 4.910 190 HG3 MET 26 HG1 MET 26 -8.747 -0.531 3.749 191 HE1 MET 26 HE1 MET 26 -7.330 1.766 3.748 192 HE2 MET 26 HE2 MET 26 -7.631 3.077 4.887 193 HE3 MET 26 HE3 MET 26 -8.847 2.663 3.679 194 H ILE 27 HN ILE 27 -10.997 0.647 0.351 195 HA ILE 27 HA ILE 27 -13.327 2.224 0.218 196 HB ILE 27 HB ILE 27 -11.491 1.301 -1.996 197 HG12 ILE 27 HG12 ILE 27 -11.639 3.936 -0.514 198 HG13 ILE 27 HG11 ILE 27 -10.452 2.674 -0.204 199 HG21 ILE 27 HG21 ILE 27 -13.612 3.446 -2.026 200 HG22 ILE 27 HG22 ILE 27 -13.640 1.928 -2.926 201 HG23 ILE 27 HG23 ILE 27 -12.434 3.157 -3.306 202 HD11 ILE 27 HD11 ILE 27 -10.774 4.215 -2.768 203 HD12 ILE 27 HD12 ILE 27 -9.593 2.937 -2.478 204 HD13 ILE 27 HD13 ILE 27 -9.507 4.440 -1.561 205 H VAL 28 HN VAL 28 -12.537 -0.948 -1.147 206 HA VAL 28 HA VAL 28 -14.939 -1.241 -2.620 207 HB VAL 28 HB VAL 28 -13.030 -3.338 -1.573 208 HG11 VAL 28 HG11 VAL 28 -15.269 -3.600 -3.579 209 HG12 VAL 28 HG12 VAL 28 -15.204 -4.340 -1.980 210 HG13 VAL 28 HG13 VAL 28 -14.063 -4.838 -3.229 211 HG21 VAL 28 HG21 VAL 28 -13.326 -2.157 -4.334 212 HG22 VAL 28 HG22 VAL 28 -12.138 -3.356 -3.822 213 HG23 VAL 28 HG23 VAL 28 -12.074 -1.719 -3.172 214 H ASN 29 HN ASN 29 -13.969 -2.215 0.641 215 HA ASN 29 HA ASN 29 -16.272 -3.718 1.253 216 HB2 ASN 29 HB2 ASN 29 -14.297 -2.254 3.005 217 HB3 ASN 29 HB1 ASN 29 -15.606 -3.235 3.655 218 HD21 ASN 29 HD21 ASN 29 -12.731 -3.576 3.904 219 HD22 ASN 29 HD22 ASN 29 -12.376 -5.145 3.275 220 H TRP 30 HN TRP 30 -15.491 -0.299 1.697 221 HA TRP 30 HA TRP 30 -17.839 0.384 3.112 222 HB2 TRP 30 HB2 TRP 30 -16.115 1.938 3.325 223 HB3 TRP 30 HB1 TRP 30 -15.760 1.930 1.602 224 HD1 TRP 30 HD1 TRP 30 -18.845 2.960 3.749 225 HE1 TRP 30 HE1 TRP 30 -19.729 5.192 2.821 226 HE3 TRP 30 HE3 TRP 30 -15.511 3.625 -0.066 227 HZ2 TRP 30 HZ2 TRP 30 -19.096 6.997 0.742 228 HZ3 TRP 30 HZ3 TRP 30 -15.717 5.627 -1.480 229 HH2 TRP 30 HH2 TRP 30 -17.475 7.280 -1.083 230 H LEU 31 HN LEU 31 -16.986 0.722 -0.330 231 HA LEU 31 HA LEU 31 -19.437 1.839 -1.130 232 HB2 LEU 31 HB2 LEU 31 -17.215 0.448 -2.559 233 HB3 LEU 31 HB1 LEU 31 -18.699 0.826 -3.417 234 HG LEU 31 HG LEU 31 -17.107 2.911 -1.941 235 HD11 LEU 31 HD11 LEU 31 -16.941 2.134 -4.847 236 HD12 LEU 31 HD12 LEU 31 -15.674 1.933 -3.637 237 HD13 LEU 31 HD13 LEU 31 -16.185 3.551 -4.118 238 HD21 LEU 31 HD21 LEU 31 -19.206 3.081 -4.099 239 HD22 LEU 31 HD22 LEU 31 -18.349 4.448 -3.387 240 HD23 LEU 31 HD23 LEU 31 -19.432 3.472 -2.394 241 H ASN 32 HN ASN 32 -18.345 -1.520 -0.946 242 HA ASN 32 HA ASN 32 -20.640 -2.637 -2.180 243 HB2 ASN 32 HB2 ASN 32 -18.573 -3.820 -0.321 244 HB3 ASN 32 HB1 ASN 32 -19.868 -4.766 -1.047 245 HD21 ASN 32 HD21 ASN 32 -18.346 -6.052 -2.120 246 HD22 ASN 32 HD22 ASN 32 -17.505 -5.483 -3.519 247 H LYS 33 HN LYS 33 -20.128 -1.214 0.841 248 HA LYS 33 HA LYS 33 -22.241 -2.668 2.206 249 HB2 LYS 33 HB2 LYS 33 -20.220 -1.972 3.439 250 HB3 LYS 33 HB1 LYS 33 -20.596 -0.290 3.100 251 HG2 LYS 33 HG2 LYS 33 -22.662 -1.914 4.476 252 HG3 LYS 33 HG1 LYS 33 -21.228 -1.449 5.392 253 HD2 LYS 33 HD2 LYS 33 -22.750 0.595 3.817 254 HD3 LYS 33 HD1 LYS 33 -23.313 0.098 5.413 255 HE2 LYS 33 HE2 LYS 33 -21.947 2.067 5.636 256 HE3 LYS 33 HE1 LYS 33 -21.096 0.691 6.336 257 HZ1 LYS 33 HZ1 LYS 33 -19.642 2.091 4.988 258 HZ2 LYS 33 HZ2 LYS 33 -20.604 1.806 3.627 259 HZ3 LYS 33 HZ3 LYS 33 -19.759 0.530 4.346 260 H ARG 34 HN ARG 34 -21.684 0.438 0.673 261 HA ARG 34 HA ARG 34 -24.351 1.368 1.407 262 HB2 ARG 34 HB2 ARG 34 -23.681 3.492 0.384 263 HB3 ARG 34 HB1 ARG 34 -22.513 2.967 1.587 264 HG2 ARG 34 HG2 ARG 34 -20.975 2.271 -0.106 265 HG3 ARG 34 HG1 ARG 34 -22.177 2.534 -1.372 266 HD2 ARG 34 HD2 ARG 34 -20.988 4.663 0.403 267 HD3 ARG 34 HD1 ARG 34 -20.542 4.357 -1.275 268 HE ARG 34 HE ARG 34 -23.342 4.861 -0.941 269 HH11 ARG 34 HH11 ARG 34 -20.216 6.363 -1.289 270 HH12 ARG 34 HH12 ARG 34 -20.854 7.834 -1.943 271 HH21 ARG 34 HH21 ARG 34 -24.188 6.794 -1.801 272 HH22 ARG 34 HH22 ARG 34 -23.111 8.079 -2.234 273 H LYS 35 HN LYS 35 -23.013 -0.498 -0.957 274 HA LYS 35 HA LYS 35 -23.663 -1.213 -3.012 275 HB2 LYS 35 HB2 LYS 35 -26.264 -0.133 -1.946 276 HB3 LYS 35 HB1 LYS 35 -26.154 -0.891 -3.528 277 HG2 LYS 35 HG2 LYS 35 -26.902 -2.544 -2.012 278 HG3 LYS 35 HG1 LYS 35 -25.221 -2.919 -2.392 279 HD2 LYS 35 HD2 LYS 35 -24.489 -1.974 -0.298 280 HD3 LYS 35 HD1 LYS 35 -26.126 -1.421 0.066 281 HE2 LYS 35 HE2 LYS 35 -25.611 -3.450 1.304 282 HE3 LYS 35 HE1 LYS 35 -26.892 -3.746 0.128 283 HZ1 LYS 35 HZ1 LYS 35 -25.159 -4.649 -1.373 284 HZ2 LYS 35 HZ2 LYS 35 -25.357 -5.548 0.046 285 HZ3 LYS 35 HZ3 LYS 35 -24.034 -4.507 -0.117 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -26.857 -1.685 3.627 2 H2 MET 1 HT2 MET 1 -27.981 -0.432 3.462 3 H3 MET 1 HT3 MET 1 -27.194 -0.671 4.939 4 HA MET 1 HA MET 1 -26.264 1.212 3.772 5 HB2 MET 1 HB2 MET 1 -23.913 0.518 3.845 6 HB3 MET 1 HB1 MET 1 -24.806 -0.113 5.221 7 HG2 MET 1 HG2 MET 1 -25.001 -2.280 4.048 8 HG3 MET 1 HG1 MET 1 -23.999 -1.629 2.751 9 HE1 MET 1 HE1 MET 1 -24.126 -2.677 6.540 10 HE2 MET 1 HE2 MET 1 -23.664 -0.977 6.616 11 HE3 MET 1 HE3 MET 1 -22.509 -2.226 7.081 12 H THR 2 HN THR 2 -24.473 1.646 2.051 13 HA THR 2 HA THR 2 -25.485 0.567 -0.490 14 HB THR 2 HB THR 2 -23.785 2.779 -0.977 15 HG1 THR 2 HG1 THR 2 -25.768 3.354 0.991 16 HG21 THR 2 HG21 THR 2 -26.800 2.571 -1.020 17 HG22 THR 2 HG22 THR 2 -25.714 2.106 -2.330 18 HG23 THR 2 HG23 THR 2 -25.837 3.797 -1.845 19 H PHE 3 HN PHE 3 -24.212 -0.552 -1.815 20 HA PHE 3 HA PHE 3 -21.716 -1.524 -0.948 21 HB2 PHE 3 HB2 PHE 3 -23.435 -2.511 -2.653 22 HB3 PHE 3 HB1 PHE 3 -22.521 -1.578 -3.836 23 HD1 PHE 3 HD1 PHE 3 -21.930 -3.929 -1.017 24 HD2 PHE 3 HD2 PHE 3 -20.771 -2.625 -4.895 25 HE1 PHE 3 HE1 PHE 3 -20.256 -5.728 -1.115 26 HE2 PHE 3 HE2 PHE 3 -19.094 -4.423 -5.005 27 HZ PHE 3 HZ PHE 3 -18.835 -5.979 -3.112 28 H ALA 4 HN ALA 4 -22.632 1.133 -3.043 29 HA ALA 4 HA ALA 4 -20.055 1.627 -4.124 30 HB1 ALA 4 HB1 ALA 4 -22.382 3.518 -3.785 31 HB2 ALA 4 HB2 ALA 4 -22.082 2.481 -5.181 32 HB3 ALA 4 HB3 ALA 4 -20.966 3.793 -4.801 33 H GLU 5 HN GLU 5 -21.797 2.861 -1.306 34 HA GLU 5 HA GLU 5 -19.850 4.774 -0.556 35 HB2 GLU 5 HB2 GLU 5 -21.974 3.364 1.067 36 HB3 GLU 5 HB1 GLU 5 -20.987 4.686 1.677 37 HG2 GLU 5 HG2 GLU 5 -22.867 4.837 -0.670 38 HG3 GLU 5 HG1 GLU 5 -23.188 5.447 0.953 39 H LEU 6 HN LEU 6 -20.356 1.379 0.273 40 HA LEU 6 HA LEU 6 -18.139 1.344 2.123 41 HB2 LEU 6 HB2 LEU 6 -20.227 -0.101 2.288 42 HB3 LEU 6 HB1 LEU 6 -19.570 -1.034 0.954 43 HG LEU 6 HG LEU 6 -17.735 -0.683 3.229 44 HD11 LEU 6 HD11 LEU 6 -18.852 -2.402 4.578 45 HD12 LEU 6 HD12 LEU 6 -20.238 -2.341 3.490 46 HD13 LEU 6 HD13 LEU 6 -19.813 -0.928 4.455 47 HD21 LEU 6 HD21 LEU 6 -17.300 -3.037 2.773 48 HD22 LEU 6 HD22 LEU 6 -17.228 -2.089 1.288 49 HD23 LEU 6 HD23 LEU 6 -18.646 -3.077 1.635 50 H GLY 7 HN GLY 7 -18.527 1.143 -1.223 51 HA2 GLY 7 HA2 GLY 7 -16.483 -0.717 -1.869 52 HA3 GLY 7 HA1 GLY 7 -17.145 0.501 -2.946 53 H MET 8 HN MET 8 -16.480 2.820 -1.588 54 HA MET 8 HA MET 8 -13.732 3.070 -2.313 55 HB2 MET 8 HB2 MET 8 -15.617 4.998 -0.946 56 HB3 MET 8 HB1 MET 8 -14.001 5.414 -1.500 57 HG2 MET 8 HG2 MET 8 -16.226 4.425 -3.268 58 HG3 MET 8 HG1 MET 8 -15.775 6.116 -3.056 59 HE1 MET 8 HE1 MET 8 -15.512 6.416 -5.642 60 HE2 MET 8 HE2 MET 8 -15.929 4.729 -5.946 61 HE3 MET 8 HE3 MET 8 -14.474 5.421 -6.664 62 H ALA 9 HN ALA 9 -15.486 3.003 0.761 63 HA ALA 9 HA ALA 9 -13.265 3.562 2.413 64 HB1 ALA 9 HB1 ALA 9 -15.871 2.158 2.972 65 HB2 ALA 9 HB2 ALA 9 -15.450 3.837 3.318 66 HB3 ALA 9 HB3 ALA 9 -14.677 2.530 4.216 67 H PHE 10 HN PHE 10 -14.706 0.534 1.287 68 HA PHE 10 HA PHE 10 -12.959 -1.167 2.738 69 HB2 PHE 10 HB2 PHE 10 -15.015 -2.113 2.068 70 HB3 PHE 10 HB1 PHE 10 -14.813 -1.584 0.403 71 HD1 PHE 10 HD1 PHE 10 -14.727 -3.395 -0.971 72 HD2 PHE 10 HD2 PHE 10 -12.628 -3.533 2.727 73 HE1 PHE 10 HE1 PHE 10 -13.817 -5.601 -1.575 74 HE2 PHE 10 HE2 PHE 10 -11.716 -5.740 2.133 75 HZ PHE 10 HZ PHE 10 -12.310 -6.778 -0.021 76 H TRP 11 HN TRP 11 -12.949 0.003 -0.628 77 HA TRP 11 HA TRP 11 -10.675 -1.450 -1.433 78 HB2 TRP 11 HB2 TRP 11 -12.238 0.806 -2.510 79 HB3 TRP 11 HB1 TRP 11 -10.563 0.731 -3.045 80 HD1 TRP 11 HD1 TRP 11 -13.869 -0.529 -3.960 81 HE1 TRP 11 HE1 TRP 11 -13.687 -2.502 -5.602 82 HE3 TRP 11 HE3 TRP 11 -8.897 -1.593 -3.403 83 HZ2 TRP 11 HZ2 TRP 11 -11.698 -4.275 -6.538 84 HZ3 TRP 11 HZ3 TRP 11 -7.934 -3.443 -4.709 85 HH2 TRP 11 HH2 TRP 11 -9.308 -4.756 -6.242 86 H HIS 12 HN HIS 12 -11.014 1.802 -0.083 87 HA HIS 12 HA HIS 12 -8.270 2.477 -0.284 88 HB2 HIS 12 HB2 HIS 12 -10.529 3.559 1.395 89 HB3 HIS 12 HB1 HIS 12 -8.895 4.210 1.489 90 HD1 HIS 12 HD1 HIS 12 -10.475 3.189 -1.783 91 HD2 HIS 12 HD2 HIS 12 -9.508 6.625 0.342 92 HE1 HIS 12 HE1 HIS 12 -10.803 5.125 -3.377 93 H ASP 13 HN ASP 13 -10.228 1.029 