NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574675 | 2m8j | 19259 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.285 8.547 4.742 2 HA2 GLY 1 HA2 GLY 1 -13.474 7.786 5.477 3 HA3 GLY 1 HA3 GLY 1 -13.646 9.332 6.343 4 H LEU 2 H LEU 2 -15.543 8.521 4.558 5 HA LEU 2 HA LEU 2 -16.824 9.186 2.840 6 HB2 LEU 2 HB2 LEU 2 -15.164 11.713 2.747 7 HB3 LEU 2 HB3 LEU 2 -16.795 11.493 2.136 8 HG LEU 2 HG LEU 2 -16.041 11.271 5.097 9 HD11 LEU 2 HD11 LEU 2 -17.079 13.589 3.474 10 HD12 LEU 2 HD12 LEU 2 -15.561 13.484 4.382 11 HD13 LEU 2 HD13 LEU 2 -17.098 13.522 5.266 12 HD21 LEU 2 HD21 LEU 2 -18.736 11.436 3.684 13 HD22 LEU 2 HD22 LEU 2 -18.502 11.548 5.435 14 HD23 LEU 2 HD23 LEU 2 -18.102 10.052 4.587 15 H GLU 3 H GLU 3 -14.949 7.378 2.159 16 HA GLU 3 HA GLU 3 -14.225 8.081 -0.627 17 HB2 GLU 3 HB2 GLU 3 -12.176 6.877 -0.417 18 HB3 GLU 3 HB3 GLU 3 -12.207 8.081 0.855 19 HG2 GLU 3 HG2 GLU 3 -12.845 5.118 1.270 20 HG3 GLU 3 HG3 GLU 3 -11.276 5.868 1.534 21 H HIS 4 H HIS 4 -13.446 5.456 -1.352 22 HA HIS 4 HA HIS 4 -16.009 3.964 -1.087 23 HB2 HIS 4 HB2 HIS 4 -13.994 3.915 -3.354 24 HB3 HIS 4 HB3 HIS 4 -15.502 2.999 -3.272 25 HD1 HIS 4 HD1 HIS 4 -14.471 5.682 -5.224 26 HD2 HIS 4 HD2 HIS 4 -17.566 5.240 -2.388 27 HE1 HIS 4 HE1 HIS 4 -16.107 7.535 -5.676 28 H MET 5 H MET 5 -15.491 1.473 -1.499 29 HA MET 5 HA MET 5 -13.090 0.785 0.162 30 HB2 MET 5 HB2 MET 5 -15.840 -0.503 0.155 31 HB3 MET 5 HB3 MET 5 -14.409 -1.119 1.002 32 HG2 MET 5 HG2 MET 5 -14.282 0.948 2.344 33 HG3 MET 5 HG3 MET 5 -15.670 1.608 1.478 34 HE1 MET 5 HE1 MET 5 -15.863 -1.834 4.571 35 HE2 MET 5 HE2 MET 5 -15.124 -2.107 2.980 36 HE3 MET 5 HE3 MET 5 -14.399 -0.941 4.110 37 H ALA 6 H ALA 6 -12.111 0.883 -2.134 38 HA ALA 6 HA ALA 6 -12.808 -1.341 -3.899 39 HB1 ALA 6 HB1 ALA 6 -11.984 0.845 -4.801 40 HB2 ALA 6 HB2 ALA 6 -10.457 0.619 -3.925 41 HB3 ALA 6 HB3 ALA 6 -10.895 -0.486 -5.232 42 H ASP 7 H ASP 7 -10.844 -2.798 -4.522 43 HA ASP 7 HA ASP 7 -9.965 -3.993 -2.046 44 HB2 ASP 7 HB2 ASP 7 -9.345 -4.754 -4.905 45 HB3 ASP 7 HB3 ASP 7 -8.873 -5.711 -3.510 46 H GLU 8 H GLU 8 -8.846 -1.414 -3.578 47 HA GLU 8 HA GLU 8 -5.966 -1.594 -3.537 48 HB2 GLU 8 HB2 GLU 8 -7.223 0.005 -4.925 49 HB3 GLU 8 HB3 GLU 8 -8.049 0.646 -3.500 50 HG2 GLU 8 HG2 GLU 8 -5.794 1.436 -2.643 51 HG3 GLU 8 HG3 GLU 8 -5.133 0.985 -4.223 52 H GLU 9 H GLU 9 -8.555 -0.902 -1.234 53 HA GLU 9 HA GLU 9 -6.835 0.395 0.736 54 HB2 GLU 9 HB2 GLU 9 -9.179 1.002 0.219 55 HB3 GLU 9 HB3 GLU 9 -9.733 -0.577 0.769 56 HG2 GLU 9 HG2 GLU 9 -9.184 -0.112 3.038 57 HG3 GLU 9 HG3 GLU 9 -8.135 1.248 2.595 58 H LYS 10 H LYS 10 -7.771 -2.840 0.026 59 HA LYS 10 HA LYS 10 -6.900 -3.743 2.786 60 HB2 LYS 10 HB2 LYS 10 -8.750 -5.232 0.941 61 HB3 LYS 10 HB3 LYS 10 -8.356 -5.645 2.591 62 HG2 LYS 10 HG2 LYS 10 -9.702 -4.019 3.534 63 HG3 LYS 10 HG3 LYS 10 -9.622 -2.922 2.165 64 HD2 LYS 10 HD2 LYS 10 -11.234 -5.464 2.278 65 HD3 LYS 10 HD3 LYS 10 -11.856 -3.820 2.387 66 HE2 LYS 10 HE2 LYS 10 -11.294 -3.300 0.117 67 HE3 LYS 10 HE3 LYS 10 -10.243 -4.710 -0.028 68 HZ1 LYS 10 HZ1 LYS 10 -12.054 -5.453 -1.089 69 HZ2 LYS 10 HZ2 LYS 10 -13.139 -4.659 -0.146 70 HZ3 LYS 10 HZ3 LYS 10 -12.409 -5.994 0.440 71 H LEU 11 H LEU 11 -4.747 -3.479 1.811 72 HA LEU 11 HA LEU 11 -3.783 -4.934 -0.315 73 HB2 LEU 11 HB2 LEU 11 -2.499 -3.862 2.213 74 HB3 LEU 11 HB3 LEU 11 -1.527 -4.807 1.116 75 HG LEU 11 HG LEU 11 -1.315 -2.389 0.727 76 HD11 LEU 11 HD11 LEU 11 -1.748 -2.417 -1.788 77 HD12 LEU 11 HD12 LEU 11 -2.527 -3.954 -1.615 78 HD13 LEU 11 HD13 LEU 11 -0.811 -3.773 -1.159 79 HD21 LEU 11 HD21 LEU 11 -4.199 -2.456 -0.237 80 HD22 LEU 11 HD22 LEU 11 -3.133 -1.093 -0.258 81 HD23 LEU 11 HD23 LEU 11 -3.650 -1.730 1.307 82 HA PRO 12 HA PRO 12 -3.635 -9.170 0.665 83 HB2 PRO 12 HB2 PRO 12 -1.098 -9.875 -0.374 84 HB3 PRO 12 HB3 PRO 12 -2.634 -9.796 -1.307 85 HG2 PRO 12 HG2 PRO 12 -0.364 -7.870 -1.176 86 HG3 PRO 12 HG3 PRO 12 -1.502 -8.165 -2.508 87 HD2 PRO 12 HD2 PRO 12 -1.581 -6.006 -0.787 88 HD3 PRO 12 HD3 PRO 12 -2.996 -6.604 -1.685 89 HA PRO 13 HA PRO 13 -1.215 -9.988 4.221 90 HB2 PRO 13 HB2 PRO 13 -0.284 -12.582 3.939 91 HB3 PRO 13 HB3 PRO 13 -1.957 -12.129 4.366 92 HG2 PRO 13 HG2 PRO 13 -0.898 -12.855 1.646 93 HG3 PRO 13 HG3 PRO 13 -2.392 -13.425 2.440 94 HD2 PRO 13 HD2 PRO 13 -2.421 -11.427 0.630 95 HD3 PRO 13 HD3 PRO 13 -3.477 -11.354 2.073 96 H GLY 14 H GLY 14 0.679 -9.501 4.814 97 HA2 GLY 14 HA2 GLY 14 3.021 -9.296 4.931 98 HA3 GLY 14 HA3 GLY 14 3.155 -9.791 3.247 99 H TRP 15 H TRP 15 1.022 -7.801 2.348 100 HA TRP 15 HA TRP 15 2.904 -5.564 2.131 101 HB2 TRP 15 HB2 TRP 15 0.334 -6.256 0.708 102 HB3 TRP 15 HB3 TRP 15 1.230 -4.779 0.444 103 HD1 TRP 15 HD1 TRP 15 1.599 -8.576 -0.143 104 HE1 TRP 15 HE1 TRP 15 3.303 -8.922 -2.080 105 HE3 TRP 15 HE3 TRP 15 3.327 -3.819 -0.542 106 HZ2 TRP 15 HZ2 TRP 15 5.181 -7.339 -3.521 107 HZ3 TRP 15 HZ3 TRP 15 5.042 -3.222 -2.221 108 HH2 TRP 15 HH2 TRP 15 6.020 -4.969 -3.702 109 H GLU 16 H GLU 16 2.385 -3.467 2.576 110 HA GLU 16 HA GLU 16 0.047 -2.779 4.277 111 HB2 GLU 16 HB2 GLU 16 3.035 -2.288 4.717 112 HB3 GLU 16 HB3 GLU 16 1.782 -1.363 5.537 113 HG2 GLU 16 HG2 GLU 16 1.283 -4.233 5.852 114 HG3 GLU 16 HG3 GLU 16 2.920 -3.819 6.344 115 H LYS 17 H LYS 17 -0.851 -0.884 3.515 116 HA LYS 17 HA LYS 17 0.468 0.626 1.344 117 HB2 LYS 17 HB2 LYS 17 -1.858 0.042 1.109 118 HB3 LYS 17 HB3 LYS 17 -2.262 0.725 2.688 119 HG2 LYS 17 HG2 LYS 17 -1.655 3.015 1.827 120 HG3 LYS 17 HG3 LYS 17 -1.319 2.307 0.246 121 HD2 LYS 17 HD2 LYS 17 -3.696 1.417 0.190 122 HD3 LYS 17 HD3 LYS 17 -3.987 2.175 1.770 123 HE2 LYS 17 HE2 LYS 17 -3.537 4.377 0.858 124 HE3 LYS 17 HE3 LYS 17 -3.097 3.686 -0.710 125 HZ1 LYS 17 HZ1 LYS 17 -5.811 3.574 0.507 126 HZ2 LYS 17 HZ2 LYS 17 -5.393 2.872 -0.924 127 HZ3 LYS 17 HZ3 LYS 17 -5.351 4.488 -0.763 128 H ARG 18 H ARG 18 1.950 2.100 2.033 129 HA ARG 18 HA ARG 18 1.170 3.788 4.363 130 HB2 ARG 18 HB2 ARG 18 4.041 3.105 3.664 131 HB3 ARG 18 HB3 ARG 18 3.403 3.814 5.130 132 HG2 ARG 18 HG2 ARG 18 2.122 1.433 5.279 133 HG3 ARG 18 HG3 ARG 18 3.443 0.920 4.245 134 HD2 ARG 18 HD2 ARG 18 5.070 1.792 5.896 135 HD3 ARG 18 HD3 ARG 18 3.743 2.283 6.952 136 HE ARG 18 HE ARG 18 3.106 0.024 7.317 137 HH11 ARG 18 HH11 ARG 18 6.450 0.440 6.102 138 HH12 ARG 18 HH12 ARG 18 6.918 -1.161 6.603 139 HH21 ARG 18 HH21 ARG 18 3.831 -2.075 7.920 140 HH22 ARG 18 HH22 ARG 18 5.500 -2.533 7.636 141 H MET 19 H MET 19 2.923 5.768 4.338 142 HA MET 19 HA MET 19 2.960 6.882 1.620 143 HB2 MET 19 HB2 MET 19 0.969 7.657 2.900 144 HB3 MET 19 HB3 MET 19 2.044 8.298 4.153 145 HG2 MET 19 HG2 MET 19 3.079 9.770 2.482 146 HG3 MET 19 HG3 MET 19 1.976 9.136 1.235 147 HE1 MET 19 HE1 MET 19 -0.387 12.039 1.292 148 HE2 MET 19 HE2 MET 19 1.339 12.327 1.186 149 HE3 MET 19 HE3 MET 19 0.619 10.908 0.368 150 H GLU 20 H GLU 20 4.791 8.031 1.157 151 HA GLU 20 HA GLU 20 7.064 7.672 2.890 152 HB2 GLU 20 HB2 GLU 20 6.530 9.112 0.259 153 HB3 GLU 20 HB3 GLU 20 8.081 9.309 1.087 154 HG2 GLU 20 HG2 GLU 20 6.958 6.572 0.445 155 HG3 GLU 20 HG3 GLU 20 7.923 7.515 -0.693 156 H ARG 21 H ARG 21 7.915 9.023 4.393 157 HA ARG 21 HA ARG 21 6.458 11.462 5.037 158 HB2 ARG 21 HB2 ARG 21 8.868 9.962 6.139 159 HB3 ARG 21 HB3 ARG 21 8.612 11.627 6.633 160 HG2 ARG 21 HG2 ARG 21 6.509 9.434 6.956 161 HG3 ARG 21 HG3 ARG 21 7.633 9.980 8.214 162 HD2 ARG 21 HD2 ARG 21 6.778 12.344 7.723 163 HD3 ARG 21 HD3 ARG 21 5.412 11.585 6.884 164 HE ARG 21 HE ARG 21 5.304 10.362 9.305 165 HH11 ARG 21 HH11 ARG 21 5.499 13.838 8.345 166 HH12 ARG 21 HH12 ARG 21 4.880 14.338 9.905 167 HH21 ARG 21 HH21 ARG 21 4.595 11.163 11.307 168 HH22 ARG 21 HH22 ARG 21 4.252 12.870 11.486 169 H SER 22 H SER 22 9.242 10.691 3.070 170 HA SER 22 HA SER 22 10.464 13.247 3.167 171 HB2 SER 22 HB2 SER 22 11.154 10.838 2.174 172 HB3 SER 22 HB3 SER 22 10.669 11.615 0.661 173 HG SER 22 HG SER 22 12.922 11.758 1.727 174 H SER 23 H SER 23 8.268 11.940 0.510 175 HA SER 23 HA SER 23 7.718 14.800 -0.208 176 HB2 SER 23 HB2 SER 23 7.238 12.304 -1.871 177 HB3 SER 23 HB3 SER 23 7.137 13.983 -2.388 178 HG SER 23 HG SER 23 9.362 12.393 -1.774 179 H GLY 24 H GLY 24 6.116 12.001 1.200 180 HA2 GLY 24 HA2 GLY 24 3.913 11.893 1.900 181 HA3 GLY 24 HA3 GLY 24 3.591 13.457 1.145 182 H ARG 25 H ARG 25 4.596 10.106 0.169 183 HA ARG 25 HA ARG 25 2.589 10.258 -2.009 184 HB2 ARG 25 HB2 ARG 25 5.155 10.618 -2.675 185 HB3 ARG 25 HB3 ARG 25 5.237 8.870 -2.472 186 HG2 ARG 25 HG2 ARG 25 4.675 9.156 -4.772 187 HG3 ARG 25 HG3 ARG 25 3.131 8.762 -3.989 188 HD2 ARG 25 HD2 ARG 25 2.748 10.600 -5.503 189 HD3 ARG 25 HD3 ARG 25 2.622 11.214 -3.860 190 HE ARG 25 HE ARG 25 5.274 11.511 -5.012 191 HH11 ARG 25 HH11 ARG 25 2.000 12.993 -4.877 192 HH12 ARG 25 HH12 ARG 25 2.580 14.528 -5.426 193 HH21 ARG 25 HH21 ARG 25 6.014 13.681 -5.384 194 HH22 ARG 25 HH22 ARG 25 4.860 14.932 -5.668 195 H VAL 26 H VAL 26 1.243 8.557 -1.950 196 HA VAL 26 HA VAL 26 1.642 6.558 0.114 197 HB VAL 26 HB VAL 26 -0.621 6.851 -1.877 198 HG11 VAL 26 HG11 VAL 26 -0.460 5.358 0.790 199 HG12 VAL 26 HG12 VAL 26 -1.916 5.581 -0.203 200 HG13 VAL 26 HG13 VAL 26 -0.571 4.603 -0.816 201 HG21 VAL 26 HG21 VAL 26 -1.785 7.988 0.009 202 HG22 VAL 26 HG22 VAL 26 -0.306 7.899 0.976 203 HG23 VAL 26 HG23 VAL 26 -0.360 8.884 -0.497 204 H TYR 27 H TYR 27 1.933 4.291 -0.213 205 HA TYR 27 HA TYR 27 2.292 3.186 -2.855 206 HB2 TYR 27 HB2 TYR 27 4.627 2.764 -2.713 207 HB3 TYR 27 HB3 TYR 27 4.436 4.477 -2.429 208 HD1 TYR 27 HD2 TYR 27 4.279 5.216 0.156 209 HD2 TYR 27 HD1 TYR 27 6.041 1.573 -1.318 210 HE1 TYR 27 HE2 TYR 27 5.505 4.980 2.271 211 HE2 TYR 27 HE1 TYR 27 7.297 1.329 0.798 212 HH TYR 27 HH TYR 27 7.196 3.794 3.390 213 H TYR 28 H TYR 28 3.535 0.862 -2.265 214 HA TYR 28 HA TYR 28 2.142 -0.242 0.117 215 HB2 TYR 28 HB2 TYR 28 2.721 -1.644 -2.516 216 HB3 TYR 28 HB3 TYR 28 1.838 -2.280 -1.138 217 HD1 TYR 28 HD1 TYR 28 -0.149 -0.548 -0.335 218 HD2 TYR 28 HD2 TYR 28 1.390 -0.959 -4.328 219 HE1 TYR 28 HE1 TYR 28 -2.195 0.536 -1.217 220 HE2 TYR 28 HE2 TYR 28 -0.665 0.088 -5.227 221 HH TYR 28 HH TYR 28 -2.365 1.607 -4.608 222 H PHE 29 H PHE 29 3.414 -1.678 1.397 223 HA PHE 29 HA PHE 29 6.253 -2.104 0.617 224 HB2 PHE 29 HB2 PHE 29 6.047 -0.171 2.192 225 HB3 PHE 29 HB3 PHE 29 5.254 -1.230 3.356 226 HD1 PHE 29 HD2 PHE 29 6.581 -3.193 4.351 227 HD2 PHE 29 HD1 PHE 29 8.432 -0.180 1.864 228 HE1 PHE 29 HE2 PHE 29 8.839 -3.997 4.996 229 HE2 PHE 29 HE1 PHE 29 10.661 -0.975 2.552 230 HZ PHE 29 HZ PHE 29 10.871 -2.858 4.130 231 H ASN 30 H ASN 30 6.777 -4.189 0.804 232 HA ASN 30 HA ASN 30 4.915 -6.096 2.116 233 HB2 ASN 30 HB2 ASN 30 5.725 -6.478 -0.204 234 HB3 ASN 30 HB3 ASN 30 7.345 -6.698 0.428 235 HD21 ASN 30 HD21 ASN 30 6.521 -8.906 -0.894 236 HD22 ASN 30 HD22 ASN 30 5.964 -10.122 0.217 237 H HIS 31 H HIS 31 5.374 -6.234 4.304 238 HA HIS 31 HA HIS 31 8.055 -5.840 5.326 239 HB2 HIS 31 HB2 HIS 31 7.166 -6.253 7.463 240 HB3 HIS 31 HB3 HIS 31 5.964 -5.311 6.588 241 HD1 HIS 31 HD1 HIS 31 6.545 -9.069 7.639 242 HD2 HIS 31 HD2 HIS 31 3.567 -6.342 6.415 243 HE1 HIS 31 HE1 HIS 31 4.362 -10.220 7.983 244 H ILE 32 H ILE 32 6.526 -8.596 3.953 245 HA ILE 32 HA ILE 32 7.862 -10.626 5.510 246 HB ILE 32 HB ILE 32 6.533 -10.667 2.785 247 HG12 ILE 32 HG12 ILE 32 5.788 -11.998 5.424 248 HG13 ILE 32 HG13 ILE 32 5.147 -10.444 4.881 249 HG21 ILE 32 HG21 ILE 32 6.749 -13.135 2.772 250 HG22 ILE 32 HG22 ILE 32 8.254 -12.294 2.537 251 HG23 ILE 32 HG23 ILE 32 7.881 -13.017 4.133 252 HD11 ILE 32 HD11 ILE 32 3.509 -12.110 4.362 253 HD12 ILE 32 HD12 ILE 32 4.235 -11.584 2.825 254 HD13 ILE 32 HD13 ILE 32 4.695 -13.133 3.545 255 H THR 33 H THR 33 8.611 -9.015 2.390 256 HA THR 33 HA THR 33 11.330 -10.241 2.615 257 HB THR 33 HB THR 33 9.707 -11.098 0.868 258 HG1 THR 33 HG1 THR 33 12.184 -10.129 -0.039 259 HG21 THR 33 HG21 THR 33 8.881 -8.898 0.103 260 HG22 THR 33 HG22 THR 33 9.510 -9.895 -1.209 261 HG23 THR 33 HG23 THR 33 10.496 -8.568 -0.578 262 H ASN 34 H ASN 34 9.884 -7.450 3.271 263 HA ASN 34 HA ASN 34 10.570 -5.312 3.445 264 HB2 ASN 34 HB2 ASN 34 12.630 -6.658 4.329 265 HB3 ASN 34 HB3 ASN 34 13.395 -6.204 2.830 266 HD21 ASN 34 HD21 ASN 34 12.291 -5.247 5.929 267 HD22 ASN 34 HD22 ASN 34 12.792 -3.567 5.951 268 H ALA 35 H ALA 35 9.364 -5.739 1.238 269 HA ALA 35 HA ALA 35 10.928 -4.443 -0.959 270 HB1 ALA 35 HB1 ALA 35 8.735 -6.565 -1.109 271 HB2 ALA 35 HB2 ALA 35 9.260 -5.618 -2.488 272 HB3 ALA 35 HB3 ALA 35 10.418 -6.676 -1.665 273 H SER 36 H SER 36 9.218 -3.349 -2.510 274 HA SER 36 HA SER 36 6.830 -2.374 -1.340 275 HB2 SER 36 HB2 SER 36 7.462 -0.108 -1.020 276 HB3 SER 36 HB3 SER 36 8.704 -1.109 -0.286 277 HG SER 36 HG SER 36 9.782 0.382 -1.259 278 H GLN 37 H GLN 37 5.597 -1.085 -2.887 279 HA GLN 37 HA GLN 37 6.689 -0.604 -5.456 280 HB2 GLN 37 HB2 GLN 37 4.873 -3.006 -4.980 281 HB3 GLN 37 HB3 GLN 37 4.563 -2.056 -6.412 282 HG2 GLN 37 HG2 GLN 37 7.346 -2.460 -6.519 283 HG3 GLN 37 HG3 GLN 37 6.705 -3.998 -5.938 284 HE21 GLN 37 HE21 GLN 37 4.927 -5.011 -7.340 285 HE22 GLN 37 HE22 GLN 37 4.777 -4.494 -9.018 286 H TRP 38 H TRP 38 4.811 0.276 -6.881 287 HA TRP 38 HA TRP 38 2.991 1.930 -5.219 288 HB2 TRP 38 HB2 TRP 38 3.810 2.356 -8.104 289 HB3 TRP 38 HB3 TRP 38 3.000 3.492 -7.034 290 HD1 TRP 38 HD1 TRP 38 6.377 1.886 -7.709 291 HE1 TRP 38 HE1 TRP 38 8.247 3.315 -6.687 292 HE3 TRP 38 HE3 TRP 38 3.506 5.182 -5.066 293 HZ2 TRP 38 HZ2 TRP 38 8.467 5.459 -4.732 294 HZ3 TRP 38 HZ3 TRP 38 4.551 6.866 -3.603 295 HH2 TRP 38 HH2 TRP 38 7.024 7.019 -3.413 296 H GLU 39 H GLU 39 3.099 -0.507 -7.791 297 HA GLU 39 HA GLU 39 0.299 -0.162 -8.507 298 HB2 GLU 39 HB2 GLU 39 0.707 -2.092 -9.964 299 HB3 GLU 39 HB3 GLU 39 1.931 -0.828 -10.185 300 HG2 GLU 39 HG2 GLU 39 3.549 -2.114 -8.849 301 HG3 GLU 39 HG3 GLU 39 2.335 -3.374 -8.553 302 H ARG 40 H ARG 40 -1.398 -1.692 -7.997 303 HA ARG 40 HA ARG 40 -1.415 -2.611 -5.361 304 HB2 ARG 40 HB2 ARG 40 -3.153 -3.112 -7.770 305 HB3 ARG 40 HB3 ARG 40 -3.438 -4.020 -6.288 306 HG2 ARG 40 HG2 ARG 40 -3.962 -2.072 -5.030 307 HG3 ARG 40 HG3 ARG 40 -3.236 -0.995 -6.223 308 HD2 ARG 40 HD2 ARG 40 -5.698 -0.897 -6.340 309 HD3 ARG 40 HD3 ARG 40 -5.011 -1.510 -7.845 310 HE ARG 40 HE ARG 40 -5.662 -3.654 -6.052 311 HH11 ARG 40 HH11 ARG 40 -7.426 -1.309 -8.020 312 HH12 ARG 40 HH12 ARG 40 -8.737 -2.372 -8.425 313 HH21 ARG 40 HH21 ARG 40 -7.301 -5.115 -6.601 314 HH22 ARG 40 HH22 ARG 40 -8.742 -4.584 -7.386 315 HA PRO 41 HA PRO 41 1.020 -6.410 -6.093 316 HB2 PRO 41 HB2 PRO 41 1.325 -7.180 -3.509 317 HB3 PRO 41 HB3 PRO 41 2.206 -5.798 -4.210 318 HG2 PRO 41 HG2 PRO 41 -0.345 -5.766 -2.595 319 HG3 PRO 41 HG3 PRO 41 1.109 -4.775 -2.307 320 HD2 PRO 41 HD2 PRO 41 -1.046 -3.835 -3.683 321 HD3 PRO 41 HD3 PRO 41 0.615 -3.385 -4.150 322 H SER 42 H SER 42 0.741 -8.769 -5.171 323 HA SER 42 HA SER 42 -1.978 -9.455 -4.461 324 HB2 SER 42 HB2 SER 42 -1.854 -11.192 -6.406 325 HB3 SER 42 HB3 SER 42 -2.321 -9.528 -6.776 326 HG SER 42 HG SER 42 -0.533 -9.184 -7.830 327 H GLY 43 H GLY 43 -1.798 -10.802 -2.911 328 HA2 GLY 43 HA2 GLY 43 0.607 -12.531 -2.477 329 HA3 GLY 43 HA3 GLY 43 -0.612 -12.107 -1.245 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -24.202 0.888 4.912 2 HA2 GLY 1 HA2 GLY 1 -24.282 2.927 6.275 3 HA3 GLY 1 HA3 GLY 1 -22.684 2.486 6.898 4 H LEU 2 H LEU 2 -20.892 2.302 5.237 5 HA LEU 2 HA LEU 2 -20.887 4.679 3.551 6 HB2 LEU 2 HB2 LEU 2 -18.832 2.472 4.037 7 HB3 LEU 2 HB3 LEU 2 -18.665 3.781 2.867 8 HG LEU 2 HG LEU 2 -18.918 5.448 4.746 9 HD11 LEU 2 HD11 LEU 2 -18.281 4.693 7.015 10 HD12 LEU 2 HD12 LEU 2 -18.307 2.995 6.476 11 HD13 LEU 2 HD13 LEU 2 -19.802 3.952 6.544 12 HD21 LEU 2 HD21 LEU 2 -16.549 5.205 5.337 13 HD22 LEU 2 HD22 LEU 2 -16.826 4.914 3.635 14 HD23 LEU 2 HD23 LEU 2 -16.549 3.526 4.715 15 H GLU 3 H GLU 3 -22.207 4.483 1.776 16 HA GLU 3 HA GLU 3 -22.500 1.999 0.323 17 HB2 GLU 3 HB2 GLU 3 -23.341 4.865 -0.198 18 HB3 GLU 3 HB3 GLU 3 -23.778 3.513 -1.263 19 HG2 GLU 3 HG2 GLU 3 -25.102 2.457 0.369 20 HG3 GLU 3 HG3 GLU 3 -24.395 3.350 1.704 21 H HIS 4 H HIS 4 -20.931 5.132 -0.381 22 HA HIS 4 HA HIS 4 -19.719 4.405 -2.819 23 HB2 HIS 4 HB2 HIS 4 -18.503 6.574 -2.422 24 HB3 HIS 4 HB3 HIS 4 -20.248 6.661 -2.212 25 HD1 HIS 4 HD1 HIS 4 -21.058 7.644 0.058 26 HD2 HIS 4 HD2 HIS 4 -17.063 6.271 0.059 27 HE1 HIS 4 HE1 HIS 4 -20.134 8.015 2.436 28 H MET 5 H MET 5 -18.702 3.042 0.107 29 HA MET 5 HA MET 5 -15.844 3.537 -0.126 30 HB2 MET 5 HB2 MET 5 -15.525 1.836 1.520 31 HB3 MET 5 HB3 MET 5 -16.955 2.733 1.999 32 HG2 MET 5 HG2 MET 5 -18.385 0.936 1.028 33 HG3 MET 5 HG3 MET 5 -16.951 0.074 0.504 34 HE1 MET 5 HE1 MET 5 -16.287 -1.967 1.566 35 HE2 MET 5 HE2 MET 5 -17.165 -2.578 2.978 36 HE3 MET 5 HE3 MET 5 -18.063 -2.047 1.536 37 H ALA 6 H ALA 6 -14.256 1.641 -0.430 38 HA ALA 6 HA ALA 6 -15.121 -0.286 -2.463 39 HB1 ALA 6 HB1 ALA 6 -14.242 1.590 -3.752 40 HB2 ALA 6 HB2 ALA 6 -12.757 1.619 -2.762 41 HB3 ALA 6 HB3 ALA 6 -13.113 0.244 -3.836 42 H ASP 7 H ASP 7 -13.255 -1.853 -2.837 43 HA ASP 7 HA ASP 7 -11.775 -2.329 -0.288 44 HB2 ASP 7 HB2 ASP 7 -13.749 -3.922 -0.932 45 HB3 ASP 7 HB3 ASP 7 -12.575 -4.619 -2.064 46 H GLU 8 H GLU 8 -11.457 -1.911 -3.695 47 HA GLU 8 HA GLU 8 -8.997 -3.205 -4.156 48 HB2 GLU 8 HB2 GLU 8 -8.800 -1.564 -5.996 49 HB3 GLU 8 HB3 GLU 8 -10.401 -2.290 -5.910 50 HG2 GLU 8 HG2 GLU 8 -11.445 -0.316 -5.596 51 HG3 GLU 8 HG3 GLU 8 -10.314 0.235 -4.381 52 H GLU 9 H GLU 9 -9.711 -0.553 -2.199 53 HA GLU 9 HA GLU 9 -7.196 0.908 -2.215 54 HB2 GLU 9 HB2 GLU 9 -9.740 1.591 -1.933 55 HB3 GLU 9 HB3 GLU 9 -9.488 1.143 -0.253 56 HG2 GLU 9 HG2 GLU 9 -7.849 2.935 -0.006 57 HG3 GLU 9 HG3 GLU 9 -7.767 3.162 -1.765 58 H LYS 10 H LYS 10 -8.210 -2.034 -0.830 59 HA LYS 10 HA LYS 10 -6.601 -1.749 1.637 60 HB2 LYS 10 HB2 LYS 10 -8.553 -3.890 0.674 61 HB3 LYS 10 HB3 LYS 10 -7.636 -3.976 2.169 62 HG2 LYS 10 HG2 LYS 10 -9.508 -1.650 1.548 63 HG3 LYS 10 HG3 LYS 10 -10.050 -3.132 2.328 64 HD2 LYS 10 HD2 LYS 10 -8.610 -2.815 4.217 65 HD3 LYS 10 HD3 LYS 10 -7.719 -1.493 3.443 66 HE2 LYS 10 HE2 LYS 10 -9.535 -0.017 3.512 67 HE3 LYS 10 HE3 LYS 10 -10.704 -1.317 3.840 68 HZ1 LYS 10 HZ1 LYS 10 -10.049 0.106 5.767 69 HZ2 LYS 10 HZ2 LYS 10 -8.597 -0.703 5.796 70 HZ3 LYS 10 HZ3 LYS 10 -10.028 -1.508 5.986 71 H LEU 11 H LEU 11 -4.478 -2.099 1.264 72 HA LEU 11 HA LEU 11 -3.553 -3.723 -0.855 73 HB2 LEU 11 HB2 LEU 11 -2.372 -2.574 1.701 74 HB3 LEU 11 HB3 LEU 11 -1.413 -3.689 0.759 75 HG LEU 11 HG LEU 11 -0.969 -1.350 0.251 76 HD11 LEU 11 HD11 LEU 11 -0.489 -3.085 -1.443 77 HD12 LEU 11 HD12 LEU 11 -0.970 -1.579 -2.245 78 HD13 LEU 11 HD13 LEU 11 -2.113 -2.873 -2.143 79 HD21 LEU 11 HD21 LEU 11 -3.751 -1.196 -0.977 80 HD22 LEU 11 HD22 LEU 11 -2.529 0.011 -1.122 81 HD23 LEU 11 HD23 LEU 11 -3.178 -0.336 0.478 82 HA PRO 12 HA PRO 12 -3.965 -7.800 0.631 83 HB2 PRO 12 HB2 PRO 12 -1.666 -9.053 -0.301 84 HB3 PRO 12 HB3 PRO 12 -3.072 -8.604 -1.309 85 HG2 PRO 12 HG2 PRO 12 -0.463 -7.157 -0.904 86 HG3 PRO 12 HG3 PRO 12 -1.355 -7.402 -2.423 87 HD2 PRO 12 HD2 PRO 12 -1.427 -5.091 -0.973 88 HD3 PRO 12 HD3 PRO 12 -2.824 -5.632 -1.937 89 HA PRO 13 HA PRO 13 -1.896 -8.492 4.396 90 HB2 PRO 13 HB2 PRO 13 -1.635 -11.222 4.614 91 HB3 PRO 13 HB3 PRO 13 -3.179 -10.322 4.717 92 HG2 PRO 13 HG2 PRO 13 -2.075 -11.726 2.306 93 HG3 PRO 13 HG3 PRO 13 -3.730 -11.808 3.012 94 HD2 PRO 13 HD2 PRO 13 -3.151 -10.195 0.934 95 HD3 PRO 13 HD3 PRO 13 -4.276 -9.654 2.200 96 H GLY 14 H GLY 14 0.034 -7.816 4.752 97 HA2 GLY 14 HA2 GLY 14 2.369 -8.457 5.241 98 HA3 GLY 14 HA3 GLY 14 2.448 -9.134 3.593 99 H TRP 15 H TRP 15 0.826 -7.004 2.381 100 HA TRP 15 HA TRP 15 3.004 -5.115 2.088 101 HB2 TRP 15 HB2 TRP 15 0.415 -5.569 0.578 102 HB3 TRP 15 HB3 TRP 15 1.506 -4.277 0.222 103 HD1 TRP 15 HD1 TRP 15 1.391 -8.072 -0.137 104 HE1 TRP 15 HE1 TRP 15 3.248 -8.757 -1.766 105 HE3 TRP 15 HE3 TRP 15 3.761 -3.588 -0.563 106 HZ2 TRP 15 HZ2 TRP 15 5.270 -7.416 -3.367 107 HZ3 TRP 15 HZ3 TRP 15 5.622 -3.285 -2.207 108 HH2 TRP 15 HH2 TRP 15 6.390 -5.204 -3.598 109 H GLU 16 H GLU 16 2.807 -2.942 2.511 110 HA GLU 16 HA GLU 16 0.364 -1.855 3.845 111 HB2 GLU 16 HB2 GLU 16 3.294 -1.934 4.653 112 HB3 GLU 16 HB3 GLU 16 2.154 -0.763 5.348 113 HG2 GLU 16 HG2 GLU 16 1.155 -3.572 5.491 114 HG3 GLU 16 HG3 GLU 16 2.676 -3.347 6.307 115 H LYS 17 H LYS 17 -0.218 -0.072 2.870 116 HA LYS 17 HA LYS 17 1.424 1.399 0.982 117 HB2 LYS 17 HB2 LYS 17 -0.994 1.119 0.657 118 HB3 LYS 17 HB3 LYS 17 -1.316 1.925 2.199 119 HG2 LYS 17 HG2 LYS 17 -0.359 4.042 1.314 120 HG3 LYS 17 HG3 LYS 17 -0.031 3.265 -0.241 121 HD2 LYS 17 HD2 LYS 17 -2.388 2.961 -0.689 122 HD3 LYS 17 HD3 LYS 17 -2.810 3.215 1.007 123 HE2 LYS 17 HE2 LYS 17 -2.010 5.588 0.806 124 HE3 LYS 17 HE3 LYS 17 -1.828 5.324 -0.944 125 HZ1 LYS 17 HZ1 LYS 17 -4.147 4.999 -1.145 126 HZ2 LYS 17 HZ2 LYS 17 -3.961 6.333 -0.206 127 HZ3 LYS 17 HZ3 LYS 17 -4.392 4.891 0.465 128 H ARG 18 H ARG 18 3.097 2.561 1.755 129 HA ARG 18 HA ARG 18 2.604 4.349 4.106 130 HB2 ARG 18 HB2 ARG 18 5.127 2.979 3.120 131 HB3 ARG 18 HB3 ARG 18 5.058 4.046 4.521 132 HG2 ARG 18 HG2 ARG 18 3.566 1.382 4.309 133 HG3 ARG 18 HG3 ARG 18 5.112 1.631 5.077 134 HD2 ARG 18 HD2 ARG 18 4.025 3.336 6.600 135 HD3 ARG 18 HD3 ARG 18 2.475 2.968 5.844 136 HE ARG 18 HE ARG 18 2.341 0.943 6.956 137 HH11 ARG 18 HH11 ARG 18 5.493 2.469 7.678 138 HH12 ARG 18 HH12 ARG 18 5.954 1.245 8.801 139 HH21 ARG 18 HH21 ARG 18 2.987 -0.671 8.515 140 HH22 ARG 18 HH22 ARG 18 4.577 -0.517 9.228 141 H MET 19 H MET 19 4.473 6.112 4.002 142 HA MET 19 HA MET 19 4.726 7.138 1.247 143 HB2 MET 19 HB2 MET 19 2.738 8.185 2.256 144 HB3 MET 19 HB3 MET 19 3.722 8.730 3.640 145 HG2 MET 19 HG2 MET 19 5.078 10.099 2.222 146 HG3 MET 19 HG3 MET 19 4.379 9.395 0.759 147 HE1 MET 19 HE1 MET 19 2.640 10.837 4.058 148 HE2 MET 19 HE2 MET 19 4.000 11.907 3.640 149 HE3 MET 19 HE3 MET 19 2.334 12.487 3.471 150 H GLU 20 H GLU 20 6.658 8.057 0.823 151 HA GLU 20 HA GLU 20 8.788 7.569 2.695 152 HB2 GLU 20 HB2 GLU 20 8.671 9.047 0.031 153 HB3 GLU 20 HB3 GLU 20 10.172 8.862 0.939 154 HG2 GLU 20 HG2 GLU 20 8.481 6.530 -0.004 155 HG3 GLU 20 HG3 GLU 20 9.814 7.248 -0.910 156 H ARG 21 H ARG 21 9.758 8.892 4.159 157 HA ARG 21 HA ARG 21 8.483 11.430 4.730 158 HB2 ARG 21 HB2 ARG 21 9.681 9.656 6.316 159 HB3 ARG 21 HB3 ARG 21 11.144 10.527 5.874 160 HG2 ARG 21 HG2 ARG 21 10.416 11.551 7.873 161 HG3 ARG 21 HG3 ARG 21 9.923 12.681 6.623 162 HD2 ARG 21 HD2 ARG 21 8.100 12.467 8.158 163 HD3 ARG 21 HD3 ARG 21 7.613 11.655 6.683 164 HE ARG 21 HE ARG 21 8.880 9.988 8.766 165 HH11 ARG 21 HH11 ARG 21 5.745 10.641 7.150 166 HH12 ARG 21 HH12 ARG 21 4.877 9.744 8.386 167 HH21 ARG 21 HH21 ARG 21 7.795 8.576 9.961 168 HH22 ARG 21 HH22 ARG 21 6.054 8.390 9.864 169 H SER 22 H SER 22 11.373 10.544 2.923 170 HA SER 22 HA SER 22 12.701 13.031 3.067 171 HB2 SER 22 HB2 SER 22 13.452 10.657 2.317 172 HB3 SER 22 HB3 SER 22 12.881 11.124 0.715 173 HG SER 22 HG SER 22 15.110 11.428 1.261 174 H SER 23 H SER 23 10.289 11.855 0.677 175 HA SER 23 HA SER 23 10.095 14.647 -0.380 176 HB2 SER 23 HB2 SER 23 9.681 12.209 -2.084 177 HB3 SER 23 HB3 SER 23 10.022 13.871 -2.579 178 HG SER 23 HG SER 23 11.901 12.776 -2.825 179 H GLY 24 H GLY 24 8.263 11.931 0.901 180 HA2 GLY 24 HA2 GLY 24 6.026 11.989 1.473 181 HA3 GLY 24 HA3 GLY 24 5.862 13.537 0.637 182 H ARG 25 H ARG 25 6.927 10.215 -0.323 183 HA ARG 25 HA ARG 25 5.054 10.413 -2.640 184 HB2 ARG 25 HB2 ARG 25 7.606 10.519 -3.046 185 HB3 ARG 25 HB3 ARG 25 7.611 8.803 -2.630 186 HG2 ARG 25 HG2 ARG 25 7.251 8.546 -4.884 187 HG3 ARG 25 HG3 ARG 25 5.569 8.712 -4.372 188 HD2 ARG 25 HD2 ARG 25 5.634 10.158 -6.170 189 HD3 ARG 25 HD3 ARG 25 5.957 11.275 -4.856 190 HE ARG 25 HE ARG 25 8.298 11.317 -5.450 191 HH11 ARG 25 HH11 ARG 25 6.589 9.198 -7.747 192 HH12 ARG 25 HH12 ARG 25 7.609 9.628 -9.070 193 HH21 ARG 25 HH21 ARG 25 9.798 11.639 -7.224 194 HH22 ARG 25 HH22 ARG 25 9.474 10.818 -8.711 195 H VAL 26 H VAL 26 3.429 8.983 -2.438 196 HA VAL 26 HA VAL 26 3.386 7.026 -0.322 197 HB VAL 26 HB VAL 26 1.428 7.351 -2.620 198 HG11 VAL 26 HG11 VAL 26 1.113 5.263 -1.348 199 HG12 VAL 26 HG12 VAL 26 1.164 6.157 0.188 200 HG13 VAL 26 HG13 VAL 26 -0.168 6.417 -0.954 201 HG21 VAL 26 HG21 VAL 26 0.122 8.782 -1.066 202 HG22 VAL 26 HG22 VAL 26 1.454 8.718 0.116 203 HG23 VAL 26 HG23 VAL 26 1.669 9.517 -1.449 204 H TYR 27 H TYR 27 3.490 4.702 -0.562 205 HA TYR 27 HA TYR 27 4.073 3.512 -3.110 206 HB2 TYR 27 HB2 TYR 27 6.305 2.802 -2.622 207 HB3 TYR 27 HB3 TYR 27 6.259 4.527 -2.371 208 HD1 TYR 27 HD2 TYR 27 6.008 5.458 0.010 209 HD2 TYR 27 HD1 TYR 27 7.192 1.434 -0.905 210 HE1 TYR 27 HE2 TYR 27 6.970 5.239 2.276 211 HE2 TYR 27 HE1 TYR 27 8.157 1.189 1.332 212 HH TYR 27 HH TYR 27 8.139 2.169 3.625 213 H TYR 28 H TYR 28 4.788 1.046 -2.477 214 HA TYR 28 HA TYR 28 3.063 0.173 -0.208 215 HB2 TYR 28 HB2 TYR 28 3.628 -1.195 -2.865 216 HB3 TYR 28 HB3 TYR 28 2.673 -1.825 -1.553 217 HD1 TYR 28 HD1 TYR 28 0.924 0.373 -0.721 218 HD2 TYR 28 HD2 TYR 28 2.208 -0.713 -4.661 219 HE1 TYR 28 HE1 TYR 28 -1.097 1.405 -1.621 220 HE2 TYR 28 HE2 TYR 28 0.163 0.330 -5.616 221 HH TYR 28 HH TYR 28 -1.472 2.541 -4.469 222 H PHE 29 H PHE 29 3.958 -1.330 1.177 223 HA PHE 29 HA PHE 29 6.794 -2.162 0.682 224 HB2 PHE 29 HB2 PHE 29 6.680 -0.187 2.221 225 HB3 PHE 29 HB3 PHE 29 5.680 -1.124 3.316 226 HD1 PHE 29 HD1 PHE 29 9.090 -0.677 1.937 227 HD2 PHE 29 HD2 PHE 29 6.646 -3.135 4.524 228 HE1 PHE 29 HE1 PHE 29 11.098 -1.784 2.806 229 HE2 PHE 29 HE2 PHE 29 8.691 -4.188 5.427 230 HZ PHE 29 HZ PHE 29 10.931 -3.475 4.596 231 H ASN 30 H ASN 30 7.072 -4.248 0.960 232 HA ASN 30 HA ASN 30 4.920 -5.868 2.281 233 HB2 ASN 30 HB2 ASN 30 5.793 -6.424 -0.045 234 HB3 ASN 30 HB3 ASN 30 7.255 -6.989 0.722 235 HD21 ASN 30 HD21 ASN 30 5.831 -8.936 -0.674 236 HD22 ASN 30 HD22 ASN 30 4.871 -9.906 0.383 237 H HIS 31 H HIS 31 5.311 -6.220 4.513 238 HA HIS 31 HA HIS 31 8.089 -6.203 5.437 239 HB2 HIS 31 HB2 HIS 31 7.254 -6.458 7.613 240 HB3 HIS 31 HB3 HIS 31 6.174 -5.336 6.800 241 HD1 HIS 31 HD1 HIS 31 6.269 -9.060 7.962 242 HD2 HIS 31 HD2 HIS 31 3.608 -6.026 6.686 243 HE1 HIS 31 HE1 HIS 31 3.935 -9.887 8.454 244 H ILE 32 H ILE 32 6.067 -8.653 4.074 245 HA ILE 32 HA ILE 32 7.060 -10.926 5.515 246 HB ILE 32 HB ILE 32 5.923 -10.653 2.718 247 HG12 ILE 32 HG12 ILE 32 4.691 -11.477 5.396 248 HG13 ILE 32 HG13 ILE 32 4.400 -9.961 4.560 249 HG21 ILE 32 HG21 ILE 32 7.204 -12.676 2.773 250 HG22 ILE 32 HG22 ILE 32 6.440 -13.189 4.302 251 HG23 ILE 32 HG23 ILE 32 5.517 -13.089 2.779 252 HD11 ILE 32 HD11 ILE 32 3.502 -12.710 3.613 253 HD12 ILE 32 HD12 ILE 32 2.500 -11.396 4.215 254 HD13 ILE 32 HD13 ILE 32 3.350 -11.211 2.664 255 H THR 33 H THR 33 8.244 -9.174 2.731 256 HA THR 33 HA THR 33 10.768 -10.775 2.784 257 HB THR 33 HB THR 33 9.655 -11.488 0.912 258 HG1 THR 33 HG1 THR 33 11.822 -10.470 0.475 259 HG21 THR 33 HG21 THR 33 8.732 -9.892 -0.856 260 HG22 THR 33 HG22 THR 33 8.730 -8.677 0.437 261 HG23 THR 33 HG23 THR 33 7.790 -10.179 0.603 262 H ASN 34 H ASN 34 9.525 -7.782 3.599 263 HA ASN 34 HA ASN 34 10.416 -5.776 3.991 264 HB2 ASN 34 HB2 ASN 34 12.192 -7.358 5.087 265 HB3 ASN 34 HB3 ASN 34 13.222 -6.925 3.728 266 HD21 ASN 34 HD21 ASN 34 11.856 -5.909 6.785 267 HD22 ASN 34 HD22 ASN 34 12.621 -4.346 6.870 268 H ALA 35 H ALA 35 9.460 -6.258 1.584 269 HA ALA 35 HA ALA 35 11.334 -5.165 -0.444 270 HB1 ALA 35 HB1 ALA 35 10.306 -7.521 -0.762 271 HB2 ALA 35 HB2 ALA 35 8.736 -6.700 -0.958 272 HB3 ALA 35 HB3 ALA 35 10.077 -6.367 -2.061 273 H SER 36 H SER 36 9.874 -3.938 -2.163 274 HA SER 36 HA SER 36 7.561 -2.582 -1.272 275 HB2 SER 36 HB2 SER 36 8.529 -0.413 -0.956 276 HB3 SER 36 HB3 SER 36 9.455 -1.586 -0.033 277 HG SER 36 HG SER 36 10.939 -0.324 -0.917 278 H GLN 37 H GLN 37 6.664 -1.267 -2.912 279 HA GLN 37 HA GLN 37 8.018 -0.798 -5.358 280 HB2 GLN 37 HB2 GLN 37 6.093 -3.160 -5.158 281 HB3 GLN 37 HB3 GLN 37 5.898 -2.120 -6.545 282 HG2 GLN 37 HG2 GLN 37 8.501 -2.455 -6.871 283 HG3 GLN 37 HG3 GLN 37 8.241 -3.869 -5.855 284 HE21 GLN 37 HE21 GLN 37 8.812 -5.314 -7.596 285 HE22 GLN 37 HE22 GLN 37 7.776 -5.533 -8.991 286 H TRP 38 H TRP 38 6.246 0.105 -6.978 287 HA TRP 38 HA TRP 38 4.414 1.842 -5.409 288 HB2 TRP 38 HB2 TRP 38 5.195 2.349 -8.263 289 HB3 TRP 38 HB3 TRP 38 4.561 3.463 -7.074 290 HD1 TRP 38 HD1 TRP 38 7.773 1.731 -8.154 291 HE1 TRP 38 HE1 TRP 38 9.799 2.661 -6.925 292 HE3 TRP 38 HE3 TRP 38 5.416 5.154 -5.190 293 HZ2 TRP 38 HZ2 TRP 38 10.337 4.517 -4.788 294 HZ3 TRP 38 HZ3 TRP 38 6.730 6.531 -3.594 295 HH2 TRP 38 HH2 TRP 38 9.175 6.163 -3.323 296 H GLU 39 H GLU 39 4.529 -0.662 -7.904 297 HA GLU 39 HA GLU 39 1.849 -0.298 -8.907 298 HB2 GLU 39 HB2 GLU 39 3.660 -2.759 -9.020 299 HB3 GLU 39 HB3 GLU 39 2.215 -2.462 -9.987 300 HG2 GLU 39 HG2 GLU 39 3.621 -0.167 -10.518 301 HG3 GLU 39 HG3 GLU 39 4.953 -1.300 -10.204 302 H ARG 40 H ARG 40 -0.012 -1.577 -8.445 303 HA ARG 40 HA ARG 40 -0.412 -2.199 -5.713 304 HB2 ARG 40 HB2 ARG 40 -2.004 -2.712 -8.198 305 HB3 ARG 40 HB3 ARG 40 -2.505 -3.452 -6.674 306 HG2 ARG 40 HG2 ARG 40 -2.807 -1.333 -5.591 307 HG3 ARG 40 HG3 ARG 40 -2.060 -0.480 -6.938 308 HD2 ARG 40 HD2 ARG 40 -3.965 -1.631 -8.393 309 HD3 ARG 40 HD3 ARG 40 -4.711 -1.997 -6.831 310 HE ARG 40 HE ARG 40 -4.078 0.815 -7.129 311 HH11 ARG 40 HH11 ARG 40 -6.591 -1.652 -7.902 312 HH12 ARG 40 HH12 ARG 40 -7.813 -0.437 -8.086 313 HH21 ARG 40 HH21 ARG 40 -5.676 2.290 -7.546 314 HH22 ARG 40 HH22 ARG 40 -7.359 1.770 -7.516 315 HA PRO 41 HA PRO 41 1.315 -6.401 -5.996 316 HB2 PRO 41 HB2 PRO 41 1.478 -6.930 -3.337 317 HB3 PRO 41 HB3 PRO 41 2.576 -5.782 -4.151 318 HG2 PRO 41 HG2 PRO 41 0.054 -5.179 -2.592 319 HG3 PRO 41 HG3 PRO 41 1.643 -4.379 -2.412 320 HD2 PRO 41 HD2 PRO 41 -0.340 -3.273 -3.950 321 HD3 PRO 41 HD3 PRO 41 1.394 -3.156 -4.351 322 H SER 42 H SER 42 0.612 -8.588 -4.941 323 HA SER 42 HA SER 42 -2.173 -8.678 -4.094 324 HB2 SER 42 HB2 SER 42 -2.136 -8.716 -6.637 325 HB3 SER 42 HB3 SER 42 -1.267 -10.258 -6.533 326 HG SER 42 HG SER 42 -3.879 -9.574 -5.675 327 H GLY 43 H GLY 43 -2.100 -9.882 -2.365 328 HA2 GLY 43 HA2 GLY 43 -0.041 -11.861 -1.725 329 HA3 GLY 43 HA3 GLY 43 -1.377 -11.332 -0.681 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.916 15.515 -4.005 2 HA2 GLY 1 HA2 GLY 1 -20.367 13.627 -4.426 3 HA3 GLY 1 HA3 GLY 1 -20.441 14.100 -2.714 4 H LEU 2 H LEU 2 -19.557 11.633 -2.941 5 HA LEU 2 HA LEU 2 -21.753 10.024 -1.913 6 HB2 LEU 2 HB2 LEU 2 -21.713 8.288 -3.451 7 HB3 LEU 2 HB3 LEU 2 -21.754 9.716 -4.458 8 HG LEU 2 HG LEU 2 -19.377 7.878 -3.917 9 HD11 LEU 2 HD11 LEU 2 -19.535 7.373 -6.244 10 HD12 LEU 2 HD12 LEU 2 -20.785 8.620 -6.508 11 HD13 LEU 2 HD13 LEU 2 -21.145 7.182 -5.544 12 HD21 LEU 2 HD21 LEU 2 -19.399 10.507 -5.455 13 HD22 LEU 2 HD22 LEU 2 -18.144 9.255 -5.639 14 HD23 LEU 2 HD23 LEU 2 -18.349 10.052 -4.095 15 H GLU 3 H GLU 3 -20.786 7.715 -1.360 16 HA GLU 3 HA GLU 3 -17.958 7.714 -0.707 17 HB2 GLU 3 HB2 GLU 3 -19.024 9.048 1.110 18 HB3 GLU 3 HB3 GLU 3 -20.146 7.716 1.434 19 HG2 GLU 3 HG2 GLU 3 -18.352 6.296 2.200 20 HG3 GLU 3 HG3 GLU 3 -17.126 7.401 1.566 21 H HIS 4 H HIS 4 -17.364 5.482 0.000 22 HA HIS 4 HA HIS 4 -19.346 3.392 -0.039 23 HB2 HIS 4 HB2 HIS 4 -18.920 3.900 -2.525 24 HB3 HIS 4 HB3 HIS 4 -17.254 3.405 -2.255 25 HD1 HIS 4 HD1 HIS 4 -20.726 1.848 -1.504 26 HD2 HIS 4 HD2 HIS 4 -16.873 0.907 -2.937 27 HE1 HIS 4 HE1 HIS 4 -20.747 -0.632 -2.013 28 H MET 5 H MET 5 -18.325 1.369 0.659 29 HA MET 5 HA MET 5 -16.000 1.849 2.369 30 HB2 MET 5 HB2 MET 5 -17.630 -0.636 1.686 31 HB3 MET 5 HB3 MET 5 -16.186 -0.697 2.706 32 HG2 MET 5 HG2 MET 5 -17.168 1.103 4.143 33 HG3 MET 5 HG3 MET 5 -18.675 0.971 3.239 34 HE1 MET 5 HE1 MET 5 -19.007 -2.219 2.850 35 HE2 MET 5 HE2 MET 5 -19.998 -2.558 4.282 36 HE3 MET 5 HE3 MET 5 -20.287 -1.088 3.328 37 H ALA 6 H ALA 6 -14.015 0.412 2.156 38 HA ALA 6 HA ALA 6 -13.337 -0.147 -0.707 39 HB1 ALA 6 HB1 ALA 6 -11.537 1.425 1.169 40 HB2 ALA 6 HB2 ALA 6 -11.294 1.043 -0.555 41 HB3 ALA 6 HB3 ALA 6 -12.582 2.140 -0.078 42 H ASP 7 H ASP 7 -13.702 -2.327 -0.175 43 HA ASP 7 HA ASP 7 -12.126 -3.621 1.947 44 HB2 ASP 7 HB2 ASP 7 -13.846 -4.687 -0.350 45 HB3 ASP 7 HB3 ASP 7 -12.980 -5.729 0.781 46 H GLU 8 H GLU 8 -12.005 -2.915 -1.441 47 HA GLU 8 HA GLU 8 -9.875 -4.596 -2.247 48 HB2 GLU 8 HB2 GLU 8 -10.062 -3.435 -4.244 49 HB3 GLU 8 HB3 GLU 8 -11.688 -3.497 -3.613 50 HG2 GLU 8 HG2 GLU 8 -11.454 -1.124 -2.846 51 HG3 GLU 8 HG3 GLU 8 -9.842 -1.072 -3.577 52 H GLU 9 H GLU 9 -9.886 -1.789 -0.250 53 HA GLU 9 HA GLU 9 -7.203 -0.933 -1.028 54 HB2 GLU 9 HB2 GLU 9 -9.224 0.537 -0.304 55 HB3 GLU 9 HB3 GLU 9 -8.714 0.172 1.352 56 HG2 GLU 9 HG2 GLU 9 -6.480 1.071 0.885 57 HG3 GLU 9 HG3 GLU 9 -6.847 1.168 -0.836 58 H LYS 10 H LYS 10 -8.444 -3.392 0.898 59 HA LYS 10 HA LYS 10 -6.454 -3.264 3.045 60 HB2 LYS 10 HB2 LYS 10 -8.213 -5.596 2.120 61 HB3 LYS 10 HB3 LYS 10 -7.315 -5.508 3.629 62 HG2 LYS 10 HG2 LYS 10 -9.592 -3.649 2.849 63 HG3 LYS 10 HG3 LYS 10 -9.762 -5.087 3.849 64 HD2 LYS 10 HD2 LYS 10 -8.674 -4.131 5.697 65 HD3 LYS 10 HD3 LYS 10 -7.802 -2.952 4.706 66 HE2 LYS 10 HE2 LYS 10 -9.544 -1.763 5.871 67 HE3 LYS 10 HE3 LYS 10 -9.884 -1.806 4.136 68 HZ1 LYS 10 HZ1 LYS 10 -11.363 -3.801 4.720 69 HZ2 LYS 10 HZ2 LYS 10 -11.906 -2.338 5.113 70 HZ3 LYS 10 HZ3 LYS 10 -11.256 -3.290 6.280 71 H LEU 11 H LEU 11 -4.366 -3.220 2.172 72 HA LEU 11 HA LEU 11 -3.536 -4.464 -0.137 73 HB2 LEU 11 HB2 LEU 11 -2.129 -3.600 2.405 74 HB3 LEU 11 HB3 LEU 11 -1.206 -4.533 1.257 75 HG LEU 11 HG LEU 11 -0.866 -2.131 0.965 76 HD11 LEU 11 HD11 LEU 11 -1.266 -1.993 -1.494 77 HD12 LEU 11 HD12 LEU 11 -2.262 -3.418 -1.428 78 HD13 LEU 11 HD13 LEU 11 -0.531 -3.511 -0.987 79 HD21 LEU 11 HD21 LEU 11 -2.688 -0.676 0.108 80 HD22 LEU 11 HD22 LEU 11 -3.139 -1.373 1.664 81 HD23 LEU 11 HD23 LEU 11 -3.803 -2.003 0.130 82 HA PRO 12 HA PRO 12 -3.413 -8.731 0.534 83 HB2 PRO 12 HB2 PRO 12 -1.182 -9.555 -0.921 84 HB3 PRO 12 HB3 PRO 12 -2.790 -9.132 -1.591 85 HG2 PRO 12 HG2 PRO 12 -0.297 -7.466 -1.427 86 HG3 PRO 12 HG3 PRO 12 -1.498 -7.559 -2.747 87 HD2 PRO 12 HD2 PRO 12 -1.402 -5.557 -0.869 88 HD3 PRO 12 HD3 PRO 12 -2.915 -6.050 -1.679 89 HA PRO 13 HA PRO 13 -0.986 -9.988 3.872 90 HB2 PRO 13 HB2 PRO 13 -0.384 -12.663 3.357 91 HB3 PRO 13 HB3 PRO 13 -1.980 -12.035 3.877 92 HG2 PRO 13 HG2 PRO 13 -1.010 -12.583 1.060 93 HG3 PRO 13 HG3 PRO 13 -2.548 -13.128 1.818 94 HD2 PRO 13 HD2 PRO 13 -2.492 -10.979 0.261 95 HD3 PRO 13 HD3 PRO 13 -3.432 -10.898 1.771 96 H GLY 14 H GLY 14 0.884 -8.962 4.105 97 HA2 GLY 14 HA2 GLY 14 3.312 -9.398 4.309 98 HA3 GLY 14 HA3 GLY 14 3.297 -9.893 2.609 99 H TRP 15 H TRP 15 1.346 -7.626 1.908 100 HA TRP 15 HA TRP 15 3.450 -5.568 1.629 101 HB2 TRP 15 HB2 TRP 15 0.714 -5.929 0.384 102 HB3 TRP 15 HB3 TRP 15 1.722 -4.511 0.153 103 HD1 TRP 15 HD1 TRP 15 1.660 -8.243 -0.754 104 HE1 TRP 15 HE1 TRP 15 3.298 -8.654 -2.663 105 HE3 TRP 15 HE3 TRP 15 3.882 -3.681 -0.813 106 HZ2 TRP 15 HZ2 TRP 15 5.145 -7.056 -4.237 107 HZ3 TRP 15 HZ3 TRP 15 5.505 -3.087 -2.596 108 HH2 TRP 15 HH2 TRP 15 6.162 -4.780 -4.316 109 H GLU 16 H GLU 16 3.197 -3.514 2.392 110 HA GLU 16 HA GLU 16 0.995 -2.821 4.231 111 HB2 GLU 16 HB2 GLU 16 3.981 -2.985 4.641 112 HB3 GLU 16 HB3 GLU 16 3.127 -1.639 5.377 113 HG2 GLU 16 HG2 GLU 16 2.059 -4.450 5.735 114 HG3 GLU 16 HG3 GLU 16 3.445 -3.896 6.692 115 H LYS 17 H LYS 17 0.170 -0.887 3.726 116 HA LYS 17 HA LYS 17 1.434 0.803 1.666 117 HB2 LYS 17 HB2 LYS 17 -0.993 0.374 1.714 118 HB3 LYS 17 HB3 LYS 17 -1.104 1.085 3.334 119 HG2 LYS 17 HG2 LYS 