2.270 94 HA ASP 13 HA ASP 13 -8.245 1.061 4.275 95 HB2 ASP 13 HB2 ASP 13 -10.623 0.759 4.782 96 HB3 ASP 13 HB1 ASP 13 -10.615 -0.789 3.943 97 H LEU 14 HN LEU 14 -9.164 -1.396 1.881 98 HA LEU 14 HA LEU 14 -7.257 -3.305 2.819 99 HB2 LEU 14 HB2 LEU 14 -7.929 -4.687 1.068 100 HB3 LEU 14 HB1 LEU 14 -9.374 -3.806 1.512 101 HG LEU 14 HG LEU 14 -8.572 -2.219 -0.463 102 HD11 LEU 14 HD11 LEU 14 -7.469 -3.340 -2.217 103 HD12 LEU 14 HD12 LEU 14 -7.614 -4.902 -1.411 104 HD13 LEU 14 HD13 LEU 14 -6.522 -3.677 -0.767 105 HD21 LEU 14 HD21 LEU 14 -9.987 -4.856 -0.838 106 HD22 LEU 14 HD22 LEU 14 -10.063 -3.481 -1.939 107 HD23 LEU 14 HD23 LEU 14 -10.729 -3.345 -0.312 108 H ALA 15 HN ALA 15 -7.229 -0.702 0.527 109 HA ALA 15 HA ALA 15 -4.865 -1.465 -0.855 110 HB1 ALA 15 HB1 ALA 15 -6.047 1.293 -0.594 111 HB2 ALA 15 HB2 ALA 15 -6.555 0.086 -1.774 112 HB3 ALA 15 HB3 ALA 15 -4.915 0.733 -1.826 113 H ALA 16 HN ALA 16 -5.485 0.448 2.032 114 HA ALA 16 HA ALA 16 -3.132 1.827 2.318 115 HB1 ALA 16 HB1 ALA 16 -3.577 1.976 4.637 116 HB2 ALA 16 HB2 ALA 16 -4.504 0.478 4.630 117 HB3 ALA 16 HB3 ALA 16 -5.142 1.912 3.827 118 HA PRO 17 HA PRO 17 -0.929 -1.931 4.385 119 HB2 PRO 17 HB2 PRO 17 -2.062 -4.387 4.178 120 HB3 PRO 17 HB1 PRO 17 -2.439 -3.276 5.509 121 HG2 PRO 17 HG2 PRO 17 -3.997 -3.841 3.034 122 HG3 PRO 17 HG1 PRO 17 -4.561 -3.638 4.704 123 HD2 PRO 17 HD2 PRO 17 -4.723 -1.665 2.856 124 HD3 PRO 17 HD1 PRO 17 -4.515 -1.352 4.588 125 H VAL 18 HN VAL 18 -2.712 -2.428 1.410 126 HA VAL 18 HA VAL 18 -0.923 -4.294 0.226 127 HB VAL 18 HB VAL 18 -2.964 -2.431 -0.996 128 HG11 VAL 18 HG11 VAL 18 -1.368 -4.618 -2.329 129 HG12 VAL 18 HG12 VAL 18 -1.266 -2.889 -2.665 130 HG13 VAL 18 HG13 VAL 18 -2.742 -3.775 -3.047 131 HG21 VAL 18 HG21 VAL 18 -3.055 -5.425 -0.691 132 HG22 VAL 18 HG22 VAL 18 -4.370 -4.341 -1.150 133 HG23 VAL 18 HG23 VAL 18 -3.731 -4.308 0.493 134 H ILE 19 HN ILE 19 -1.309 -0.786 -0.054 135 HA ILE 19 HA ILE 19 0.836 -0.416 -1.877 136 HB ILE 19 HB ILE 19 -0.445 1.592 -0.018 137 HG12 ILE 19 HG12 ILE 19 -1.051 1.259 -2.945 138 HG13 ILE 19 HG11 ILE 19 -1.897 0.297 -1.737 139 HG21 ILE 19 HG21 ILE 19 0.385 3.251 -1.658 140 HG22 ILE 19 HG22 ILE 19 1.255 1.958 -2.482 141 HG23 ILE 19 HG23 ILE 19 1.680 2.392 -0.827 142 HD11 ILE 19 HD11 ILE 19 -2.734 2.303 -0.684 143 HD12 ILE 19 HD12 ILE 19 -3.151 2.289 -2.398 144 HD13 ILE 19 HD13 ILE 19 -1.828 3.303 -1.820 145 H ALA 20 HN ALA 20 0.515 -0.108 1.638 146 HA ALA 20 HA ALA 20 3.055 0.932 2.185 147 HB1 ALA 20 HB1 ALA 20 1.423 -0.902 3.937 148 HB2 ALA 20 HB2 ALA 20 1.198 0.843 3.808 149 HB3 ALA 20 HB3 ALA 20 2.703 0.194 4.459 150 H GLY 21 HN GLY 21 1.961 -2.370 1.663 151 HA2 GLY 21 HA2 GLY 21 4.311 -3.676 2.546 152 HA3 GLY 21 HA1 GLY 21 3.111 -4.347 1.450 153 H ILE 22 HN ILE 22 3.275 -2.593 -0.671 154 HA ILE 22 HA ILE 22 5.565 -3.560 -2.035 155 HB ILE 22 HB ILE 22 3.781 -1.275 -2.879 156 HG12 ILE 22 HG12 ILE 22 3.461 -4.196 -3.586 157 HG13 ILE 22 HG11 ILE 22 2.573 -3.423 -2.277 158 HG21 ILE 22 HG21 ILE 22 5.471 -3.178 -4.498 159 HG22 ILE 22 HG22 ILE 22 5.874 -1.499 -4.138 160 HG23 ILE 22 HG23 ILE 22 4.468 -1.875 -5.135 161 HD11 ILE 22 HD11 ILE 22 1.219 -3.547 -4.273 162 HD12 ILE 22 HD12 ILE 22 2.451 -2.679 -5.189 163 HD13 ILE 22 HD13 ILE 22 1.584 -1.865 -3.887 164 H LEU 23 HN LEU 23 4.733 -0.478 -0.550 165 HA LEU 23 HA LEU 23 6.934 1.005 -1.495 166 HB2 LEU 23 HB2 LEU 23 5.010 2.123 -0.578 167 HB3 LEU 23 HB1 LEU 23 5.215 1.317 0.964 168 HG LEU 23 HG LEU 23 7.302 2.560 1.341 169 HD11 LEU 23 HD11 LEU 23 8.018 2.883 -0.946 170 HD12 LEU 23 HD12 LEU 23 7.866 4.444 -0.141 171 HD13 LEU 23 HD13 LEU 23 6.619 3.908 -1.268 172 HD21 LEU 23 HD21 LEU 23 6.285 4.764 1.683 173 HD22 LEU 23 HD22 LEU 23 5.211 3.461 2.191 174 HD23 LEU 23 HD23 LEU 23 4.929 4.291 0.661 175 H ALA 24 HN ALA 24 6.477 -1.102 1.272 176 HA ALA 24 HA ALA 24 8.847 -0.452 2.653 177 HB1 ALA 24 HB1 ALA 24 8.511 -2.580 3.826 178 HB2 ALA 24 HB2 ALA 24 7.280 -3.029 2.647 179 HB3 ALA 24 HB3 ALA 24 7.016 -1.651 3.714 180 H SER 25 HN SER 25 8.131 -2.741 0.078 181 HA SER 25 HA SER 25 10.590 -4.131 0.139 182 HB2 SER 25 HB2 SER 25 8.654 -3.718 -2.154 183 HB3 SER 25 HB1 SER 25 9.966 -4.897 -2.132 184 HG SER 25 HG SER 25 8.442 -5.123 0.081 185 H MET 26 HN MET 26 9.513 -1.226 -1.544 186 HA MET 26 HA MET 26 11.818 -0.965 -3.183 187 HB2 MET 26 HB2 MET 26 9.807 1.112 -2.298 188 HB3 MET 26 HB1 MET 26 11.013 1.349 -3.556 189 HG2 MET 26 HG2 MET 26 9.976 -0.596 -4.764 190 HG3 MET 26 HG1 MET 26 8.672 -0.531 -3.581 191 HE1 MET 26 HE1 MET 26 8.456 2.598 -3.064 192 HE2 MET 26 HE2 MET 26 7.034 1.581 -3.300 193 HE3 MET 26 HE3 MET 26 7.220 3.069 -4.230 194 H ILE 27 HN ILE 27 10.903 0.376 -0.034 195 HA ILE 27 HA ILE 27 13.104 2.103 0.270 196 HB ILE 27 HB ILE 27 11.471 0.710 2.398 197 HG12 ILE 27 HG12 ILE 27 11.276 3.531 1.321 198 HG13 ILE 27 HG11 ILE 27 10.231 2.208 0.820 199 HG21 ILE 27 HG21 ILE 27 12.296 2.486 3.901 200 HG22 ILE 27 HG22 ILE 27 13.373 3.042 2.620 201 HG23 ILE 27 HG23 ILE 27 13.591 1.438 3.320 202 HD11 ILE 27 HD11 ILE 27 9.120 3.598 2.450 203 HD12 ILE 27 HD12 ILE 27 10.443 3.358 3.592 204 HD13 ILE 27 HD13 ILE 27 9.423 1.997 3.125 205 H VAL 28 HN VAL 28 12.624 -1.284 1.190 206 HA VAL 28 HA VAL 28 15.115 -1.585 2.509 207 HB VAL 28 HB VAL 28 13.329 -3.666 1.238 208 HG11 VAL 28 HG11 VAL 28 15.567 -4.549 1.427 209 HG12 VAL 28 HG12 VAL 28 14.544 -5.277 2.664 210 HG13 VAL 28 HG13 VAL 28 15.679 -3.999 3.098 211 HG21 VAL 28 HG21 VAL 28 12.529 -4.071 3.482 212 HG22 VAL 28 HG22 VAL 28 12.315 -2.368 3.078 213 HG23 VAL 28 HG23 VAL 28 13.640 -2.864 4.128 214 H ASN 29 HN ASN 29 14.034 -2.463 -0.771 215 HA ASN 29 HA ASN 29 16.447 -3.530 -1.681 216 HB2 ASN 29 HB2 ASN 29 14.210 -2.143 -3.164 217 HB3 ASN 29 HB1 ASN 29 15.560 -2.931 -3.975 218 HD21 ASN 29 HD21 ASN 29 14.201 -4.409 -4.972 219 HD22 ASN 29 HD22 ASN 29 13.470 -5.715 -4.110 220 H TRP 30 HN TRP 30 15.354 -0.219 -1.414 221 HA TRP 30 HA TRP 30 17.411 0.945 -2.996 222 HB2 TRP 30 HB2 TRP 30 15.561 2.331 -2.741 223 HB3 TRP 30 HB1 TRP 30 15.398 1.972 -1.027 224 HD1 TRP 30 HD1 TRP 30 18.113 3.727 -3.209 225 HE1 TRP 30 HE1 TRP 30 18.871 5.841 -1.949 226 HE3 TRP 30 HE3 TRP 30 15.172 3.288 0.948 227 HZ2 TRP 30 HZ2 TRP 30 18.293 7.150 0.489 228 HZ3 TRP 30 HZ3 TRP 30 15.332 5.011 2.697 229 HH2 TRP 30 HH2 TRP 30 16.861 6.902 2.471 230 H LEU 31 HN LEU 31 16.973 0.615 0.520 231 HA LEU 31 HA LEU 31 19.428 1.783 1.241 232 HB2 LEU 31 HB2 LEU 31 17.468 0.006 2.621 233 HB3 LEU 31 HB1 LEU 31 19.019 0.333 3.374 234 HG LEU 31 HG LEU 31 17.115 2.499 2.499 235 HD11 LEU 31 HD11 LEU 31 17.475 1.255 5.218 236 HD12 LEU 31 HD12 LEU 31 16.038 1.154 4.202 237 HD13 LEU 31 HD13 LEU 31 16.535 2.707 4.875 238 HD21 LEU 31 HD21 LEU 31 19.502 2.534 4.340 239 HD22 LEU 31 HD22 LEU 31 18.472 3.910 3.944 240 HD23 LEU 31 HD23 LEU 31 19.462 3.161 2.692 241 H ASN 32 HN ASN 32 18.597 -1.418 0.190 242 HA ASN 32 HA ASN 32 20.860 -2.782 1.203 243 HB2 ASN 32 HB2 ASN 32 18.978 -3.404 -1.071 244 HB3 ASN 32 HB1 ASN 32 20.267 -4.492 -0.565 245 HD21 ASN 32 HD21 ASN 32 17.398 -4.900 -0.555 246 HD22 ASN 32 HD22 ASN 32 16.965 -5.258 1.078 247 H LYS 33 HN LYS 33 20.334 -0.884 -1.694 248 HA LYS 33 HA LYS 33 22.790 -1.813 -2.915 249 HB2 LYS 33 HB2 LYS 33 22.188 -0.580 -4.811 250 HB3 LYS 33 HB1 LYS 33 20.653 -1.141 -4.164 251 HG2 LYS 33 HG2 LYS 33 20.047 0.997 -4.484 252 HG3 LYS 33 HG1 LYS 33 20.840 1.241 -2.926 253 HD2 LYS 33 HD2 LYS 33 22.915 1.848 -4.084 254 HD3 LYS 33 HD1 LYS 33 22.112 1.612 -5.638 255 HE2 LYS 33 HE2 LYS 33 21.336 3.629 -3.531 256 HE3 LYS 33 HE1 LYS 33 22.209 3.979 -5.023 257 HZ1 LYS 33 HZ1 LYS 33 20.292 3.246 -6.286 258 HZ2 LYS 33 HZ2 LYS 33 19.848 4.481 -5.219 259 HZ3 LYS 33 HZ3 LYS 33 19.455 2.876 -4.862 260 H ARG 34 HN ARG 34 21.844 0.659 -0.749 261 HA ARG 34 HA ARG 34 24.368 2.097 -1.239 262 HB2 ARG 34 HB2 ARG 34 23.360 4.039 -0.193 263 HB3 ARG 34 HB1 ARG 34 22.340 3.471 -1.506 264 HG2 ARG 34 HG2 ARG 34 20.790 2.492 0.033 265 HG3 ARG 34 HG1 ARG 34 21.864 2.821 1.395 266 HD2 ARG 34 HD2 ARG 34 20.529 4.884 -0.355 267 HD3 ARG 34 HD1 ARG 34 20.049 4.450 1.286 268 HE ARG 34 HE ARG 34 22.561 5.189 1.696 269 HH11 ARG 34 HH11 ARG 34 20.084 6.692 -0.240 270 HH12 ARG 34 HH12 ARG 34 20.695 8.296 -0.005 271 HH21 ARG 34 HH21 ARG 34 23.372 7.295 2.010 272 HH22 ARG 34 HH22 ARG 34 22.564 8.639 1.274 273 H LYS 35 HN LYS 35 23.447 -0.317 0.554 274 HA LYS 35 HA LYS 35 24.030 -1.206 2.564 275 HB2 LYS 35 HB2 LYS 35 26.160 0.918 2.312 276 HB3 LYS 35 HB1 LYS 35 26.131 -0.251 3.623 277 HG2 LYS 35 HG2 LYS 35 27.635 -1.099 2.034 278 HG3 LYS 35 HG1 LYS 35 26.161 -2.050 1.849 279 HD2 LYS 35 HD2 LYS 35 25.515 -0.718 -0.077 280 HD3 LYS 35 HD1 LYS 35 26.934 0.309 0.133 281 HE2 LYS 35 HE2 LYS 35 26.954 -2.641 -0.498 282 HE3 LYS 35 HE1 LYS 35 