17 -0.330 3.276 2.434 120 HG3 LYS 17 HG3 LYS 17 -0.190 2.578 0.812 121 HD2 LYS 17 HD2 LYS 17 -2.635 2.109 0.806 122 HD3 LYS 17 HD3 LYS 17 -2.746 2.703 2.470 123 HE2 LYS 17 HE2 LYS 17 -1.879 4.917 1.709 124 HE3 LYS 17 HE3 LYS 17 -1.903 4.305 0.037 125 HZ1 LYS 17 HZ1 LYS 17 -4.218 4.735 1.815 126 HZ2 LYS 17 HZ2 LYS 17 -4.311 3.868 0.415 127 HZ3 LYS 17 HZ3 LYS 17 -3.931 5.457 0.360 128 H ARG 18 H ARG 18 2.951 2.279 2.205 129 HA ARG 18 HA ARG 18 2.822 3.599 4.881 130 HB2 ARG 18 HB2 ARG 18 5.183 2.561 3.254 131 HB3 ARG 18 HB3 ARG 18 5.399 3.560 4.679 132 HG2 ARG 18 HG2 ARG 18 3.897 0.937 4.911 133 HG3 ARG 18 HG3 ARG 18 5.645 0.983 4.853 134 HD2 ARG 18 HD2 ARG 18 5.737 2.487 6.809 135 HD3 ARG 18 HD3 ARG 18 3.986 2.606 6.849 136 HE ARG 18 HE ARG 18 5.626 0.554 7.984 137 HH11 ARG 18 HH11 ARG 18 2.334 1.236 6.848 138 HH12 ARG 18 HH12 ARG 18 1.725 -0.365 7.183 139 HH21 ARG 18 HH21 ARG 18 4.702 -1.418 8.865 140 HH22 ARG 18 HH22 ARG 18 3.068 -1.806 8.488 141 H MET 19 H MET 19 4.594 5.494 4.681 142 HA MET 19 HA MET 19 4.299 6.923 2.139 143 HB2 MET 19 HB2 MET 19 2.420 7.682 3.534 144 HB3 MET 19 HB3 MET 19 3.529 8.041 4.873 145 HG2 MET 19 HG2 MET 19 4.632 9.759 3.579 146 HG3 MET 19 HG3 MET 19 3.765 9.285 2.113 147 HE1 MET 19 HE1 MET 19 3.595 11.159 5.532 148 HE2 MET 19 HE2 MET 19 1.875 11.595 5.648 149 HE3 MET 19 HE3 MET 19 2.370 9.898 5.828 150 H GLU 20 H GLU 20 6.097 8.106 1.661 151 HA GLU 20 HA GLU 20 8.555 7.522 3.086 152 HB2 GLU 20 HB2 GLU 20 7.900 9.481 0.805 153 HB3 GLU 20 HB3 GLU 20 9.516 9.098 1.434 154 HG2 GLU 20 HG2 GLU 20 8.910 6.657 0.932 155 HG3 GLU 20 HG3 GLU 20 7.575 7.261 -0.026 156 H ARG 21 H ARG 21 9.159 8.694 4.988 157 HA ARG 21 HA ARG 21 7.701 11.146 5.624 158 HB2 ARG 21 HB2 ARG 21 10.138 9.857 6.936 159 HB3 ARG 21 HB3 ARG 21 9.256 11.261 7.557 160 HG2 ARG 21 HG2 ARG 21 7.181 9.954 7.693 161 HG3 ARG 21 HG3 ARG 21 8.005 8.517 7.083 162 HD2 ARG 21 HD2 ARG 21 8.863 9.981 9.592 163 HD3 ARG 21 HD3 ARG 21 7.689 8.649 9.603 164 HE ARG 21 HE ARG 21 9.890 7.660 8.230 165 HH11 ARG 21 HH11 ARG 21 9.303 8.935 11.529 166 HH12 ARG 21 HH12 ARG 21 10.473 7.854 12.232 167 HH21 ARG 21 HH21 ARG 21 11.445 6.249 9.288 168 HH22 ARG 21 HH22 ARG 21 11.614 6.387 11.012 169 H SER 22 H SER 22 10.669 10.341 4.023 170 HA SER 22 HA SER 22 12.129 12.696 4.193 171 HB2 SER 22 HB2 SER 22 12.902 10.559 3.194 172 HB3 SER 22 HB3 SER 22 11.840 10.823 1.797 173 HG SER 22 HG SER 22 13.949 11.442 1.369 174 H SER 23 H SER 23 9.804 11.881 1.516 175 HA SER 23 HA SER 23 9.502 14.803 0.985 176 HB2 SER 23 HB2 SER 23 9.166 12.402 -0.839 177 HB3 SER 23 HB3 SER 23 9.078 14.100 -1.313 178 HG SER 23 HG SER 23 11.272 14.297 -0.516 179 H GLY 24 H GLY 24 7.635 11.966 1.974 180 HA2 GLY 24 HA2 GLY 24 5.448 11.940 2.626 181 HA3 GLY 24 HA3 GLY 24 5.220 13.574 2.020 182 H ARG 25 H ARG 25 6.056 10.263 0.685 183 HA ARG 25 HA ARG 25 3.867 10.693 -1.280 184 HB2 ARG 25 HB2 ARG 25 6.470 11.011 -1.975 185 HB3 ARG 25 HB3 ARG 25 6.365 9.273 -2.106 186 HG2 ARG 25 HG2 ARG 25 5.777 10.047 -4.278 187 HG3 ARG 25 HG3 ARG 25 4.207 9.739 -3.525 188 HD2 ARG 25 HD2 ARG 25 4.146 11.824 -4.773 189 HD3 ARG 25 HD3 ARG 25 3.958 12.165 -3.053 190 HE ARG 25 HE ARG 25 6.671 12.448 -3.497 191 HH11 ARG 25 HH11 ARG 25 3.853 13.962 -5.146 192 HH12 ARG 25 HH12 ARG 25 4.663 15.453 -5.354 193 HH21 ARG 25 HH21 ARG 25 7.713 14.456 -3.852 194 HH22 ARG 25 HH22 ARG 25 6.867 15.787 -4.510 195 H VAL 26 H VAL 26 2.520 8.970 -1.359 196 HA VAL 26 HA VAL 26 2.879 6.843 0.593 197 HB VAL 26 HB VAL 26 0.624 7.378 -1.371 198 HG11 VAL 26 HG11 VAL 26 0.704 5.747 1.214 199 HG12 VAL 26 HG12 VAL 26 -0.740 6.123 0.236 200 HG13 VAL 26 HG13 VAL 26 0.535 5.091 -0.428 201 HG21 VAL 26 HG21 VAL 26 0.965 8.263 1.540 202 HG22 VAL 26 HG22 VAL 26 0.948 9.337 0.131 203 HG23 VAL 26 HG23 VAL 26 -0.512 8.465 0.570 204 H TYR 27 H TYR 27 3.025 4.574 0.136 205 HA TYR 27 HA TYR 27 3.181 3.591 -2.566 206 HB2 TYR 27 HB2 TYR 27 5.504 3.020 -2.575 207 HB3 TYR 27 HB3 TYR 27 5.425 4.736 -2.262 208 HD1 TYR 27 HD2 TYR 27 5.622 5.516 0.248 209 HD2 TYR 27 HD1 TYR 27 6.778 1.619 -1.166 210 HE1 TYR 27 HE2 TYR 27 6.958 5.164 2.303 211 HE2 TYR 27 HE1 TYR 27 8.084 1.247 0.881 212 HH TYR 27 HH TYR 27 8.107 3.646 3.575 213 H TYR 28 H TYR 28 4.206 1.131 -2.309 214 HA TYR 28 HA TYR 28 3.022 -0.023 0.160 215 HB2 TYR 28 HB2 TYR 28 3.268 -1.238 -2.617 216 HB3 TYR 28 HB3 TYR 28 2.545 -1.970 -1.183 217 HD1 TYR 28 HD1 TYR 28 0.733 -0.356 0.025 218 HD2 TYR 28 HD2 TYR 28 1.721 -0.313 -4.159 219 HE1 TYR 28 HE1 TYR 28 -1.391 0.795 -0.456 220 HE2 TYR 28 HE2 TYR 28 -0.453 0.765 -4.664 221 HH TYR 28 HH TYR 28 -2.147 2.422 -2.637 222 H PHE 29 H PHE 29 4.161 -1.648 1.215 223 HA PHE 29 HA PHE 29 6.962 -2.178 0.315 224 HB2 PHE 29 HB2 PHE 29 6.810 -0.333 2.017 225 HB3 PHE 29 HB3 PHE 29 6.023 -1.452 3.121 226 HD1 PHE 29 HD2 PHE 29 7.282 -3.489 3.965 227 HD2 PHE 29 HD1 PHE 29 9.205 -0.435 1.578 228 HE1 PHE 29 HE2 PHE 29 9.531 -4.387 4.568 229 HE2 PHE 29 HE1 PHE 29 11.413 -1.269 2.278 230 HZ PHE 29 HZ PHE 29 11.568 -3.198 3.790 231 H ASN 30 H ASN 30 7.362 -4.269 0.326 232 HA ASN 30 HA ASN 30 5.446 -6.203 1.521 233 HB2 ASN 30 HB2 ASN 30 6.091 -6.472 -0.765 234 HB3 ASN 30 HB3 ASN 30 7.805 -6.582 -0.322 235 HD21 ASN 30 HD21 ASN 30 7.179 -8.708 -1.781 236 HD22 ASN 30 HD22 ASN 30 6.834 -10.081 -0.797 237 H HIS 31 H HIS 31 5.905 -6.388 3.756 238 HA HIS 31 HA HIS 31 8.625 -6.332 4.724 239 HB2 HIS 31 HB2 HIS 31 7.726 -6.753 6.892 240 HB3 HIS 31 HB3 HIS 31 6.767 -5.534 6.053 241 HD1 HIS 31 HD1 HIS 31 6.443 -8.968 7.674 242 HD2 HIS 31 HD2 HIS 31 4.203 -6.164 5.453 243 HE1 HIS 31 HE1 HIS 31 4.014 -9.711 7.780 244 H ILE 32 H ILE 32 6.910 -8.839 3.202 245 HA ILE 32 HA ILE 32 8.101 -11.063 4.657 246 HB ILE 32 HB ILE 32 6.742 -10.808 1.970 247 HG12 ILE 32 HG12 ILE 32 5.945 -12.094 4.627 248 HG13 ILE 32 HG13 ILE 32 5.354 -10.554 4.013 249 HG21 ILE 32 HG21 ILE 32 6.695 -13.207 1.718 250 HG22 ILE 32 HG22 ILE 32 8.290 -12.550 1.577 251 HG23 ILE 32 HG23 ILE 32 7.793 -13.387 3.098 252 HD11 ILE 32 HD11 ILE 32 3.637 -12.155 3.638 253 HD12 ILE 32 HD12 ILE 32 4.352 -11.807 2.044 254 HD13 ILE 32 HD13 ILE 32 4.754 -13.314 2.904 255 H THR 33 H THR 33 8.967 -9.204 1.651 256 HA THR 33 HA THR 33 11.602 -10.669 1.802 257 HB THR 33 HB THR 33 9.899 -11.389 0.034 258 HG1 THR 33 HG1 THR 33 12.545 -10.659 -0.614 259 HG21 THR 33 HG21 THR 33 10.939 -9.009 -1.519 260 HG22 THR 33 HG22 THR 33 9.405 -8.962 -0.627 261 HG23 THR 33 HG23 THR 33 9.627 -10.137 -1.919 262 H ASN 34 H ASN 34 10.291 -7.806 2.463 263 HA ASN 34 HA ASN 34 11.042 -5.756 2.753 264 HB2 ASN 34 HB2 ASN 34 13.188 -7.182 3.350 265 HB3 ASN 34 HB3 ASN 34 13.808 -6.463 1.879 266 HD21 ASN 34 HD21 ASN 34 12.461 -5.869 5.095 267 HD22 ASN 34 HD22 ASN 34 13.038 -4.245 5.345 268 H ALA 35 H ALA 35 9.970 -6.616 0.198 269 HA ALA 35 HA ALA 35 11.349 -4.949 -1.839 270 HB1 ALA 35 HB1 ALA 35 10.557 -7.120 -2.644 271 HB2 ALA 35 HB2 ALA 35 8.899 -6.771 -2.117 272 HB3 ALA 35 HB3 ALA 35 9.648 -5.829 -3.412 273 H SER 36 H SER 36 9.561 -3.622 -3.191 274 HA SER 36 HA SER 36 7.394 -2.457 -1.746 275 HB2 SER 36 HB2 SER 36 8.414 -0.272 -1.536 276 HB3 SER 36 HB3 SER 36 9.463 -1.490 -0.803 277 HG SER 36 HG SER 36 10.738 -0.119 -2.012 278 H GLN 37 H GLN 37 6.232 -0.944 -3.172 279 HA GLN 37 HA GLN 37 7.164 -0.344 -5.743 280 HB2 GLN 37 HB2 GLN 37 5.230 -2.700 -5.529 281 HB3 GLN 37 HB3 GLN 37 5.015 -1.557 -6.836 282 HG2 GLN 37 HG2 GLN 37 7.685 -2.009 -7.122 283 HG3 GLN 37 HG3 GLN 37 7.151 -3.575 -6.496 284 HE21 GLN 37 HE21 GLN 37 8.028 -2.365 -9.330 285 HE22 GLN 37 HE22 GLN 37 6.773 -3.027 -10.362 286 H TRP 38 H TRP 38 5.099 0.596 -7.017 287 HA TRP 38 HA TRP 38 3.587 2.244 -5.038 288 HB2 TRP 38 HB2 TRP 38 4.101 2.834 -7.963 289 HB3 TRP 38 HB3 TRP 38 3.407 3.903 -6.748 290 HD1 TRP 38 HD1 TRP 38 6.700 2.266 -7.750 291 HE1 TRP 38 HE1 TRP 38 8.689 3.680 -6.923 292 HE3 TRP 38 HE3 TRP 38 4.141 5.575 -4.835 293 HZ2 TRP 38 HZ2 TRP 38 9.055 6.130 -5.393 294 HZ3 TRP 38 HZ3 TRP 38 5.332 7.411 -3.656 295 HH2 TRP 38 HH2 TRP 38 7.758 7.733 -3.963 296 H GLU 39 H GLU 39 3.320 0.011 -7.777 297 HA GLU 39 HA GLU 39 0.463 0.538 -8.196 298 HB2 GLU 39 HB2 GLU 39 2.292 -1.736 -9.110 299 HB3 GLU 39 HB3 GLU 39 0.571 -1.604 -9.514 300 HG2 GLU 39 HG2 GLU 39 1.087 0.713 -10.467 301 HG3 GLU 39 HG3 GLU 39 2.795 0.291 -10.323 302 H ARG 40 H ARG 40 -1.251 -0.933 -7.662 303 HA ARG 40 HA ARG 40 -1.098 -1.965 -5.025 304 HB2 ARG 40 HB2 ARG 40 -3.149 -2.182 -7.212 305 HB3 ARG 40 HB3 ARG 40 -3.319 -3.143 -5.738 306 HG2 ARG 40 HG2 ARG 40 -3.423 -1.205 -4.333 307 HG3 ARG 40 HG3 ARG 40 -2.915 -0.152 -5.650 308 HD2 ARG 40 HD2 ARG 40 -5.255 0.195 -5.450 309 HD3 ARG 40 HD3 ARG 40 -5.080 -0.811 -6.881 310 HE ARG 40 HE ARG 40 -6.321 -1.438 -4.318 311 HH11 ARG 40 HH11 ARG 40 -5.343 -2.801 -7.476 312 HH12 ARG 40 HH12 ARG 40 -6.010 -4.348 -7.165 313 HH21 ARG 40 HH21 ARG 40 -7.296 -3.477 -3.953 314 HH22 ARG 40 HH22 ARG 40 -7.239 -4.720 -5.154 315 HA PRO 41 HA PRO 41 0.760 -5.909 -6.322 316 HB2 PRO 41 HB2 PRO 41 1.276 -6.905 -3.831 317 HB3 PRO 41 HB3 PRO 41 2.218 -5.603 -4.583 318 HG2 PRO 41 HG2 PRO 41 -0.026 -5.371 -2.567 319 HG3 PRO 41 HG3 PRO 41 1.529 -4.495 -2.575 320 HD2 PRO 41 HD2 PRO 41 -0.804 -3.408 -3.515 321 HD3 PRO 41 HD3 PRO 41 0.818 -2.993 -4.134 322 H SER 42 H SER 42 0.402 -8.306 -5.472 323 HA SER 42 HA SER 42 -2.311 -8.835 -4.540 324 HB2 SER 42 HB2 SER 42 -2.860 -8.672 -6.841 325 HB3 SER 42 HB3 SER 42 -1.322 -9.376 -7.339 326 HG SER 42 HG SER 42 -1.987 -11.365 -6.564 327 H GLY 43 H GLY 43 -1.930 -10.290 -2.967 328 HA2 GLY 43 HA2 GLY 43 0.339 -12.204 -3.147 329 HA3 GLY 43 HA3 GLY 43 -0.582 -11.771 -1.687 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -19.423 -0.603 -3.051 2 HA2 GLY 1 HA2 GLY 1 -18.569 -1.511 -0.940 3 HA3 GLY 1 HA3 GLY 1 -17.831 0.076 -0.635 4 H LEU 2 H LEU 2 -19.575 -0.928 1.295 5 HA LEU 2 HA LEU 2 -22.279 -0.414 0.991 6 HB2 LEU 2 HB2 LEU 2 -20.857 -1.445 2.922 7 HB3 LEU 2 HB3 LEU 2 -20.856 0.177 3.609 8 HG LEU 2 HG LEU 2 -23.383 -1.378 2.839 9 HD11 LEU 2 HD11 LEU 2 -21.856 -1.234 5.463 10 HD12 LEU 2 HD12 LEU 2 -22.193 -2.661 4.491 11 HD13 LEU 2 HD13 LEU 2 -23.520 -1.826 5.343 12 HD21 LEU 2 HD21 LEU 2 -23.785 1.081 3.181 13 HD22 LEU 2 HD22 LEU 2 -23.101 0.926 4.816 14 HD23 LEU 2 HD23 LEU 2 -24.587 0.079 4.379 15 H GLU 3 H GLU 3 -19.789 1.919 2.145 16 HA GLU 3 HA GLU 3 -21.551 4.166 1.268 17 HB2 GLU 3 HB2 GLU 3 -19.992 4.021 3.885 18 HB3 GLU 3 HB3 GLU 3 -20.914 5.399 3.271 19 HG2 GLU 3 HG2 GLU 3 -22.976 3.917 3.341 20 HG3 GLU 3 HG3 GLU 3 -21.987 2.710 4.160 21 H HIS 4 H HIS 4 -20.112 3.895 -0.633 22 HA HIS 4 HA HIS 4 -18.431 4.418 -1.956 23 HB2 HIS 4 HB2 HIS 4 -17.741 6.584 0.015 24 HB3 HIS 4 HB3 HIS 4 -17.358 6.552 -1.697 25 HD1 HIS 4 HD1 HIS 4 -19.948 6.327 -3.263 26 HD2 HIS 4 HD2 HIS 4 -19.655 8.177 0.523 27 HE1 HIS 4 HE1 HIS 4 -21.852 7.965 -3.113 28 H MET 5 H MET 5 -17.640 3.033 0.867 29 HA MET 5 HA MET 5 -14.858 3.219 1.184 30 HB2 MET 5 HB2 MET 5 -16.636 0.777 1.578 31 HB3 MET 5 HB3 MET 5 -15.036 1.050 2.272 32 HG2 MET 5 HG2 MET 5 -15.880 2.748 3.738 33 HG3 MET 5 HG3 MET 5 -17.448 2.760 2.919 34 HE1 MET 5 HE1 MET 5 -15.017 0.687 5.247 35 HE2 MET 5 HE2 MET 5 -15.893 -0.847 5.418 36 HE3 MET 5 HE3 MET 5 -15.224 -0.412 3.862 37 H ALA 6 H ALA 6 -13.231 2.613 -0.220 38 HA ALA 6 HA ALA 6 -13.845 0.702 -2.417 39 HB1 ALA 6 HB1 ALA 6 -11.549 2.631 -1.921 40 HB2 ALA 6 HB2 ALA 6 -11.654 1.496 -3.282 41 HB3 ALA 6 HB3 ALA 6 -12.853 2.796 -3.125 42 H ASP 7 H ASP 7 -13.548 -1.375 -1.731 43 HA ASP 7 HA ASP 7 -11.755 -2.147 0.430 44 HB2 ASP 7 HB2 ASP 7 -13.812 -3.384 -0.165 45 HB3 ASP 7 HB3 ASP 7 -13.108 -3.811 -1.723 46 H GLU 8 H GLU 8 -11.569 -1.735 -3.030 47 HA GLU 8 HA GLU 8 -9.216 -3.158 -3.687 48 HB2 GLU 8 HB2 GLU 8 -10.836 -2.100 -5.291 49 HB3 GLU 8 HB3 GLU 8 -10.357 -0.512 -4.713 50 HG2 GLU 8 HG2 GLU 8 -9.287 -0.843 -6.798 51 HG3 GLU 8 HG3 GLU 8 -8.039 -0.900 -5.567 52 H GLU 9 H GLU 9 -9.725 -0.126 -1.970 53 HA GLU 9 HA GLU 9 -7.014 0.880 -2.226 54 HB2 GLU 9 HB2 GLU 9 -9.278 2.130 -1.758 55 HB3 GLU 9 HB3 GLU 9 -8.985 1.672 -0.073 56 HG2 GLU 9 HG2 GLU 9 -6.704 2.797 -0.270 57 HG3 GLU 9 HG3 GLU 9 -7.178 3.328 -1.894 58 H LYS 10 H LYS 10 -8.496 -1.577 -0.309 59 HA LYS 10 HA LYS 10 -6.616 -1.320 1.974 60 HB2 LYS 10 HB2 LYS 10 -8.811 -3.359 1.404 61 HB3 LYS 10 HB3 LYS 10 -7.819 -3.293 2.847 62 HG2 LYS 10 HG2 LYS 10 -9.716 -1.054 1.942 63 HG3 LYS 10 HG3 LYS 10 -10.074 -2.295 3.120 64 HD2 LYS 10 HD2 LYS 10 -9.422 -0.743 4.619 65 HD3 LYS 10 HD3 LYS 10 -7.820 -1.394 4.278 66 HE2 LYS 10 HE2 LYS 10 -7.656 0.443 2.462 67 HE3 LYS 10 HE3 LYS 10 -9.143 1.116 3.148 68 HZ1 LYS 10 HZ1 LYS 10 -7.877 1.154 5.309 69 HZ2 LYS 10 HZ2 LYS 10 -7.294 2.186 4.140 70 HZ3 LYS 10 HZ3 LYS 10 -6.531 0.766 4.491 71 H LEU 11 H LEU 11 -4.616 -1.843 1.397 72 HA LEU 11 HA LEU 11 -3.899 -3.441 -0.747 73 HB2 LEU 11 HB2 LEU 11 -2.545 -2.483 1.791 74 HB3 LEU 11 HB3 LEU 11 -1.679 -3.600 0.781 75 HG LEU 11 HG LEU 11 -1.096 -1.253 0.345 76 HD11 LEU 11 HD11 LEU 11 -0.729 -2.815 -1.436 77 HD12 LEU 11 HD12 LEU 11 -1.304 -1.313 -2.161 78 HD13 LEU 11 HD13 LEU 11 -2.403 -2.665 -2.030 79 HD21 LEU 11 HD21 LEU 11 -3.908 -0.904 -0.797 80 HD22 LEU 11 HD22 LEU 11 -2.637 0.284 -0.796 81 HD23 LEU 11 HD23 LEU 11 -3.326 -0.219 0.747 82 HA PRO 12 HA PRO 12 -4.414 -7.607 0.378 83 HB2 PRO 12 HB2 PRO 12 -2.104 -8.806 -0.624 84 HB3 PRO 12 HB3 PRO 12 -3.523 -8.316 -1.593 85 HG2 PRO 12 HG2 PRO 12 -0.908 -6.897 -1.149 86 HG3 PRO 12 HG3 PRO 12 -1.855 -7.032 -2.642 87 HD2 PRO 12 HD2 PRO 12 -1.847 -4.829 -1.053 88 HD3 PRO 12 HD3 PRO 12 -3.279 -5.289 -2.005 89 HA PRO 13 HA PRO 13 -2.467 -8.756 4.094 90 HB2 PRO 13 HB2 PRO 13 -1.994 -11.472 3.954 91 HB3 PRO 13 HB3 PRO 13 -3.590 -10.725 4.093 92 HG2 PRO 13 HG2 PRO 13 -2.262 -11.605 1.537 93 HG3 PRO 13 HG3 PRO 13 -3.904 -12.017 2.125 94 HD2 PRO 13 HD2 PRO 13 -3.582 -10.015 0.410 95 HD3 PRO 13 HD3 PRO 13 -4.678 -9.773 1.781 96 H GLY 14 H GLY 14 -0.546 -7.898 4.539 97 HA2 GLY 14 HA2 GLY 14 1.814 -8.491 5.011 98 HA3 GLY 14 HA3 GLY 14 1.937 -9.101 3.357 99 H TRP 15 H TRP 15 0.358 -6.815 2.217 100 HA TRP 15 HA TRP 15 2.698 -5.025 2.005 101 HB2 TRP 15 HB2 TRP 15 0.091 -5.305 0.468 102 HB3 TRP 15 HB3 TRP 15 1.252 -4.020 0.182 103 HD1 TRP 15 HD1 TRP 15 0.912 -7.833 -0.301 104 HE1 TRP 15 HE1 TRP 15 2.690 -8.587 -1.982 105 HE3 TRP 15 HE3 TRP 15 3.599 -3.522 -0.560 106 HZ2 TRP 15 HZ2 TRP 15 4.982 -7.408 -3.346 107 HZ3 TRP 15 HZ3 TRP 15 5.557 -3.331 -2.093 108 HH2 TRP 15 HH2 TRP 15 6.255 -5.276 -3.483 109 H GLU 16 H GLU 16 2.570 -2.849 2.489 110 HA GLU 16 HA GLU 16 0.199 -1.715 3.871 111 HB2 GLU 16 HB2 GLU 16 3.055 -2.116 4.781 112 HB3 GLU 16 HB3 GLU 16 2.274 -0.593 5.201 113 HG2 GLU 16 HG2 GLU 16 0.844 -3.212 5.707 114 HG3 GLU 16 HG3 GLU 16 2.074 -2.624 6.838 115 H LYS 17 H LYS 17 -0.328 0.232 3.081 116 HA LYS 17 HA LYS 17 1.396 1.506 1.073 117 HB2 LYS 17 HB2 LYS 17 -1.055 1.387 0.864 118 HB3 LYS 17 HB3 LYS 17 -1.234 2.388 2.325 119 HG2 LYS 17 HG2 LYS 17 0.105 4.217 1.152 120 HG3 LYS 17 HG3 LYS 17 0.181 3.187 -0.274 121 HD2 LYS 17 HD2 LYS 17 -1.586 4.562 -0.807 122 HD3 LYS 17 HD3 LYS 17 -2.453 3.181 -0.112 123 HE2 LYS 17 HE2 LYS 17 -2.400 4.403 2.124 124 HE3 LYS 17 HE3 LYS 17 -1.723 5.802 1.283 125 HZ1 LYS 17 HZ1 LYS 17 -4.139 5.934 1.542 126 HZ2 LYS 17 HZ2 LYS 17 -4.338 4.563 0.715 127 HZ3 LYS 17 HZ3 LYS 17 -3.724 5.893 -0.061 128 H ARG 18 H ARG 18 2.994 2.861 1.612 129 HA ARG 18 HA ARG 18 2.787 4.431 4.132 130 HB2 ARG 18 HB2 ARG 18 5.183 3.017 2.898 131 HB3 ARG 18 HB3 ARG 18 5.276 4.035 4.332 132 HG2 ARG 18 HG2 ARG 18 3.481 1.545 4.256 133 HG3 ARG 18 HG3 ARG 18 5.192 1.480 4.646 134 HD2 ARG 18 HD2 ARG 18 4.915 2.844 6.604 135 HD3 ARG 18 HD3 ARG 18 3.394 3.503 6.018 136 HE ARG 18 HE ARG 18 2.239 1.893 6.966 137 HH11 ARG 18 HH11 ARG 18 5.581 0.649 6.704 138 HH12 ARG 18 HH12 ARG 18 5.281 -0.683 7.761 139 HH21 ARG 18 HH21 ARG 18 1.893 0.078 8.397 140 HH22 ARG 18 HH22 ARG 18 3.224 -0.969 8.774 141 H MET 19 H MET 19 4.698 6.123 3.978 142 HA MET 19 HA MET 19 4.785 7.312 1.306 143 HB2 MET 19 HB2 MET 19 2.965 8.365 2.629 144 HB3 MET 19 HB3 MET 19 4.148 8.796 3.897 145 HG2 MET 19 HG2 MET 19 5.382 10.131 2.269 146 HG3 MET 19 HG3 MET 19 4.265 9.646 0.975 147 HE1 MET 19 HE1 MET 19 2.630 13.026 0.921 148 HE2 MET 19 HE2 MET 19 4.313 12.539 0.671 149 HE3 MET 19 HE3 MET 19 2.994 11.524 0.042 150 H GLU 20 H GLU 20 6.770 8.048 0.841 151 HA GLU 20 HA GLU 20 9.029 7.202 2.411 152 HB2 GLU 20 HB2 GLU 20 8.840 8.951 -0.105 153 HB3 GLU 20 HB3 GLU 20 10.316 8.245 0.585 154 HG2 GLU 20 HG2 GLU 20 9.085 6.012 0.404 155 HG3 GLU 20 HG3 GLU 20 7.950 6.807 -0.679 156 H ARG 21 H ARG 21 9.564 8.392 4.320 157 HA ARG 21 HA ARG 21 8.841 11.195 4.495 158 HB2 ARG 21 HB2 ARG 21 9.155 9.337 6.338 159 HB3 ARG 21 HB3 ARG 21 10.862 9.821 6.290 160 HG2 ARG 21 HG2 ARG 21 10.260 12.101 6.910 161 HG3 ARG 21 HG3 ARG 21 8.533 11.738 6.771 162 HD2 ARG 21 HD2 ARG 21 10.331 10.239 8.708 163 HD3 ARG 21 HD3 ARG 21 9.543 11.760 9.135 164 HE ARG 21 HE ARG 21 7.473 10.241 8.153 165 HH11 ARG 21 HH11 ARG 21 9.769 9.906 10.825 166 HH12 ARG 21 HH12 ARG 21 8.641 9.136 11.889 167 HH21 ARG 21 HH21 ARG 21 5.980 9.102 9.527 168 HH22 ARG 21 HH22 ARG 21 6.465 8.628 11.101 169 H SER 22 H SER 22 11.241 9.599 2.839 170 HA SER 22 HA SER 22 13.551 11.237 3.019 171 HB2 SER 22 HB2 SER 22 13.343 8.866 2.200 172 HB3 SER 22 HB3 SER 22 12.474 9.447 0.786 173 HG SER 22 HG SER 22 15.165 9.897 1.534 174 H SER 23 H SER 23 10.803 11.165 0.688 175 HA SER 23 HA SER 23 11.404 13.985 -0.090 176 HB2 SER 23 HB2 SER 23 10.962 11.562 -1.859 177 HB3 SER 23 HB3 SER 23 10.768 13.210 -2.448 178 HG SER 23 HG SER 23 12.902 12.217 -2.688 179 H GLY 24 H GLY 24 8.959 11.568 0.699 180 HA2 GLY 24 HA2 GLY 24 6.803 12.030 1.284 181 HA3 GLY 24 HA3 GLY 24 6.865 13.599 0.495 182 H ARG 25 H ARG 25 7.055 10.071 -0.318 183 HA ARG 25 HA ARG 25 5.194 10.610 -2.562 184 HB2 ARG 25 HB2 ARG 25 7.844 10.339 -3.104 185 HB3 ARG 25 HB3 ARG 25 7.439 8.632 -2.955 186 HG2 ARG 25 HG2 ARG 25 7.221 9.245 -5.256 187 HG3 ARG 25 HG3 ARG 25 5.582 9.028 -4.643 188 HD2 ARG 25 HD2 ARG 25 5.013 11.191 -5.075 189 HD3 ARG 25 HD3 ARG 25 6.475 11.814 -4.320 190 HE ARG 25 HE ARG 25 7.608 11.816 -6.300 191 HH11 ARG 25 HH11 ARG 25 4.252 10.648 -6.957 192 HH12 ARG 25 HH12 ARG 25 4.647 10.129 -8.555 193 HH21 ARG 25 HH21 ARG 25 8.012 11.257 -8.475 194 HH22 ARG 25 HH22 ARG 25 6.758 10.634 -9.480 195 H VAL 26 H VAL 26 3.598 8.962 -2.721 196 HA VAL 26 HA VAL 26 3.510 7.149 -0.419 197 HB VAL 26 HB VAL 26 1.507 7.554 -2.661 198 HG11 VAL 26 HG11 VAL 26 1.112 5.477 -1.408 199 HG12 VAL 26 HG12 VAL 26 1.259 6.336 0.138 200 HG13 VAL 26 HG13 VAL 26 -0.107 6.662 -0.946 201 HG21 VAL 26 HG21 VAL 26 1.818 9.705 -1.551 202 HG22 VAL 26 HG22 VAL 26 0.296 9.009 -1.012 203 HG23 VAL 26 HG23 VAL 26 1.718 8.939 0.057 204 H TYR 27 H TYR 27 3.536 4.846 -0.600 205 HA TYR 27 HA TYR 27 3.839 3.553 -3.173 206 HB2 TYR 27 HB2 TYR 27 6.071 2.793 -2.915 207 HB3 TYR 27 HB3 TYR 27 6.148 4.529 -2.695 208 HD1 TYR 27 HD2 TYR 27 6.016 5.383 -0.151 209 HD2 TYR 27 HD1 TYR 27 7.168 1.412 -1.384 210 HE1 TYR 27 HE2 TYR 27 7.044 5.002 2.054 211 HE2 TYR 27 HE1 TYR 27 8.184 1.021 0.817 212 HH TYR 27 HH TYR 27 7.923 3.424 3.483 213 H TYR 28 H TYR 28 4.564 1.081 -2.488 214 HA TYR 28 HA TYR 28 2.944 0.339 -0.105 215 HB2 TYR 28 HB2 TYR 28 3.368 -1.183 -2.713 216 HB3 TYR 28 HB3 TYR 28 2.402 -1.699 -1.338 217 HD1 TYR 28 HD1 TYR 28 0.677 0.368 -0.542 218 HD2 TYR 28 HD2 TYR 28 2.129 -0.370 -4.504 219 HE1 TYR 28 HE1 TYR 28 -1.225 1.650 -1.460 220 HE2 TYR 28 HE2 TYR 28 0.137 0.733 -5.465 221 HH TYR 28 HH TYR 28 -2.037 1.601 -4.898 222 H PHE 29 H PHE 29 3.826 -1.258 1.224 223 HA PHE 29 HA PHE 29 6.638 -2.126 0.690 224 HB2 PHE 29 HB2 PHE 29 6.553 -0.106 2.132 225 HB3 PHE 29 HB3 PHE 29 5.447 -0.932 3.234 226 HD1 PHE 29 HD2 PHE 29 6.257 -3.081 4.405 227 HD2 PHE 29 HD1 PHE 29 8.927 -0.356 2.365 228 HE1 PHE 29 HE2 PHE 29 8.206 -4.055 5.608 229 HE2 PHE 29 HE1 PHE 29 10.845 -1.351 3.555 230 HZ PHE 29 HZ PHE 29 10.464 -3.225 5.146 231 H ASN 30 H ASN 30 6.863 -4.315 1.045 232 HA ASN 30 HA ASN 30 4.580 -5.772 2.286 233 HB2 ASN 30 HB2 ASN 30 5.455 -6.442 0.048 234 HB3 ASN 30 HB3 ASN 30 6.952 -6.933 0.832 235 HD21 ASN 30 HD21 ASN 30 5.632 -8.966 -0.509 236 HD22 ASN 30 HD22 ASN 30 4.886 -10.014 0.653 237 H HIS 31 H HIS 31 4.803 -6.010 4.509 238 HA HIS 31 HA HIS 31 7.447 -5.964 5.729 239 HB2 HIS 31 HB2 HIS 31 6.370 -6.200 7.828 240 HB3 HIS 31 HB3 HIS 31 5.447 -5.058 6.863 241 HD1 HIS 31 HD1 HIS 31 5.163 -8.620 8.302 242 HD2 HIS 31 HD2 HIS 31 2.957 -5.687 6.246 243 HE1 HIS 31 HE1 HIS 31 2.724 -9.330 8.430 244 H ILE 32 H ILE 32 5.778 -8.442 4.165 245 HA ILE 32 HA ILE 32 6.686 -10.658 5.851 246 HB ILE 32 HB ILE 32 5.777 -10.571 2.941 247 HG12 ILE 32 HG12 ILE 32 4.322 -11.570 5.441 248 HG13 ILE 32 HG13 ILE 32 4.106 -9.959 4.767 249 HG21 ILE 32 HG21 ILE 32 6.313 -13.028 4.637 250 HG22 ILE 32 HG22 ILE 32 5.511 -13.020 3.050 251 HG23 ILE 32 HG23 ILE 32 7.178 -12.522 3.163 252 HD11 ILE 32 HD11 ILE 32 2.325 -11.225 3.955 253 HD12 ILE 32 HD12 ILE 32 3.417 -11.013 2.580 254 HD13 ILE 32 HD13 ILE 32 3.349 -12.574 3.445 255 H THR 33 H THR 33 8.002 -9.018 2.923 256 HA THR 33 HA THR 33 10.571 -10.436 3.442 257 HB THR 33 HB THR 33 9.248 -11.456 1.599 258 HG1 THR 33 HG1 THR 33 11.021 -11.594 0.238 259 HG21 THR 33 HG21 THR 33 9.880 -8.903 0.114 260 HG22 THR 33 HG22 THR 33 8.249 -9.380 0.659 261 HG23 THR 33 HG23 THR 33 9.094 -10.346 -0.556 262 H ASN 34 H ASN 34 9.255 -7.522 3.833 263 HA ASN 34 HA ASN 34 10.102 -5.439 3.968 264 HB2 ASN 34 HB2 ASN 34 12.080 -6.797 4.957 265 HB3 ASN 34 HB3 ASN 34 12.897 -6.483 3.432 266 HD21 ASN 34 HD21 ASN 34 12.736 -3.930 2.834 267 HD22 ASN 34 HD22 ASN 34 13.078 -2.834 4.185 268 H ALA 35 H ALA 35 9.207 -6.624 1.411 269 HA ALA 35 HA ALA 35 10.864 -5.346 -0.661 270 HB1 ALA 35 HB1 ALA 35 8.305 -6.996 -0.808 271 HB2 ALA 35 HB2 ALA 35 8.973 -6.137 -2.200 272 HB3 ALA 35 HB3 ALA 35 9.928 -7.386 -1.422 273 H SER 36 H SER 36 9.448 -4.014 -2.256 274 HA SER 36 HA SER 36 7.395 -2.385 -1.223 275 HB2 SER 36 HB2 SER 36 8.660 -0.935 -0.089 276 HB3 SER 36 HB3 SER 36 10.166 -1.596 -0.714 277 HG SER 36 HG SER 36 10.142 0.449 -1.402 278 H GLN 37 H GLN 37 6.390 -1.239 -2.892 279 HA GLN 37 HA GLN 37 7.672 -0.855 -5.401 280 HB2 GLN 37 HB2 GLN 37 5.674 -3.140 -5.118 281 HB3 GLN 37 HB3 GLN 37 5.622 -2.143 -6.561 282 HG2 GLN 37 HG2 GLN 37 8.310 -2.642 -6.456 283 HG3 GLN 37 HG3 GLN 37 7.658 -4.128 -5.772 284 HE21 GLN 37 HE21 GLN 37 6.409 -5.514 -7.216 285 HE22 GLN 37 HE22 GLN 37 6.401 -5.231 -8.953 286 H TRP 38 H TRP 38 5.936 0.011 -6.982 287 HA TRP 38 HA TRP 38 4.297 1.974 -5.468 288 HB2 TRP 38 HB2 TRP 38 5.282 2.052 -8.332 289 HB3 TRP 38 HB3 TRP 38 4.590 3.381 -7.390 290 HD1 TRP 38 HD1 TRP 38 7.778 1.225 -7.646 291 HE1 TRP 38 HE1 TRP 38 9.652 2.296 -6.268 292 HE3 TRP 38 HE3 TRP 38 5.215 5.150 -5.602 293 HZ2 TRP 38 HZ2 TRP 38 10.132 4.829 -4.955 294 HZ3 TRP 38 HZ3 TRP 38 6.404 6.876 -4.302 295 HH2 TRP 38 HH2 TRP 38 8.875 6.759 -4.023 296 H GLU 39 H GLU 39 4.167 -0.611 -7.886 297 HA GLU 39 HA GLU 39 1.565 -0.049 -8.907 298 HB2 GLU 39 HB2 GLU 39 1.848 -2.142 -10.042 299 HB3 GLU 39 HB3 GLU 39 3.319 -1.260 -10.057 300 HG2 GLU 39 HG2 GLU 39 4.087 -3.373 -9.617 301 HG3 GLU 39 HG3 GLU 39 4.061 -2.696 -8.007 302 H ARG 40 H ARG 40 -0.411 -1.216 -8.396 303 HA ARG 40 HA ARG 40 -0.823 -1.716 -5.594 304 HB2 ARG 40 HB2 ARG 40 -2.503 -1.935 -8.099 305 HB3 ARG 40 HB3 ARG 40 -3.121 -2.520 -6.538 306 HG2 ARG 40 HG2 ARG 40 -3.021 -0.402 -5.525 307 HG3 ARG 40 HG3 ARG 40 -1.907 0.261 -6.721 308 HD2 ARG 40 HD2 ARG 40 -3.642 0.316 -8.439 309 HD3 ARG 40 HD3 ARG 40 -4.743 -0.569 -7.391 310 HE ARG 40 HE ARG 40 -5.179 1.235 -6.099 311 HH11 ARG 40 HH11 ARG 40 -2.715 2.311 -8.486 312 HH12 ARG 40 HH12 ARG 40 -3.163 3.965 -8.383 313 HH21 ARG 40 HH21 ARG 40 -5.935 3.444 -6.231 314 HH22 ARG 40 HH22 ARG 40 -4.981 4.602 -7.082 315 HA PRO 41 HA PRO 41 0.763 -5.942 -6.090 316 HB2 PRO 41 HB2 PRO 41 1.019 -6.591 -3.459 317 HB3 PRO 41 HB3 PRO 41 2.113 -5.472 -4.315 318 HG2 PRO 41 HG2 PRO 41 -0.296 -4.807 -2.606 319 HG3 PRO 41 HG3 PRO 41 1.347 -4.105 -2.485 320 HD2 PRO 41 HD2 PRO 41 -0.646 -2.858 -3.851 321 HD3 PRO 41 HD3 PRO 41 1.042 -2.807 -4.370 322 H SER 42 H SER 42 0.258 -8.095 -4.958 323 HA SER 42 HA SER 42 -2.483 -8.600 -4.205 324 HB2 SER 42 HB2 SER 42 -2.304 -10.561 -6.015 325 HB3 SER 42 HB3 SER 42 -2.998 -8.984 -6.403 326 HG SER 42 HG SER 42 -1.145 -8.368 -7.424 327 H GLY 43 H GLY 43 -2.298 -9.903 -2.528 328 HA2 GLY 43 HA2 GLY 43 -0.041 -11.775 -2.110 329 HA3 GLY 43 HA3 GLY 43 -0.540 -10.643 -0.825 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -14.803 10.779 -4.893 2 HA2 GLY 1 HA2 GLY 1 -13.131 9.089 -4.219 3 HA3 GLY 1 HA3 GLY 1 -12.252 10.415 -3.424 4 H LEU 2 H LEU 2 -15.249 8.493 -3.449 5 HA LEU 2 HA LEU 2 -15.509 8.554 -0.588 6 HB2 LEU 2 HB2 LEU 2 -17.749 9.352 -0.502 7 HB3 LEU 2 HB3 LEU 2 -16.760 10.628 -1.174 8 HG LEU 2 HG LEU 2 -18.557 8.766 -2.831 9 HD11 LEU 2 HD11 LEU 2 -19.782 10.191 -1.203 10 HD12 LEU 2 HD12 LEU 2 -20.138 10.572 -2.884 11 HD13 LEU 2 HD13 LEU 2 -19.043 11.632 -1.934 12 HD21 LEU 2 HD21 LEU 2 -16.906 9.748 -4.302 13 HD22 LEU 2 HD22 LEU 2 -17.058 11.342 -3.505 14 HD23 LEU 2 HD23 LEU 2 -18.379 10.680 -4.488 15 H GLU 3 H GLU 3 -17.206 6.861 -0.050 16 HA GLU 3 HA GLU 3 -18.062 4.767 -0.308 17 HB2 GLU 3 HB2 GLU 3 -19.270 6.234 -2.238 18 HB3 GLU 3 HB3 GLU 3 -18.410 5.123 -3.271 19 HG2 GLU 3 HG2 GLU 3 -20.364 3.985 -3.051 20 HG3 GLU 3 HG3 GLU 3 -19.506 3.275 -1.693 21 H HIS 4 H HIS 4 -15.187 5.496 -1.020 22 HA HIS 4 HA HIS 4 -14.174 3.481 -2.836 23 HB2 HIS 4 HB2 HIS 4 -12.032 4.522 -2.388 24 HB3 HIS 4 HB3 HIS 4 -13.238 5.763 -2.668 25 HD1 HIS 4 HD1 HIS 4 -11.251 4.204 0.254 26 HD2 HIS 4 HD2 HIS 4 -13.458 7.619 -0.818 27 HE1 HIS 4 HE1 HIS 4 -10.989 5.866 2.174 28 H MET 5 H MET 5 -15.152 3.318 0.371 29 HA MET 5 HA MET 5 -13.063 1.630 1.473 30 HB2 MET 5 HB2 MET 5 -14.595 3.084 2.810 31 HB3 MET 5 HB3 MET 5 -15.957 2.075 2.355 32 HG2 MET 5 HG2 MET 5 -13.550 1.338 4.038 33 HG3 MET 5 HG3 MET 5 -15.206 1.536 4.575 34 HE1 MET 5 HE1 MET 5 -15.502 -0.533 5.896 35 HE2 MET 5 HE2 MET 5 -15.028 -2.179 5.407 36 HE3 MET 5 HE3 MET 5 -13.795 -0.943 5.722 37 H ALA 6 H ALA 6 -12.735 -0.321 0.517 38 HA ALA 6 HA ALA 6 -14.980 -2.156 0.130 39 HB1 ALA 6 HB1 ALA 6 -14.245 -2.758 -2.147 40 HB2 ALA 6 HB2 ALA 6 -14.721 -1.056 -2.080 41 HB3 ALA 6 HB3 ALA 6 -12.995 -1.494 -2.102 42 H ASP 7 H ASP 7 -13.911 -4.387 -0.484 43 HA ASP 7 HA ASP 7 -11.921 -4.968 1.504 44 HB2 ASP 7 HB2 ASP 7 -12.953 -6.624 -0.811 45 HB3 ASP 7 HB3 ASP 7 -11.835 -7.225 0.416 46 H GLU 8 H GLU 8 -11.704 -3.978 -1.817 47 HA GLU 8 HA GLU 8 -9.081 -4.857 -2.547 48 HB2 GLU 8 HB2 GLU 8 -10.723 -3.854 -4.131 49 HB3 GLU 8 HB3 GLU 8 -10.629 -2.325 -3.267 50 HG2 GLU 8 HG2 GLU 8 -7.973 -2.703 -3.949 51 HG3 GLU 8 HG3 GLU 8 -8.785 -3.537 -5.265 52 H GLU 9 H GLU 9 -10.262 -2.164 -0.656 53 HA GLU 9 HA GLU 9 -7.999 -0.532 -0.508 54 HB2 GLU 9 HB2 GLU 9 -10.439 -0.116 0.087 55 HB3 GLU 9 HB3 GLU 9 -10.099 -0.853 1.653 56 HG2 GLU 9 HG2 GLU 9 -8.540 1.500 0.524 57 HG3 GLU 9 HG3 GLU 9 -10.038 1.701 1.438 58 H LYS 10 H LYS 10 -8.678 -3.584 1.101 59 HA LYS 10 HA LYS 10 -6.621 -3.261 3.168 60 HB2 LYS 10 HB2 LYS 10 -8.480 -5.563 2.398 61 HB3 LYS 10 HB3 LYS 10 -7.220 -5.688 3.586 62 HG2 LYS 10 HG2 LYS 10 -8.983 -5.166 4.962 63 HG3 LYS 10 HG3 LYS 10 -8.292 -3.571 4.688 64 HD2 LYS 10 HD2 LYS 10 -10.097 -3.751 2.586 65 HD3 LYS 10 HD3 LYS 10 -10.880 -4.757 3.799 66 HE2 LYS 10 HE2 LYS 10 -10.761 -2.870 5.421 67 HE3 LYS 10 HE3 LYS 10 -9.876 -1.895 4.232 68 HZ1 LYS 10 HZ1 LYS 10 -11.836 -2.085 2.785 69 HZ2 LYS 10 HZ2 LYS 10 -12.126 -1.293 4.213 70 HZ3 LYS 10 HZ3 LYS 10 -12.648 -2.858 3.985 71 H LEU 11 H LEU 11 -4.529 -3.283 2.416 72 HA LEU 11 HA LEU 11 -3.778 -4.435 -0.047 73 HB2 LEU 11 HB2 LEU 11 -2.397 -3.388 2.413 74 HB3 LEU 11 HB3 LEU 11 -1.418 -4.348 1.334 75 HG LEU 11 HG LEU 11 -1.306 -1.901 0.926 76 HD11 LEU 11 HD11 LEU 11 -2.442 -3.496 -1.431 77 HD12 LEU 11 HD12 LEU 11 -0.743 -3.412 -0.889 78 HD13 LEU 11 HD13 LEU 11 -1.559 -2.007 -1.573 79 HD21 LEU 11 HD21 LEU 11 -3.554 -1.130 1.337 80 HD22 LEU 11 HD22 LEU 11 -4.233 -2.169 0.057 81 HD23 LEU 11 HD23 LEU 11 -3.226 -0.830 -0.367 82 HA PRO 12 HA PRO 12 -3.597 -8.686 0.657 83 HB2 PRO 12 HB2 PRO 12 -1.251 -9.472 -0.626 84 HB3 PRO 12 HB3 PRO 12 -2.844 -9.174 -1.375 85 HG2 PRO 12 HG2 PRO 12 -0.426 -7.417 -1.256 86 HG3 PRO 12 HG3 PRO 12 -1.626 -7.584 -2.573 87 HD2 PRO 12 HD2 PRO 12 -1.574 -5.523 -0.725 88 HD3 PRO 12 HD3 PRO 12 -3.055 -6.056 -1.566 89 HA PRO 13 HA PRO 13 -1.247 -9.823 4.151 90 HB2 PRO 13 HB2 PRO 13 -0.597 -12.484 3.745 91 HB3 PRO 13 HB3 PRO 13 -2.205 -11.879 4.220 92 HG2 PRO 13 HG2 PRO 13 -1.217 -12.531 1.419 93 HG3 PRO 13 HG3 PRO 13 -2.770 -13.009 2.171 94 HD2 PRO 13 HD2 PRO 13 -2.671 -10.932 0.526 95 HD3 PRO 13 HD3 PRO 13 -3.640 -10.801 2.022 96 H GLY 14 H GLY 14 0.609 -8.948 4.491 97 HA2 GLY 14 HA2 GLY 14 3.025 -9.323 4.713 98 HA3 GLY 14 HA3 GLY 14 3.068 -9.736 2.997 99 H TRP 15 H TRP 15 1.105 -7.570 2.230 100 HA TRP 15 HA TRP 15 3.114 -5.449 2.109 101 HB2 TRP 15 HB2 TRP 15 0.440 -5.877 0.743 102 HB3 TRP 15 HB3 TRP 15 1.424 -4.447 0.529 103 HD1 TRP 15 HD1 TRP 15 1.560 -8.231 -0.276 104 HE1 TRP 15 HE1 TRP 15 3.171 -8.573 -2.239 105 HE3 TRP 15 HE3 TRP 15 3.461 -3.502 -0.544 106 HZ2 TRP 15 HZ2 TRP 15 4.983 -6.901 -3.841 107 HZ3 TRP 15 HZ3 TRP 15 5.095 -2.891 -2.303 108 HH2 TRP 15 HH2 TRP 15 5.878 -4.603 -3.942 109 H GLU 16 H GLU 16 2.593 -3.283 2.607 110 HA GLU 16 HA GLU 16 0.306 -2.607 4.381 111 HB2 GLU 16 HB2 GLU 16 3.308 -2.407 4.885 112 HB3 GLU 16 HB3 GLU 16 2.227 -1.276 5.660 113 HG2 GLU 16 HG2 GLU 16 1.692 -4.240 5.939 114 HG3 GLU 16 HG3 GLU 16 2.946 -3.468 6.904 115 H LYS 17 H LYS 17 -0.531 -0.704 3.786 116 HA LYS 17 HA LYS 17 0.758 0.940 1.731 117 HB2 LYS 17 HB2 LYS 17 -1.630 0.544 1.739 118 HB3 LYS 17 HB3 LYS 17 -1.790 1.168 3.388 119 HG2 LYS 17 HG2 LYS 17 -1.082 3.432 2.609 120 HG3 LYS 17 HG3 LYS 17 -0.986 2.819 0.946 121 HD2 LYS 17 HD2 LYS 17 -3.376 2.202 1.037 122 HD3 LYS 17 HD3 LYS 17 -3.478 2.724 2.727 123 HE2 LYS 17 HE2 LYS 17 -2.891 5.048 2.030 124 HE3 LYS 17 HE3 LYS 17 -2.861 4.486 0.338 125 HZ1 LYS 17 HZ1 LYS 17 -4.979 5.410 0.692 126 HZ2 LYS 17 HZ2 LYS 17 -5.238 4.603 2.094 127 HZ3 LYS 17 HZ3 LYS 17 -5.196 3.782 0.694 128 H ARG 18 H ARG 18 2.134 2.554 2.155 129 HA ARG 18 HA ARG 18 2.077 3.813 4.834 130 HB2 ARG 18 HB2 ARG 18 4.606 2.916 3.383 131 HB3 ARG 18 HB3 ARG 18 4.547 3.866 4.860 132 HG2 ARG 18 HG2 ARG 18 2.987 1.678 5.549 133 HG3 ARG 18 HG3 ARG 18 4.194 0.945 4.492 134 HD2 ARG 18 HD2 ARG 18 5.998 1.823 5.901 135 HD3 ARG 18 HD3 ARG 18 4.849 2.801 6.823 136 HE ARG 18 HE ARG 18 3.897 0.902 7.832 137 HH11 ARG 18 HH11 ARG 18 6.962 0.056 6.209 138 HH12 ARG 18 HH12 ARG 18 6.739 -1.642 6.480 139 HH21 ARG 18 HH21 ARG 18 3.869 -1.129 8.490 140 HH22 ARG 18 HH22 ARG 18 5.089 -2.311 8.105 141 H MET 19 H MET 19 3.635 5.801 4.714 142 HA MET 19 HA MET 19 3.347 7.175 2.129 143 HB2 MET 19 HB2 MET 19 1.533 7.886 3.758 144 HB3 MET 19 HB3 MET 19 2.836 8.414 4.847 145 HG2 MET 19 HG2 MET 19 3.694 9.792 2.846 146 HG3 MET 19 HG3 MET 19 2.158 9.438 2.064 147 HE1 MET 19 HE1 MET 19 2.970 12.204 5.659 148 HE2 MET 19 HE2 MET 19 3.110 10.451 5.871 149 HE3 MET 19 HE3 MET 19 4.159 11.292 4.712 150 H GLU 20 H GLU 20 5.196 8.219 1.573 151 HA GLU 20 HA GLU 20 7.562 7.617 3.078 152 HB2 GLU 20 HB2 GLU 20 7.135 9.410 0.662 153 HB3 GLU 20 HB3 GLU 20 8.720 9.065 1.345 154 HG2 GLU 20 HG2 GLU 20 6.797 7.007 0.214 155 HG3 GLU 20 HG3 GLU 20 8.156 7.699 -0.638 156 H ARG 21 H ARG 21 8.667 8.726 4.539 157 HA ARG 21 HA ARG 21 7.411 11.135 5.587 158 HB2 ARG 21 HB2 ARG 21 10.083 9.913 6.385 159 HB3 ARG 21 HB3 ARG 21 9.135 11.103 7.286 160 HG2 ARG 21 HG2 ARG 21 7.233 9.431 7.360 161 HG3 ARG 21 HG3 ARG 21 8.315 8.223 6.668 162 HD2 ARG 21 HD2 ARG 21 9.761 8.263 8.577 163 HD3 ARG 21 HD3 ARG 21 8.916 9.662 9.273 164 HE ARG 21 HE ARG 21 6.847 8.129 9.213 165 HH11 ARG 21 HH11 ARG 21 9.977 7.310 10.495 166 HH12 ARG 21 HH12 ARG 21 9.575 5.692 10.992 167 HH21 ARG 21 HH21 ARG 21 6.133 6.175 10.039 168 HH22 ARG 21 HH22 ARG 21 7.170 5.235 11.080 169 H SER 22 H SER 22 10.074 10.510 3.285 170 HA SER 22 HA SER 22 11.208 13.121 3.591 171 HB2 SER 22 HB2 SER 22 12.320 12.535 1.399 172 HB3 SER 22 HB3 SER 22 12.581 11.389 2.719 173 HG SER 22 HG SER 22 12.116 10.326 0.819 174 H SER 23 H SER 23 8.783 11.827 1.320 175 HA SER 23 HA SER 23 8.403 14.617 0.271 176 HB2 SER 23 HB2 SER 23 7.931 12.006 -1.159 177 HB3 SER 23 HB3 SER 23 7.904 13.635 -1.831 178 HG SER 23 HG SER 23 9.989 13.278 -2.197 179 H GLY 24 H GLY 24 6.705 12.099 1.986 180 HA2 GLY 24 HA2 GLY 24 4.510 12.065 2.651 181 HA3 GLY 24 HA3 GLY 24 4.341 13.692 1.933 182 H ARG 25 H ARG 25 5.129 10.428 0.669 183 HA ARG 25 HA ARG 25 2.922 10.748 -1.318 184 HB2 ARG 25 HB2 ARG 25 5.565 11.002 -1.939 185 HB3 ARG 25 HB3 ARG 25 5.440 9.256 -1.987 186 HG2 ARG 25 HG2 ARG 25 5.030 10.067 -4.182 187 HG3 ARG 25 HG3 ARG 25 3.435 9.564 -3.596 188 HD2 ARG 25 HD2 ARG 25 2.740 11.814 -3.203 189 HD3 ARG 25 HD3 ARG 25 4.375 12.429 -3.247 190 HE ARG 25 HE ARG 25 2.560 12.332 -5.362 191 HH11 ARG 25 HH11 ARG 25 6.093 12.129 -4.939 192 HH12 ARG 25 HH12 ARG 25 6.402 11.959 -6.626 193 HH21 ARG 25 HH21 ARG 25 3.016 12.207 -7.588 194 HH22 ARG 25 HH22 ARG 25 4.633 12.038 -8.161 195 H VAL 26 H VAL 26 1.562 9.051 -1.380 196 HA VAL 26 HA VAL 26 1.972 6.934 0.600 197 HB VAL 26 HB VAL 26 -0.311 7.064 -1.354 198 HG11 VAL 26 HG11 VAL 26 -0.161 5.025 0.001 199 HG12 VAL 26 HG12 VAL 26 -0.093 6.004 1.488 200 HG13 VAL 26 HG13 VAL 26 -1.545 6.031 0.467 201 HG21 VAL 26 HG21 VAL 26 -0.257 9.282 -0.381 202 HG22 VAL 26 HG22 VAL 26 -1.550 8.375 0.377 203 HG23 VAL 26 HG23 VAL 26 -0.008 8.611 1.253 204 H TYR 27 H TYR 27 2.245 4.709 0.153 205 HA TYR 27 HA TYR 27 2.451 3.702 -2.540 206 HB2 TYR 27 HB2 TYR 27 4.790 3.224 -2.532 207 HB3 TYR 27 HB3 TYR 27 4.643 4.922 -2.164 208 HD1 TYR 27 HD2 TYR 27 4.691 5.620 0.382 209 HD2 TYR 27 HD1 TYR 27 6.091 1.841 -1.138 210 HE1 TYR 27 HE2 TYR 27 6.164 5.368 2.352 211 HE2 TYR 27 HE1 TYR 27 7.519 1.554 0.832 212 HH TYR 27 HH TYR 27 8.158 4.346 2.914 213 H TYR 28 H TYR 28 3.610 1.319 -2.133 214 HA TYR 28 HA TYR 28 2.352 0.158 0.317 215 HB2 TYR 28 HB2 TYR 28 2.677 -1.023 -2.456 216 HB3 TYR 28 HB3 TYR 28 1.942 -1.805 -1.065 217 HD1 TYR 28 HD1 TYR 28 0.055 -0.084 0.083 218 HD2 TYR 28 HD2 TYR 28 1.118 -0.277 -4.068 219 HE1 TYR 28 HE1 TYR 28 -2.105 0.919 -0.478 220 HE2 TYR 28 HE2 TYR 28 -1.093 0.629 -4.694 221 HH TYR 28 HH TYR 28 -3.240 1.323 -3.880 222 H PHE 29 H PHE 29 3.592 -1.355 1.458 223 HA PHE 29 HA PHE 29 6.367 -1.918 0.497 224 HB2 PHE 29 HB2 PHE 29 6.308 -0.016 2.125 225 HB3 PHE 29 HB3 PHE 29 5.572 -1.086 3.310 226 HD1 PHE 29 HD2 PHE 29 6.874 -3.168 4.074 227 HD2 PHE 29 HD1 PHE 29 8.711 -0.019 1.758 228 HE1 PHE 29 HE2 PHE 29 9.119 -4.033 4.651 229 HE2 PHE 29 HE1 PHE 29 10.935 -0.949 2.264 230 HZ PHE 29 HZ PHE 29 11.141 -2.912 3.766 231 H ASN 30 H ASN 30 6.935 -4.011 0.698 232 HA ASN 30 HA ASN 30 5.082 -5.915 2.082 233 HB2 ASN 30 HB2 ASN 30 5.709 -6.163 -0.362 234 HB3 ASN 30 HB3 ASN 30 7.316 -6.601 0.174 235 HD21 ASN 30 HD21 ASN 30 5.831 -8.506 -1.319 236 HD22 ASN 30 HD22 ASN 30 5.370 -9.774 -0.212 237 H HIS 31 H HIS 31 5.716 -6.370 4.246 238 HA HIS 31 HA HIS 31 8.506 -6.175 4.992 