27.282 -1.337 -1.638 283 HZ1 LYS 35 HZ1 LYS 35 28.889 -1.977 0.777 284 HZ2 LYS 35 HZ2 LYS 35 29.200 -0.708 -0.297 285 HZ3 LYS 35 HZ3 LYS 35 29.327 -2.310 -0.823 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 27.219 0.839 -5.070 2 H2 MET 1 HT2 MET 1 26.530 -0.535 -4.366 3 H3 MET 1 HT3 MET 1 27.952 0.119 -3.726 4 HA MET 1 HA MET 1 26.788 2.126 -3.095 5 HB2 MET 1 HB2 MET 1 24.315 2.153 -3.241 6 HB3 MET 1 HB1 MET 1 25.090 2.139 -4.819 7 HG2 MET 1 HG2 MET 1 24.683 -0.296 -4.950 8 HG3 MET 1 HG1 MET 1 23.808 -0.198 -3.423 9 HE1 MET 1 HE1 MET 1 22.444 1.916 -7.295 10 HE2 MET 1 HE2 MET 1 23.865 0.875 -7.208 11 HE3 MET 1 HE3 MET 1 23.851 2.421 -6.359 12 H THR 2 HN THR 2 24.982 2.118 -1.261 13 HA THR 2 HA THR 2 25.766 -0.056 0.526 14 HB THR 2 HB THR 2 24.065 1.874 1.803 15 HG1 THR 2 HG1 THR 2 26.187 3.386 1.265 16 HG21 THR 2 HG21 THR 2 26.034 2.176 3.230 17 HG22 THR 2 HG22 THR 2 27.022 1.303 2.059 18 HG23 THR 2 HG23 THR 2 25.732 0.466 2.922 19 H PHE 3 HN PHE 3 24.406 -1.526 1.361 20 HA PHE 3 HA PHE 3 21.946 -2.048 0.093 21 HB2 PHE 3 HB2 PHE 3 23.568 -3.629 1.409 22 HB3 PHE 3 HB1 PHE 3 22.595 -3.161 2.800 23 HD1 PHE 3 HD1 PHE 3 22.118 -4.303 -0.709 24 HD2 PHE 3 HD2 PHE 3 20.814 -4.504 3.334 25 HE1 PHE 3 HE1 PHE 3 20.436 -5.982 -1.341 26 HE2 PHE 3 HE2 PHE 3 19.128 -6.185 2.712 27 HZ PHE 3 HZ PHE 3 18.937 -6.928 0.371 28 H ALA 4 HN ALA 4 22.786 -0.379 3.064 29 HA ALA 4 HA ALA 4 20.156 -0.237 4.123 30 HB1 ALA 4 HB1 ALA 4 21.057 1.484 5.612 31 HB2 ALA 4 HB2 ALA 4 22.528 1.555 4.641 32 HB3 ALA 4 HB3 ALA 4 22.126 0.083 5.527 33 H GLU 5 HN GLU 5 22.086 1.899 2.072 34 HA GLU 5 HA GLU 5 20.249 4.043 2.006 35 HB2 GLU 5 HB2 GLU 5 22.371 3.210 0.018 36 HB3 GLU 5 HB1 GLU 5 21.483 4.726 -0.058 37 HG2 GLU 5 HG2 GLU 5 23.306 3.845 2.170 38 HG3 GLU 5 HG1 GLU 5 23.671 5.046 0.932 39 H LEU 6 HN LEU 6 20.510 1.051 0.224 40 HA LEU 6 HA LEU 6 18.402 1.829 -1.629 41 HB2 LEU 6 HB2 LEU 6 20.420 0.460 -2.317 42 HB3 LEU 6 HB1 LEU 6 19.744 -0.859 -1.379 43 HG LEU 6 HG LEU 6 17.912 0.309 -3.371 44 HD11 LEU 6 HD11 LEU 6 18.969 -0.885 -5.240 45 HD12 LEU 6 HD12 LEU 6 20.362 -1.232 -4.215 46 HD13 LEU 6 HD13 LEU 6 19.972 0.435 -4.639 47 HD21 LEU 6 HD21 LEU 6 18.741 -2.517 -2.711 48 HD22 LEU 6 HD22 LEU 6 17.394 -2.041 -3.745 49 HD23 LEU 6 HD23 LEU 6 17.359 -1.663 -2.024 50 H GLY 7 HN GLY 7 18.733 0.434 1.418 51 HA2 GLY 7 HA2 GLY 7 16.617 -1.445 1.390 52 HA3 GLY 7 HA1 GLY 7 17.288 -0.673 2.818 53 H MET 8 HN MET 8 16.720 1.998 2.213 54 HA MET 8 HA MET 8 13.985 2.114 3.009 55 HB2 MET 8 HB2 MET 8 15.927 4.298 2.238 56 HB3 MET 8 HB1 MET 8 14.331 4.582 2.921 57 HG2 MET 8 HG2 MET 8 16.516 3.026 4.285 58 HG3 MET 8 HG1 MET 8 16.175 4.732 4.566 59 HE1 MET 8 HE1 MET 8 14.867 3.042 7.851 60 HE2 MET 8 HE2 MET 8 15.956 4.246 7.163 61 HE3 MET 8 HE3 MET 8 16.264 2.529 6.905 62 H ALA 9 HN ALA 9 15.721 2.992 0.035 63 HA ALA 9 HA ALA 9 13.503 4.049 -1.343 64 HB1 ALA 9 HB1 ALA 9 15.942 2.711 -2.509 65 HB2 ALA 9 HB2 ALA 9 15.840 4.405 -2.031 66 HB3 ALA 9 HB3 ALA 9 14.840 3.800 -3.351 67 H PHE 10 HN PHE 10 14.864 0.790 -1.214 68 HA PHE 10 HA PHE 10 13.064 -0.347 -3.090 69 HB2 PHE 10 HB2 PHE 10 15.094 -1.503 -2.776 70 HB3 PHE 10 HB1 PHE 10 14.935 -1.488 -1.026 71 HD1 PHE 10 HD1 PHE 10 14.905 -3.653 -0.309 72 HD2 PHE 10 HD2 PHE 10 12.573 -2.584 -3.706 73 HE1 PHE 10 HE1 PHE 10 13.948 -5.920 -0.362 74 HE2 PHE 10 HE2 PHE 10 11.613 -4.848 -3.766 75 HZ PHE 10 HZ PHE 10 12.300 -6.520 -2.092 76 H TRP 11 HN TRP 11 13.124 -0.300 0.474 77 HA TRP 11 HA TRP 11 10.815 -1.861 0.832 78 HB2 TRP 11 HB2 TRP 11 12.437 -0.059 2.526 79 HB3 TRP 11 HB1 TRP 11 10.775 -0.312 3.047 80 HD1 TRP 11 HD1 TRP 11 14.110 -1.793 3.395 81 HE1 TRP 11 HE1 TRP 11 13.962 -4.179 4.349 82 HE3 TRP 11 HE3 TRP 11 9.104 -2.611 2.764 83 HZ2 TRP 11 HZ2 TRP 11 11.985 -6.147 4.777 84 HZ3 TRP 11 HZ3 TRP 11 8.162 -4.772 3.472 85 HH2 TRP 11 HH2 TRP 11 9.575 -6.503 4.457 86 H HIS 12 HN HIS 12 11.247 1.629 0.492 87 HA HIS 12 HA HIS 12 8.533 2.294 0.966 88 HB2 HIS 12 HB2 HIS 12 10.809 3.763 -0.350 89 HB3 HIS 12 HB1 HIS 12 9.195 4.457 -0.238 90 HD1 HIS 12 HD1 HIS 12 10.837 2.491 2.551 91 HD2 HIS 12 HD2 HIS 12 9.764 6.390 1.598 92 HE1 HIS 12 HE1 HIS 12 11.179 3.855 4.653 93 H ASP 13 HN ASP 13 10.381 1.607 -1.970 94 HA ASP 13 HA ASP 13 8.348 2.292 -3.800 95 HB2 ASP 13 HB2 ASP 13 10.684 2.063 -4.488 96 HB3 ASP 13 HB1 ASP 13 10.639 0.343 -4.114 97 H LEU 14 HN LEU 14 9.225 -0.788 -2.264 98 HA LEU 14 HA LEU 14 7.204 -2.268 -3.634 99 HB2 LEU 14 HB2 LEU 14 7.860 -4.127 -2.389 100 HB3 LEU 14 HB1 LEU 14 9.328 -3.211 -2.628 101 HG LEU 14 HG LEU 14 8.689 -2.235 -0.246 102 HD11 LEU 14 HD11 LEU 14 7.625 -5.032 -0.036 103 HD12 LEU 14 HD12 LEU 14 6.569 -3.647 -0.306 104 HD13 LEU 14 HD13 LEU 14 7.554 -3.733 1.156 105 HD21 LEU 14 HD21 LEU 14 10.132 -3.972 0.734 106 HD22 LEU 14 HD22 LEU 14 10.773 -3.351 -0.786 107 HD23 LEU 14 HD23 LEU 14 9.970 -4.920 -0.742 108 H ALA 15 HN ALA 15 7.364 -0.446 -0.689 109 HA ALA 15 HA ALA 15 5.015 -1.496 0.517 110 HB1 ALA 15 HB1 ALA 15 5.172 0.375 2.044 111 HB2 ALA 15 HB2 ALA 15 6.333 1.175 0.983 112 HB3 ALA 15 HB3 ALA 15 6.768 -0.334 1.787 113 H ALA 16 HN ALA 16 5.626 1.138 -1.732 114 HA ALA 16 HA ALA 16 3.339 2.629 -1.549 115 HB1 ALA 16 HB1 ALA 16 3.697 3.331 -3.803 116 HB2 ALA 16 HB2 ALA 16 4.622 1.876 -4.168 117 HB3 ALA 16 HB3 ALA 16 5.274 3.077 -3.054 118 HA PRO 17 HA PRO 17 0.877 -0.321 -4.457 119 HB2 PRO 17 HB2 PRO 17 1.873 -2.802 -4.941 120 HB3 PRO 17 HB1 PRO 17 2.272 -1.401 -5.954 121 HG2 PRO 17 HG2 PRO 17 3.865 -2.655 -3.768 122 HG3 PRO 17 HG1 PRO 17 4.393 -2.068 -5.359 123 HD2 PRO 17 HD2 PRO 17 4.733 -0.627 -3.099 124 HD3 PRO 17 HD1 PRO 17 4.459 0.122 -4.682 125 H VAL 18 HN VAL 18 2.688 -1.616 -1.763 126 HA VAL 18 HA VAL 18 0.829 -3.642 -1.021 127 HB VAL 18 HB VAL 18 2.955 -2.237 0.606 128 HG11 VAL 18 HG11 VAL 18 1.237 -3.171 2.064 129 HG12 VAL 18 HG12 VAL 18 2.740 -4.083 2.192 130 HG13 VAL 18 HG13 VAL 18 1.392 -4.733 1.259 131 HG21 VAL 18 HG21 VAL 18 3.625 -3.628 -1.418 132 HG22 VAL 18 HG22 VAL 18 3.038 -5.025 -0.516 133 HG23 VAL 18 HG23 VAL 18 4.368 -4.058 0.122 134 H ILE 19 HN ILE 19 1.398 -0.324 0.066 135 HA ILE 19 HA ILE 19 -0.656 -0.303 2.029 136 HB ILE 19 HB ILE 19 0.640 2.035 0.619 137 HG12 ILE 19 HG12 ILE 19 1.380 0.961 3.332 138 HG13 ILE 19 HG11 ILE 19 2.131 0.335 1.868 139 HG21 ILE 19 HG21 ILE 19 -0.883 1.875 3.215 140 HG22 ILE 19 HG22 ILE 19 -1.409 2.675 1.734 141 HG23 ILE 19 HG23 ILE 19 -0.022 3.297 2.628 142 HD11 ILE 19 HD11 ILE 19 2.988 2.527 1.335 143 HD12 ILE 19 HD12 ILE 19 3.479 2.060 2.964 144 HD13 ILE 19 HD13 ILE 19 2.166 3.215 2.735 145 H ALA 20 HN ALA 20 -0.437 0.844 -1.314 146 HA ALA 20 HA ALA 20 -2.971 2.041 -1.481 147 HB1 ALA 20 HB1 ALA 20 -1.433 0.727 -3.719 148 HB2 ALA 20 HB2 ALA 20 -1.122 2.353 -3.110 149 HB3 ALA 20 HB3 ALA 20 -2.670 1.976 -3.868 150 H GLY 21 HN GLY 21 -1.921 -1.290 -1.874 151 HA2 GLY 21 HA2 GLY 21 -4.288 -2.300 -3.040 152 HA3 GLY 21 HA1 GLY 21 -3.094 -3.243 -2.160 153 H ILE 22 HN ILE 22 -3.239 -2.093 0.346 154 HA ILE 22 HA ILE 22 -5.497 -3.386 1.441 155 HB ILE 22 HB ILE 22 -3.780 -1.300 2.795 156 HG12 ILE 22 HG12 ILE 22 -3.381 -4.297 2.792 157 HG13 ILE 22 HG11 ILE 22 -2.490 -3.197 1.745 158 HG21 ILE 22 HG21 ILE 22 -5.421 -3.561 3.930 159 HG22 ILE 22 HG22 ILE 22 -5.857 -1.853 3.969 160 HG23 ILE 22 HG23 ILE 22 -4.441 -2.422 4.852 161 HD11 ILE 22 HD11 ILE 22 -2.454 -3.223 4.753 162 HD12 ILE 22 HD12 ILE 22 -1.602 -2.063 3.734 163 HD13 ILE 22 HD13 ILE 22 -1.168 -3.771 3.677 164 H LEU 23 HN LEU 23 -4.773 -0.012 0.726 165 HA LEU 23 HA LEU 23 -7.009 1.142 1.977 166 HB2 LEU 23 HB2 LEU 23 -5.215 2.562 1.356 167 HB3 LEU 23 HB1 LEU 23 -5.264 2.021 -0.311 168 HG LEU 23 HG LEU 23 -7.406 3.171 -0.630 169 HD11 LEU 23 HD11 LEU 23 -7.013 4.116 2.207 170 HD12 LEU 23 HD12 LEU 23 -8.270 3.016 1.641 171 HD13 LEU 23 HD13 LEU 23 -8.253 4.691 1.092 172 HD21 LEU 23 HD21 LEU 23 -5.302 4.335 -1.103 173 HD22 LEU 23 HD22 LEU 23 -5.280 4.954 0.547 174 HD23 LEU 23 HD23 LEU 23 -6.560 5.445 -0.562 175 H ALA 24 HN ALA 24 -6.539 -0.262 -1.207 176 HA ALA 24 HA ALA 24 -8.943 0.592 -2.389 177 HB1 ALA 24 HB1 ALA 24 -7.289 -1.870 -2.935 178 HB2 ALA 24 HB2 ALA 24 -7.123 -0.295 -3.713 179 HB3 ALA 24 HB3 ALA 24 -8.576 -1.260 -3.975 180 H SER 25 HN SER 25 -8.140 -2.267 -0.470 181 HA SER 25 HA SER 25 -10.578 -3.628 -0.791 182 HB2 SER 25 HB2 SER 25 -8.587 -4.737 0.089 183 HB3 SER 25 HB1 SER 25 -8.622 -3.706 1.519 184 HG SER 25 HG SER 25 -10.411 -4.733 2.231 185 H MET 26 HN MET 26 -9.560 -1.129 1.469 186 HA MET 26 HA MET 26 -11.820 -1.316 3.176 187 HB2 MET 26 HB2 MET 26 -9.895 0.960 2.686 188 HB3 MET 26 HB1 MET 26 -11.112 0.950 3.955 189 HG2 MET 26 HG2 MET 26 -10.034 -1.157 4.812 190 HG3 MET 26 HG1 MET 26 -8.722 -0.847 3.677 191 HE1 MET 26 HE1 MET 26 -7.106 1.295 3.826 192 HE2 MET 26 HE2 MET 26 -7.362 2.605 4.977 193 HE3 MET 26 HE3 MET 26 -8.548 2.303 3.707 194 H ILE 27 HN ILE 27 -11.085 0.618 0.314 195 HA ILE 27 HA ILE 27 -13.384 2.264 0.435 196 HB ILE 27 HB ILE 27 -11.747 1.465 -1.977 197 HG12 ILE 27 HG12 ILE 27 -11.601 3.935 -0.233 198 HG13 ILE 27 HG11 ILE 27 -10.462 2.595 -0.182 199 HG21 ILE 27 HG21 ILE 27 -12.683 3.479 -3.027 200 HG22 ILE 27 HG22 ILE 27 -13.710 3.728 -1.615 201 HG23 ILE 27 HG23 ILE 27 -13.936 2.303 -2.629 202 HD11 ILE 27 HD11 ILE 27 -10.941 4.456 -2.495 203 HD12 ILE 27 HD12 ILE 27 -9.854 3.066 -2.520 204 HD13 ILE 27 HD13 ILE 27 -9.530 4.421 -1.437 205 H VAL 28 HN VAL 28 -12.707 -0.804 -1.205 206 HA VAL 28 HA VAL 28 -15.162 -1.005 -2.574 207 HB VAL 28 HB VAL 28 -13.331 -3.212 -1.615 208 HG11 VAL 28 HG11 VAL 28 -15.586 -3.276 -3.619 209 HG12 VAL 28 HG12 VAL 28 -15.543 -4.095 -2.057 210 HG13 VAL 28 HG13 VAL 28 -14.437 -4.586 -3.341 211 HG21 VAL 28 HG21 VAL 28 -12.262 -1.613 -3.137 212 HG22 VAL 28 HG22 VAL 28 -13.554 -1.869 -4.308 213 HG23 VAL 28 HG23 VAL 28 -12.466 -3.193 -3.893 214 H ASN 29 HN ASN 29 -14.110 -2.211 0.591 215 HA ASN 29 HA ASN 29 -16.444 -3.599 1.267 216 HB2 ASN 29 HB2 ASN 29 -14.344 -2.243 2.958 217 HB3 ASN 29 HB1 ASN 29 -15.678 -3.151 3.662 218 HD21 ASN 29 HD21 ASN 29 -12.821 -3.657 3.793 219 HD22 ASN 29 HD22 ASN 29 -12.579 -5.239 3.141 220 H TRP 30 HN TRP 30 -15.601 -0.206 1.494 221 HA TRP 30 HA TRP 30 -17.785 0.616 3.091 222 HB2 TRP 30 HB2 TRP 30 -16.071 2.186 2.999 223 HB3 TRP 30 HB1 TRP 30 -15.852 1.997 1.263 224 HD1 TRP 30 HD1 TRP 30 -18.730 3.301 3.545 225 HE1 TRP 30 HE1 TRP 30 -19.682 5.430 2.455 226 HE3 TRP 30 HE3 TRP 30 -15.767 3.476 -0.615 227 HZ2 TRP 30 HZ2 TRP 30 -19.235 6.977 0.137 228 HZ3 TRP 30 HZ3 TRP 30 -16.093 5.309 -2.220 229 HH2 TRP 30 HH2 TRP 30 -17.792 7.024 -1.852 230 H LEU 31 HN LEU 31 -17.275 0.599 -0.423 231 HA LEU 31 HA LEU 31 -19.787 1.651 -1.113 232 HB2 LEU 31 HB2 LEU 31 -17.734 0.045 -2.580 233 HB3 LEU 31 HB1 LEU 31 -19.277 0.407 -3.331 234 HG LEU 31 HG LEU 31 -17.525 2.576 -2.213 235 HD11 LEU 31 HD11 LEU 31 -16.189 1.341 -3.820 236 HD12 LEU 31 HD12 LEU 31 -16.665 2.905 -4.482 237 HD13 LEU 31 HD13 LEU 31 -17.494 1.438 -5.002 238 HD21 LEU 31 HD21 LEU 31 -18.783 3.977 -3.745 239 HD22 LEU 31 HD22 LEU 31 -19.878 3.105 -2.672 240 HD23 LEU 31 HD23 LEU 31 -19.664 2.569 -4.338 241 H ASN 32 HN ASN 32 -18.769 -1.551 -0.238 242 HA ASN 32 HA ASN 32 -20.916 -2.995 -1.371 243 HB2 ASN 32 HB2 ASN 32 -19.077 -3.631 0.935 244 HB3 ASN 32 HB1 ASN 32 -20.256 -4.769 0.289 245 HD21 ASN 32 HD21 ASN 32 -17.337 -4.916 0.391 246 HD22 ASN 32 HD22 ASN 32 -16.816 -5.131 -1.242 247 H LYS 33 HN LYS 33 -20.554 -1.311 1.705 248 HA LYS 33 HA LYS 33 -22.971 -2.433 2.801 249 HB2 LYS 33 HB2 LYS 33 -22.571 -1.083 4.719 250 HB3 LYS 33 HB1 LYS 33 -21.008 -1.684 4.186 251 HG2 LYS 33 HG2 LYS 33 -20.283 0.407 4.258 252 HG3 LYS 33 HG1 LYS 33 -21.316 0.742 2.867 253 HD2 LYS 33 HD2 LYS 33 -23.145 1.354 4.353 254 HD3 LYS 33 HD1 LYS 33 -22.146 0.976 5.758 255 HE2 LYS 33 HE2 LYS 33 -20.568 2.731 5.098 256 HE3 LYS 33 HE1 LYS 33 -21.576 3.111 3.703 257 HZ1 LYS 33 HZ1 LYS 33 -23.363 3.728 5.201 258 HZ2 LYS 33 HZ2 LYS 33 -21.975 4.634 5.538 259 HZ3 LYS 33 HZ3 LYS 33 -22.408 3.346 6.545 260 H ARG 34 HN ARG 34 -22.178 0.241 0.791 261 HA ARG 34 HA ARG 34 -24.812 1.452 1.273 262 HB2 ARG 34 HB2 ARG 34 -23.943 3.442 0.146 263 HB3 ARG 34 HB1 ARG 34 -22.919 2.984 1.499 264 HG2 ARG 34 HG2 ARG 34 -21.289 2.029 0.008 265 HG3 ARG 34 HG1 ARG 34 -22.340 2.319 -1.380 266 HD2 ARG 34 HD2 ARG 34 -21.126 4.428 0.403 267 HD3 ARG 34 HD1 ARG 34 -20.588 4.013 -1.223 268 HE ARG 34 HE ARG 34 -23.349 4.893 -0.909 269 HH11 ARG 34 HH11 ARG 34 -20.081 5.632 -1.871 270 HH12 ARG 34 HH12 ARG 34 -20.533 7.021 -2.802 271 HH21 ARG 34 HH21 ARG 34 -23.950 6.723 -2.132 272 HH22 ARG 34 HH22 ARG 34 -22.729 7.643 -2.947 273 H LYS 35 HN LYS 35 -23.402 -0.735 -0.711 274 HA LYS 35 HA LYS 35 -23.869 -1.618 -2.753 275 HB2 LYS 35 HB2 LYS 35 -26.486 -0.293 -2.075 276 HB3 LYS 35 HB1 LYS 35 -26.273 -1.214 -3.556 277 HG2 LYS 35 HG2 LYS 35 -27.266 -2.667 -1.982 278 HG3 LYS 35 HG1 LYS 35 -25.578 -3.159 -2.128 279 HD2 LYS 35 HD2 LYS 35 -25.039 -1.951 -0.076 280 HD3 LYS 35 HD1 LYS 35 -26.717 -1.422 0.062 281 HE2 LYS 35 HE2 LYS 35 -27.434 -3.752 0.262 282 HE3 LYS 35 HE1 LYS 35 -25.759 -4.283 0.118 283 HZ1 LYS 35 HZ1 LYS 35 -25.250 -3.075 2.156 284 HZ2 LYS 35 HZ2 LYS 35 -26.454 -4.233 2.421 285 HZ3 LYS 35 HZ3 LYS 35 -26.867 -2.597 2.299 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -26.153 2.429 -3.353 2 H2 MET 1 HT2 MET 1 -27.535 1.520 -3.001 3 H3 MET 1 HT3 MET 1 -26.843 1.442 -4.542 4 HA MET 1 HA MET 1 -26.325 -0.525 -3.248 5 HB2 MET 1 HB2 MET 1 -24.735 0.401 -4.949 6 HB3 MET 1 HB1 MET 1 -23.897 1.232 -3.647 7 HG2 MET 1 HG2 MET 1 -23.388 -0.921 -2.605 8 HG3 MET 1 HG1 MET 1 -24.216 -1.748 -3.924 9 HE1 MET 1 HE1 MET 1 -23.392 -0.055 -6.444 10 HE2 MET 1 HE2 MET 1 -23.330 -1.817 -6.425 11 HE3 MET 1 HE3 MET 1 -21.937 -0.892 -6.985 12 H THR 2 HN THR 2 -25.055 -1.444 -1.506 13 HA THR 2 HA THR 2 -25.479 -0.041 0.957 14 HB THR 2 HB THR 2 -23.869 -2.287 1.476 15 HG1 THR 2 HG1 THR 2 -25.893 -3.363 -0.039 16 HG21 THR 2 HG21 THR 2 -25.777 -1.514 2.806 17 HG22 THR 2 HG22 THR 2 -25.929 -3.222 2.396 18 HG23 THR 2 HG23 THR 2 -26.876 -2.017 1.522 19 H PHE 3 HN PHE 3 -24.076 1.071 2.157 20 HA PHE 3 HA PHE 3 -21.599 1.904 1.108 21 HB2 PHE 3 HB2 PHE 3 -23.169 3.003 2.896 22 HB3 PHE 3 HB1 PHE 3 -22.208 2.070 4.040 23 HD1 PHE 3 HD1 PHE 3 -21.733 4.330 1.124 24 HD2 PHE 3 HD2 PHE 3 -20.356 3.079 4.948 25 HE1 PHE 3 HE1 PHE 3 -20.003 6.077 1.066 26 HE2 PHE 3 HE2 PHE 3 -18.621 4.825 4.901 27 HZ PHE 3 HZ PHE 3 -18.444 6.328 2.957 28 H ALA 4 HN ALA 4 -22.503 -0.642 3.341 29 HA ALA 4 HA ALA 4 -19.886 -1.223 4.276 30 HB1 ALA 4 HB1 ALA 4 -21.897 -1.928 5.483 31 HB2 ALA 4 HB2 ALA 4 -20.848 -3.298 5.118 32 HB3 ALA 4 HB3 ALA 4 -22.306 -3.023 4.163 33 H GLU 5 HN GLU 5 -21.855 -2.446 1.609 34 HA GLU 5 HA GLU 5 -20.059 -4.497 0.833 35 HB2 GLU 5 HB2 GLU 5 -22.252 -3.059 -0.660 36 HB3 GLU 5 HB1 GLU 5 -21.330 -4.386 -1.354 37 HG2 GLU 5 HG2 GLU 5 -23.031 -4.526 1.126 38 HG3 GLU 5 HG1 GLU 5 -23.466 -5.143 -0.467 39 H LEU 6 HN LEU 6 -20.413 -1.105 -0.031 40 HA LEU 6 HA LEU 6 -18.317 -1.255 -2.029 41 HB2 LEU 6 HB2 LEU 6 -20.371 0.269 -2.133 42 HB3 LEU 6 HB1 LEU 6 -19.569 1.246 -0.916 43 HG LEU 6 HG LEU 6 -17.937 0.660 -3.297 44 HD11 LEU 6 HD11 LEU 6 -20.338 2.476 -3.478 45 HD12 LEU 6 HD12 LEU 6 -20.127 0.953 -4.341 46 HD13 LEU 6 HD13 LEU 6 -19.063 2.316 -4.686 47 HD21 LEU 6 HD21 LEU 6 -18.598 3.223 -1.851 48 HD22 LEU 6 HD22 LEU 6 -17.295 2.968 -3.013 49 HD23 LEU 6 HD23 LEU 6 -17.253 2.156 -1.448 50 H GLY 7 HN GLY 7 -18.538 -0.903 1.311 51 HA2 GLY 7 HA2 GLY 7 -16.418 0.913 1.802 52 HA3 GLY 7 HA1 GLY 7 -17.067 -0.247 2.948 53 H MET 8 HN MET 8 -16.488 -2.651 1.899 54 HA MET 8 HA MET 8 -13.737 -2.921 2.467 55 HB2 MET 8 HB2 MET 8 -15.661 -4.875 1.194 56 HB3 MET 8 HB1 MET 8 -14.052 -5.286 1.771 57 HG2 MET 8 HG2 MET 8 -16.279 -4.204 3.482 58 HG3 MET 8 HG1 MET 8 -15.824 -5.903 3.355 59 HE1 MET 8 HE1 MET 8 -14.573 -4.929 6.943 60 HE2 MET 8 HE2 MET 8 -15.517 -6.084 6.003 61 HE3 MET 8 HE3 MET 8 -16.045 -4.405 6.124 62 H ALA 9 HN ALA 9 -15.535 -3.069 -0.594 63 HA ALA 9 HA ALA 9 -13.354 -3.715 -2.240 64 HB1 ALA 9 HB1 ALA 9 -14.746 -2.888 -4.089 65 HB2 ALA 9 HB2 ALA 9 -15.869 -2.195 -2.918 66 HB3 ALA 9 HB3 ALA 9 -15.645 -3.942 -2.998 67 H PHE 10 HN PHE 10 -14.719 -0.571 -1.326 68 HA PHE 10 HA PHE 10 -12.923 0.965 -2.900 69 HB2 PHE 10 HB2 PHE 10 -14.944 2.024 -2.327 70 HB3 PHE 10 HB1 PHE 10 -14.785 1.607 -0.627 71 HD1 PHE 10 HD1 PHE 10 -14.548 3.447 0.682 72 HD2 PHE 10 HD2 PHE 10 -12.607 3.372 -3.105 73 HE1 PHE 10 HE1 PHE 10 -13.565 5.656 1.146 74 HE2 PHE 10 HE2 PHE 10 -11.625 5.579 -2.651 75 HZ PHE 10 HZ PHE 10 -12.102 6.726 -0.523 76 H TRP 11 HN TRP 11 -12.931 0.014 0.524 77 HA TRP 11 HA TRP 11 -10.646 1.500 1.247 78 HB2 TRP 11 HB2 TRP 11 -12.206 -0.714 2.459 79 HB3 TRP 11 HB1 TRP 11 -10.566 -0.479 3.052 80 HD1 TRP 11 HD1 TRP 11 -13.993 0.676 3.656 81 HE1 TRP 11 HE1 TRP 11 -14.011 2.793 5.118 82 HE3 TRP 11 HE3 TRP 11 -9.047 1.938 3.322 83 HZ2 TRP 11 HZ2 TRP 11 -12.175 4.741 6.011 84 HZ3 TRP 11 HZ3 TRP 11 -8.261 3.943 4.513 85 HH2 TRP 11 HH2 TRP 11 -9.794 5.316 5.827 86 H HIS 12 HN HIS 12 -11.048 -1.825 0.125 87 HA HIS 12 HA HIS 12 -8.319 -2.547 0.390 88 HB2 HIS 12 HB2 HIS 12 -10.589 -3.708 -1.224 89 HB3 HIS 12 HB1 HIS 12 -8.973 -4.409 -1.217 90 HD1 HIS 12 HD1 HIS 12 -10.607 -3.058 1.910 91 HD2 HIS 12 HD2 HIS 12 -9.673 -6.694 0.130 92 HE1 HIS 12 HE1 HIS 12 -11.033 -4.835 3.659 93 H ASP 13 HN ASP 13 -10.240 -1.235 -2.267 94 HA ASP 13 HA ASP 13 -8.235 -1.451 -4.247 95 HB2 ASP 13 HB2 ASP 13 -10.586 -1.161 -4.835 96 