239 HB2 HIS 31 HB2 HIS 31 7.865 -6.920 7.162 240 HB3 HIS 31 HB3 HIS 31 6.634 -5.820 6.597 241 HD1 HIS 31 HD1 HIS 31 7.061 -9.496 7.543 242 HD2 HIS 31 HD2 HIS 31 4.184 -6.696 6.273 243 HE1 HIS 31 HE1 HIS 31 4.815 -10.674 7.651 244 H ILE 32 H ILE 32 6.794 -8.712 3.392 245 HA ILE 32 HA ILE 32 8.193 -10.943 4.589 246 HB ILE 32 HB ILE 32 6.803 -10.641 1.895 247 HG12 ILE 32 HG12 ILE 32 5.900 -12.115 4.416 248 HG13 ILE 32 HG13 ILE 32 5.405 -10.473 4.013 249 HG21 ILE 32 HG21 ILE 32 8.363 -12.391 1.528 250 HG22 ILE 32 HG22 ILE 32 8.057 -13.115 3.110 251 HG23 ILE 32 HG23 ILE 32 6.831 -13.172 1.824 252 HD11 ILE 32 HD11 ILE 32 4.749 -12.964 2.397 253 HD12 ILE 32 HD12 ILE 32 3.656 -11.953 3.344 254 HD13 ILE 32 HD13 ILE 32 4.409 -11.299 1.875 255 H THR 33 H THR 33 8.829 -8.868 1.734 256 HA THR 33 HA THR 33 11.554 -10.078 1.576 257 HB THR 33 HB THR 33 10.084 -10.983 -0.084 258 HG1 THR 33 HG1 THR 33 11.583 -10.954 -1.366 259 HG21 THR 33 HG21 THR 33 8.333 -9.446 -0.401 260 HG22 THR 33 HG22 THR 33 9.193 -9.485 -1.941 261 HG23 THR 33 HG23 THR 33 9.450 -8.134 -0.815 262 H ASN 34 H ASN 34 10.099 -7.424 2.710 263 HA ASN 34 HA ASN 34 10.740 -5.305 3.091 264 HB2 ASN 34 HB2 ASN 34 12.951 -6.697 3.500 265 HB3 ASN 34 HB3 ASN 34 13.512 -5.886 2.062 266 HD21 ASN 34 HD21 ASN 34 12.868 -5.646 5.441 267 HD22 ASN 34 HD22 ASN 34 13.380 -3.985 5.662 268 H ALA 35 H ALA 35 9.576 -6.036 0.592 269 HA ALA 35 HA ALA 35 10.843 -4.409 -1.527 270 HB1 ALA 35 HB1 ALA 35 10.017 -6.552 -2.265 271 HB2 ALA 35 HB2 ALA 35 8.389 -6.215 -1.611 272 HB3 ALA 35 HB3 ALA 35 9.008 -5.291 -2.958 273 H SER 36 H SER 36 9.114 -3.153 -2.795 274 HA SER 36 HA SER 36 6.933 -1.936 -1.480 275 HB2 SER 36 HB2 SER 36 8.079 -0.476 -0.245 276 HB3 SER 36 HB3 SER 36 9.612 -0.756 -1.086 277 HG SER 36 HG SER 36 9.248 1.242 -1.591 278 H GLN 37 H GLN 37 5.677 -0.720 -2.933 279 HA GLN 37 HA GLN 37 6.754 0.104 -5.449 280 HB2 GLN 37 HB2 GLN 37 5.394 -2.534 -5.234 281 HB3 GLN 37 HB3 GLN 37 4.639 -1.458 -6.397 282 HG2 GLN 37 HG2 GLN 37 7.027 -1.134 -7.375 283 HG3 GLN 37 HG3 GLN 37 7.489 -2.524 -6.384 284 HE21 GLN 37 HE21 GLN 37 7.504 -4.434 -7.660 285 HE22 GLN 37 HE22 GLN 37 6.249 -4.795 -8.797 286 H TRP 38 H TRP 38 4.636 0.810 -6.819 287 HA TRP 38 HA TRP 38 3.006 2.482 -4.966 288 HB2 TRP 38 HB2 TRP 38 3.619 2.936 -7.906 289 HB3 TRP 38 HB3 TRP 38 2.799 4.036 -6.803 290 HD1 TRP 38 HD1 TRP 38 6.219 2.555 -7.550 291 HE1 TRP 38 HE1 TRP 38 8.083 3.970 -6.436 292 HE3 TRP 38 HE3 TRP 38 3.312 5.753 -4.843 293 HZ2 TRP 38 HZ2 TRP 38 8.248 6.180 -4.602 294 HZ3 TRP 38 HZ3 TRP 38 4.356 7.423 -3.330 295 HH2 TRP 38 HH2 TRP 38 6.830 7.628 -3.190 296 H GLU 39 H GLU 39 2.933 0.184 -7.661 297 HA GLU 39 HA GLU 39 0.069 0.463 -8.141 298 HB2 GLU 39 HB2 GLU 39 2.215 -1.475 -9.097 299 HB3 GLU 39 HB3 GLU 39 0.537 -1.551 -9.632 300 HG2 GLU 39 HG2 GLU 39 2.398 0.859 -9.994 301 HG3 GLU 39 HG3 GLU 39 1.972 -0.305 -11.240 302 H ARG 40 H ARG 40 -1.517 -1.193 -7.772 303 HA ARG 40 HA ARG 40 -1.645 -2.165 -5.141 304 HB2 ARG 40 HB2 ARG 40 -3.234 -2.484 -7.672 305 HB3 ARG 40 HB3 ARG 40 -3.536 -3.629 -6.369 306 HG2 ARG 40 HG2 ARG 40 -4.181 -1.977 -4.820 307 HG3 ARG 40 HG3 ARG 40 -3.557 -0.648 -5.800 308 HD2 ARG 40 HD2 ARG 40 -5.763 -2.479 -6.803 309 HD3 ARG 40 HD3 ARG 40 -6.113 -1.038 -5.841 310 HE ARG 40 HE ARG 40 -4.507 -0.055 -7.800 311 HH11 ARG 40 HH11 ARG 40 -7.776 -1.469 -7.669 312 HH12 ARG 40 HH12 ARG 40 -8.148 -1.051 -9.298 313 HH21 ARG 40 HH21 ARG 40 -5.101 0.539 -9.962 314 HH22 ARG 40 HH22 ARG 40 -6.556 -0.003 -10.686 315 HA PRO 41 HA PRO 41 0.914 -5.781 -6.028 316 HB2 PRO 41 HB2 PRO 41 1.251 -6.683 -3.461 317 HB3 PRO 41 HB3 PRO 41 2.137 -5.303 -4.157 318 HG2 PRO 41 HG2 PRO 41 -0.331 -5.289 -2.434 319 HG3 PRO 41 HG3 PRO 41 1.110 -4.268 -2.236 320 HD2 PRO 41 HD2 PRO 41 -1.210 -3.464 -3.475 321 HD3 PRO 41 HD3 PRO 41 0.388 -2.841 -3.955 322 H SER 42 H SER 42 0.790 -8.155 -4.986 323 HA SER 42 HA SER 42 -1.911 -9.093 -4.570 324 HB2 SER 42 HB2 SER 42 -1.178 -10.854 -6.475 325 HB3 SER 42 HB3 SER 42 -2.009 -9.357 -6.890 326 HG SER 42 HG SER 42 -0.189 -8.490 -7.660 327 H GLY 43 H GLY 43 -1.765 -10.423 -2.984 328 HA2 GLY 43 HA2 GLY 43 0.684 -12.050 -2.426 329 HA3 GLY 43 HA3 GLY 43 -0.244 -11.272 -1.134 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -15.834 12.137 4.045 2 HA2 GLY 1 HA2 GLY 1 -17.079 11.709 1.996 3 HA3 GLY 1 HA3 GLY 1 -15.598 12.058 1.086 4 H LEU 2 H LEU 2 -14.805 10.205 0.295 5 HA LEU 2 HA LEU 2 -14.210 8.042 -0.006 6 HB2 LEU 2 HB2 LEU 2 -13.294 8.552 2.828 7 HB3 LEU 2 HB3 LEU 2 -12.857 7.086 1.973 8 HG LEU 2 HG LEU 2 -12.249 9.723 0.664 9 HD11 LEU 2 HD11 LEU 2 -10.047 9.754 1.820 10 HD12 LEU 2 HD12 LEU 2 -10.633 8.488 2.917 11 HD13 LEU 2 HD13 LEU 2 -11.403 10.081 2.904 12 HD21 LEU 2 HD21 LEU 2 -11.884 7.506 -0.498 13 HD22 LEU 2 HD22 LEU 2 -10.765 7.058 0.788 14 HD23 LEU 2 HD23 LEU 2 -10.373 8.423 -0.262 15 H GLU 3 H GLU 3 -16.982 8.175 0.448 16 HA GLU 3 HA GLU 3 -17.686 6.105 2.395 17 HB2 GLU 3 HB2 GLU 3 -19.930 6.554 1.842 18 HB3 GLU 3 HB3 GLU 3 -19.105 8.096 1.920 19 HG2 GLU 3 HG2 GLU 3 -19.929 8.585 -0.120 20 HG3 GLU 3 HG3 GLU 3 -18.939 7.335 -0.827 21 H HIS 4 H HIS 4 -16.857 6.148 -0.961 22 HA HIS 4 HA HIS 4 -18.299 3.892 -1.869 23 HB2 HIS 4 HB2 HIS 4 -15.563 4.923 -2.758 24 HB3 HIS 4 HB3 HIS 4 -16.628 3.858 -3.677 25 HD1 HIS 4 HD1 HIS 4 -19.392 5.353 -3.394 26 HD2 HIS 4 HD2 HIS 4 -15.661 7.214 -4.076 27 HE1 HIS 4 HE1 HIS 4 -19.911 7.671 -4.260 28 H MET 5 H MET 5 -18.191 1.869 -1.182 29 HA MET 5 HA MET 5 -16.594 0.935 0.885 30 HB2 MET 5 HB2 MET 5 -17.890 -0.842 -1.210 31 HB3 MET 5 HB3 MET 5 -17.418 -1.264 0.426 32 HG2 MET 5 HG2 MET 5 -19.108 0.519 1.210 33 HG3 MET 5 HG3 MET 5 -19.683 0.535 -0.456 34 HE1 MET 5 HE1 MET 5 -22.101 -0.328 -0.266 35 HE2 MET 5 HE2 MET 5 -22.610 -1.503 0.949 36 HE3 MET 5 HE3 MET 5 -21.873 0.041 1.454 37 H ALA 6 H ALA 6 -14.455 1.198 0.690 38 HA ALA 6 HA ALA 6 -12.947 0.068 -1.593 39 HB1 ALA 6 HB1 ALA 6 -12.344 2.314 -0.853 40 HB2 ALA 6 HB2 ALA 6 -12.066 1.723 0.812 41 HB3 ALA 6 HB3 ALA 6 -11.045 1.166 -0.530 42 H ASP 7 H ASP 7 -13.144 -2.080 -1.293 43 HA ASP 7 HA ASP 7 -12.396 -3.372 1.312 44 HB2 ASP 7 HB2 ASP 7 -14.254 -4.083 -0.950 45 HB3 ASP 7 HB3 ASP 7 -13.316 -5.382 -0.231 46 H GLU 8 H GLU 8 -11.972 -3.351 -2.250 47 HA GLU 8 HA GLU 8 -9.853 -5.259 -2.324 48 HB2 GLU 8 HB2 GLU 8 -9.693 -4.613 -4.644 49 HB3 GLU 8 HB3 GLU 8 -11.397 -4.554 -4.154 50 HG2 GLU 8 HG2 GLU 8 -10.959 -2.006 -3.730 51 HG3 GLU 8 HG3 GLU 8 -9.504 -2.256 -4.697 52 H GLU 9 H GLU 9 -9.906 -1.997 -1.439 53 HA GLU 9 HA GLU 9 -7.268 -1.114 -2.053 54 HB2 GLU 9 HB2 GLU 9 -9.320 0.215 -1.573 55 HB3 GLU 9 HB3 GLU 9 -9.273 -0.343 0.101 56 HG2 GLU 9 HG2 GLU 9 -8.514 1.861 0.027 57 HG3 GLU 9 HG3 GLU 9 -7.114 0.881 0.415 58 H LYS 10 H LYS 10 -8.354 -3.526 0.185 59 HA LYS 10 HA LYS 10 -6.333 -3.112 2.236 60 HB2 LYS 10 HB2 LYS 10 -8.471 -5.169 1.596 61 HB3 LYS 10 HB3 LYS 10 -7.284 -5.435 2.857 62 HG2 LYS 10 HG2 LYS 10 -9.456 -4.498 3.654 63 HG3 LYS 10 HG3 LYS 10 -8.006 -3.613 4.136 64 HD2 LYS 10 HD2 LYS 10 -8.517 -1.871 2.405 65 HD3 LYS 10 HD3 LYS 10 -10.054 -2.730 2.078 66 HE2 LYS 10 HE2 LYS 10 -10.598 -2.457 4.507 67 HE3 LYS 10 HE3 LYS 10 -9.036 -1.626 4.698 68 HZ1 LYS 10 HZ1 LYS 10 -11.221 -0.647 2.952 69 HZ2 LYS 10 HZ2 LYS 10 -9.791 0.101 3.247 70 HZ3 LYS 10 HZ3 LYS 10 -10.848 -0.065 4.473 71 H LEU 11 H LEU 11 -4.399 -3.334 1.508 72 HA LEU 11 HA LEU 11 -3.454 -4.719 -0.695 73 HB2 LEU 11 HB2 LEU 11 -2.177 -3.727 1.865 74 HB3 LEU 11 HB3 LEU 11 -1.197 -4.673 0.785 75 HG LEU 11 HG LEU 11 -0.969 -2.232 0.441 76 HD11 LEU 11 HD11 LEU 11 -0.367 -3.657 -1.403 77 HD12 LEU 11 HD12 LEU 11 -1.198 -2.251 -2.072 78 HD13 LEU 11 HD13 LEU 11 -2.056 -3.757 -1.970 79 HD21 LEU 11 HD21 LEU 11 -3.360 -1.609 0.875 80 HD22 LEU 11 HD22 LEU 11 -3.786 -2.302 -0.715 81 HD23 LEU 11 HD23 LEU 11 -2.733 -0.926 -0.620 82 HA PRO 12 HA PRO 12 -3.277 -8.995 0.112 83 HB2 PRO 12 HB2 PRO 12 -0.870 -9.768 -1.075 84 HB3 PRO 12 HB3 PRO 12 -2.386 -9.394 -1.946 85 HG2 PRO 12 HG2 PRO 12 0.012 -7.653 -1.454 86 HG3 PRO 12 HG3 PRO 12 -0.952 -7.816 -2.940 87 HD2 PRO 12 HD2 PRO 12 -1.228 -5.762 -1.178 88 HD3 PRO 12 HD3 PRO 12 -2.610 -6.382 -2.120 89 HA PRO 13 HA PRO 13 -0.997 -9.962 3.639 90 HB2 PRO 13 HB2 PRO 13 -0.297 -12.589 3.488 91 HB3 PRO 13 HB3 PRO 13 -1.971 -12.013 3.637 92 HG2 PRO 13 HG2 PRO 13 -0.618 -12.760 1.052 93 HG3 PRO 13 HG3 PRO 13 -2.197 -13.332 1.700 94 HD2 PRO 13 HD2 PRO 13 -2.081 -11.268 -0.008 95 HD3 PRO 13 HD3 PRO 13 -3.191 -11.169 1.381 96 H GLY 14 H GLY 14 0.735 -9.004 4.110 97 HA2 GLY 14 HA2 GLY 14 3.121 -9.184 4.542 98 HA3 GLY 14 HA3 GLY 14 3.361 -9.673 2.865 99 H TRP 15 H TRP 15 1.313 -7.644 1.875 100 HA TRP 15 HA TRP 15 3.191 -5.415 1.768 101 HB2 TRP 15 HB2 TRP 15 0.667 -6.081 0.272 102 HB3 TRP 15 HB3 TRP 15 1.545 -4.572 0.082 103 HD1 TRP 15 HD1 TRP 15 1.950 -8.333 -0.662 104 HE1 TRP 15 HE1 TRP 15 3.818 -8.629 -2.399 105 HE3 TRP 15 HE3 TRP 15 3.790 -3.591 -0.684 106 HZ2 TRP 15 HZ2 TRP 15 5.601 -6.960 -3.865 107 HZ3 TRP 15 HZ3 TRP 15 5.562 -2.936 -2.296 108 HH2 TRP 15 HH2 TRP 15 6.495 -4.616 -3.899 109 H GLU 16 H GLU 16 2.739 -3.398 2.421 110 HA GLU 16 HA GLU 16 0.305 -2.813 4.033 111 HB2 GLU 16 HB2 GLU 16 3.255 -2.609 4.726 112 HB3 GLU 16 HB3 GLU 16 2.110 -1.461 5.420 113 HG2 GLU 16 HG2 GLU 16 1.468 -4.412 5.640 114 HG3 GLU 16 HG3 GLU 16 2.718 -3.711 6.675 115 H LYS 17 H LYS 17 -0.602 -0.935 3.327 116 HA LYS 17 HA LYS 17 0.822 0.764 1.407 117 HB2 LYS 17 HB2 LYS 17 -1.555 0.141 1.158 118 HB3 LYS 17 HB3 LYS 17 -1.937 0.948 2.684 119 HG2 LYS 17 HG2 LYS 17 -1.226 3.137 1.676 120 HG3 LYS 17 HG3 LYS 17 -0.775 2.288 0.197 121 HD2 LYS 17 HD2 LYS 17 -2.855 3.017 -0.415 122 HD3 LYS 17 HD3 LYS 17 -3.295 1.440 0.248 123 HE2 LYS 17 HE2 LYS 17 -3.630 2.742 2.505 124 HE3 LYS 17 HE3 LYS 17 -3.602 4.198 1.487 125 HZ1 LYS 17 HZ1 LYS 17 -5.474 3.211 0.228 126 HZ2 LYS 17 HZ2 LYS 17 -5.854 3.413 1.817 127 HZ3 LYS 17 HZ3 LYS 17 -5.494 1.928 1.235 128 H ARG 18 H ARG 18 2.218 2.327 2.131 129 HA ARG 18 HA ARG 18 1.501 3.796 4.649 130 HB2 ARG 18 HB2 ARG 18 4.255 3.058 3.616 131 HB3 ARG 18 HB3 ARG 18 3.942 3.947 5.080 132 HG2 ARG 18 HG2 ARG 18 2.876 1.103 4.739 133 HG3 ARG 18 HG3 ARG 18 4.510 1.434 5.269 134 HD2 ARG 18 HD2 ARG 18 3.780 2.639 7.189 135 HD3 ARG 18 HD3 ARG 18 2.096 2.681 6.626 136 HE ARG 18 HE ARG 18 2.264 0.105 6.819 137 HH11 ARG 18 HH11 ARG 18 3.653 2.393 9.158 138 HH12 ARG 18 HH12 ARG 18 3.608 1.265 10.474 139 HH21 ARG 18 HH21 ARG 18 2.059 -1.320 8.624 140 HH22 ARG 18 HH22 ARG 18 2.798 -0.942 10.100 141 H MET 19 H MET 19 3.036 5.876 4.601 142 HA MET 19 HA MET 19 2.981 7.135 1.945 143 HB2 MET 19 HB2 MET 19 0.964 7.939 3.041 144 HB3 MET 19 HB3 MET 19 1.880 8.342 4.515 145 HG2 MET 19 HG2 MET 19 3.210 9.965 3.274 146 HG3 MET 19 HG3 MET 19 2.391 9.548 1.771 147 HE1 MET 19 HE1 MET 19 0.344 10.522 0.912 148 HE2 MET 19 HE2 MET 19 -0.722 9.777 2.139 149 HE3 MET 19 HE3 MET 19 -0.828 11.511 1.791 150 H GLU 20 H GLU 20 4.835 8.154 1.543 151 HA GLU 20 HA GLU 20 7.056 7.798 3.294 152 HB2 GLU 20 HB2 GLU 20 6.630 8.966 0.635 153 HB3 GLU 20 HB3 GLU 20 7.933 9.749 1.533 154 HG2 GLU 20 HG2 GLU 20 7.717 6.800 1.055 155 HG3 GLU 20 HG3 GLU 20 8.717 7.912 0.098 156 H ARG 21 H ARG 21 7.774 9.030 4.985 157 HA ARG 21 HA ARG 21 6.428 11.544 5.575 158 HB2 ARG 21 HB2 ARG 21 7.817 11.606 7.555 159 HB3 ARG 21 HB3 ARG 21 7.259 9.953 7.310 160 HG2 ARG 21 HG2 ARG 21 9.574 9.761 5.965 161 HG3 ARG 21 HG3 ARG 21 10.027 11.122 6.988 162 HD2 ARG 21 HD2 ARG 21 9.576 9.784 8.992 163 HD3 ARG 21 HD3 ARG 21 8.939 8.456 8.005 164 HE ARG 21 HE ARG 21 11.250 8.541 6.862 165 HH11 ARG 21 HH11 ARG 21 10.759 8.754 10.412 166 HH12 ARG 21 HH12 ARG 21 12.461 8.646 10.737 167 HH21 ARG 21 HH21 ARG 21 13.413 8.027 7.397 168 HH22 ARG 21 HH22 ARG 21 13.971 8.141 9.015 169 H SER 22 H SER 22 8.927 10.819 3.362 170 HA SER 22 HA SER 22 10.594 13.122 3.664 171 HB2 SER 22 HB2 SER 22 10.058 11.304 1.271 172 HB3 SER 22 HB3 SER 22 11.422 12.431 1.439 173 HG SER 22 HG SER 22 12.148 11.271 3.183 174 H SER 23 H SER 23 7.794 12.388 1.496 175 HA SER 23 HA SER 23 7.402 15.296 1.170 176 HB2 SER 23 HB2 SER 23 7.589 13.359 -1.158 177 HB3 SER 23 HB3 SER 23 6.940 14.979 -1.258 178 HG SER 23 HG SER 23 8.952 15.786 -0.560 179 H GLY 24 H GLY 24 6.018 12.071 1.594 180 HA2 GLY 24 HA2 GLY 24 3.871 11.830 2.441 181 HA3 GLY 24 HA3 GLY 24 3.365 13.365 1.753 182 H ARG 25 H ARG 25 4.921 10.332 0.334 183 HA ARG 25 HA ARG 25 2.757 10.450 -1.733 184 HB2 ARG 25 HB2 ARG 25 5.250 10.886 -2.366 185 HB3 ARG 25 HB3 ARG 25 5.474 9.171 -2.079 186 HG2 ARG 25 HG2 ARG 25 5.066 9.304 -4.354 187 HG3 ARG 25 HG3 ARG 25 3.466 8.834 -3.731 188 HD2 ARG 25 HD2 ARG 25 2.552 10.956 -4.180 189 HD3 ARG 25 HD3 ARG 25 4.113 11.770 -4.015 190 HE ARG 25 HE ARG 25 4.007 9.936 -6.260 191 HH11 ARG 25 HH11 ARG 25 3.537 13.344 -5.250 192 HH12 ARG 25 HH12 ARG 25 3.895 13.951 -6.829 193 HH21 ARG 25 HH21 ARG 25 4.309 10.840 -8.368 194 HH22 ARG 25 HH22 ARG 25 4.394 12.563 -8.541 195 H VAL 26 H VAL 26 1.482 8.705 -1.831 196 HA VAL 26 HA VAL 26 1.786 6.664 0.233 197 HB VAL 26 HB VAL 26 -0.338 6.819 -1.924 198 HG11 VAL 26 HG11 VAL 26 -1.677 5.457 -0.350 199 HG12 VAL 26 HG12 VAL 26 -0.207 4.603 -0.814 200 HG13 VAL 26 HG13 VAL 26 -0.298 5.389 0.774 201 HG21 VAL 26 HG21 VAL 26 -0.414 8.884 -0.663 202 HG22 VAL 26 HG22 VAL 26 -1.758 7.849 -0.167 203 HG23 VAL 26 HG23 VAL 26 -0.330 7.971 0.873 204 H TYR 27 H TYR 27 2.340 4.534 -0.058 205 HA TYR 27 HA TYR 27 2.842 3.441 -2.727 206 HB2 TYR 27 HB2 TYR 27 5.163 3.046 -2.378 207 HB3 TYR 27 HB3 TYR 27 4.906 4.745 -2.088 208 HD1 TYR 27 HD2 TYR 27 4.527 5.436 0.507 209 HD2 TYR 27 HD1 TYR 27 6.399 1.804 -0.842 210 HE1 TYR 27 HE2 TYR 27 5.743 5.286 2.646 211 HE2 TYR 27 HE1 TYR 27 7.536 1.555 1.320 212 HH TYR 27 HH TYR 27 8.191 2.779 3.258 213 H TYR 28 H TYR 28 4.010 1.117 -2.187 214 HA TYR 28 HA TYR 28 2.520 -0.100 0.079 215 HB2 TYR 28 HB2 TYR 28 3.164 -1.371 -2.603 216 HB3 TYR 28 HB3 TYR 28 2.249 -2.073 -1.289 217 HD1 TYR 28 HD1 TYR 28 0.285 -0.172 -0.467 218 HD2 TYR 28 HD2 TYR 28 1.828 -0.818 -4.418 219 HE1 TYR 28 HE1 TYR 28 -1.780 0.750 -1.383 220 HE2 TYR 28 HE2 TYR 28 -0.274 0.055 -5.386 221 HH TYR 28 HH TYR 28 -3.147 0.694 -3.696 222 H PHE 29 H PHE 29 3.722 -1.558 1.302 223 HA PHE 29 HA PHE 29 6.599 -1.951 0.610 224 HB2 PHE 29 HB2 PHE 29 6.355 -0.130 2.243 225 HB3 PHE 29 HB3 PHE 29 5.384 -1.170 3.282 226 HD1 PHE 29 HD2 PHE 29 6.419 -3.143 4.414 227 HD2 PHE 29 HD1 PHE 29 8.766 -0.391 2.069 228 HE1 PHE 29 HE2 PHE 29 8.502 -3.989 5.473 229 HE2 PHE 29 HE1 PHE 29 10.834 -1.260 3.130 230 HZ PHE 29 HZ PHE 29 10.665 -2.997 4.898 231 H ASN 30 H ASN 30 7.144 -4.008 0.729 232 HA ASN 30 HA ASN 30 5.194 -6.003 1.830 233 HB2 ASN 30 HB2 ASN 30 6.150 -6.229 -0.471 234 HB3 ASN 30 HB3 ASN 30 7.697 -6.618 0.247 235 HD21 ASN 30 HD21 ASN 30 6.920 -8.583 -1.319 236 HD22 ASN 30 HD22 ASN 30 6.142 -9.877 -0.444 237 H HIS 31 H HIS 31 5.567 -6.164 4.095 238 HA HIS 31 HA HIS 31 8.257 -5.960 5.151 239 HB2 HIS 31 HB2 HIS 31 7.310 -6.367 7.276 240 HB3 HIS 31 HB3 HIS 31 6.168 -5.342 6.411 241 HD1 HIS 31 HD1 HIS 31 6.604 -8.999 7.588 242 HD2 HIS 31 HD2 HIS 31 3.698 -6.338 6.064 243 HE1 HIS 31 HE1 HIS 31 4.377 -10.218 7.698 244 H ILE 32 H ILE 32 6.680 -8.546 3.605 245 HA ILE 32 HA ILE 32 7.886 -10.723 5.056 246 HB ILE 32 HB ILE 32 6.795 -10.463 2.255 247 HG12 ILE 32 HG12 ILE 32 5.833 -11.753 4.877 248 HG13 ILE 32 HG13 ILE 32 5.182 -10.305 4.130 249 HG21 ILE 32 HG21 ILE 32 8.445 -12.218 2.077 250 HG22 ILE 32 HG22 ILE 32 7.815 -13.022 3.544 251 HG23 ILE 32 HG23 ILE 32 6.854 -12.932 2.050 252 HD11 ILE 32 HD11 ILE 32 3.624 -12.057 3.740 253 HD12 ILE 32 HD12 ILE 32 4.427 -11.763 2.180 254 HD13 ILE 32 HD13 ILE 32 4.875 -13.169 3.173 255 H THR 33 H THR 33 8.936 -8.713 2.286 256 HA THR 33 HA THR 33 11.643 -9.964 2.671 257 HB THR 33 HB THR 33 10.471 -10.874 0.713 258 HG1 THR 33 HG1 THR 33 12.798 -10.595 0.920 259 HG21 THR 33 HG21 THR 33 10.263 -9.557 -1.328 260 HG22 THR 33 HG22 THR 33 10.821 -8.110 -0.462 261 HG23 THR 33 HG23 THR 33 9.257 -8.858 -0.051 262 H ASN 34 H ASN 34 9.989 -7.190 3.131 263 HA ASN 34 HA ASN 34 10.577 -5.116 3.662 264 HB2 ASN 34 HB2 ASN 34 12.659 -6.336 4.622 265 HB3 ASN 34 HB3 ASN 34 13.506 -5.692 3.217 266 HD21 ASN 34 HD21 ASN 34 13.189 -3.174 2.960 267 HD22 ASN 34 HD22 ASN 34 13.354 -2.264 4.461 268 H ALA 35 H ALA 35 9.834 -5.898 1.061 269 HA ALA 35 HA ALA 35 11.389 -4.207 -0.838 270 HB1 ALA 35 HB1 ALA 35 9.822 -5.241 -2.544 271 HB2 ALA 35 HB2 ALA 35 10.891 -6.383 -1.732 272 HB3 ALA 35 HB3 ALA 35 9.175 -6.271 -1.261 273 H SER 36 H SER 36 9.724 -3.007 -2.437 274 HA SER 36 HA SER 36 7.337 -2.046 -1.301 275 HB2 SER 36 HB2 SER 36 7.939 0.164 -0.783 276 HB3 SER 36 HB3 SER 36 9.211 -0.857 -0.127 277 HG SER 36 HG SER 36 10.594 -0.218 -1.840 278 H GLN 37 H GLN 37 6.089 -0.895 -2.851 279 HA GLN 37 HA GLN 37 7.281 -0.159 -5.309 280 HB2 GLN 37 HB2 GLN 37 5.491 -2.634 -5.116 281 HB3 GLN 37 HB3 GLN 37 5.442 -1.652 -6.574 282 HG2 GLN 37 HG2 GLN 37 7.966 -1.986 -6.770 283 HG3 GLN 37 HG3 GLN 37 7.796 -3.227 -5.516 284 HE21 GLN 37 HE21 GLN 37 6.684 -2.310 -8.821 285 HE22 GLN 37 HE22 GLN 37 6.408 -3.966 -9.314 286 H TRP 38 H TRP 38 5.388 0.657 -6.788 287 HA TRP 38 HA TRP 38 3.411 2.091 -5.113 288 HB2 TRP 38 HB2 TRP 38 4.171 2.767 -7.951 289 HB3 TRP 38 HB3 TRP 38 3.450 3.794 -6.722 290 HD1 TRP 38 HD1 TRP 38 6.806 2.181 -7.678 291 HE1 TRP 38 HE1 TRP 38 8.726 3.351 -6.485 292 HE3 TRP 38 HE3 TRP 38 4.090 5.535 -4.906 293 HZ2 TRP 38 HZ2 TRP 38 9.067 5.471 -4.538 294 HZ3 TRP 38 HZ3 TRP 38 5.245 7.100 -3.413 295 HH2 TRP 38 HH2 TRP 38 7.715 7.085 -3.188 296 H GLU 39 H GLU 39 3.661 -0.276 -7.721 297 HA GLU 39 HA GLU 