HB3 ASP 13 HB1 ASP 13 -10.598 0.430 -4.079 97 H LEU 14 HN LEU 14 -9.156 1.181 -2.047 98 HA LEU 14 HA LEU 14 -7.218 2.995 -3.099 99 HB2 LEU 14 HB2 LEU 14 -7.871 4.501 -1.435 100 HB3 LEU 14 HB1 LEU 14 -9.327 3.629 -1.854 101 HG LEU 14 HG LEU 14 -8.627 2.145 0.223 102 HD11 LEU 14 HD11 LEU 14 -7.568 4.821 1.070 103 HD12 LEU 14 HD12 LEU 14 -6.512 3.557 0.444 104 HD13 LEU 14 HD13 LEU 14 -7.455 3.272 1.908 105 HD21 LEU 14 HD21 LEU 14 -10.724 3.347 0.000 106 HD22 LEU 14 HD22 LEU 14 -9.920 4.864 0.404 107 HD23 LEU 14 HD23 LEU 14 -10.053 3.588 1.613 108 H ALA 15 HN ALA 15 -7.245 0.557 -0.633 109 HA ALA 15 HA ALA 15 -4.884 1.370 0.719 110 HB1 ALA 15 HB1 ALA 15 -6.109 -1.381 0.590 111 HB2 ALA 15 HB2 ALA 15 -6.579 -0.112 1.721 112 HB3 ALA 15 HB3 ALA 15 -4.953 -0.795 1.787 113 H ALA 16 HN ALA 16 -5.516 -0.686 -2.058 114 HA ALA 16 HA ALA 16 -3.191 -2.116 -2.277 115 HB1 ALA 16 HB1 ALA 16 -5.072 -2.405 -3.788 116 HB2 ALA 16 HB2 ALA 16 -3.574 -2.175 -4.690 117 HB3 ALA 16 HB3 ALA 16 -4.725 -0.849 -4.541 118 HA PRO 17 HA PRO 17 -0.902 1.485 -4.520 119 HB2 PRO 17 HB2 PRO 17 -1.985 3.976 -4.433 120 HB3 PRO 17 HB1 PRO 17 -2.364 2.815 -5.719 121 HG2 PRO 17 HG2 PRO 17 -3.944 3.517 -3.295 122 HG3 PRO 17 HG1 PRO 17 -4.490 3.249 -4.963 123 HD2 PRO 17 HD2 PRO 17 -4.720 1.365 -3.036 124 HD3 PRO 17 HD1 PRO 17 -4.480 0.969 -4.747 125 H VAL 18 HN VAL 18 -2.665 2.112 -1.566 126 HA VAL 18 HA VAL 18 -0.865 4.014 -0.457 127 HB VAL 18 HB VAL 18 -2.868 2.176 0.866 128 HG11 VAL 18 HG11 VAL 18 -2.649 3.619 2.844 129 HG12 VAL 18 HG12 VAL 18 -1.314 4.467 2.064 130 HG13 VAL 18 HG13 VAL 18 -1.153 2.760 2.478 131 HG21 VAL 18 HG21 VAL 18 -4.350 4.000 0.881 132 HG22 VAL 18 HG22 VAL 18 -3.638 4.011 -0.733 133 HG23 VAL 18 HG23 VAL 18 -3.072 5.149 0.488 134 H ILE 19 HN ILE 19 -1.275 0.523 -0.002 135 HA ILE 19 HA ILE 19 0.922 0.221 1.772 136 HB ILE 19 HB ILE 19 -0.395 -1.892 0.061 137 HG12 ILE 19 HG12 ILE 19 -1.054 -1.307 2.938 138 HG13 ILE 19 HG11 ILE 19 -1.870 -0.450 1.634 139 HG21 ILE 19 HG21 ILE 19 0.390 -3.431 1.814 140 HG22 ILE 19 HG22 ILE 19 1.219 -2.088 2.602 141 HG23 ILE 19 HG23 ILE 19 1.723 -2.615 0.996 142 HD11 ILE 19 HD11 ILE 19 -2.710 -2.532 0.750 143 HD12 ILE 19 HD12 ILE 19 -3.147 -2.372 2.452 144 HD13 ILE 19 HD13 ILE 19 -1.824 -3.438 1.978 145 H ALA 20 HN ALA 20 0.497 -0.105 -1.712 146 HA ALA 20 HA ALA 20 3.027 -1.245 -2.265 147 HB1 ALA 20 HB1 ALA 20 2.593 -0.622 -4.585 148 HB2 ALA 20 HB2 ALA 20 1.255 0.404 -4.068 149 HB3 ALA 20 HB3 ALA 20 1.162 -1.343 -3.847 150 H GLY 21 HN GLY 21 1.876 2.079 -2.025 151 HA2 GLY 21 HA2 GLY 21 4.196 3.333 -3.045 152 HA3 GLY 21 HA1 GLY 21 2.996 4.085 -2.003 153 H ILE 22 HN ILE 22 3.202 2.556 0.269 154 HA ILE 22 HA ILE 22 5.500 3.666 1.505 155 HB ILE 22 HB ILE 22 3.620 1.536 2.539 156 HG12 ILE 22 HG12 ILE 22 3.624 4.516 3.062 157 HG13 ILE 22 HG11 ILE 22 2.561 3.720 1.907 158 HG21 ILE 22 HG21 ILE 22 5.605 3.284 3.989 159 HG22 ILE 22 HG22 ILE 22 5.703 1.536 3.774 160 HG23 ILE 22 HG23 ILE 22 4.420 2.231 4.764 161 HD11 ILE 22 HD11 ILE 22 1.450 4.189 4.033 162 HD12 ILE 22 HD12 ILE 22 2.629 3.176 4.866 163 HD13 ILE 22 HD13 ILE 22 1.523 2.460 3.693 164 H LEU 23 HN LEU 23 4.691 0.474 0.276 165 HA LEU 23 HA LEU 23 6.877 -0.930 1.371 166 HB2 LEU 23 HB2 LEU 23 4.991 -2.140 0.521 167 HB3 LEU 23 HB1 LEU 23 5.178 -1.426 -1.069 168 HG LEU 23 HG LEU 23 7.310 -2.654 -1.348 169 HD11 LEU 23 HD11 LEU 23 7.862 -4.458 0.210 170 HD12 LEU 23 HD12 LEU 23 6.550 -3.941 1.270 171 HD13 LEU 23 HD13 LEU 23 7.931 -2.878 0.993 172 HD21 LEU 23 HD21 LEU 23 5.212 -3.575 -2.201 173 HD22 LEU 23 HD22 LEU 23 4.943 -4.390 -0.660 174 HD23 LEU 23 HD23 LEU 23 6.309 -4.851 -1.674 175 H ALA 24 HN ALA 24 6.446 0.845 -1.645 176 HA ALA 24 HA ALA 24 8.828 0.105 -2.911 177 HB1 ALA 24 HB1 ALA 24 8.530 2.108 -4.271 178 HB2 ALA 24 HB2 ALA 24 7.333 2.716 -3.127 179 HB3 ALA 24 HB3 ALA 24 7.002 1.255 -4.057 180 H SER 25 HN SER 25 8.130 2.776 -0.688 181 HA SER 25 HA SER 25 10.643 4.019 -0.814 182 HB2 SER 25 HB2 SER 25 8.718 5.152 0.146 183 HB3 SER 25 HB1 SER 25 8.626 3.959 1.441 184 HG SER 25 HG SER 25 10.061 5.068 2.480 185 H MET 26 HN MET 26 9.434 1.392 1.214 186 HA MET 26 HA MET 26 11.679 1.279 2.940 187 HB2 MET 26 HB2 MET 26 9.654 -0.851 2.232 188 HB3 MET 26 HB1 MET 26 10.822 -0.976 3.540 189 HG2 MET 26 HG2 MET 26 9.801 1.113 4.500 190 HG3 MET 26 HG1 MET 26 8.522 0.940 3.300 191 HE1 MET 26 HE1 MET 26 8.157 -2.176 3.103 192 HE2 MET 26 HE2 MET 26 6.786 -1.077 3.256 193 HE3 MET 26 HE3 MET 26 6.913 -2.482 4.315 194 H ILE 27 HN ILE 27 10.853 -0.425 -0.050 195 HA ILE 27 HA ILE 27 13.053 -2.190 -0.041 196 HB ILE 27 HB ILE 27 11.468 -1.130 -2.385 197 HG12 ILE 27 HG12 ILE 27 11.229 -3.745 -0.878 198 HG13 ILE 27 HG11 ILE 27 10.165 -2.361 -0.651 199 HG21 ILE 27 HG21 ILE 27 13.612 -1.992 -3.123 200 HG22 ILE 27 HG22 ILE 27 12.321 -3.098 -3.592 201 HG23 ILE 27 HG23 ILE 27 13.352 -3.480 -2.213 202 HD11 ILE 27 HD11 ILE 27 10.494 -3.955 -3.181 203 HD12 ILE 27 HD12 ILE 27 9.448 -2.549 -2.985 204 HD13 ILE 27 HD13 ILE 27 9.127 -4.021 -2.068 205 H VAL 28 HN VAL 28 12.601 1.044 -1.414 206 HA VAL 28 HA VAL 28 15.100 1.142 -2.750 207 HB VAL 28 HB VAL 28 13.353 3.407 -1.773 208 HG11 VAL 28 HG11 VAL 28 14.578 4.787 -3.403 209 HG12 VAL 28 HG12 VAL 28 15.662 3.431 -3.715 210 HG13 VAL 28 HG13 VAL 28 15.626 4.182 -2.120 211 HG21 VAL 28 HG21 VAL 28 12.293 1.872 -3.400 212 HG22 VAL 28 HG22 VAL 28 13.606 2.205 -4.528 213 HG23 VAL 28 HG23 VAL 28 12.517 3.501 -4.035 214 H ASN 29 HN ASN 29 14.033 2.154 0.467 215 HA ASN 29 HA ASN 29 16.398 3.463 1.245 216 HB2 ASN 29 HB2 ASN 29 14.240 2.090 2.851 217 HB3 ASN 29 HB1 ASN 29 15.574 2.961 3.596 218 HD21 ASN 29 HD21 ASN 29 12.722 3.486 3.715 219 HD22 ASN 29 HD22 ASN 29 12.499 5.090 3.116 220 H TRP 30 HN TRP 30 15.399 0.095 1.404 221 HA TRP 30 HA TRP 30 17.593 -0.824 2.954 222 HB2 TRP 30 HB2 TRP 30 15.776 -2.270 2.997 223 HB3 TRP 30 HB1 TRP 30 15.477 -2.113 1.272 224 HD1 TRP 30 HD1 TRP 30 18.380 -3.572 3.431 225 HE1 TRP 30 HE1 TRP 30 19.091 -5.804 2.365 226 HE3 TRP 30 HE3 TRP 30 15.154 -3.640 -0.531 227 HZ2 TRP 30 HZ2 TRP 30 18.375 -7.386 0.136 228 HZ3 TRP 30 HZ3 TRP 30 15.229 -5.547 -2.083 229 HH2 TRP 30 HH2 TRP 30 16.807 -7.381 -1.755 230 H LEU 31 HN LEU 31 16.926 -0.909 -0.540 231 HA LEU 31 HA LEU 31 19.338 -2.146 -1.282 232 HB2 LEU 31 HB2 LEU 31 17.307 -0.506 -2.736 233 HB3 LEU 31 HB1 LEU 31 18.790 -0.993 -3.538 234 HG LEU 31 HG LEU 31 16.963 -2.984 -2.220 235 HD11 LEU 31 HD11 LEU 31 16.936 -2.080 -5.094 236 HD12 LEU 31 HD12 LEU 31 15.679 -1.763 -3.899 237 HD13 LEU 31 HD13 LEU 31 16.005 -3.416 -4.418 238 HD21 LEU 31 HD21 LEU 31 19.064 -3.244 -4.366 239 HD22 LEU 31 HD22 LEU 31 18.092 -4.557 -3.698 240 HD23 LEU 31 HD23 LEU 31 19.250 -3.707 -2.675 241 H ASN 32 HN ASN 32 18.515 1.209 -0.707 242 HA ASN 32 HA ASN 32 20.877 2.280 -1.905 243 HB2 ASN 32 HB2 ASN 32 18.747 3.432 -0.122 244 HB3 ASN 32 HB1 ASN 32 20.163 4.368 -0.588 245 HD21 ASN 32 HD21 ASN 32 18.704 2.005 -2.697 246 HD22 ASN 32 HD22 ASN 32 18.065 3.132 -3.839 247 H LYS 33 HN LYS 33 20.076 1.114 1.291 248 HA LYS 33 HA LYS 33 22.474 2.303 2.429 249 HB2 LYS 33 HB2 LYS 33 21.706 1.498 4.558 250 HB3 LYS 33 HB1 LYS 33 20.357 2.254 3.725 251 HG2 LYS 33 HG2 LYS 33 19.299 0.401 4.457 252 HG3 LYS 33 HG1 LYS 33 19.944 -0.256 2.955 253 HD2 LYS 33 HD2 LYS 33 21.918 -1.078 4.242 254 HD3 LYS 33 HD1 LYS 33 21.110 -0.551 5.720 255 HE2 LYS 33 HE2 LYS 33 19.249 -2.054 5.247 256 HE3 LYS 33 HE1 LYS 33 20.027 -2.561 3.748 257 HZ1 LYS 33 HZ1 LYS 33 21.076 -2.983 6.494 258 HZ2 LYS 33 HZ2 LYS 33 21.878 -3.421 5.072 259 HZ3 LYS 33 HZ3 LYS 33 20.417 -4.168 5.481 260 H ARG 34 HN ARG 34 21.436 -0.727 1.117 261 HA ARG 34 HA ARG 34 23.610 -2.210 2.344 262 HB2 ARG 34 HB2 ARG 34 22.738 -4.145 1.215 263 HB3 ARG 34 HB1 ARG 34 21.392 -3.267 1.926 264 HG2 ARG 34 HG2 ARG 34 20.677 -2.462 -0.168 265 HG3 ARG 34 HG1 ARG 34 22.186 -2.935 -0.951 266 HD2 ARG 34 HD2 ARG 34 20.121 -4.806 0.205 267 HD3 ARG 34 HD1 ARG 34 20.369 -4.472 -1.508 268 HE ARG 34 HE ARG 34 22.756 -5.399 -0.268 269 HH11 ARG 34 HH11 ARG 34 19.691 -6.461 -1.549 270 HH12 ARG 34 HH12 ARG 34 20.253 -8.057 -1.914 271 HH21 ARG 34 HH21 ARG 34 23.499 -7.500 -0.748 272 HH22 ARG 34 HH22 ARG 34 22.414 -8.647 -1.461 273 H LYS 35 HN LYS 35 23.957 0.087 0.382 274 HA LYS 35 HA LYS 35 24.957 -0.860 -2.051 275 HB2 LYS 35 HB2 LYS 35 26.278 1.309 -2.046 276 HB3 LYS 35 HB1 LYS 35 24.535 1.459 -1.879 277 HG2 LYS 35 HG2 LYS 35 24.859 1.659 0.584 278 HG3 LYS 35 HG1 LYS 35 26.600 1.701 0.295 279 HD2 LYS 35 HD2 LYS 35 26.243 3.675 -1.179 280 HD3 LYS 35 HD1 LYS 35 24.542 3.664 -0.707 281 HE2 LYS 35 HE2 LYS 35 25.190 3.975 1.631 282 HE3 LYS 35 HE1 LYS 35 26.890 3.979 1.162 283 HZ1 LYS 35 HZ1 LYS 35 24.848 5.962 0.312 284 HZ2 LYS 35 HZ2 LYS 35 26.469 5.961 -0.169 285 HZ3 LYS 35 HZ3 LYS 35 26.069 6.221 1.454 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -26.149 2.092 -3.417 2 H2 MET 1 HT2 MET 1 -27.524 1.190 -3.021 3 H3 MET 1 HT3 MET 1 -26.852 1.071 -4.568 4 HA MET 1 HA MET 1 -26.310 -0.859 -3.226 5 HB2 MET 1 HB2 MET 1 -24.754 0.033 -4.979 6 HB3 MET 1 HB1 MET 1 -23.889 0.885 -3.709 7 HG2 MET 1 HG2 MET 1 -23.322 -1.220 -2.648 8 HG3 MET 1 HG1 MET 1 -24.245 -2.099 -3.866 9 HE1 MET 1 HE1 MET 1 -22.156 -1.425 -7.110 10 HE2 MET 1 HE2 MET 1 -23.539 -0.502 -6.520 11 HE3 MET 1 HE3 MET 1 -23.547 -2.263 -6.423 12 H THR 2 HN THR 2 -25.267 -1.758 -1.415 13 HA THR 2 HA THR 2 -25.617 -0.320 0.991 14 HB THR 2 HB THR 2 -23.949 -2.432 1.648 15 HG1 THR 2 HG1 THR 2 -24.225 -2.981 -0.698 16 HG21 THR 2 HG21 THR 2 -26.054 -1.842 2.749 17 HG22 THR 2 HG22 THR 2 -26.009 -3.557 2.343 18 HG23 THR 2 HG23 THR 2 -26.956 -2.442 1.358 19 H PHE 3 HN PHE 3 -24.290 0.947 2.112 20 HA PHE 3 HA PHE 3 -21.825 1.816 1.055 21 HB2 PHE 3 HB2 PHE 3 -23.483 2.949 2.759 22 HB3 PHE 3 HB1 PHE 3 -22.472 2.151 3.960 23 HD1 PHE 3 HD1 PHE 3 -20.677 3.319 4.790 24 HD2 PHE 3 HD2 PHE 3 -22.120 4.234 0.895 25 HE1 PHE 3 HE1 PHE 3 -19.041 5.149 4.619 26 HE2 PHE 3 HE2 PHE 3 -20.488 6.063 0.714 27 HZ PHE 3 HZ PHE 3 -18.944 6.525 2.578 28 H ALA 4 HN ALA 4 -22.685 -0.613 3.426 29 HA ALA 4 HA ALA 4 -20.079 -1.041 4.457 30 HB1 ALA 4 HB1 ALA 4 -22.056 -1.752 5.676 31 HB2 ALA 4 HB2 ALA 4 -21.004 -3.132 5.357 32 HB3 ALA 4 HB3 ALA 4 -22.461 -2.891 4.392 33 H GLU 5 HN GLU 5 -21.923 -2.494 1.815 34 HA GLU 5 HA GLU 5 -20.007 -4.504 1.216 35 HB2 GLU 5 HB2 GLU 5 -22.246 -3.314 -0.423 36 HB3 GLU 5 HB1 GLU 5 -21.251 -4.658 -0.969 37 HG2 GLU 5 HG2 GLU 5 -23.002 -4.636 1.478 38 HG3 GLU 5 HG1 GLU 5 -23.363 -5.432 -0.053 39 H LEU 6 HN LEU 6 -20.556 -1.216 0.068 40 HA LEU 6 HA LEU 6 -18.432 -1.404 -1.888 41 HB2 LEU 6 HB2 LEU 6 -20.560 0.031 -2.063 42 HB3 LEU 6 HB1 LEU 6 -19.755 1.130 -0.957 43 HG LEU 6 HG LEU 6 -18.212 0.361 -3.362 44 HD11 LEU 6 HD11 LEU 6 -20.603 2.191 -3.515 45 HD12 LEU 6 HD12 LEU 6 -20.441 0.626 -4.310 46 HD13 LEU 6 HD13 LEU 6 -19.392 1.964 -4.777 47 HD21 LEU 6 HD21 LEU 6 -17.239 1.927 -1.853 48 HD22 LEU 6 HD22 LEU 6 -18.709 2.898 -1.818 49 HD23 LEU 6 HD23 LEU 6 -17.737 2.824 -3.287 50 H GLY 7 HN GLY 7 -18.685 -0.817 1.426 51 HA2 GLY 7 HA2 GLY 7 -16.591 1.079 1.755 52 HA3 GLY 7 HA1 GLY 7 -17.245 0.033 3.005 53 H MET 8 HN MET 8 -16.674 -2.465 1.902 54 HA MET 8 HA MET 8 -13.927 -2.710 2.616 55 HB2 MET 8 HB2 MET 8 -15.826 -4.735 1.416 56 HB3 MET 8 HB1 MET 8 -14.239 -5.108 2.075 57 HG2 MET 8 HG2 MET 8 -16.582 -3.992 3.597 58 HG3 MET 8 HG1 MET 8 -15.981 -5.647 3.663 59 HE1 MET 8 HE1 MET 8 -16.455 -3.670 6.216 60 HE2 MET 8 HE2 MET 8 -15.051 -4.126 7.180 61 HE3 MET 8 HE3 MET 8 -15.976 -5.364 6.331 62 H ALA 9 HN ALA 9 -15.703 -3.038 -0.440 63 HA ALA 9 HA ALA 9 -13.497 -3.747 -2.033 64 HB1 ALA 9 HB1 ALA 9 -15.807 -4.050 -2.762 65 HB2 ALA 9 HB2 ALA 9 -14.891 -3.100 -3.934 66 HB3 ALA 9 HB3 ALA 9 -16.019 -2.301 -2.838 67 H PHE 10 HN PHE 10 -14.904 -0.599 -1.232 68 HA PHE 10 HA PHE 10 -13.174 0.916 -2.899 69 HB2 PHE 10 HB2 PHE 10 -15.212 1.949 -2.302 70 HB3 PHE 10 HB1 PHE 10 -14.979 1.614 -0.592 71 HD1 PHE 10 HD1 PHE 10 -14.830 3.561 0.575 72 HD2 PHE 10 HD2 PHE 10 -12.846 3.270 -3.179 73 HE1 PHE 10 HE1 PHE 10 -13.891 5.812 0.902 74 HE2 PHE 10 HE2 PHE 10 -11.904 5.521 -2.860 75 HZ PHE 10 HZ PHE 10 -12.427 6.796 -0.817 76 H TRP 11 HN TRP 11 -13.107 0.113 0.568 77 HA TRP 11 HA TRP 11 -10.811 1.635 1.170 78 HB2 TRP 11 HB2 TRP 11 -12.375 -0.475 2.521 79 HB3 TRP 11 HB1 TRP 11 -10.697 -0.329 3.031 80 HD1 TRP 11 HD1 TRP 11 -14.007 1.033 3.797 81 HE1 TRP 11 HE1 TRP 11 -13.818 3.189 5.192 82 HE3 TRP 11 HE3 TRP 11 -9.034 2.007 3.114 83 HZ2 TRP 11 HZ2 TRP 11 -11.823 5.056 5.906 84 HZ3 TRP 11 HZ3 TRP 11 -8.064 3.997 4.187 85 HH2 TRP 11 HH2 TRP 11 -9.430 5.489 5.552 86 H HIS 12 HN HIS 12 -11.223 -1.733 0.189 87 HA HIS 12 HA HIS 12 -8.488 -2.439 0.430 88 HB2 HIS 12 HB2 HIS 12 -10.756 -3.665 -1.147 89 HB3 HIS 12 HB1 HIS 12 -9.145 -4.372 -1.061 90 HD1 HIS 12 HD1 HIS 12 -10.601 -2.841 2.028 91 HD2 HIS 12 HD2 HIS 12 -10.159 -6.592 0.297 92 HE1 HIS 12 HE1 HIS 12 -11.171 -4.524 3.828 93 H ASP 13 HN ASP 13 -10.460 -1.238 -2.241 94 HA ASP 13 HA ASP 13 -8.501 -1.519 -4.255 95 HB2 ASP 13 HB2 ASP 13 -10.920 -1.228 -4.711 96 HB3 ASP 13 HB1 ASP 13 -10.808 0.435 -4.141 97 H LEU 14 HN LEU 14 -9.377 1.191 -2.133 98 HA LEU 14 HA LEU 14 -7.472 2.972 -3.299 99 HB2 LEU 14 HB2 LEU 14 -8.112 4.544 -1.701 100 HB3 LEU 14 HB1 LEU 14 -9.567 3.636 -2.041 101 HG LEU 14 HG LEU 14 -8.814 2.264 0.086 102 HD11 LEU 14 HD11 LEU 14 -6.696 3.432 0.368 103 HD12 LEU 14 HD12 LEU 14 -7.759 3.710 1.749 104 HD13 LEU 14 HD13 LEU 14 -7.553 4.964 0.525 105 HD21 LEU 14 HD21 LEU 14 -10.087 4.996 0.193 106 HD22 LEU 14 HD22 LEU 14 -10.204 3.760 1.445 107 HD23 LEU 14 HD23 LEU 14 -10.913 3.475 -0.144 108 H ALA 15 HN ALA 15 -7.425 0.643 -0.725 109 HA ALA 15 HA ALA 15 -5.044 1.555 0.528 110 HB1 ALA 15 HB1 ALA 15 -5.060 -0.561 1.705 111 HB2 ALA 15 HB2 ALA 15 -6.260 -1.203 0.582 112 HB3 ALA 15 HB3 ALA 15 -6.684 0.124 1.664 113 H ALA 16 HN ALA 16 -5.707 -0.664 -2.117 114 HA ALA 16 HA ALA 16 -3.370 -2.074 -2.308 115 HB1 ALA 16 HB1 ALA 16 -4.934 -0.937 -4.622 116 HB2 ALA 16 HB2 ALA 16 -5.294 -2.436 -3.767 117 HB3 ALA 16 HB3 ALA 16 -3.800 -2.285 -4.694 118 HA PRO 17 HA PRO 17 -1.160 1.437 -4.771 119 HB2 PRO 17 HB2 PRO 17 -2.273 3.918 -4.778 120 HB3 PRO 17 HB1 PRO 17 -2.659 2.693 -6.003 121 HG2 PRO 17 HG2 PRO 17 -4.207 3.489 -3.586 122 HG3 PRO 17 HG1 PRO 17 -4.777 3.137 -5.230 123 HD2 PRO 17 HD2 PRO 17 -4.951 1.343 -3.215 124 HD3 PRO 17 HD1 PRO 17 -4.733 0.870 -4.910 125 H VAL 18 HN VAL 18 -2.884 2.216 -1.826 126 HA VAL 18 HA VAL 18 -1.062 4.167 -0.842 127 HB VAL 18 HB VAL 18 -3.083 2.442 0.595 128 HG11 VAL 18 HG11 VAL 18 -2.844 4.016 2.472 129 HG12 VAL 18 HG12 VAL 18 -1.492 4.782 1.638 130 HG13 VAL 18 HG13 VAL 18 -1.366 3.104 2.169 131 HG21 VAL 18 HG21 VAL 18 -3.854 4.162 -1.111 132 HG22 VAL 18 HG22 VAL 18 -3.244 5.386 0.004 133 HG23 VAL 18 HG23 VAL 18 -4.536 4.296 0.510 134 H ILE 19 HN ILE 19 -1.479 0.706 -0.200 135 HA ILE 19 HA ILE 19 0.664 0.510 1.651 136 HB ILE 19 HB ILE 19 -0.580 -1.707 0.021 137 HG12 ILE 19 HG12 ILE 19 -1.353 -0.972 2.833 138 HG13 ILE 19 HG11 ILE 19 -2.122 -0.188 1.457 139 HG21 ILE 19 HG21 ILE 19 0.921 -1.748 2.637 140 HG22 ILE 19 HG22 ILE 19 1.515 -2.334 1.084 141 HG23 ILE 19 HG23 ILE 19 0.158 -3.141 1.870 142 HD11 ILE 19 HD11 ILE 19 -2.887 -2.343 0.641 143 HD12 ILE 19 HD12 ILE 19 -3.439 -2.057 2.291 144 HD13 ILE 19 HD13 ILE 19 -2.087 -3.149 1.990 145 H ALA 20 HN ALA 20 0.346 -0.212 -1.806 146 HA ALA 20 HA ALA 20 2.862 -1.353 -2.218 147 HB1 ALA 20 HB1 ALA 20 1.029 -1.414 -3.859 148 HB2 ALA 20 HB2 ALA 20 2.543 -0.849 -4.567 149 HB3 ALA 20 HB3 ALA 20 1.270 0.306 -4.171 150 H GLY 21 HN GLY 21 1.861 2.026 -2.109 151 HA2 GLY 21 HA2 GLY 21 4.261 3.141 -3.109 152 HA3 GLY 21 HA1 GLY 21 3.075 3.979 -2.118 153 H ILE 22 HN ILE 22 3.164 2.487 0.198 154 HA ILE 22 HA ILE 22 5.466 3.542 1.469 155 HB ILE 22 HB ILE 22 3.536 1.461 2.509 156 HG12 ILE 22 HG12 ILE 22 3.489 4.451 2.958 157 HG13 ILE 22 HG11 ILE 22 2.512 3.638 1.739 158 HG21 ILE 22 HG21 ILE 22 5.601 1.552 3.791 159 HG22 ILE 22 HG22 ILE 22 4.262 2.220 4.725 160 HG23 ILE 22 HG23 ILE 22 5.433 3.299 3.966 161 HD11 ILE 22 HD11 ILE 22 2.381 3.132 4.702 162 HD12 ILE 22 HD12 ILE 22 1.374 2.376 3.467 163 HD13 ILE 22 HD13 ILE 22 1.246 4.108 3.770 164 H LEU 23 HN LEU 23 4.588 0.362 0.265 165 HA LEU 23 HA LEU 23 6.678 -1.110 1.440 166 HB2 LEU 23 HB2 LEU 23 4.748 -2.213 0.503 167 HB3 LEU 23 HB1 LEU 23 5.095 -1.565 -1.087 168 HG LEU 23 HG LEU 23 7.106 -2.940 -1.235 169 HD11 LEU 23 HD11 LEU 23 7.566 -4.649 0.465 170 HD12 LEU 23 HD12 LEU 23 6.283 -3.981 1.473 171 HD13 LEU 23 HD13 LEU 23 7.715 -3.016 1.115 172 HD21 LEU 23 HD21 LEU 23 6.015 -5.128 -1.371 173 HD22 LEU 23 HD22 LEU 23 5.003 -3.852 -2.049 174 HD23 LEU 23 HD23 LEU 23 4.650 -4.501 -0.447 175 H ALA 24 HN ALA 24 6.462 0.782 -1.507 176 HA ALA 24 HA ALA 24 8.865 -0.071 -2.709 177 HB1 ALA 24 HB1 ALA 24 8.697 2.011 -4.024 178 HB2 ALA 24 HB2 ALA 24 7.391 2.548 -2.965 179 HB3 ALA 24 HB3 ALA 24 7.178 1.116 -3.972 180 H SER 25 HN SER 25 8.140 2.576 -0.474 181 HA SER 25 HA SER 25 10.650 3.800 -0.460 182 HB2 SER 25 HB2 SER 25 8.655 3.571 1.810 183 HB3 SER 25 HB1 SER 25 9.993 4.718 1.737 184 HG SER 25 HG SER 25 7.717 4.586 0.056 185 H MET 26 HN MET 26 9.434 0.989 1.243 186 HA MET 26 HA MET 26 11.562 0.683 3.069 187 HB2 MET 26 HB2 MET 26 9.777 -1.443 1.866 188 HB3 MET 26 HB1 MET 26 10.757 -1.621 3.316 189 HG2 MET 26 HG2 MET 26 9.431 -0.011 4.486 190 HG3 MET 26 HG1 MET 26 8.538 0.386 3.020 191 HE1 MET 26 HE1 MET 26 8.242 -3.700 5.150 192 HE2 MET 26 HE2 MET 