39 0.908 0.059 -8.604 298 HB2 GLU 39 HB2 GLU 39 1.408 -1.795 -10.100 299 HB3 GLU 39 HB3 GLU 39 2.695 -0.593 -10.165 300 HG2 GLU 39 HG2 GLU 39 4.010 -2.042 -8.523 301 HG3 GLU 39 HG3 GLU 39 2.764 -3.282 -8.735 302 H ARG 40 H ARG 40 -0.783 -1.512 -8.278 303 HA ARG 40 HA ARG 40 -0.923 -2.476 -5.643 304 HB2 ARG 40 HB2 ARG 40 -2.623 -2.875 -8.087 305 HB3 ARG 40 HB3 ARG 40 -2.901 -3.875 -6.660 306 HG2 ARG 40 HG2 ARG 40 -3.242 -1.959 -5.232 307 HG3 ARG 40 HG3 ARG 40 -2.745 -0.836 -6.499 308 HD2 ARG 40 HD2 ARG 40 -5.211 -0.885 -6.259 309 HD3 ARG 40 HD3 ARG 40 -4.708 -1.436 -7.852 310 HE ARG 40 HE ARG 40 -5.549 -3.531 -7.398 311 HH11 ARG 40 HH11 ARG 40 -5.490 -1.743 -4.278 312 HH12 ARG 40 HH12 ARG 40 -6.401 -3.017 -3.495 313 HH21 ARG 40 HH21 ARG 40 -6.646 -5.079 -6.334 314 HH22 ARG 40 HH22 ARG 40 -7.057 -4.971 -4.662 315 HA PRO 41 HA PRO 41 1.449 -6.252 -6.422 316 HB2 PRO 41 HB2 PRO 41 1.797 -7.010 -3.828 317 HB3 PRO 41 HB3 PRO 41 2.697 -5.649 -4.558 318 HG2 PRO 41 HG2 PRO 41 0.231 -5.563 -2.817 319 HG3 PRO 41 HG3 PRO 41 1.688 -4.537 -2.696 320 HD2 PRO 41 HD2 PRO 41 -0.623 -3.758 -3.958 321 HD3 PRO 41 HD3 PRO 41 1.006 -3.187 -4.417 322 H SER 42 H SER 42 1.118 -8.604 -5.526 323 HA SER 42 HA SER 42 -1.553 -9.229 -4.596 324 HB2 SER 42 HB2 SER 42 -1.381 -8.957 -7.317 325 HB3 SER 42 HB3 SER 42 -0.928 -10.654 -7.140 326 HG SER 42 HG SER 42 -3.278 -9.290 -6.367 327 H GLY 43 H GLY 43 -1.190 -10.730 -3.131 328 HA2 GLY 43 HA2 GLY 43 1.284 -12.353 -3.053 329 HA3 GLY 43 HA3 GLY 43 0.082 -12.112 -1.745 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -15.393 7.587 1.546 2 HA2 GLY 1 HA2 GLY 1 -14.259 9.152 3.065 3 HA3 GLY 1 HA3 GLY 1 -15.785 10.058 3.143 4 H LEU 2 H LEU 2 -17.169 9.541 4.831 5 HA LEU 2 HA LEU 2 -16.523 7.355 6.622 6 HB2 LEU 2 HB2 LEU 2 -18.741 9.417 6.379 7 HB3 LEU 2 HB3 LEU 2 -19.003 8.026 7.402 8 HG LEU 2 HG LEU 2 -18.283 9.919 8.697 9 HD11 LEU 2 HD11 LEU 2 -17.669 7.582 9.383 10 HD12 LEU 2 HD12 LEU 2 -16.627 8.852 10.052 11 HD13 LEU 2 HD13 LEU 2 -16.053 7.846 8.707 12 HD21 LEU 2 HD21 LEU 2 -16.853 11.028 6.986 13 HD22 LEU 2 HD22 LEU 2 -15.607 9.790 7.247 14 HD23 LEU 2 HD23 LEU 2 -16.073 10.887 8.569 15 H GLU 3 H GLU 3 -18.332 7.624 3.717 16 HA GLU 3 HA GLU 3 -19.371 4.887 3.916 17 HB2 GLU 3 HB2 GLU 3 -20.896 7.205 2.680 18 HB3 GLU 3 HB3 GLU 3 -21.442 5.559 2.922 19 HG2 GLU 3 HG2 GLU 3 -22.624 6.688 4.545 20 HG3 GLU 3 HG3 GLU 3 -21.264 6.058 5.477 21 H HIS 4 H HIS 4 -20.275 4.722 1.289 22 HA HIS 4 HA HIS 4 -19.573 4.319 -0.776 23 HB2 HIS 4 HB2 HIS 4 -20.008 6.832 -0.766 24 HB3 HIS 4 HB3 HIS 4 -18.263 7.061 -0.695 25 HD1 HIS 4 HD1 HIS 4 -18.084 8.139 -3.166 26 HD2 HIS 4 HD2 HIS 4 -19.935 4.371 -2.935 27 HE1 HIS 4 HE1 HIS 4 -18.675 7.483 -5.540 28 H MET 5 H MET 5 -17.953 3.233 1.206 29 HA MET 5 HA MET 5 -15.135 3.551 0.422 30 HB2 MET 5 HB2 MET 5 -16.356 1.527 2.337 31 HB3 MET 5 HB3 MET 5 -14.679 2.100 2.274 32 HG2 MET 5 HG2 MET 5 -15.498 4.375 3.001 33 HG3 MET 5 HG3 MET 5 -17.126 3.706 3.123 34 HE1 MET 5 HE1 MET 5 -14.041 4.604 5.015 35 HE2 MET 5 HE2 MET 5 -13.712 3.244 6.110 36 HE3 MET 5 HE3 MET 5 -13.439 3.061 4.362 37 H ALA 6 H ALA 6 -13.873 1.521 -0.103 38 HA ALA 6 HA ALA 6 -15.374 -0.684 -1.324 39 HB1 ALA 6 HB1 ALA 6 -14.169 -0.497 -3.456 40 HB2 ALA 6 HB2 ALA 6 -15.109 0.979 -3.174 41 HB3 ALA 6 HB3 ALA 6 -13.359 0.985 -2.903 42 H ASP 7 H ASP 7 -13.978 -2.538 -1.683 43 HA ASP 7 HA ASP 7 -11.658 -2.628 0.166 44 HB2 ASP 7 HB2 ASP 7 -11.886 -5.036 -0.006 45 HB3 ASP 7 HB3 ASP 7 -13.414 -4.324 0.483 46 H GLU 8 H GLU 8 -12.312 -2.227 -3.115 47 HA GLU 8 HA GLU 8 -10.461 -3.825 -4.453 48 HB2 GLU 8 HB2 GLU 8 -10.830 -2.283 -6.263 49 HB3 GLU 8 HB3 GLU 8 -12.325 -2.566 -5.418 50 HG2 GLU 8 HG2 GLU 8 -12.447 -0.283 -5.741 51 HG3 GLU 8 HG3 GLU 8 -11.812 -0.368 -4.105 52 H GLU 9 H GLU 9 -9.913 -1.234 -2.376 53 HA GLU 9 HA GLU 9 -7.275 -0.451 -3.301 54 HB2 GLU 9 HB2 GLU 9 -9.379 0.878 -2.223 55 HB3 GLU 9 HB3 GLU 9 -8.566 0.479 -0.732 56 HG2 GLU 9 HG2 GLU 9 -6.542 1.557 -1.555 57 HG3 GLU 9 HG3 GLU 9 -7.313 1.959 -3.087 58 H LYS 10 H LYS 10 -8.405 -3.027 -1.455 59 HA LYS 10 HA LYS 10 -6.510 -2.949 0.742 60 HB2 LYS 10 HB2 LYS 10 -8.463 -5.103 -0.136 61 HB3 LYS 10 HB3 LYS 10 -7.497 -5.188 1.314 62 HG2 LYS 10 HG2 LYS 10 -9.390 -2.846 0.890 63 HG3 LYS 10 HG3 LYS 10 -9.970 -4.403 1.427 64 HD2 LYS 10 HD2 LYS 10 -9.631 -3.092 3.371 65 HD3 LYS 10 HD3 LYS 10 -8.360 -4.320 3.359 66 HE2 LYS 10 HE2 LYS 10 -6.729 -2.686 2.565 67 HE3 LYS 10 HE3 LYS 10 -8.016 -1.472 2.334 68 HZ1 LYS 10 HZ1 LYS 10 -7.044 -0.949 4.337 69 HZ2 LYS 10 HZ2 LYS 10 -6.903 -2.512 4.856 70 HZ3 LYS 10 HZ3 LYS 10 -8.368 -1.768 4.813 71 H LEU 11 H LEU 11 -4.462 -3.076 0.135 72 HA LEU 11 HA LEU 11 -3.328 -4.702 -1.752 73 HB2 LEU 11 HB2 LEU 11 -2.368 -3.445 0.840 74 HB3 LEU 11 HB3 LEU 11 -1.274 -4.511 0.013 75 HG LEU 11 HG LEU 11 -0.893 -2.162 -0.531 76 HD11 LEU 11 HD11 LEU 11 -1.811 -3.823 -2.918 77 HD12 LEU 11 HD12 LEU 11 -0.194 -3.760 -2.161 78 HD13 LEU 11 HD13 LEU 11 -0.841 -2.372 -3.029 79 HD21 LEU 11 HD21 LEU 11 -3.581 -2.179 -1.945 80 HD22 LEU 11 HD22 LEU 11 -2.446 -0.867 -1.883 81 HD23 LEU 11 HD23 LEU 11 -3.256 -1.364 -0.395 82 HA PRO 12 HA PRO 12 -3.316 -8.867 -0.442 83 HB2 PRO 12 HB2 PRO 12 -0.668 -9.615 -1.019 84 HB3 PRO 12 HB3 PRO 12 -2.056 -9.608 -2.169 85 HG2 PRO 12 HG2 PRO 12 0.173 -7.660 -1.815 86 HG3 PRO 12 HG3 PRO 12 -0.716 -8.081 -3.305 87 HD2 PRO 12 HD2 PRO 12 -1.108 -5.799 -1.818 88 HD3 PRO 12 HD3 PRO 12 -2.372 -6.523 -2.834 89 HA PRO 13 HA PRO 13 -1.674 -9.494 3.554 90 HB2 PRO 13 HB2 PRO 13 -0.833 -12.140 3.635 91 HB3 PRO 13 HB3 PRO 13 -2.540 -11.611 3.687 92 HG2 PRO 13 HG2 PRO 13 -0.937 -12.492 1.262 93 HG3 PRO 13 HG3 PRO 13 -2.572 -13.017 1.766 94 HD2 PRO 13 HD2 PRO 13 -2.256 -11.082 -0.087 95 HD3 PRO 13 HD3 PRO 13 -3.525 -10.900 1.138 96 H GLY 14 H GLY 14 0.076 -8.680 4.341 97 HA2 GLY 14 HA2 GLY 14 2.377 -8.716 4.954 98 HA3 GLY 14 HA3 GLY 14 2.789 -9.413 3.381 99 H TRP 15 H TRP 15 0.951 -7.509 1.904 100 HA TRP 15 HA TRP 15 2.909 -5.357 1.796 101 HB2 TRP 15 HB2 TRP 15 0.602 -6.082 -0.002 102 HB3 TRP 15 HB3 TRP 15 1.591 -4.660 -0.204 103 HD1 TRP 15 HD1 TRP 15 1.886 -8.480 -0.517 104 HE1 TRP 15 HE1 TRP 15 3.935 -9.041 -1.909 105 HE3 TRP 15 HE3 TRP 15 3.918 -3.843 -0.688 106 HZ2 TRP 15 HZ2 TRP 15 6.177 -7.531 -3.164 107 HZ3 TRP 15 HZ3 TRP 15 5.982 -3.392 -2.025 108 HH2 TRP 15 HH2 TRP 15 7.115 -5.248 -3.243 109 H GLU 16 H GLU 16 2.462 -3.287 2.209 110 HA GLU 16 HA GLU 16 -0.216 -2.492 3.244 111 HB2 GLU 16 HB2 GLU 16 2.545 -2.429 4.490 112 HB3 GLU 16 HB3 GLU 16 1.428 -1.090 4.810 113 HG2 GLU 16 HG2 GLU 16 0.525 -3.962 5.229 114 HG3 GLU 16 HG3 GLU 16 1.436 -3.095 6.471 115 H LYS 17 H LYS 17 -0.913 -0.671 2.287 116 HA LYS 17 HA LYS 17 0.907 0.803 0.531 117 HB2 LYS 17 HB2 LYS 17 -1.448 0.387 -0.044 118 HB3 LYS 17 HB3 LYS 17 -1.968 1.363 1.353 119 HG2 LYS 17 HG2 LYS 17 -0.878 3.368 0.364 120 HG3 LYS 17 HG3 LYS 17 -0.168 2.366 -0.911 121 HD2 LYS 17 HD2 LYS 17 -1.969 3.360 -1.996 122 HD3 LYS 17 HD3 LYS 17 -2.564 1.756 -1.579 123 HE2 LYS 17 HE2 LYS 17 -3.603 2.813 0.501 124 HE3 LYS 17 HE3 LYS 17 -3.203 4.390 -0.222 125 HZ1 LYS 17 HZ1 LYS 17 -4.792 2.300 -1.597 126 HZ2 LYS 17 HZ2 LYS 17 -4.577 3.824 -2.111 127 HZ3 LYS 17 HZ3 LYS 17 -5.483 3.541 -0.783 128 H ARG 18 H ARG 18 2.124 2.423 1.196 129 HA ARG 18 HA ARG 18 1.504 3.859 3.742 130 HB2 ARG 18 HB2 ARG 18 4.171 2.950 2.617 131 HB3 ARG 18 HB3 ARG 18 4.032 3.960 4.040 132 HG2 ARG 18 HG2 ARG 18 2.676 1.260 4.092 133 HG3 ARG 18 HG3 ARG 18 4.432 1.319 4.157 134 HD2 ARG 18 HD2 ARG 18 4.434 2.678 6.138 135 HD3 ARG 18 HD3 ARG 18 2.695 2.936 6.054 136 HE ARG 18 HE ARG 18 4.128 0.502 6.920 137 HH11 ARG 18 HH11 ARG 18 0.962 2.064 6.353 138 HH12 ARG 18 HH12 ARG 18 0.086 0.753 7.107 139 HH21 ARG 18 HH21 ARG 18 2.898 -1.174 7.941 140 HH22 ARG 18 HH22 ARG 18 1.149 -1.113 7.805 141 H MET 19 H MET 19 3.085 5.906 3.696 142 HA MET 19 HA MET 19 3.216 7.053 1.026 143 HB2 MET 19 HB2 MET 19 1.053 7.885 2.036 144 HB3 MET 19 HB3 MET 19 2.020 8.611 3.351 145 HG2 MET 19 HG2 MET 19 3.403 9.743 1.557 146 HG3 MET 19 HG3 MET 19 2.259 9.159 0.355 147 HE1 MET 19 HE1 MET 19 -0.862 11.362 0.983 148 HE2 MET 19 HE2 MET 19 -0.053 10.265 -0.148 149 HE3 MET 19 HE3 MET 19 -0.572 9.674 1.453 150 H GLU 20 H GLU 20 5.127 8.052 0.802 151 HA GLU 20 HA GLU 20 7.165 7.687 2.788 152 HB2 GLU 20 HB2 GLU 20 7.158 9.485 0.313 153 HB3 GLU 20 HB3 GLU 20 8.579 8.992 1.262 154 HG2 GLU 20 HG2 GLU 20 7.850 6.575 0.772 155 HG3 GLU 20 HG3 GLU 20 6.784 7.239 -0.460 156 H ARG 21 H ARG 21 7.673 9.014 4.508 157 HA ARG 21 HA ARG 21 6.144 11.521 4.860 158 HB2 ARG 21 HB2 ARG 21 8.237 10.092 6.521 159 HB3 ARG 21 HB3 ARG 21 7.690 11.726 6.922 160 HG2 ARG 21 HG2 ARG 21 5.416 11.064 7.189 161 HG3 ARG 21 HG3 ARG 21 5.699 9.455 6.509 162 HD2 ARG 21 HD2 ARG 21 6.980 10.467 9.082 163 HD3 ARG 21 HD3 ARG 21 5.485 9.515 8.990 164 HE ARG 21 HE ARG 21 7.619 8.250 7.532 165 HH11 ARG 21 HH11 ARG 21 6.177 8.581 10.769 166 HH12 ARG 21 HH12 ARG 21 6.781 7.073 11.322 167 HH21 ARG 21 HH21 ARG 21 8.393 6.191 8.305 168 HH22 ARG 21 HH22 ARG 21 7.971 5.725 9.940 169 H SER 22 H SER 22 9.315 10.572 3.680 170 HA SER 22 HA SER 22 10.588 13.069 3.917 171 HB2 SER 22 HB2 SER 22 11.076 10.810 1.921 172 HB3 SER 22 HB3 SER 22 12.239 12.035 2.449 173 HG SER 22 HG SER 22 12.729 10.576 3.824 174 H SER 23 H SER 23 8.448 11.805 1.357 175 HA SER 23 HA SER 23 8.728 14.425 -0.054 176 HB2 SER 23 HB2 SER 23 8.633 11.673 -1.347 177 HB3 SER 23 HB3 SER 23 8.760 13.229 -2.189 178 HG SER 23 HG SER 23 10.782 13.538 -1.014 179 H GLY 24 H GLY 24 6.534 11.907 1.076 180 HA2 GLY 24 HA2 GLY 24 4.252 11.962 1.136 181 HA3 GLY 24 HA3 GLY 24 4.274 13.526 0.308 182 H ARG 25 H ARG 25 4.995 10.030 -0.257 183 HA ARG 25 HA ARG 25 3.685 10.247 -2.880 184 HB2 ARG 25 HB2 ARG 25 6.349 10.457 -2.908 185 HB3 ARG 25 HB3 ARG 25 6.302 8.731 -2.551 186 HG2 ARG 25 HG2 ARG 25 6.404 8.854 -4.918 187 HG3 ARG 25 HG3 ARG 25 4.700 8.458 -4.560 188 HD2 ARG 25 HD2 ARG 25 4.019 10.741 -4.949 189 HD3 ARG 25 HD3 ARG 25 5.715 11.273 -5.007 190 HE ARG 25 HE ARG 25 5.241 9.301 -7.006 191 HH11 ARG 25 HH11 ARG 25 4.482 12.726 -6.261 192 HH12 ARG 25 HH12 ARG 25 4.531 13.196 -7.939 193 HH21 ARG 25 HH21 ARG 25 5.291 10.050 -9.245 194 HH22 ARG 25 HH22 ARG 25 4.992 11.728 -9.568 195 H VAL 26 H VAL 26 2.363 8.432 -3.176 196 HA VAL 26 HA VAL 26 2.227 6.624 -0.875 197 HB VAL 26 HB VAL 26 0.568 6.695 -3.430 198 HG11 VAL 26 HG11 VAL 26 -1.124 5.510 -2.065 199 HG12 VAL 26 HG12 VAL 26 0.347 4.549 -2.242 200 HG13 VAL 26 HG13 VAL 26 0.030 5.404 -0.713 201 HG21 VAL 26 HG21 VAL 26 0.016 7.922 -0.684 202 HG22 VAL 26 HG22 VAL 26 0.393 8.832 -2.166 203 HG23 VAL 26 HG23 VAL 26 -1.108 7.906 -2.061 204 H TYR 27 H TYR 27 2.701 4.415 -0.941 205 HA TYR 27 HA TYR 27 3.656 3.118 -3.350 206 HB2 TYR 27 HB2 TYR 27 5.900 2.778 -2.707 207 HB3 TYR 27 HB3 TYR 27 5.640 4.489 -2.496 208 HD1 TYR 27 HD2 TYR 27 5.133 5.360 -0.071 209 HD2 TYR 27 HD1 TYR 27 6.830 1.521 -0.990 210 HE1 TYR 27 HE2 TYR 27 5.955 5.170 2.265 211 HE2 TYR 27 HE1 TYR 27 7.615 1.291 1.339 212 HH TYR 27 HH TYR 27 7.482 3.914 3.613 213 H TYR 28 H TYR 28 4.549 0.819 -2.533 214 HA TYR 28 HA TYR 28 2.746 -0.118 -0.340 215 HB2 TYR 28 HB2 TYR 28 3.794 -1.736 -2.682 216 HB3 TYR 28 HB3 TYR 28 2.583 -2.214 -1.496 217 HD1 TYR 28 HD1 TYR 28 0.570 -0.358 -1.297 218 HD2 TYR 28 HD2 TYR 28 2.969 -1.165 -4.778 219 HE1 TYR 28 HE1 TYR 28 -1.213 0.549 -2.706 220 HE2 TYR 28 HE2 TYR 28 1.163 -0.304 -6.224 221 HH TYR 28 HH TYR 28 -0.727 1.058 -6.218 222 H PHE 29 H PHE 29 3.621 -1.551 1.147 223 HA PHE 29 HA PHE 29 6.567 -2.094 0.963 224 HB2 PHE 29 HB2 PHE 29 6.085 -0.133 2.406 225 HB3 PHE 29 HB3 PHE 29 5.030 -1.134 3.393 226 HD1 PHE 29 HD2 PHE 29 5.966 -2.991 4.763 227 HD2 PHE 29 HD1 PHE 29 8.536 -0.426 2.437 228 HE1 PHE 29 HE2 PHE 29 7.955 -3.748 6.074 229 HE2 PHE 29 HE1 PHE 29 10.483 -1.179 3.756 230 HZ PHE 29 HZ PHE 29 10.170 -2.814 5.594 231 H ASN 30 H ASN 30 7.014 -4.165 1.253 232 HA ASN 30 HA ASN 30 4.876 -6.014 2.227 233 HB2 ASN 30 HB2 ASN 30 6.075 -6.394 0.051 234 HB3 ASN 30 HB3 ASN 30 7.502 -6.792 0.974 235 HD21 ASN 30 HD21 ASN 30 6.880 -8.787 -0.580 236 HD22 ASN 30 HD22 ASN 30 6.032 -10.053 0.239 237 H HIS 31 H HIS 31 5.075 -5.735 4.536 238 HA HIS 31 HA HIS 31 7.643 -5.692 5.832 239 HB2 HIS 31 HB2 HIS 31 6.453 -5.899 7.915 240 HB3 HIS 31 HB3 HIS 31 5.604 -4.771 6.867 241 HD1 HIS 31 HD1 HIS 31 5.167 -8.266 8.450 242 HD2 HIS 31 HD2 HIS 31 3.128 -5.436 6.053 243 HE1 HIS 31 HE1 HIS 31 2.726 -8.969 8.384 244 H ILE 32 H ILE 32 6.087 -8.317 4.419 245 HA ILE 32 HA ILE 32 7.057 -10.375 6.223 246 HB ILE 32 HB ILE 32 6.101 -10.308 3.359 247 HG12 ILE 32 HG12 ILE 32 4.958 -11.351 6.012 248 HG13 ILE 32 HG13 ILE 32 4.439 -9.907 5.155 249 HG21 ILE 32 HG21 ILE 32 7.650 -12.154 3.359 250 HG22 ILE 32 HG22 ILE 32 6.928 -12.818 4.852 251 HG23 ILE 32 HG23 ILE 32 6.021 -12.770 3.323 252 HD11 ILE 32 HD11 ILE 32 2.783 -11.544 4.762 253 HD12 ILE 32 HD12 ILE 32 3.714 -11.418 3.250 254 HD13 ILE 32 HD13 ILE 32 3.972 -12.793 4.351 255 H THR 33 H THR 33 8.374 -8.734 3.325 256 HA THR 33 HA THR 33 10.960 -10.170 3.869 257 HB THR 33 HB THR 33 9.741 -11.081 1.926 258 HG1 THR 33 HG1 THR 33 12.187 -9.747 1.375 259 HG21 THR 33 HG21 THR 33 9.415 -9.828 -0.086 260 HG22 THR 33 HG22 THR 33 10.335 -8.455 0.561 261 HG23 THR 33 HG23 THR 33 8.736 -8.856 1.215 262 H ASN 34 H ASN 34 9.501 -7.219 4.037 263 HA ASN 34 HA ASN 34 10.258 -5.167 4.433 264 HB2 ASN 34 HB2 ASN 34 12.426 -6.444 5.277 265 HB3 ASN 34 HB3 ASN 34 13.117 -5.865 3.774 266 HD21 ASN 34 HD21 ASN 34 11.659 -4.977 6.836 267 HD22 ASN 34 HD22 ASN 34 12.249 -3.309 6.902 268 H ALA 35 H ALA 35 9.671 -6.436 1.734 269 HA ALA 35 HA ALA 35 11.246 -4.840 -0.169 270 HB1 ALA 35 HB1 ALA 35 10.573 -6.976 -0.995 271 HB2 ALA 35 HB2 ALA 35 8.866 -6.693 -0.610 272 HB3 ALA 35 HB3 ALA 35 9.673 -5.762 -1.877 273 H SER 36 H SER 36 9.906 -3.525 -1.729 274 HA SER 36 HA SER 36 7.552 -2.299 -0.861 275 HB2 SER 36 HB2 SER 36 8.368 -0.137 -0.319 276 HB3 SER 36 HB3 SER 36 9.371 -1.312 0.518 277 HG SER 36 HG SER 36 10.635 0.310 -0.299 278 H GLN 37 H GLN 37 6.597 -1.233 -2.662 279 HA GLN 37 HA GLN 37 8.234 -0.647 -4.899 280 HB2 GLN 37 HB2 GLN 37 6.492 -3.164 -4.890 281 HB3 GLN 37 HB3 GLN 37 6.514 -2.201 -6.361 282 HG2 GLN 37 HG2 GLN 37 9.123 -2.333 -6.179 283 HG3 GLN 37 HG3 GLN 37 8.808 -3.682 -5.075 284 HE21 GLN 37 HE21 GLN 37 8.725 -5.649 -6.048 285 HE22 GLN 37 HE22 GLN 37 8.348 -5.913 -7.748 286 H TRP 38 H TRP 38 6.781 0.166 -6.755 287 HA TRP 38 HA TRP 38 4.577 1.798 -5.618 288 HB2 TRP 38 HB2 TRP 38 5.905 1.994 -8.337 289 HB3 TRP 38 HB3 TRP 38 4.929 3.212 -7.516 290 HD1 TRP 38 HD1 TRP 38 8.352 1.602 -7.521 291 HE1 TRP 38 HE1 TRP 38 10.040 3.013 -6.138 292 HE3 TRP 38 HE3 TRP 38 5.098 4.955 -5.502 293 HZ2 TRP 38 HZ2 TRP 38 9.941 5.296 -4.378 294 HZ3 TRP 38 HZ3 TRP 38 5.889 6.640 -3.876 295 HH2 TRP 38 HH2 TRP 38 8.306 6.846 -3.342 296 H GLU 39 H GLU 39 5.167 -0.906 -7.703 297 HA GLU 39 HA GLU 39 2.635 -0.695 -9.179 298 HB2 GLU 39 HB2 GLU 39 4.811 -2.841 -9.062 299 HB3 GLU 39 HB3 GLU 39 3.436 -2.854 -10.170 300 HG2 GLU 39 HG2 GLU 39 5.669 -0.774 -10.063 301 HG3 GLU 39 HG3 GLU 39 5.421 -2.041 -11.263 302 H ARG 40 H ARG 40 0.925 -2.168 -8.997 303 HA ARG 40 HA ARG 40 0.206 -2.930 -6.411 304 HB2 ARG 40 HB2 ARG 40 -0.900 -3.506 -9.144 305 HB3 ARG 40 HB3 ARG 40 -1.486 -4.455 -7.771 306 HG2 ARG 40 HG2 ARG 40 -2.116 -2.484 -6.537 307 HG3 ARG 40 HG3 ARG 40 -1.473 -1.424 -7.792 308 HD2 ARG 40 HD2 ARG 40 -3.383 -1.523 -8.945 309 HD3 ARG 40 HD3 ARG 40 -3.317 -3.271 -9.047 310 HE ARG 40 HE ARG 40 -4.838 -1.603 -7.184 311 HH11 ARG 40 HH11 ARG 40 -3.917 -4.950 -8.092 312 HH12 ARG 40 HH12 ARG 40 -5.173 -5.658 -7.140 313 HH21 ARG 40 HH21 ARG 40 -6.587 -2.670 -5.951 314 HH22 ARG 40 HH22 ARG 40 -6.539 -4.371 -5.823 315 HA PRO 41 HA PRO 41 2.689 -6.701 -6.278 316 HB2 PRO 41 HB2 PRO 41 2.217 -7.328 -3.639 317 HB3 PRO 41 HB3 PRO 41 3.382 -6.043 -4.188 318 HG2 PRO 41 HG2 PRO 41 0.568 -5.777 -3.180 319 HG3 PRO 41 HG3 PRO 41 1.969 -4.745 -2.787 320 HD2 PRO 41 HD2 PRO 41 0.038 -4.106 -4.632 321 HD3 PRO 41 HD3 PRO 41 1.728 -3.540 -4.732 322 H SER 42 H SER 42 2.147 -8.939 -4.975 323 HA SER 42 HA SER 42 -0.596 -9.773 -5.153 324 HB2 SER 42 HB2 SER 42 0.248 -11.786 -6.496 325 HB3 SER 42 HB3 SER 42 -0.035 -10.290 -7.392 326 HG SER 42 HG SER 42 2.125 -9.974 -7.588 327 H GLY 43 H GLY 43 -0.900 -11.045 -3.577 328 HA2 GLY 43 HA2 GLY 43 1.080 -12.694 -2.192 329 HA3 GLY 43 HA3 GLY 43 0.310 -11.442 -1.205 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -12.299 11.623 -1.159 2 HA2 GLY 1 HA2 GLY 1 -11.577 10.226 0.716 3 HA3 GLY 1 HA3 GLY 1 -13.266 10.202 1.258 4 H LEU 2 H LEU 2 -14.901 9.304 -0.327 5 HA LEU 2 HA LEU 2 -15.687 7.517 -1.491 6 HB2 LEU 2 HB2 LEU 2 -13.195 7.544 -3.190 7 HB3 LEU 2 HB3 LEU 2 -14.816 7.055 -3.618 8 HG LEU 2 HG LEU 2 -13.827 9.905 -3.198 9 HD11 LEU 2 HD11 LEU 2 -14.109 10.109 -5.625 10 HD12 LEU 2 HD12 LEU 2 -14.641 8.420 -5.736 11 HD13 LEU 2 HD13 LEU 2 -12.978 8.808 -5.247 12 HD21 LEU 2 HD21 LEU 2 -16.049 10.541 -4.179 13 HD22 LEU 2 HD22 LEU 2 -16.159 9.831 -2.562 14 HD23 LEU 2 HD23 LEU 2 -16.574 8.857 -3.993 15 H GLU 3 H GLU 3 -14.244 7.056 0.857 16 HA GLU 3 HA GLU 3 -12.611 4.631 0.453 17 HB2 GLU 3 HB2 GLU 3 -11.798 5.051 2.652 18 HB3 GLU 3 HB3 GLU 3 -11.666 6.524 1.712 19 HG2 GLU 3 HG2 GLU 3 -13.883 5.996 3.761 20 HG3 GLU 3 HG3 GLU 3 -12.375 6.793 4.120 21 H HIS 4 H HIS 4 -15.677 5.675 1.919 22 HA HIS 4 HA HIS 4 -16.061 3.424 3.564 23 HB2 HIS 4 HB2 HIS 4 -17.274 5.705 3.502 24 HB3 HIS 4 HB3 HIS 4 -18.348 4.957 2.327 25 HD1 HIS 4 HD1 HIS 4 -20.419 3.861 3.486 26 HD2 HIS 4 HD2 HIS 4 -16.942 3.929 5.867 27 HE1 HIS 4 HE1 HIS 4 -21.086 2.933 5.767 28 H MET 5 H MET 5 -15.768 3.112 0.352 29 HA MET 5 HA MET 5 -17.372 0.617 0.272 30 HB2 MET 5 HB2 MET 5 -17.311 2.713 -1.949 31 HB3 MET 5 HB3 MET 5 -18.032 1.105 -2.051 32 HG2 MET 5 HG2 MET 5 -19.402 1.839 0.038 33 HG3 MET 5 HG3 MET 5 -18.995 3.476 -0.466 34 HE1 MET 5 HE1 MET 5 -18.978 3.445 -3.543 35 HE2 MET 5 HE2 MET 5 -20.674 3.715 -3.984 36 HE3 MET 5 HE3 MET 5 -19.946 4.627 -2.642 37 H ALA 6 H ALA 6 -14.400 1.801 0.388 38 HA ALA 6 HA ALA 6 -13.165 0.530 -1.940 39 HB1 ALA 6 HB1 ALA 6 -12.380 2.717 -1.070 40 HB2 ALA 6 HB2 ALA 6 -11.954 1.933 0.472 41 HB3 ALA 6 HB3 ALA 6 -11.136 1.471 -1.019 42 H ASP 7 H ASP 7 -13.313 -1.660 -1.804 43 HA ASP 7 HA ASP 7 -12.738 -3.064 0.775 44 HB2 ASP 7 HB2 ASP 7 -14.417 -3.704 -1.627 45 HB3 ASP 7 HB3 ASP 7 -13.461 -5.029 -0.950 46 H GLU 8 H GLU 8 -11.987 -2.990 -2.732 47 HA GLU 8 HA GLU 8 -9.774 -4.721 -2.484 48 HB2 GLU 8 HB2 GLU 8 -9.292 -4.152 -4.729 49 HB3 GLU 8 HB3 GLU 8 -10.996 -4.438 -4.502 50 HG2 GLU 8 HG2 GLU 8 -11.297 -1.898 -4.512 51 HG3 GLU 8 HG3 GLU 8 -9.610 -1.806 -5.048 52 H GLU 9 H GLU 9 -9.979 -1.769 -1.122 53 HA GLU 9 HA GLU 9 -7.309 -0.738 -1.597 54 HB2 GLU 9 HB2 GLU 9 -9.195 0.671 -0.986 55 HB3 GLU 9 HB3 GLU 9 -9.359 -0.156 0.587 56 HG2 GLU 9 HG2 GLU 9 -7.139 0.765 1.250 57 HG3 GLU 9 HG3 GLU 9 -6.942 1.465 -0.357 58 H LYS 10 H LYS 10 -8.638 -3.409 0.237 59 HA LYS 10 HA LYS 10 -6.670 -3.509 2.346 60 HB2 LYS 10 HB2 LYS 10 -8.734 -5.455 1.197 61 HB3 LYS 10 HB3 LYS 10 -7.491 -5.987 2.301 62 HG2 LYS 10 HG2 LYS 10 -8.985 -5.618 3.857 63 HG3 LYS 10 HG3 LYS 10 -8.345 -3.983 3.803 64 HD2 LYS 10 HD2 LYS 10 -10.783 -4.792 2.194 65 HD3 LYS 10 HD3 LYS 10 -10.930 -4.442 3.891 66 HE2 LYS 10 HE2 LYS 10 -9.713 -2.476 1.912 67 HE3 LYS 10 HE3 LYS 10 -11.418 -2.479 2.383 68 HZ1 LYS 10 HZ1 LYS 10 -10.093 -0.924 3.690 69 HZ2 LYS 10 HZ2 LYS 10 -9.175 -2.120 4.289 70 HZ3 LYS 10 HZ3 LYS 10 -10.788 -2.069 4.638 71 H LEU 11 H LEU 11 -4.562 -3.523 1.604 72 HA LEU 11 HA LEU 11 -3.632 -4.747 -0.718 73 HB2 LEU 11 HB2 LEU 11 -2.394 -3.869 1.918 74 HB3 LEU 11 HB3 LEU 11 -1.380 -4.736 0.809 75 HG LEU 11 HG LEU 11 -1.136 -2.308 0.594 76 HD11 LEU 11 HD11 LEU 11 -2.262 -3.721 -1.876 77 HD12 LEU 11 HD12 LEU 11 -0.566 -3.474 -1.386 78 HD13 LEU 11 HD13 LEU 11 -1.581 -2.138 -1.953 79 HD21 LEU 11 HD21 LEU 11 -2.919 -0.903 -0.263 80 HD22 LEU 11 HD22 LEU 11 -3.489 -1.714 1.189 81 HD23 LEU 11 HD23 LEU 11 -3.979 -2.263 -0.441 82 HA PRO 12 HA PRO 12 -3.347 -9.081 0.013 83 HB2 PRO 12 HB2 PRO 12 -0.704 -9.563 -0.924 84 HB3 PRO 12 HB3 PRO 12 -2.209 -9.640 -1.891 85 HG2 PRO 12 HG2 PRO 12 -0.111 -7.568 -1.822 86 HG3 PRO 12 HG3 PRO 12 -1.344 -7.880 -3.066 87 HD2 PRO 12 HD2 PRO 12 -1.357 -5.787 -1.204 88 HD3 PRO 12 HD3 PRO 12 -2.745 -6.349 -2.179 89 HA PRO 13 HA PRO 13 -1.094 -10.011 3.617 90 HB2 PRO 13 HB2 PRO 13 0.023 -12.529 3.248 91 HB3 PRO 13 HB3 PRO 13 -1.708 -12.210 3.583 92 HG2 PRO 13 HG2 PRO 13 -0.405 -12.623 0.894 93 HG3 PRO 13 HG3 PRO 13 -1.915 -13.384 1.533 94 HD2 PRO 13 HD2 PRO 13 -2.018 -11.271 -0.098 95 HD3 PRO 13 HD3 PRO 13 -3.124 -11.349 1.310 96 H GLY 14 H GLY 14 0.734 -9.483 4.380 97 HA2 GLY 14 HA2 GLY 14 3.064 -9.198 4.654 98 HA3 GLY 14 HA3 GLY 14 3.319 -9.684 2.974 99 H TRP 15 H TRP 15 1.205 -7.733 1.980 100 HA TRP 15 HA TRP 15 3.011 -5.452 1.869 101 HB2 TRP 15 HB2 TRP 15 0.446 -6.119 0.428 102 HB3 TRP 15 HB3 TRP 15 1.384 -4.661 0.177 103 HD1 TRP 15 HD1 TRP 15 1.658 -8.471 -0.455 104 HE1 TRP 15 HE1 TRP 15 3.403 -8.840 -2.281 105 HE3 TRP 15 HE3 TRP 15 3.548 -3.756 -0.638 106 HZ2 TRP 15 HZ2 TRP 15 5.382 -7.251 -3.662 107 HZ3 TRP 15 HZ3 TRP 15 5.302 -3.166 -2.274 108 HH2 TRP 15 HH2 TRP 15 6.260 -4.915 -3.775 109 H GLU 16 H GLU 16 2.539 -3.450 2.476 110 HA GLU 16 HA GLU 16 0.096 -2.812 4.062 111 HB2 GLU 16 HB2 GLU 16 3.051 -2.602 4.743 112 HB3 GLU 16 HB3 GLU 16 1.937 -1.394 5.367 113 HG2 GLU 16 HG2 GLU 16 1.111 -4.249 5.751 114 HG3 GLU 16 HG3 GLU 16 2.520 -3.688 6.678 115 H LYS 17 H LYS 17 -0.743 -0.869 3.439 116 HA LYS 17 HA LYS 17 0.675 0.747 1.412 117 HB2 LYS 17 HB2 LYS 17 -1.703 0.216 1.159 118 HB3 LYS 17 HB3 LYS 17 -2.078 1.073 2.654 119 HG2 LYS 17 HG2 LYS 17 -1.137 3.194 1.589 120 HG3 LYS 17 HG3 LYS 17 -0.880 2.270 0.108 121 HD2 LYS 17 HD2 LYS 17 -2.913 3.281 -0.349 122 HD3 LYS 17 HD3 LYS 17 -3.464 1.728 0.299 123 HE2 LYS 17 HE2 LYS 17 -3.506 2.959 2.607 124 HE3 LYS 17 HE3 LYS 17 -3.332 4.450 1.665 125 HZ1 LYS 17 HZ1 LYS 17 -5.386 3.729 0.468 126 HZ2 LYS 17 HZ2 LYS 17 -5.622 4.032 2.069 127 HZ3 LYS 17 HZ3 LYS 17 -5.556 2.502 1.538 128 H ARG 18 H ARG 18 2.114 2.268 2.083 129 HA ARG 18 HA ARG 18 1.454 3.797 4.568 130 HB2 ARG 18 HB2 ARG 18 4.190 3.076 3.514 131 HB3 ARG 18 HB3 ARG 18 3.860 3.842 5.037 132 HG2 ARG 18 HG2 ARG 18 3.007 0.963 4.390 133 HG3 ARG 18 HG3 ARG 18 4.496 1.418 5.173 134 HD2 ARG 18 HD2 ARG 18 3.163 2.645 6.925 135 HD3 ARG 18 HD3 ARG 18 1.686 2.066 6.152 136 HE ARG 18 HE ARG 18 1.938 0.007 7.149 137 HH11 ARG 18 HH11 ARG 18 5.050 1.729 7.443 138 HH12 ARG 18 HH12 ARG 18 5.713 0.583 8.537 139 HH21 ARG 18 HH21 ARG 18 2.807 -1.474 8.565 140 HH22 ARG 18 HH22 ARG 18 4.355 -1.220 9.326 141 H MET 19 H MET 19 2.937 5.788 4.531 142 HA MET 19 HA MET 19 3.004 7.015 1.852 143 HB2 MET 19 HB2 MET 19 0.986 7.846 3.024 144 HB3 MET 19 HB3 MET 19 2.006 8.401 4.376 145 HG2 MET 19 HG2 MET 19 3.253 9.860 2.880 146 HG3 MET 19 HG3 MET 19 2.420 9.197 1.474 147 HE1 MET 19 HE1 MET 19 1.211 10.657 4.973 148 HE2 MET 19 HE2 MET 19 2.371 11.836 4.313 149 HE3 MET 19 HE3 MET 19 0.650 12.252 4.433 150 H GLU 20 H GLU 20 4.866 7.954 1.445 151 HA GLU 20 HA GLU 20 7.161 7.525 3.087 152 HB2 GLU 20 HB2 GLU 20 6.625 9.199 0.654 153 HB3 GLU 20 HB3 GLU 20 8.242 8.970 1.380 154 HG2 GLU 20 HG2 GLU 20 7.659 6.469 1.156 155 HG3 GLU 20 HG3 GLU 20 6.470 6.962 -0.044 156 H ARG 21 H ARG 21 7.594 8.774 5.013 157 HA ARG 21 HA ARG 21 6.201 11.344 5.274 158 HB2 ARG 21 HB2 ARG 21 7.260 11.621 7.370 159 HB3 ARG 21 HB3 ARG 21 6.699 9.952 7.266 160 HG2 ARG 21 HG2 ARG 21 8.998 9.155 6.871 161 HG3 ARG 21 HG3 ARG 21 9.586 10.833 6.768 162 HD2 ARG 21 HD2 ARG 21 10.142 10.182 8.931 163 HD3 ARG 21 HD3 ARG 21 8.729 11.187 9.126 164 HE ARG 21 HE ARG 21 7.356 9.201 9.380 165 HH11 ARG 21 HH11 ARG 21 10.853 8.780 9.906 166 HH12 ARG 21 HH12 ARG 21 10.652 7.567 11.130 167 HH21 ARG 21 HH21 ARG 21 7.154 7.341 10.961 168 HH22 ARG 21 HH22 ARG 21 8.616 6.865 11.743 169 H SER 22 H SER 22 9.042 10.311 3.702 170 HA SER 22 HA SER 22 10.806 12.398 3.794 171 HB2 SER 22 HB2 SER 22 10.093 10.656 1.410 172 HB3 SER 22 HB3 SER 22 11.682 11.322 1.815 173 HG SER 22 HG SER 22 12.002 9.675 3.011 174 H SER 23 H SER 23 8.056 11.924 1.461 175 HA SER 23 HA SER 23 7.994 14.858 1.076 176 HB2 SER 23 HB2 SER 23 7.891 12.938 -1.270 177 HB3 SER 23 HB3 SER 23 7.732 14.654 -1.303 178 HG SER 23 HG SER 23 9.991 13.042 -0.697 179 H GLY 24 H GLY 24 6.260 11.844 1.488 180 HA2 GLY 24 HA2 GLY 24 4.081 11.823 2.272 181 HA3 GLY 24 HA3 GLY 24 3.735 13.373 1.503 182 H ARG 25 H ARG 25 5.182 10.224 0.169 183 HA ARG 25 HA ARG 25 2.976 10.435 -1.828 184 HB2 ARG 25 HB2 ARG 25 5.457 10.772 -2.527 185 HB3 ARG 25 HB3 ARG 25 5.615 9.043 -2.230 186 HG2 ARG 25 HG2 ARG 25 5.083 9.238 -4.558 187 HG3 ARG 25 HG3 ARG 25 3.547 8.767 -3.807 188 HD2 ARG 25 HD2 ARG 25 2.894 11.224 -3.781 189 HD3 ARG 25 HD3 ARG 25 4.414 11.560 -4.618 190 HE ARG 25 HE ARG 25 2.693 9.569 -5.896 191 HH11 ARG 25 HH11 ARG 25 3.427 13.097 -5.718 192 HH12 ARG 25 HH12 ARG 25 2.621 13.419 -7.224 193 HH21 ARG 25 HH21 ARG 25 1.711 10.091 -7.912 194 HH22 ARG 25 HH22 ARG 25 1.721 11.739 -8.473 195 H VAL 26 H VAL 26 1.619 8.795 -1.927 196 HA VAL 26 HA VAL 26 1.780 6.741 0.156 197 HB VAL 26 HB VAL 26 -0.324 6.992 -2.023 198 HG11 VAL 26 HG11 VAL 26 -0.276 5.560 0.692 199 HG12 VAL 26 HG12 VAL 26 -1.702 5.714 -0.362 200 HG13 VAL 26 HG13 VAL 26 -0.304 4.781 -0.901 201 HG21 VAL 26 HG21 VAL 26 -0.246 9.079 -0.685 202 HG22 VAL 26 HG22 VAL 26 -1.670 8.123 -0.252 203 HG23 VAL 26 HG23 VAL 26 -0.254 8.129 0.817 204 H TYR 27 H TYR 27 2.176 4.531 -0.150 205 HA TYR 27 HA TYR 27 2.742 3.450 -2.779 206 HB2 TYR 27 HB2 TYR 27 5.060 3.046 -2.448 207 HB3 TYR 27 HB3 TYR 27 4.828 4.744 -2.111 208 HD1 TYR 27 HD2 TYR 27 4.491 5.412 0.442 209 HD2 TYR 27 HD1 TYR 27 6.321 1.782 -0.947 210 HE1 TYR 27 HE2 TYR 27 5.623 5.177 2.617 211 HE2 TYR 27 HE1 TYR 27 7.422 1.495 1.251 212 HH TYR 27 HH TYR 27 7.406 4.007 3.763 213 H TYR 28 H TYR 28 3.873 1.129 -2.201 214 HA TYR 28 HA TYR 28 2.369 -0.042 0.090 215 HB2 TYR 28 HB2 TYR 28 2.942 -1.350 -2.607 216 HB3 TYR 28 HB3 TYR 28 2.026 -2.002 -1.248 217 HD1 TYR 28 HD1 TYR 28 0.059 -0.327 -0.402 218 HD2 TYR 28 HD2 TYR 28 1.680 -0.412 -4.382 219 HE1 TYR 28 HE1 TYR 28 -2.048 0.631 -1.267 220 HE2 TYR 28 HE2 TYR 28 -0.439 0.530 -5.267 221 HH TYR 28 HH TYR 28 -3.339 0.738 -3.300 222 H PHE 29 H PHE 29 3.544 -1.576 1.277 223 HA PHE 29 HA PHE 29 6.420 -1.992 0.610 224 HB2 PHE 29 HB2 PHE 29 6.167 -0.119 2.209 225 HB3 PHE 29 HB3 PHE 29 5.240 -1.167 3.290 226 HD1 PHE 29 HD2 PHE 29 6.377 -3.127 4.397 227 HD2 PHE 29 HD1 PHE 29 8.580 -0.257 2.049 228 HE1 PHE 29 HE2 PHE 29 8.515 -3.915 5.395 229 HE2 PHE 29 HE1 PHE 29 10.684 -1.036 3.071 230 HZ PHE 29 HZ PHE 29 10.635 -2.857 4.755 231 H ASN 30 H ASN 30 6.949 -4.045 0.770 232 HA ASN 30 HA ASN 30 5.044 -6.022 1.926 233 HB2 ASN 30 HB2 ASN 30 6.015 -6.265 -0.371 234 HB3 ASN 30 HB3 ASN 30 7.559 -6.651 0.365 235 HD21 ASN 30 HD21 ASN 30 6.512 -8.627 -1.255 236 HD22 ASN 30 HD22 ASN 30 5.541 -9.753 -0.357 237 H HIS 31 H HIS 31 5.406 -6.184 4.184 238 HA HIS 31 HA HIS 31 8.080 -5.849 5.247 239 HB2 HIS 31 HB2 HIS 31 7.107 -6.149 7.354 240 HB3 HIS 31 HB3 HIS 31 5.906 -5.247 6.421 241 HD1 HIS 31 HD1 HIS 31 6.588 -8.759 7.869 242 HD2 HIS 31 HD2 HIS 31 3.511 -6.467 6.103 243 HE1 HIS 31 HE1 HIS 31 4.500 -10.152 7.983 244 H ILE 32 H ILE 32 6.625 -8.489 3.683 245 HA ILE 32 HA ILE 32 7.845 -10.573 5.252 246 HB ILE 32 HB ILE 32 6.755 -10.496 2.411 247 HG12 ILE 32 HG12 ILE 32 5.801 -11.632 5.073 248 HG13 ILE 32 HG13 ILE 32 5.117 -10.264 4.206 249 HG21 ILE 32 HG21 ILE 32 6.910 -12.971 2.349 250 HG22 ILE 32 HG22 ILE 32 8.472 -12.190 2.328 251 HG23 ILE 32 HG23 ILE 32 7.882 -12.926 3.838 252 HD11 ILE 32 HD11 ILE 32 4.500 -11.909 2.332 253 HD12 ILE 32 HD12 ILE 32 4.916 -13.207 3.465 254 HD13 ILE 32 HD13 ILE 32 3.615 -12.079 3.859 255 H THR 33 H THR 33 8.865 -8.717 2.350 256 HA THR 33 HA THR 33 11.575 -9.958 2.790 257 HB THR 33 HB THR 33 10.095 -10.821 0.936 258 HG1 THR 33 HG1 THR 33 11.650 -11.208 -0.340 259 HG21 THR 33 HG21 THR 33 10.857 -8.216 -0.406 260 HG22 THR 33 HG22 THR 33 9.208 -8.686 0.102 261 HG23 THR 33 HG23 THR 33 10.037 -9.591 -1.166 262 H ASN 34 H ASN 34 9.900 -7.118 3.032 263 HA ASN 34 HA ASN 34 10.557 -5.003 3.477 264 HB2 ASN 34 HB2 ASN 34 12.751 -6.105 4.263 265 HB3 ASN 34 HB3 ASN 34 13.429 -5.564 2.723 266 HD21 ASN 34 HD21 ASN 34 13.577 -4.824 5.792 267 HD22 ASN 34 HD22 ASN 34 13.652 -3.073 5.741 268 H ALA 35 H ALA 35 9.733 -6.161 0.893 269 HA ALA 35 HA ALA 35 11.051 -4.441 -1.140 270 HB1 ALA 35 HB1 ALA 35 9.467 -5.480 -2.753 271 HB2 ALA 35 HB2 ALA 35 10.460 -6.674 -1.936 272 HB3 ALA 35 HB3 ALA 35 8.757 -6.441 -1.459 273 H SER 36 H SER 36 9.297 -3.313 -2.631 274 HA SER 36 HA SER 36 7.002 -2.276 -1.335 275 HB2 SER 36 HB2 SER 36 7.782 -0.012 -1.132 276 HB3 SER 36 HB3 SER 36 8.911 -1.100 -0.346 277 HG SER 36 HG SER 36 9.760 0.669 -1.873 278 H GLN 37 H GLN 37 5.831 -0.784 -2.869 279 HA GLN 37 HA GLN 37 6.818 -0.474 -5.466 280 HB2 GLN 37 HB2 GLN 37 5.410 -2.993 -5.038 281 HB3 GLN 37 HB3 GLN 37 4.383 -1.969 -6.021 282 HG2 GLN 37 HG2 GLN 37 7.267 -2.746 -6.641 283 HG3 GLN 37 HG3 GLN 37 5.815 -3.347 -7.434 284 HE21 GLN 37 HE21 GLN 37 8.345 -1.407 -8.107 285 HE22 GLN 37 HE22 GLN 37 7.583 -0.198 -9.087 286 H TRP 38 H TRP 38 5.029 0.487 -6.847 287 HA TRP 38 HA TRP 38 3.320 2.286 -5.215 288 HB2 TRP 38 HB2 TRP 38 4.389 2.692 -8.029 289 HB3 TRP 38 HB3 TRP 38 3.613 3.867 -6.977 290 HD1 TRP 38 HD1 TRP 38 6.900 1.911 -7.268 291 HE1 TRP 38 HE1 TRP 38 8.713 3.023 -5.830 292 HE3 TRP 38 HE3 TRP 38 4.019 5.492 -5.014 293 HZ2 TRP 38 HZ2 TRP 38 8.899 5.274 -3.993 294 HZ3 TRP 38 HZ3 TRP 38 5.029 7.051 -3.413 295 HH2 TRP 38 HH2 TRP 38 7.452 7.006 -2.945 296 H GLU 39 H GLU 39 3.420 -0.090 -7.816 297 HA GLU 39 HA GLU 39 0.632 0.311 -8.651 298 HB2 GLU 39 HB2 GLU 39 2.619 -1.914 -9.259 299 HB3 GLU 39 HB3 GLU 39 1.089 -1.617 -10.096 300 HG2 GLU 39 HG2 GLU 39 2.001 0.671 -10.745 301 HG3 GLU 39 HG3 GLU 39 3.569 0.179 -10.100 302 H ARG 40 H ARG 40 -1.042 -1.394 -8.173 303 HA ARG 40 HA ARG 40 -0.881 -2.199 -5.474 304 HB2 ARG 40 HB2 ARG 40 -2.814 -2.925 -7.674 305 HB3 ARG 40 HB3 ARG 40 -2.950 -3.585 -6.047 306 HG2 ARG 40 HG2 ARG 40 -3.270 -1.460 -5.032 307 HG3 ARG 40 HG3 ARG 40 -2.721 -0.594 -6.449 308 HD2 ARG 40 HD2 ARG 40 -5.029 -0.318 -6.538 309 HD3 ARG 40 HD3 ARG 40 -4.776 -1.623 -7.686 310 HE ARG 40 HE ARG 40 -6.000 -1.723 -4.996 311 HH11 ARG 40 HH11 ARG 40 -5.055 -3.694 -7.862 312 HH12 ARG 40 HH12 ARG 40 -5.710 -5.132 -7.140 313 HH21 ARG 40 HH21 ARG 40 -7.079 -3.674 -4.303 314 HH22 ARG 40 HH22 ARG 40 -6.826 -5.116 -5.237 315 HA PRO 41 HA PRO 41 1.521 -5.930 -6.222 316 HB2 PRO 41 HB2 PRO 41 1.635 -6.829 -3.627 317 HB3 PRO 41 HB3 PRO 41 2.639 -5.513 -4.269 318 HG2 PRO 41 HG2 PRO 41 0.049 -5.361 -2.720 319 HG3 PRO 41 HG3 PRO 41 1.529 -4.390 -2.444 320 HD2 PRO 41 HD2 PRO 41 -0.611 -3.442 -3.816 321 HD3 PRO 41 HD3 PRO 41 1.053 -3.004 -4.270 322 H SER 42 H SER 42 1.316 -8.234 -5.482 323 HA SER 42 HA SER 42 -1.342 -9.320 -5.003 324 HB2 SER 42 HB2 SER 42 -1.215 -8.891 -7.469 325 HB3 SER 42 HB3 SER 42 0.231 -9.917 -7.558 326 HG SER 42 HG SER 42 -0.956 -11.609 -7.469 327 H GLY 43 H GLY 43 -0.198 -9.740 -3.107 328 HA2 GLY 43 HA2 GLY 43 1.100 -10.863 -1.555 329 HA3 GLY 43 HA3 GLY 43 0.678 -12.267 -2.534 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.709 7.349 -8.698 2 HA2 GLY 1 HA2 GLY 1 -14.110 6.938 -8.453 3 HA3 GLY 1 HA3 GLY 1 -13.154 5.861 -7.425 4 H LEU 2 H LEU 2 -15.760 6.289 -6.770 5 HA LEU 2 HA LEU 2 -15.559 7.820 -4.254 6 HB2 LEU 2 HB2 LEU 2 -16.703 9.189 -6.125 7 HB3 LEU 2 HB3 LEU 2 -17.999 8.012 -6.070 8 HG LEU 2 HG LEU 2 -18.601 9.934 -4.795 9 HD11 LEU 2 HD11 LEU 2 -19.219 7.658 -3.798 10 HD12 LEU 2 HD12 LEU 2 -19.269 9.058 -2.713 11 HD13 LEU 2 HD13 LEU 2 -17.919 7.936 -2.633 12 HD21 LEU 2 HD21 LEU 2 -16.164 9.518 -3.017 13 HD22 LEU 2 HD22 LEU 2 -17.359 10.834 -2.989 14 HD23 LEU 2 HD23 LEU 2 -16.245 10.694 -4.348 15 H GLU 3 H GLU 3 -15.906 6.361 -2.746 16 HA GLU 3 HA GLU 3 -18.000 4.302 -2.946 17 HB2 GLU 3 HB2 GLU 3 -14.993 4.011 -2.459 18 HB3 GLU 3 HB3 GLU 3 -16.121 2.821 -1.854 19 HG2 GLU 3 HG2 GLU 3 -15.955 3.581 -4.815 20 HG3 GLU 3 HG3 GLU 3 -15.043 2.272 -4.095 21 H HIS 4 H HIS 4 -18.059 3.305 -0.560 22 HA HIS 4 HA HIS 4 -17.524 5.400 1.485 23 HB2 HIS 4 HB2 HIS 4 -19.946 5.395 0.707 24 HB3 HIS 4 HB3 HIS 4 -20.094 3.798 1.436 25 HD1 HIS 4 HD1 HIS 4 -18.581 7.178 2.807 26 HD2 HIS 4 HD2 HIS 4 -21.384 4.161 3.732 27 HE1 HIS 4 HE1 HIS 4 -19.516 7.728 5.082 28 H MET 5 H MET 5 -16.954 2.250 0.494 29 HA MET 5 HA MET 5 -15.974 1.494 3.175 30 HB2 MET 5 HB2 MET 5 -16.750 -0.878 2.716 31 HB3 MET 5 HB3 MET 5 -17.973 0.269 3.263 32 HG2 MET 5 HG2 MET 5 -18.864 0.508 1.036 33 HG3 MET 5 HG3 MET 5 -17.555 -0.457 0.346 34 HE1 MET 5 HE1 MET 5 -18.465 -2.550 -0.796 35 HE2 MET 5 HE2 MET 5 -20.167 -2.981 -0.505 36 HE3 MET 5 HE3 MET 5 -19.729 -1.322 -0.935 37 H ALA 6 H ALA 6 -13.985 2.146 2.373 38 HA ALA 6 HA ALA 6 -12.901 1.092 -0.144 39 HB1 ALA 6 HB1 ALA 6 -12.345 3.367 0.585 40 HB2 ALA 6 HB2 ALA 6 -11.685 2.741 2.116 41 HB3 ALA 6 HB3 ALA 6 -10.892 2.365 0.576 42 H ASP 7 H ASP 7 -13.527 -1.131 0.696 43 HA ASP 7 HA ASP 7 -11.678 -2.262 2.716 44 HB2 ASP 7 HB2 ASP 7 -14.258 -3.208 1.478 45 HB3 ASP 7 HB3 ASP 7 -13.153 -4.342 2.286 46 H GLU 8 H GLU 8 -12.251 -2.059 -0.673 47 HA GLU 8 HA GLU 8 -10.426 -4.163 -1.410 48 HB2 GLU 8 HB2 GLU 8 -10.845 -3.464 -3.596 49 HB3 GLU 8 HB3 GLU 8 -12.365 -3.452 -2.773 50 HG2 GLU 8 HG2 GLU 8 -12.693 -1.218 -3.119 51 HG3 GLU 8 HG3 GLU 8 -11.005 -0.800 -2.841 52 H GLU 9 H GLU 9 -9.813 -1.412 0.201 53 HA GLU 9 HA GLU 9 -7.374 -0.546 -1.227 54 HB2 GLU 9 HB2 GLU 9 -9.272 0.969 -0.184 55 HB3 GLU 9 HB3 GLU 9 -8.382 0.678 1.320 56 HG2 GLU 9 HG2 GLU 9 -6.283 1.449 0.039 57 HG3 GLU 9 HG3 GLU 9 -7.366 1.931 -1.276 58 H LYS 10 H LYS 10 -8.218 -2.937 1.093 59 HA LYS 10 HA LYS 10 -5.904 -2.600 2.816 60 HB2 LYS 10 HB2 LYS 10 -8.081 -4.736 2.550 61 HB3 LYS 10 HB3 LYS 10 -6.633 -4.947 3.545 62 HG2 LYS 10 HG2 LYS 10 -8.091 -4.094 5.105 63 HG3 LYS 10 HG3 LYS 10 -7.198 -2.663 4.587 64 HD2 LYS 10 HD2 LYS 10 -9.172 -2.187 2.997 65 HD3 LYS 10 HD3 LYS 10 -10.033 -3.468 3.883 66 HE2 LYS 10 HE2 LYS 10 -9.598 -2.232 6.002 67 HE3 LYS 10 HE3 LYS 10 -8.726 -1.002 5.069 68 HZ1 LYS 10 HZ1 LYS 10 -11.625 -1.596 4.828 69 HZ2 LYS 10 HZ2 LYS 10 -10.794 -0.529 3.891 70 HZ3 LYS 10 HZ3 LYS 10 -10.920 -0.260 5.494 71 H LEU 11 H LEU 11 -4.000 -3.112 2.227 72 HA LEU 11 HA LEU 11 -3.361 -4.414 -0.199 73 HB2 LEU 11 HB2 LEU 11 -1.845 -3.483 2.238 74 HB3 LEU 11 HB3 LEU 11 -1.003 -4.481 1.082 75 HG LEU 11 HG LEU 11 -0.799 -1.980 0.746 76 HD11 LEU 11 HD11 LEU 11 -0.974 -2.140 -1.736 77 HD12 LEU 11 HD12 LEU 11 -1.897 -3.617 -1.588 78 HD13 LEU 11 HD13 LEU 11 -0.203 -3.553 -1.019 79 HD21 LEU 11 HD21 LEU 11 -2.615 -0.850 -0.558 80 HD22 LEU 11 HD22 LEU 11 -3.127 -1.248 1.064 81 HD23 LEU 11 HD23 LEU 11 -3.662 -2.196 -0.346 82 HA PRO 12 HA PRO 12 -3.453 -8.721 0.545 83 HB2 PRO 12 HB2 PRO 12 -1.160 -9.581 -0.838 84 HB3 PRO 12 HB3 PRO 12 -2.750 -9.197 -1.578 85 HG2 PRO 12 HG2 PRO 12 -0.250 -7.559 -1.421 86 HG3 PRO 12 HG3 PRO 12 -1.461 -7.620 -2.722 87 HD2 PRO 12 HD2 