26 9.238 -2.370 5.742 193 HE3 MET 26 HE3 MET 26 9.656 -3.181 4.233 194 H ILE 27 HN ILE 27 10.987 -0.623 -0.170 195 HA ILE 27 HA ILE 27 13.282 -2.243 -0.310 196 HB ILE 27 HB ILE 27 11.828 -0.893 -2.590 197 HG12 ILE 27 HG12 ILE 27 11.424 -3.642 -1.384 198 HG13 ILE 27 HG11 ILE 27 10.350 -2.267 -1.149 199 HG21 ILE 27 HG21 ILE 27 13.631 -3.312 -2.562 200 HG22 ILE 27 HG22 ILE 27 14.028 -1.728 -3.227 201 HG23 ILE 27 HG23 ILE 27 12.752 -2.697 -3.962 202 HD11 ILE 27 HD11 ILE 27 9.454 -3.781 -2.806 203 HD12 ILE 27 HD12 ILE 27 10.931 -3.643 -3.761 204 HD13 ILE 27 HD13 ILE 27 9.881 -2.240 -3.552 205 H VAL 28 HN VAL 28 12.696 1.098 -1.387 206 HA VAL 28 HA VAL 28 15.238 1.544 -2.500 207 HB VAL 28 HB VAL 28 13.426 3.589 -1.205 208 HG11 VAL 28 HG11 VAL 28 15.698 4.410 -1.563 209 HG12 VAL 28 HG12 VAL 28 14.563 5.193 -2.664 210 HG13 VAL 28 HG13 VAL 28 15.621 3.909 -3.253 211 HG21 VAL 28 HG21 VAL 28 12.263 2.305 -2.929 212 HG22 VAL 28 HG22 VAL 28 13.559 2.657 -4.072 213 HG23 VAL 28 HG23 VAL 28 12.548 3.964 -3.455 214 H ASN 29 HN ASN 29 14.012 1.977 0.786 215 HA ASN 29 HA ASN 29 16.277 3.249 1.865 216 HB2 ASN 29 HB2 ASN 29 14.140 1.532 3.135 217 HB3 ASN 29 HB1 ASN 29 15.393 2.345 4.066 218 HD21 ASN 29 HD21 ASN 29 15.426 4.661 2.282 219 HD22 ASN 29 HD22 ASN 29 13.999 5.562 2.648 220 H TRP 30 HN TRP 30 15.477 -0.117 1.335 221 HA TRP 30 HA TRP 30 17.613 -1.220 2.846 222 HB2 TRP 30 HB2 TRP 30 15.874 -2.720 2.460 223 HB3 TRP 30 HB1 TRP 30 15.713 -2.257 0.771 224 HD1 TRP 30 HD1 TRP 30 18.534 -3.929 2.882 225 HE1 TRP 30 HE1 TRP 30 19.472 -5.891 1.503 226 HE3 TRP 30 HE3 TRP 30 15.614 -3.458 -1.287 227 HZ2 TRP 30 HZ2 TRP 30 19.029 -7.081 -1.022 228 HZ3 TRP 30 HZ3 TRP 30 15.932 -5.046 -3.139 229 HH2 TRP 30 HH2 TRP 30 17.605 -6.820 -3.008 230 H LEU 31 HN LEU 31 17.178 -0.653 -0.643 231 HA LEU 31 HA LEU 31 19.702 -1.607 -1.427 232 HB2 LEU 31 HB2 LEU 31 17.610 0.102 -2.662 233 HB3 LEU 31 HB1 LEU 31 19.202 0.099 -3.397 234 HG LEU 31 HG LEU 31 17.631 -2.419 -2.876 235 HD11 LEU 31 HD11 LEU 31 17.046 -2.376 -5.246 236 HD12 LEU 31 HD12 LEU 31 17.803 -0.791 -5.406 237 HD13 LEU 31 HD13 LEU 31 16.373 -0.987 -4.393 238 HD21 LEU 31 HD21 LEU 31 20.013 -1.817 -4.625 239 HD22 LEU 31 HD22 LEU 31 19.175 -3.366 -4.532 240 HD23 LEU 31 HD23 LEU 31 20.028 -2.738 -3.121 241 H ASN 32 HN ASN 32 18.683 1.464 -0.133 242 HA ASN 32 HA ASN 32 20.928 2.985 -0.949 243 HB2 ASN 32 HB2 ASN 32 18.943 3.337 1.296 244 HB3 ASN 32 HB1 ASN 32 20.234 4.493 0.982 245 HD21 ASN 32 HD21 ASN 32 17.363 4.870 0.867 246 HD22 ASN 32 HD22 ASN 32 17.005 5.391 -0.741 247 H LYS 33 HN LYS 33 20.441 0.660 1.548 248 HA LYS 33 HA LYS 33 22.671 1.499 3.164 249 HB2 LYS 33 HB2 LYS 33 20.956 0.410 4.354 250 HB3 LYS 33 HB1 LYS 33 20.861 -0.899 3.182 251 HG2 LYS 33 HG2 LYS 33 23.071 -1.682 3.887 252 HG3 LYS 33 HG1 LYS 33 23.141 -0.382 5.079 253 HD2 LYS 33 HD2 LYS 33 21.335 -1.289 6.304 254 HD3 LYS 33 HD1 LYS 33 20.935 -2.418 5.008 255 HE2 LYS 33 HE2 LYS 33 23.567 -2.473 6.462 256 HE3 LYS 33 HE1 LYS 33 22.161 -3.386 7.009 257 HZ1 LYS 33 HZ1 LYS 33 22.131 -4.546 4.897 258 HZ2 LYS 33 HZ2 LYS 33 23.640 -4.728 5.639 259 HZ3 LYS 33 HZ3 LYS 33 23.458 -3.650 4.349 260 H ARG 34 HN ARG 34 22.003 -1.164 0.918 261 HA ARG 34 HA ARG 34 24.734 -2.098 1.074 262 HB2 ARG 34 HB2 ARG 34 23.938 -3.741 -0.677 263 HB3 ARG 34 HB1 ARG 34 23.110 -3.811 0.872 264 HG2 ARG 34 HG2 ARG 34 21.222 -2.612 -0.034 265 HG3 ARG 34 HG1 ARG 34 22.061 -2.397 -1.572 266 HD2 ARG 34 HD2 ARG 34 20.402 -4.238 -1.602 267 HD3 ARG 34 HD1 ARG 34 22.043 -4.765 -1.975 268 HE ARG 34 HE ARG 34 21.119 -5.033 0.781 269 HH11 ARG 34 HH11 ARG 34 21.851 -6.532 -2.277 270 HH12 ARG 34 HH12 ARG 34 21.956 -8.129 -1.615 271 HH21 ARG 34 HH21 ARG 34 21.255 -7.130 1.662 272 HH22 ARG 34 HH22 ARG 34 21.616 -8.469 0.625 273 H LYS 35 HN LYS 35 25.235 0.281 0.306 274 HA LYS 35 HA LYS 35 24.921 1.063 -2.341 275 HB2 LYS 35 HB2 LYS 35 27.247 1.614 -0.489 276 HB3 LYS 35 HB1 LYS 35 26.931 2.472 -1.990 277 HG2 LYS 35 HG2 LYS 35 25.913 3.935 -0.627 278 HG3 LYS 35 HG1 LYS 35 24.564 2.804 -0.755 279 HD2 LYS 35 HD2 LYS 35 24.837 3.258 1.554 280 HD3 LYS 35 HD1 LYS 35 25.502 1.647 1.283 281 HE2 LYS 35 HE2 LYS 35 27.755 2.570 1.229 282 HE3 LYS 35 HE1 LYS 35 27.107 4.196 1.446 283 HZ1 LYS 35 HZ1 LYS 35 27.920 3.289 3.527 284 HZ2 LYS 35 HZ2 LYS 35 26.875 1.966 3.395 285 HZ3 LYS 35 HZ3 LYS 35 26.246 3.522 3.603 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -27.443 1.135 4.539 2 H2 MET 1 HT2 MET 1 -27.267 -0.337 3.724 3 H3 MET 1 HT3 MET 1 -28.116 0.934 2.999 4 HA MET 1 HA MET 1 -26.115 2.260 2.888 5 HB2 MET 1 HB2 MET 1 -25.075 1.154 4.896 6 HB3 MET 1 HB1 MET 1 -24.703 -0.224 3.870 7 HG2 MET 1 HG2 MET 1 -22.775 1.229 4.145 8 HG3 MET 1 HG1 MET 1 -23.302 1.169 2.465 9 HE1 MET 1 HE1 MET 1 -24.936 3.183 5.443 10 HE2 MET 1 HE2 MET 1 -24.104 4.730 5.293 11 HE3 MET 1 HE3 MET 1 -23.205 3.287 5.762 12 H THR 2 HN THR 2 -24.635 2.083 1.092 13 HA THR 2 HA THR 2 -25.559 0.081 -0.839 14 HB THR 2 HB THR 2 -23.822 2.087 -1.967 15 HG1 THR 2 HG1 THR 2 -24.870 3.160 -0.007 16 HG21 THR 2 HG21 THR 2 -26.759 1.492 -2.306 17 HG22 THR 2 HG22 THR 2 -25.438 0.769 -3.226 18 HG23 THR 2 HG23 THR 2 -25.785 2.492 -3.383 19 H PHE 3 HN PHE 3 -24.209 -1.318 -1.854 20 HA PHE 3 HA PHE 3 -21.780 -2.021 -0.624 21 HB2 PHE 3 HB2 PHE 3 -23.381 -3.407 -2.171 22 HB3 PHE 3 HB1 PHE 3 -22.367 -2.777 -3.466 23 HD1 PHE 3 HD1 PHE 3 -22.031 -4.390 -0.132 24 HD2 PHE 3 HD2 PHE 3 -20.538 -4.021 -4.098 25 HE1 PHE 3 HE1 PHE 3 -20.371 -6.143 0.336 26 HE2 PHE 3 HE2 PHE 3 -18.874 -5.777 -3.639 27 HZ PHE 3 HZ PHE 3 -18.789 -6.841 -1.419 28 H ALA 4 HN ALA 4 -22.558 0.014 -3.365 29 HA ALA 4 HA ALA 4 -19.922 0.308 -4.361 30 HB1 ALA 4 HB1 ALA 4 -21.898 0.848 -5.702 31 HB2 ALA 4 HB2 ALA 4 -20.805 2.228 -5.588 32 HB3 ALA 4 HB3 ALA 4 -22.274 2.184 -4.613 33 H GLU 5 HN GLU 5 -21.824 2.008 -1.937 34 HA GLU 5 HA GLU 5 -20.015 4.156 -1.550 35 HB2 GLU 5 HB2 GLU 5 -22.148 2.986 0.240 36 HB3 GLU 5 HB1 GLU 5 -21.234 4.431 0.640 37 HG2 GLU 5 HG2 GLU 5 -22.069 5.327 -1.618 38 HG3 GLU 5 HG1 GLU 5 -23.250 4.024 -1.527 39 H LEU 6 HN LEU 6 -20.442 1.014 0.009 40 HA LEU 6 HA LEU 6 -18.296 1.447 1.879 41 HB2 LEU 6 HB2 LEU 6 -20.346 -0.043 2.221 42 HB3 LEU 6 HB1 LEU 6 -19.556 -1.191 1.156 43 HG LEU 6 HG LEU 6 -17.934 -0.260 3.442 44 HD11 LEU 6 HD11 LEU 6 -20.164 -0.471 4.460 45 HD12 LEU 6 HD12 LEU 6 -19.044 -1.705 5.036 46 HD13 LEU 6 HD13 LEU 6 -20.274 -2.119 3.842 47 HD21 LEU 6 HD21 LEU 6 -17.140 -1.954 1.865 48 HD22 LEU 6 HD22 LEU 6 -18.524 -2.972 2.259 49 HD23 LEU 6 HD23 LEU 6 -17.310 -2.621 3.489 50 H GLY 7 HN GLY 7 -18.536 0.574 -1.368 51 HA2 GLY 7 HA2 GLY 7 -16.398 -1.275 -1.584 52 HA3 GLY 7 HA1 GLY 7 -17.060 -0.308 -2.892 53 H MET 8 HN MET 8 -16.515 2.244 -2.120 54 HA MET 8 HA MET 8 -13.768 2.469 -2.772 55 HB2 MET 8 HB2 MET 8 -15.675 4.571 -1.726 56 HB3 MET 8 HB1 MET 8 -14.106 4.892 -2.450 57 HG2 MET 8 HG2 MET 8 -16.435 3.585 -3.838 58 HG3 MET 8 HG1 MET 8 -15.950 5.271 -4.011 59 HE1 MET 8 HE1 MET 8 -16.318 3.176 -6.480 60 HE2 MET 8 HE2 MET 8 -14.947 3.686 -7.465 61 HE3 MET 8 HE3 MET 8 -15.941 4.891 -6.645 62 H ALA 9 HN ALA 9 -15.553 3.029 0.252 63 HA ALA 9 HA ALA 9 -13.377 3.921 1.781 64 HB1 ALA 9 HB1 ALA 9 -15.707 4.179 2.480 65 HB2 ALA 9 HB2 ALA 9 -14.741 3.389 3.726 66 HB3 ALA 9 HB3 ALA 9 -15.828 2.435 2.718 67 H PHE 10 HN PHE 10 -14.702 0.658 1.339 68 HA PHE 10 HA PHE 10 -12.864 -0.616 3.086 69 HB2 PHE 10 HB2 PHE 10 -14.872 -1.775 2.699 70 HB3 PHE 10 HB1 PHE 10 -14.745 -1.594 0.954 71 HD1 PHE 10 HD1 PHE 10 -12.442 -2.946 3.574 72 HD2 PHE 10 HD2 PHE 10 -14.559 -3.622 -0.055 73 HE1 PHE 10 HE1 PHE 10 -11.436 -5.184 3.409 74 HE2 PHE 10 HE2 PHE 10 -13.554 -5.861 -0.229 75 HZ PHE 10 HZ PHE 10 -11.991 -6.646 1.506 76 H TRP 11 HN TRP 11 -12.939 -0.210 -0.449 77 HA TRP 11 HA TRP 11 -10.644 -1.750 -0.976 78 HB2 TRP 11 HB2 TRP 11 -12.247 0.241 -2.478 79 HB3 TRP 11 HB1 TRP 11 -10.606 -0.045 -3.047 80 HD1 TRP 11 HD1 TRP 11 -14.009 -1.330 -3.463 81 HE1 TRP 11 HE1 TRP 11 -13.993 -3.638 -4.602 82 HE3 TRP 11 HE3 TRP 11 -9.044 -2.452 -2.957 83 HZ2 TRP 11 HZ2 TRP 11 -12.124 -5.665 -5.208 84 HZ3 TRP 11 HZ3 TRP 11 -8.224 -4.596 -3.846 85 HH2 TRP 11 HH2 TRP 11 -9.734 -6.168 -4.946 86 H HIS 12 HN HIS 12 -11.069 1.697 -0.352 87 HA HIS 12 HA HIS 12 -8.358 2.405 -0.769 88 HB2 HIS 12 HB2 HIS 12 -10.638 3.753 0.668 89 HB3 HIS 12 HB1 HIS 12 -9.030 4.466 0.593 90 HD1 HIS 12 HD1 HIS 12 -10.634 2.700 -2.342 91 HD2 HIS 12 HD2 HIS 12 -9.690 6.538 -1.064 92 HE1 HIS 12 HE1 HIS 12 -11.035 4.226 -4.319 93 H ASP 13 HN ASP 13 -10.212 1.472 2.086 94 HA ASP 13 HA ASP 13 -8.193 2.013 3.983 95 HB2 ASP 13 HB2 ASP 13 -10.546 1.735 4.612 96 HB3 ASP 13 HB1 ASP 13 -10.484 0.043 4.131 97 H LEU 14 HN LEU 14 -9.067 -0.935 2.208 98 HA LEU 14 HA LEU 14 -7.063 -2.527 3.475 99 HB2 LEU 14 HB2 LEU 14 -7.739 -4.283 2.105 100 HB3 LEU 14 HB1 LEU 14 -9.199 -3.361 2.379 101 HG LEU 14 HG LEU 14 -8.502 -2.241 0.079 102 HD11 LEU 14 HD11 LEU 14 -6.396 -3.564 -0.019 103 HD12 LEU 14 HD12 LEU 14 -7.444 -3.778 -1.422 104 HD13 LEU 14 HD13 LEU 14 -7.374 -5.022 -0.174 105 HD21 LEU 14 HD21 LEU 14 -10.609 -3.355 0.494 106 HD22 LEU 14 HD22 LEU 14 -9.828 -4.933 0.386 107 HD23 LEU 14 HD23 LEU 14 -9.939 -3.905 -1.042 108 H ALA 15 HN ALA 15 -7.200 -0.497 0.664 109 HA ALA 15 HA ALA 15 -4.850 -1.474 -0.600 110 HB1 ALA 15 HB1 ALA 15 -6.599 -0.220 -1.790 111 HB2 ALA 15 HB2 ALA 15 -4.997 0.485 -2.005 112 HB3 ALA 15 HB3 ALA 15 -6.147 1.230 -0.894 113 H ALA 16 HN ALA 16 -5.463 1.004 1.817 114 HA ALA 16 HA ALA 16 -3.151 2.477 1.720 115 HB1 ALA 16 HB1 ALA 16 -3.522 3.069 4.009 116 HB2 ALA 16 HB2 ALA 16 -4.501 1.628 4.276 117 HB3 ALA 16 HB3 ALA 16 -5.088 2.907 3.213 118 HA PRO 17 HA PRO 17 -0.781 -0.659 4.513 119 HB2 PRO 17 HB2 PRO 17 -1.838 -3.126 4.909 120 HB3 PRO 17 HB1 PRO 17 -2.224 -1.748 5.958 121 HG2 PRO 17 HG2 PRO 17 -3.810 -2.907 3.719 122 HG3 PRO 17 HG1 PRO 17 -4.349 -2.349 5.316 123 HD2 PRO 17 HD2 PRO 17 -4.617 -0.849 3.079 124 HD3 PRO 17 HD1 PRO 17 -4.379 -0.147 4.689 125 H VAL 18 HN VAL 18 -2.609 -1.872 1.778 126 HA VAL 18 HA VAL 18 -0.792 -3.911 0.999 127 HB VAL 18 HB VAL 18 -2.909 -2.408 -0.542 128 HG11 VAL 18 HG11 VAL 18 -1.239 -4.749 -1.450 129 HG12 VAL 18 HG12 VAL 18 -1.244 -3.124 -2.137 130 HG13 VAL 18 HG13 VAL 18 -2.675 -4.144 -2.278 131 HG21 VAL 18 HG21 VAL 18 -2.876 -5.276 0.374 132 HG22 VAL 18 HG22 VAL 18 -4.240 -4.362 -0.273 133 HG23 VAL 18 HG23 VAL 18 -3.582 -3.962 1.314 134 H ILE 19 HN ILE 19 -1.269 -0.569 -0.072 135 HA ILE 19 HA ILE 19 0.837 -0.585 -1.977 136 HB ILE 19 HB ILE 19 -0.490 1.760 -0.611 137 HG12 ILE 19 HG12 ILE 19 -1.092 0.757 -3.379 138 HG13 ILE 19 HG11 ILE 19 -1.891 0.050 -1.978 139 HG21 ILE 19 HG21 ILE 19 0.279 3.039 -2.575 140 HG22 ILE 19 HG22 ILE 19 1.172 1.620 -3.124 141 HG23 ILE 19 HG23 ILE 19 1.615 2.410 -1.610 142 HD11 ILE 19 HD11 ILE 19 -3.211 1.812 -3.079 143 HD12 ILE 19 HD12 ILE 19 -1.945 2.974 -2.680 144 HD13 ILE 19 HD13 ILE 19 -2.845 2.173 -1.392 145 H ALA 20 HN ALA 20 0.557 0.703 1.325 146 HA ALA 20 HA ALA 20 3.130 1.794 1.515 147 HB1 ALA 20 HB1 ALA 20 1.431 0.656 3.734 148 HB2 ALA 20 HB2 ALA 20 1.312 2.293 3.088 149 HB3 ALA 20 HB3 ALA 20 2.779 1.778 3.921 150 H GLY 21 HN GLY 21 1.944 -1.474 2.065 151 HA2 GLY 21 HA2 GLY 21 4.263 -2.499 3.318 152 HA3 GLY 21 HA1 GLY 21 3.037 -3.448 2.492 153 H ILE 22 HN ILE 22 3.240 -2.487 -0.084 154 HA ILE 22 HA ILE 22 5.498 -3.909 -1.040 155 HB ILE 22 HB ILE 22 3.682 -2.011 -2.538 156 HG12 ILE 22 HG12 ILE 22 3.563 -5.028 -2.397 157 HG13 ILE 22 HG11 ILE 22 2.580 -3.971 -1.390 158 HG21 ILE 22 HG21 ILE 22 5.766 -2.393 -3.727 159 HG22 ILE 22 HG22 ILE 22 4.436 -3.215 -4.542 160 HG23 ILE 22 HG23 ILE 22 5.567 -4.137 -3.552 161 HD11 ILE 22 HD11 ILE 22 1.539 -3.034 -3.382 162 HD12 ILE 22 HD12 ILE 22 1.335 -4.784 -3.310 163 HD13 ILE 22 HD13 ILE 22 2.533 -4.080 -4.396 164 H LEU 23 HN LEU 23 4.768 -0.484 -0.649 165 HA LEU 23 HA LEU 23 7.040 0.510 -1.999 166 HB2 LEU 23 HB2 LEU 23 5.161 1.949 -1.606 167 HB3 LEU 23 HB1 LEU 23 5.277 1.715 0.128 168 HG LEU 23 HG LEU 23 7.411 2.934 0.153 169 HD11 LEU 23 HD11 LEU 23 8.193 2.400 -2.086 170 HD12 LEU 23 HD12 LEU 23 8.148 4.146 -1.844 171 HD13 LEU 23 HD13 LEU 23 6.885 3.354 -2.786 172 HD21 LEU 23 HD21 LEU 23 5.189 4.442 -1.217 173 HD22 LEU 23 HD22 LEU 23 6.511 5.151 -0.291 174 HD23 LEU 23 HD23 LEU 23 5.314 4.139 0.515 175 H ALA 24 HN ALA 24 6.444 -0.403 1.350 176 HA ALA 24 HA ALA 24 8.778 0.624 2.496 177 HB1 ALA 24 HB1 ALA 24 7.231 -1.838 3.296 178 HB2 ALA 24 HB2 ALA 24 6.894 -0.188 3.817 179 HB3 ALA 24 HB3 ALA 24 8.396 -0.977 4.302 180 H SER 25 HN SER 25 8.150 -2.504 0.955 181 HA SER 25 HA SER 25 10.673 -3.641 1.522 182 HB2 SER 25 HB2 SER 25 8.728 -4.266 -0.712 183 HB3 SER 25 HB1 SER 25 10.102 -5.272 -0.252 184 HG SER 25 HG SER 25 7.885 -4.595 1.389 185 H MET 26 HN MET 26 9.486 -1.684 -1.161 186 HA MET 26 HA MET 26 11.758 -2.020 -2.817 187 HB2 MET 26 HB2 MET 26 9.691 0.181 -2.716 188 HB3 MET 26 HB1 MET 26 10.921 0.044 -3.965 189 HG2 MET 26 HG2 MET 26 9.998 -2.247 -4.457 190 HG3 MET 26 HG1 MET 26 8.652 -1.837 -3.397 191 HE1 MET 26 HE1 MET 26 8.188 1.237 -3.976 192 HE2 MET 26 HE2 MET 26 6.886 0.050 -3.893 193 HE3 MET 26 HE3 MET 26 6.986 1.155 -5.264 194 H ILE 27 HN ILE 27 10.891 0.383 -0.372 195 HA ILE 27 HA ILE 27 13.093 2.098 -0.778 196 HB ILE 27 HB ILE 27 11.469 1.627 1.727 197 HG12 ILE 27 HG12 ILE 27 11.260 3.842 -0.323 198 HG13 ILE 27 HG11 ILE 27 10.227 2.417 -0.309 199 HG21 ILE 27 HG21 ILE 27 12.298 3.829 2.444 200 HG22 ILE 27 HG22 ILE 27 13.361 3.871 1.037 201 HG23 ILE 27 HG23 ILE 27 13.596 2.646 2.284 202 HD11 ILE 27 HD11 ILE 27 10.423 4.470 1.882 203 HD12 ILE 27 HD12 ILE 27 9.377 3.050 1.884 204 HD13 ILE 27 HD13 ILE 27 9.123 4.331 0.700 205 H VAL 28 HN VAL 28 12.600 -0.676 1.371 206 HA VAL 28 HA VAL 28 15.088 -0.466 2.709 207 HB VAL 28 HB VAL 28 13.294 -2.869 2.333 208 HG11 VAL 28 HG11 VAL 28 15.605 -2.450 4.225 209 HG12 VAL 28 HG12 VAL 28 15.543 -3.590 2.882 210 HG13 VAL 28 HG13 VAL 28 14.483 -3.809 4.274 211 HG21 VAL 28 HG21 VAL 28 12.257 -0.964 3.501 212 HG22 VAL 28 HG22 VAL 28 13.575 -0.983 4.670 213 HG23 VAL 28 HG23 VAL 28 12.478 -2.358 4.557 214 H ASN 29 HN ASN 29 14.035 -2.260 -0.157 215 HA ASN 29 HA ASN 29 16.333 -3.803 -0.546 216 HB2 ASN 29 HB2 ASN 29 14.322 -2.688 -2.503 217 HB3 ASN 29 HB1 ASN 29 15.628 -3.761 -2.994 218 HD21 ASN 29 HD21 ASN 29 15.507 -5.265 -0.481 219 HD22 ASN 29 HD22 ASN 29 14.105 -6.266 -0.600 220 H TRP 30 HN TRP 30 15.515 -0.571 -1.746 221 HA TRP 30 HA TRP 30 17.869 -0.151 -3.229 222 HB2 TRP 30 HB2 TRP 30 16.215 1.351 -3.795 223 HB3 TRP 30 HB1 TRP 30 15.698 1.574 -2.129 224 HD1 TRP 30 HD1 TRP 30 18.836 2.501 -4.244 225 HE1 TRP 30 HE1 TRP 30 19.583 4.859 -3.531 226 HE3 TRP 30 HE3 TRP 30 15.372 3.376 -0.587 227 HZ2 TRP 30 HZ2 TRP 30 18.804 6.830 -1.661 228 HZ3 TRP 30 HZ3 TRP 30 15.440 5.521 0.617 229 HH2 TRP 30 HH2 TRP 30 17.122 7.211 0.090 230 H LEU 31 HN LEU 31 17.008 0.672 0.111 231 HA LEU 31 HA LEU 31 19.381 2.038 0.746 232 HB2 LEU 31 HB2 LEU 31 17.313 0.628 2.396 233 HB3 LEU 31 HB1 LEU 31 18.732 1.346 3.139 234 HG LEU 31 HG LEU 31 16.836 2.905 1.396 235 HD11 LEU 31 HD11 LEU 31 15.849 3.762 3.450 236 HD12 LEU 31 HD12 LEU 31 16.860 2.673 4.400 237 HD13 LEU 31 HD13 LEU 31 15.626 2.017 3.325 238 HD21 LEU 31 HD21 LEU 31 17.870 4.829 2.492 239 HD22 LEU 31 HD22 LEU 31 19.066 3.852 1.641 240 HD23 LEU 31 HD23 LEU 31 18.929 3.746 3.396 241 H ASN 32 HN ASN 32 18.570 -1.359 0.690 242 HA ASN 32 HA ASN 32 20.829 -2.260 2.168 243 HB2 ASN 32 HB2 ASN 32 18.865 -3.601 0.326 244 HB3 ASN 32 HB1 ASN 32 20.260 -4.474 0.950 245 HD21 ASN 32 HD21 ASN 32 18.643 -1.996 2.788 246 HD22 ASN 32 HD22 ASN 32 17.937 -3.051 3.959 247 H LYS 33 HN LYS 33 20.432 -1.025 -0.950 248 HA LYS 33 HA LYS 33 22.750 -2.384 -2.069 249 HB2 LYS 33 HB2 LYS 33 20.691 -1.922 -3.428 250 HB3 LYS 33 HB1 LYS 33 21.045 -0.206 -3.294 251 HG2 LYS 33 HG2 LYS 33 23.151 -2.006 -4.371 252 HG3 LYS 33 HG1 LYS 33 21.774 -1.602 -5.397 253 HD2 LYS 33 HD2 LYS 33 22.237 0.802 -4.975 254 HD3 LYS 33 HD1 LYS 33 23.683 0.330 -4.083 255 HE2 LYS 33 HE2 LYS 33 24.581 -0.736 -6.084 256 HE3 LYS 33 HE1 LYS 33 23.124 -0.303 -6.978 257 HZ1 LYS 33 HZ1 LYS 33 25.064 1.608 -5.788 258 HZ2 LYS 33 HZ2 LYS 33 23.658 2.034 -6.627 259 HZ3 LYS 33 HZ3 LYS 33 24.914 1.242 -7.434 260 H ARG 34 HN ARG 34 21.767 0.795 -0.919 261 HA ARG 34 HA ARG 34 24.406 1.898 -1.491 262 HB2 ARG 34 HB2 ARG 34 23.469 4.041 -0.861 263 HB3 ARG 34 HB1 ARG 34 22.392 3.243 -1.998 264 HG2 ARG 34 HG2 ARG 34 20.853 2.679 -0.267 265 HG3 ARG 34 HG1 ARG 34 21.987 3.197 0.983 266 HD2 ARG 34 HD2 ARG 34 20.624 4.942 -1.063 267 HD3 ARG 34 HD1 ARG 34 20.302 4.895 0.670 268 HE ARG 34 HE ARG 34 23.027 5.528 0.048 269 HH11 ARG 34 HH11 ARG 34 19.818 6.840 0.417 270 HH12 ARG 34 HH12 ARG 34 20.376 8.440 0.773 271 HH21 ARG 34 HH21 ARG 34 23.768 7.627 0.517 272 HH22 ARG 34 HH22 ARG 34 22.623 8.888 0.829 273 H LYS 35 HN LYS 35 22.971 0.179 0.939 274 HA LYS 35 HA LYS 35 23.451 -0.248 3.116 275 HB2 LYS 35 HB2 LYS 35 26.080 0.921 2.212 276 HB3 LYS 35 HB1 LYS 35 25.843 0.263 3.824 277 HG2 LYS 35 HG2 LYS 35 26.845 -1.442 2.542 278 HG3 LYS 35 HG1 LYS 35 25.149 -1.891 2.723 279 HD2 LYS 35 HD2 LYS 35 24.680 -1.019 0.485 280 HD3 LYS 35 HD1 LYS 35 26.374 -0.560 0.306 281 HE2 LYS 35 HE2 LYS 35 27.037 -2.897 0.495 282 HE3 LYS 35 HE1 LYS 35 25.354 -3.368 0.725 283 HZ1 LYS 35 HZ1 LYS 35 26.473 -2.088 -1.712 284 HZ2 LYS 35 HZ2 LYS 35 24.860 -2.547 -1.493 285 HZ3 LYS 35 HZ3 LYS 35 26.072 -3.725 -1.552
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