PRO 12 -1.278 -5.623 -0.867 88 HD3 PRO 12 HD3 PRO 12 -2.810 -6.047 -1.681 89 HA PRO 13 HA PRO 13 -0.984 -10.198 3.826 90 HB2 PRO 13 HB2 PRO 13 -0.140 -12.750 3.073 91 HB3 PRO 13 HB3 PRO 13 -1.759 -12.325 3.687 92 HG2 PRO 13 HG2 PRO 13 -0.877 -12.593 0.814 93 HG3 PRO 13 HG3 PRO 13 -2.357 -13.251 1.589 94 HD2 PRO 13 HD2 PRO 13 -2.490 -11.015 0.167 95 HD3 PRO 13 HD3 PRO 13 -3.339 -11.072 1.730 96 H GLY 14 H GLY 14 0.807 -9.301 4.281 97 HA2 GLY 14 HA2 GLY 14 3.208 -9.357 4.478 98 HA3 GLY 14 HA3 GLY 14 3.320 -9.766 2.766 99 H TRP 15 H TRP 15 1.264 -7.721 1.975 100 HA TRP 15 HA TRP 15 3.181 -5.502 1.884 101 HB2 TRP 15 HB2 TRP 15 0.575 -6.034 0.464 102 HB3 TRP 15 HB3 TRP 15 1.549 -4.596 0.251 103 HD1 TRP 15 HD1 TRP 15 1.687 -8.375 -0.525 104 HE1 TRP 15 HE1 TRP 15 3.292 -8.716 -2.488 105 HE3 TRP 15 HE3 TRP 15 3.684 -3.710 -0.680 106 HZ2 TRP 15 HZ2 TRP 15 5.173 -7.111 -4.002 107 HZ3 TRP 15 HZ3 TRP 15 5.341 -3.098 -2.438 108 HH2 TRP 15 HH2 TRP 15 6.128 -4.803 -4.077 109 H GLU 16 H GLU 16 2.729 -3.463 2.456 110 HA GLU 16 HA GLU 16 0.375 -2.733 4.114 111 HB2 GLU 16 HB2 GLU 16 3.344 -2.860 4.749 112 HB3 GLU 16 HB3 GLU 16 2.430 -1.509 5.399 113 HG2 GLU 16 HG2 GLU 16 1.441 -4.352 5.774 114 HG3 GLU 16 HG3 GLU 16 2.651 -3.620 6.849 115 H LYS 17 H LYS 17 -0.301 -0.684 3.627 116 HA LYS 17 HA LYS 17 1.144 0.869 1.577 117 HB2 LYS 17 HB2 LYS 17 -1.311 0.541 1.477 118 HB3 LYS 17 HB3 LYS 17 -1.499 1.378 3.029 119 HG2 LYS 17 HG2 LYS 17 -0.407 3.428 1.961 120 HG3 LYS 17 HG3 LYS 17 -0.378 2.542 0.437 121 HD2 LYS 17 HD2 LYS 17 -2.277 3.871 0.248 122 HD3 LYS 17 HD3 LYS 17 -2.949 2.302 0.721 123 HE2 LYS 17 HE2 LYS 17 -3.112 3.062 3.061 124 HE3 LYS 17 HE3 LYS 17 -2.336 4.605 2.629 125 HZ1 LYS 17 HZ1 LYS 17 -5.006 3.687 1.707 126 HZ2 LYS 17 HZ2 LYS 17 -4.274 5.047 1.182 127 HZ3 LYS 17 HZ3 LYS 17 -4.670 4.898 2.753 128 H ARG 18 H ARG 18 2.744 2.241 2.227 129 HA ARG 18 HA ARG 18 2.488 3.662 4.860 130 HB2 ARG 18 HB2 ARG 18 5.029 2.911 3.382 131 HB3 ARG 18 HB3 ARG 18 4.941 3.675 4.936 132 HG2 ARG 18 HG2 ARG 18 3.774 0.891 4.565 133 HG3 ARG 18 HG3 ARG 18 5.486 1.152 4.895 134 HD2 ARG 18 HD2 ARG 18 5.091 2.158 6.977 135 HD3 ARG 18 HD3 ARG 18 3.430 2.557 6.603 136 HE ARG 18 HE ARG 18 2.735 0.295 6.941 137 HH11 ARG 18 HH11 ARG 18 6.128 0.808 7.952 138 HH12 ARG 18 HH12 ARG 18 6.104 -0.519 9.051 139 HH21 ARG 18 HH21 ARG 18 2.705 -1.397 8.397 140 HH22 ARG 18 HH22 ARG 18 4.085 -1.746 9.380 141 H MET 19 H MET 19 4.348 5.581 4.554 142 HA MET 19 HA MET 19 3.968 6.923 2.005 143 HB2 MET 19 HB2 MET 19 2.094 7.768 3.477 144 HB3 MET 19 HB3 MET 19 3.310 8.231 4.669 145 HG2 MET 19 HG2 MET 19 4.409 9.535 2.640 146 HG3 MET 19 HG3 MET 19 2.843 9.353 1.877 147 HE1 MET 19 HE1 MET 19 5.076 11.235 4.522 148 HE2 MET 19 HE2 MET 19 3.862 11.682 5.732 149 HE3 MET 19 HE3 MET 19 4.252 9.982 5.450 150 H GLU 20 H GLU 20 5.814 7.850 1.460 151 HA GLU 20 HA GLU 20 8.162 7.294 2.881 152 HB2 GLU 20 HB2 GLU 20 7.410 8.530 0.360 153 HB3 GLU 20 HB3 GLU 20 8.697 9.468 1.134 154 HG2 GLU 20 HG2 GLU 20 8.782 6.483 0.759 155 HG3 GLU 20 HG3 GLU 20 9.478 7.641 -0.383 156 H ARG 21 H ARG 21 8.996 8.260 4.663 157 HA ARG 21 HA ARG 21 7.870 10.797 5.583 158 HB2 ARG 21 HB2 ARG 21 10.315 9.280 6.607 159 HB3 ARG 21 HB3 ARG 21 9.509 10.655 7.380 160 HG2 ARG 21 HG2 ARG 21 7.354 9.197 7.356 161 HG3 ARG 21 HG3 ARG 21 8.417 7.839 6.958 162 HD2 ARG 21 HD2 ARG 21 8.082 7.854 9.353 163 HD3 ARG 21 HD3 ARG 21 9.751 8.335 9.032 164 HE ARG 21 HE ARG 21 9.354 10.420 9.867 165 HH11 ARG 21 HH11 ARG 21 6.224 8.719 9.628 166 HH12 ARG 21 HH12 ARG 21 5.417 9.881 10.623 167 HH21 ARG 21 HH21 ARG 21 8.125 12.049 11.022 168 HH22 ARG 21 HH22 ARG 21 6.438 11.813 11.271 169 H SER 22 H SER 22 10.509 9.836 3.498 170 HA SER 22 HA SER 22 12.249 11.983 3.754 171 HB2 SER 22 HB2 SER 22 12.447 9.792 2.412 172 HB3 SER 22 HB3 SER 22 11.586 10.647 1.106 173 HG SER 22 HG SER 22 13.554 11.142 0.621 174 H SER 23 H SER 23 9.430 11.748 1.457 175 HA SER 23 HA SER 23 9.358 14.743 1.462 176 HB2 SER 23 HB2 SER 23 8.872 12.922 -0.908 177 HB3 SER 23 HB3 SER 23 8.764 14.656 -0.907 178 HG SER 23 HG SER 23 11.077 14.630 -0.280 179 H GLY 24 H GLY 24 7.464 11.709 1.248 180 HA2 GLY 24 HA2 GLY 24 5.379 11.732 2.511 181 HA3 GLY 24 HA3 GLY 24 5.020 13.321 1.878 182 H ARG 25 H ARG 25 6.108 10.189 0.216 183 HA ARG 25 HA ARG 25 3.621 10.540 -1.390 184 HB2 ARG 25 HB2 ARG 25 5.840 10.917 -2.583 185 HB3 ARG 25 HB3 ARG 25 6.148 9.203 -2.305 186 HG2 ARG 25 HG2 ARG 25 5.271 9.279 -4.481 187 HG3 ARG 25 HG3 ARG 25 3.864 8.803 -3.520 188 HD2 ARG 25 HD2 ARG 25 4.485 11.650 -4.397 189 HD3 ARG 25 HD3 ARG 25 3.476 10.553 -5.331 190 HE ARG 25 HE ARG 25 2.809 12.057 -2.961 191 HH11 ARG 25 HH11 ARG 25 1.890 9.207 -4.943 192 HH12 ARG 25 HH12 ARG 25 0.389 8.950 -4.155 193 HH21 ARG 25 HH21 ARG 25 0.819 11.576 -1.760 194 HH22 ARG 25 HH22 ARG 25 -0.243 10.336 -2.294 195 H VAL 26 H VAL 26 2.221 8.945 -1.356 196 HA VAL 26 HA VAL 26 2.585 6.789 0.546 197 HB VAL 26 HB VAL 26 0.275 7.442 -1.307 198 HG11 VAL 26 HG11 VAL 26 0.428 5.556 1.094 199 HG12 VAL 26 HG12 VAL 26 -1.072 6.050 0.268 200 HG13 VAL 26 HG13 VAL 26 0.144 5.088 -0.580 201 HG21 VAL 26 HG21 VAL 26 0.893 8.133 1.599 202 HG22 VAL 26 HG22 VAL 26 0.651 9.269 0.250 203 HG23 VAL 26 HG23 VAL 26 -0.699 8.317 0.879 204 H TYR 27 H TYR 27 2.660 4.566 0.072 205 HA TYR 27 HA TYR 27 2.823 3.590 -2.626 206 HB2 TYR 27 HB2 TYR 27 5.131 2.995 -2.641 207 HB3 TYR 27 HB3 TYR 27 5.070 4.700 -2.272 208 HD1 TYR 27 HD2 TYR 27 5.171 5.364 0.327 209 HD2 TYR 27 HD1 TYR 27 6.473 1.619 -1.357 210 HE1 TYR 27 HE2 TYR 27 6.660 5.005 2.279 211 HE2 TYR 27 HE1 TYR 27 7.864 1.198 0.642 212 HH TYR 27 HH TYR 27 9.032 2.365 2.357 213 H TYR 28 H TYR 28 3.900 1.148 -2.266 214 HA TYR 28 HA TYR 28 2.571 -0.017 0.121 215 HB2 TYR 28 HB2 TYR 28 2.936 -1.264 -2.622 216 HB3 TYR 28 HB3 TYR 28 2.080 -1.932 -1.238 217 HD1 TYR 28 HD1 TYR 28 0.288 -0.054 -0.229 218 HD2 TYR 28 HD2 TYR 28 1.525 -0.420 -4.342 219 HE1 TYR 28 HE1 TYR 28 -1.807 1.020 -0.928 220 HE2 TYR 28 HE2 TYR 28 -0.564 0.715 -5.056 221 HH TYR 28 HH TYR 28 -3.261 1.238 -2.940 222 H PHE 29 H PHE 29 3.815 -1.581 1.238 223 HA PHE 29 HA PHE 29 6.604 -2.104 0.355 224 HB2 PHE 29 HB2 PHE 29 6.585 -0.254 1.985 225 HB3 PHE 29 HB3 PHE 29 5.628 -1.225 3.100 226 HD1 PHE 29 HD2 PHE 29 6.680 -3.267 4.199 227 HD2 PHE 29 HD1 PHE 29 8.948 -0.567 1.708 228 HE1 PHE 29 HE2 PHE 29 8.811 -4.204 5.078 229 HE2 PHE 29 HE1 PHE 29 11.050 -1.441 2.671 230 HZ PHE 29 HZ PHE 29 10.960 -3.225 4.398 231 H ASN 30 H ASN 30 7.091 -4.206 0.551 232 HA ASN 30 HA ASN 30 5.140 -6.073 1.814 233 HB2 ASN 30 HB2 ASN 30 5.931 -6.409 -0.533 234 HB3 ASN 30 HB3 ASN 30 7.541 -6.707 0.096 235 HD21 ASN 30 HD21 ASN 30 6.611 -8.785 -1.310 236 HD22 ASN 30 HD22 ASN 30 6.049 -10.061 -0.249 237 H HIS 31 H HIS 31 5.593 -6.494 4.009 238 HA HIS 31 HA HIS 31 8.292 -6.164 5.013 239 HB2 HIS 31 HB2 HIS 31 7.385 -6.572 7.121 240 HB3 HIS 31 HB3 HIS 31 6.137 -5.666 6.270 241 HD1 HIS 31 HD1 HIS 31 6.963 -9.261 7.412 242 HD2 HIS 31 HD2 HIS 31 3.743 -6.859 6.114 243 HE1 HIS 31 HE1 HIS 31 4.875 -10.679 7.605 244 H ILE 32 H ILE 32 6.744 -8.760 3.435 245 HA ILE 32 HA ILE 32 8.022 -10.935 4.863 246 HB ILE 32 HB ILE 32 6.767 -10.729 2.101 247 HG12 ILE 32 HG12 ILE 32 5.874 -12.169 4.642 248 HG13 ILE 32 HG13 ILE 32 5.305 -10.574 4.151 249 HG21 ILE 32 HG21 ILE 32 7.852 -13.270 3.359 250 HG22 ILE 32 HG22 ILE 32 6.885 -13.159 1.867 251 HG23 ILE 32 HG23 ILE 32 8.475 -12.454 1.904 252 HD11 ILE 32 HD11 ILE 32 4.830 -13.180 2.658 253 HD12 ILE 32 HD12 ILE 32 3.643 -12.199 3.528 254 HD13 ILE 32 HD13 ILE 32 4.383 -11.570 2.052 255 H THR 33 H THR 33 8.868 -8.983 1.960 256 HA THR 33 HA THR 33 11.599 -10.151 2.227 257 HB THR 33 HB THR 33 10.139 -11.134 0.419 258 HG1 THR 33 HG1 THR 33 12.586 -10.047 -0.456 259 HG21 THR 33 HG21 THR 33 10.049 -10.042 -1.727 260 HG22 THR 33 HG22 THR 33 10.828 -8.591 -1.065 261 HG23 THR 33 HG23 THR 33 9.197 -9.067 -0.517 262 H ASN 34 H ASN 34 10.064 -7.436 2.878 263 HA ASN 34 HA ASN 34 10.718 -5.312 3.169 264 HB2 ASN 34 HB2 ASN 34 12.841 -6.591 3.913 265 HB3 ASN 34 HB3 ASN 34 13.548 -6.030 2.397 266 HD21 ASN 34 HD21 ASN 34 13.214 -3.436 2.126 267 HD22 ASN 34 HD22 ASN 34 13.629 -2.541 3.575 268 H ALA 35 H ALA 35 9.737 -6.232 0.604 269 HA ALA 35 HA ALA 35 11.120 -4.583 -1.440 270 HB1 ALA 35 HB1 ALA 35 9.399 -5.581 -2.990 271 HB2 ALA 35 HB2 ALA 35 10.443 -6.768 -2.220 272 HB3 ALA 35 HB3 ALA 35 8.778 -6.545 -1.652 273 H SER 36 H SER 36 9.375 -3.359 -2.880 274 HA SER 36 HA SER 36 7.123 -2.241 -1.605 275 HB2 SER 36 HB2 SER 36 7.878 -0.087 -1.131 276 HB3 SER 36 HB3 SER 36 9.190 -1.135 -0.592 277 HG SER 36 HG SER 36 9.817 0.784 -1.728 278 H GLN 37 H GLN 37 5.854 -0.861 -3.034 279 HA GLN 37 HA GLN 37 6.901 -0.231 -5.586 280 HB2 GLN 37 HB2 GLN 37 5.560 -2.809 -5.346 281 HB3 GLN 37 HB3 GLN 37 4.474 -1.738 -6.221 282 HG2 GLN 37 HG2 GLN 37 7.345 -2.348 -7.002 283 HG3 GLN 37 HG3 GLN 37 5.894 -3.001 -7.765 284 HE21 GLN 37 HE21 GLN 37 4.620 -1.550 -9.195 285 HE22 GLN 37 HE22 GLN 37 5.185 0.093 -9.555 286 H TRP 38 H TRP 38 5.053 0.823 -6.937 287 HA TRP 38 HA TRP 38 3.296 2.380 -5.122 288 HB2 TRP 38 HB2 TRP 38 3.979 2.957 -8.011 289 HB3 TRP 38 HB3 TRP 38 3.317 4.056 -6.810 290 HD1 TRP 38 HD1 TRP 38 6.568 2.301 -7.801 291 HE1 TRP 38 HE1 TRP 38 8.590 3.471 -6.723 292 HE3 TRP 38 HE3 TRP 38 4.097 5.618 -4.768 293 HZ2 TRP 38 HZ2 TRP 38 9.070 5.689 -4.951 294 HZ3 TRP 38 HZ3 TRP 38 5.366 7.141 -3.330 295 HH2 TRP 38 HH2 TRP 38 7.848 7.289 -3.487 296 H GLU 39 H GLU 39 3.234 0.036 -7.748 297 HA GLU 39 HA GLU 39 0.387 0.418 -8.395 298 HB2 GLU 39 HB2 GLU 39 2.551 -1.555 -9.177 299 HB3 GLU 39 HB3 GLU 39 0.912 -1.722 -9.745 300 HG2 GLU 39 HG2 GLU 39 2.588 0.776 -10.230 301 HG3 GLU 39 HG3 GLU 39 2.613 -0.621 -11.315 302 H ARG 40 H ARG 40 -1.226 -0.858 -7.550 303 HA ARG 40 HA ARG 40 -1.053 -2.088 -5.111 304 HB2 ARG 40 HB2 ARG 40 -3.038 -2.292 -7.357 305 HB3 ARG 40 HB3 ARG 40 -3.269 -3.228 -5.868 306 HG2 ARG 40 HG2 ARG 40 -3.413 -1.290 -4.503 307 HG3 ARG 40 HG3 ARG 40 -2.740 -0.248 -5.765 308 HD2 ARG 40 HD2 ARG 40 -5.096 0.117 -5.553 309 HD3 ARG 40 HD3 ARG 40 -4.709 -0.526 -7.159 310 HE ARG 40 HE ARG 40 -5.429 -2.735 -5.568 311 HH11 ARG 40 HH11 ARG 40 -6.968 0.212 -6.800 312 HH12 ARG 40 HH12 ARG 40 -8.589 -0.398 -6.583 313 HH21 ARG 40 HH21 ARG 40 -7.545 -3.558 -5.437 314 HH22 ARG 40 HH22 ARG 40 -8.918 -2.467 -5.699 315 HA PRO 41 HA PRO 41 0.911 -6.047 -6.345 316 HB2 PRO 41 HB2 PRO 41 1.356 -6.999 -3.823 317 HB3 PRO 41 HB3 PRO 41 2.349 -5.695 -4.566 318 HG2 PRO 41 HG2 PRO 41 0.022 -5.433 -2.654 319 HG3 PRO 41 HG3 PRO 41 1.590 -4.579 -2.579 320 HD2 PRO 41 HD2 PRO 41 -0.637 -3.451 -3.605 321 HD3 PRO 41 HD3 PRO 41 0.997 -3.094 -4.240 322 H SER 42 H SER 42 0.493 -8.424 -5.390 323 HA SER 42 HA SER 42 -2.133 -8.957 -4.342 324 HB2 SER 42 HB2 SER 42 -1.419 -9.771 -7.190 325 HB3 SER 42 HB3 SER 42 -2.808 -10.366 -6.257 326 HG SER 42 HG SER 42 -2.645 -7.661 -6.156 327 H GLY 43 H GLY 43 -1.770 -10.604 -2.986 328 HA2 GLY 43 HA2 GLY 43 0.662 -12.322 -3.273 329 HA3 GLY 43 HA3 GLY 43 0.084 -11.680 -1.719 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -14.824 10.912 -6.789 2 HA2 GLY 1 HA2 GLY 1 -16.384 9.548 -4.670 3 HA3 GLY 1 HA3 GLY 1 -14.918 8.889 -5.425 4 H LEU 2 H LEU 2 -15.768 9.978 -2.548 5 HA LEU 2 HA LEU 2 -13.156 11.172 -1.990 6 HB2 LEU 2 HB2 LEU 2 -14.592 13.133 -2.444 7 HB3 LEU 2 HB3 LEU 2 -15.826 12.511 -1.342 8 HG LEU 2 HG LEU 2 -14.295 12.782 0.581 9 HD11 LEU 2 HD11 LEU 2 -12.098 12.470 -0.445 10 HD12 LEU 2 HD12 LEU 2 -12.170 14.090 0.242 11 HD13 LEU 2 HD13 LEU 2 -12.360 13.867 -1.512 12 HD21 LEU 2 HD21 LEU 2 -15.765 14.640 -0.127 13 HD22 LEU 2 HD22 LEU 2 -14.477 15.282 -1.155 14 HD23 LEU 2 HD23 LEU 2 -14.278 15.230 0.620 15 H GLU 3 H GLU 3 -12.438 10.251 -0.117 16 HA GLU 3 HA GLU 3 -12.280 9.015 1.716 17 HB2 GLU 3 HB2 GLU 3 -13.775 10.985 2.433 18 HB3 GLU 3 HB3 GLU 3 -15.100 9.825 2.451 19 HG2 GLU 3 HG2 GLU 3 -13.781 8.465 4.145 20 HG3 GLU 3 HG3 GLU 3 -12.561 9.744 4.130 21 H HIS 4 H HIS 4 -14.070 7.977 -0.755 22 HA HIS 4 HA HIS 4 -15.521 5.773 0.435 23 HB2 HIS 4 HB2 HIS 4 -16.033 7.044 -1.748 24 HB3 HIS 4 HB3 HIS 4 -14.715 6.118 -2.471 25 HD1 HIS 4 HD1 HIS 4 -15.353 3.601 -3.176 26 HD2 HIS 4 HD2 HIS 4 -18.151 5.595 -0.736 27 HE1 HIS 4 HE1 HIS 4 -17.334 2.055 -2.976 28 H MET 5 H MET 5 -15.004 3.438 -0.483 29 HA MET 5 HA MET 5 -12.235 2.823 -1.001 30 HB2 MET 5 HB2 MET 5 -11.854 1.478 1.012 31 HB3 MET 5 HB3 MET 5 -12.079 3.165 1.433 32 HG2 MET 5 HG2 MET 5 -14.325 2.750 2.217 33 HG3 MET 5 HG3 MET 5 -14.329 1.111 1.588 34 HE1 MET 5 HE1 MET 5 -12.855 -0.807 2.383 35 HE2 MET 5 HE2 MET 5 -12.781 -1.083 4.142 36 HE3 MET 5 HE3 MET 5 -14.337 -0.770 3.352 37 H ALA 6 H ALA 6 -12.042 0.253 -0.635 38 HA ALA 6 HA ALA 6 -14.460 -1.216 -1.279 39 HB1 ALA 6 HB1 ALA 6 -13.369 -2.251 -3.266 40 HB2 ALA 6 HB2 ALA 6 -13.641 -0.520 -3.525 41 HB3 ALA 6 HB3 ALA 6 -12.014 -1.115 -3.119 42 H ASP 7 H ASP 7 -13.944 -3.496 -0.994 43 HA ASP 7 HA ASP 7 -12.153 -4.032 1.217 44 HB2 ASP 7 HB2 ASP 7 -13.764 -5.847 -0.616 45 HB3 ASP 7 HB3 ASP 7 -12.670 -6.479 0.622 46 H GLU 8 H GLU 8 -11.820 -3.907 -2.205 47 HA GLU 8 HA GLU 8 -9.675 -5.577 -2.806 48 HB2 GLU 8 HB2 GLU 8 -11.180 -4.201 -4.340 49 HB3 GLU 8 HB3 GLU 8 -10.289 -2.769 -3.847 50 HG2 GLU 8 HG2 GLU 8 -9.398 -3.430 -5.947 51 HG3 GLU 8 HG3 GLU 8 -8.184 -3.848 -4.743 52 H GLU 9 H GLU 9 -9.719 -2.406 -1.225 53 HA GLU 9 HA GLU 9 -6.908 -1.886 -1.417 54 HB2 GLU 9 HB2 GLU 9 -8.895 -0.249 -1.057 55 HB3 GLU 9 HB3 GLU 9 -8.728 -0.650 0.628 56 HG2 GLU 9 HG2 GLU 9 -7.519 1.388 0.222 57 HG3 GLU 9 HG3 GLU 9 -6.335 0.149 0.591 58 H LYS 10 H LYS 10 -8.293 -4.420 0.158 59 HA LYS 10 HA LYS 10 -6.618 -4.344 2.618 60 HB2 LYS 10 HB2 LYS 10 -8.487 -6.454 1.417 61 HB3 LYS 10 HB3 LYS 10 -7.521 -6.716 2.843 62 HG2 LYS 10 HG2 LYS 10 -9.639 -4.520 2.671 63 HG3 LYS 10 HG3 LYS 10 -9.930 -6.151 3.260 64 HD2 LYS 10 HD2 LYS 10 -9.523 -5.125 5.256 65 HD3 LYS 10 HD3 LYS 10 -7.919 -5.715 4.880 66 HE2 LYS 10 HE2 LYS 10 -7.677 -3.483 5.687 67 HE3 LYS 10 HE3 LYS 10 -7.367 -3.394 3.953 68 HZ1 LYS 10 HZ1 LYS 10 -8.779 -1.651 4.822 69 HZ2 LYS 10 HZ2 LYS 10 -9.976 -2.738 5.156 70 HZ3 LYS 10 HZ3 LYS 10 -9.508 -2.463 3.608 71 H LEU 11 H LEU 11 -4.611 -4.136 1.751 72 HA LEU 11 HA LEU 11 -3.616 -5.320 -0.532 73 HB2 LEU 11 HB2 LEU 11 -2.358 -4.354 2.052 74 HB3 LEU 11 HB3 LEU 11 -1.348 -5.157 0.882 75 HG LEU 11 HG LEU 11 -1.291 -2.709 0.695 76 HD11 LEU 11 HD11 LEU 11 -2.397 -4.148 -1.771 77 HD12 LEU 11 HD12 LEU 11 -0.697 -3.981 -1.258 78 HD13 LEU 11 HD13 LEU 11 -1.623 -2.581 -1.802 79 HD21 LEU 11 HD21 LEU 11 -3.182 -1.450 -0.221 80 HD22 LEU 11 HD22 LEU 11 -3.656 -2.238 1.275 81 HD23 LEU 11 HD23 LEU 11 -4.157 -2.879 -0.315 82 HA PRO 12 HA PRO 12 -3.174 -9.579 0.179 83 HB2 PRO 12 HB2 PRO 12 -0.653 -10.098 -0.909 84 HB3 PRO 12 HB3 PRO 12 -2.199 -10.027 -1.822 85 HG2 PRO 12 HG2 PRO 12 -0.009 -8.007 -1.588 86 HG3 PRO 12 HG3 PRO 12 -1.131 -8.277 -2.943 87 HD2 PRO 12 HD2 PRO 12 -1.326 -6.230 -1.101 88 HD3 PRO 12 HD3 PRO 12 -2.707 -6.851 -2.033 89 HA PRO 13 HA PRO 13 -0.895 -10.289 3.810 90 HB2 PRO 13 HB2 PRO 13 -0.029 -12.896 3.663 91 HB3 PRO 13 HB3 PRO 13 -1.728 -12.422 3.960 92 HG2 PRO 13 HG2 PRO 13 -0.428 -13.136 1.329 93 HG3 PRO 13 HG3 PRO 13 -1.972 -13.770 1.991 94 HD2 PRO 13 HD2 PRO 13 -1.908 -11.771 0.165 95 HD3 PRO 13 HD3 PRO 13 -3.072 -11.703 1.516 96 H GLY 14 H GLY 14 0.956 -9.468 4.301 97 HA2 GLY 14 HA2 GLY 14 3.353 -9.503 4.427 98 HA3 GLY 14 HA3 GLY 14 3.414 -9.969 2.718 99 H TRP 15 H TRP 15 1.267 -8.045 1.891 100 HA TRP 15 HA TRP 15 3.060 -5.722 1.725 101 HB2 TRP 15 HB2 TRP 15 0.560 -6.461 0.236 102 HB3 TRP 15 HB3 TRP 15 1.383 -4.944 0.071 103 HD1 TRP 15 HD1 TRP 15 2.032 -8.688 -0.694 104 HE1 TRP 15 HE1 TRP 15 3.774 -8.804 -2.563 105 HE3 TRP 15 HE3 TRP 15 3.434 -3.815 -0.711 106 HZ2 TRP 15 HZ2 TRP 15 5.603 -6.941 -3.918 107 HZ3 TRP 15 HZ3 TRP 15 5.128 -2.975 -2.325 108 HH2 TRP 15 HH2 TRP 15 6.236 -4.546 -3.916 109 H GLU 16 H GLU 16 2.533 -3.767 2.449 110 HA GLU 16 HA GLU 16 0.087 -3.341 4.103 111 HB2 GLU 16 HB2 GLU 16 3.061 -3.195 4.692 112 HB3 GLU 16 HB3 GLU 16 2.009 -2.023 5.416 113 HG2 GLU 16 HG2 GLU 16 1.218 -4.916 5.654 114 HG3 GLU 16 HG3 GLU 16 2.602 -4.358 6.552 115 H LYS 17 H LYS 17 -0.858 -1.430 3.599 116 HA LYS 17 HA LYS 17 0.432 0.353 1.659 117 HB2 LYS 17 HB2 LYS 17 -1.957 -0.194 1.595 118 HB3 LYS 17 HB3 LYS 17 -2.185 0.579 3.170 119 HG2 LYS 17 HG2 LYS 17 -1.481 2.760 2.206 120 HG3 LYS 17 HG3 LYS 17 -1.171 1.968 0.667 121 HD2 LYS 17 HD2 LYS 17 -3.228 2.897 0.277 122 HD3 LYS 17 HD3 LYS 17 -3.709 1.276 0.739 123 HE2 LYS 17 HE2 LYS 17 -3.563 3.493 2.801 124 HE3 LYS 17 HE3 LYS 17 -4.926 3.397 1.686 125 HZ1 LYS 17 HZ1 LYS 17 -5.420 2.299 3.709 126 HZ2 LYS 17 HZ2 LYS 17 -4.180 1.269 3.614 127 HZ3 LYS 17 HZ3 LYS 17 -5.421 1.202 2.512 128 H ARG 18 H ARG 18 1.674 2.018 2.155 129 HA ARG 18 HA ARG 18 1.705 3.188 4.884 130 HB2 ARG 18 HB2 ARG 18 3.966 2.513 2.932 131 HB3 ARG 18 HB3 ARG 18 4.216 3.379 4.441 132 HG2 ARG 18 HG2 ARG 18 3.073 0.540 4.326 133 HG3 ARG 18 HG3 ARG 18 4.770 0.924 4.439 134 HD2 ARG 18 HD2 ARG 18 4.399 2.140 6.555 135 HD3 ARG 18 HD3 ARG 18 2.656 1.907 6.420 136 HE ARG 18 HE ARG 18 4.702 -0.207 6.909 137 HH11 ARG 18 HH11 ARG 18 1.228 0.472 6.618 138 HH12 ARG 18 HH12 ARG 18 0.773 -0.999 7.397 139 HH21 ARG 18 HH21 ARG 18 4.097 -1.949 8.155 140 HH22 ARG 18 HH22 ARG 18 2.417 -2.303 8.463 141 H MET 19 H MET 19 3.177 5.301 4.560 142 HA MET 19 HA MET 19 2.478 6.731 2.120 143 HB2 MET 19 HB2 MET 19 0.606 7.261 3.675 144 HB3 MET 19 HB3 MET 19 1.788 7.799 4.891 145 HG2 MET 19 HG2 MET 19 2.661 9.461 3.259 146 HG3 MET 19 HG3 MET 19 1.416 8.981 2.102 147 HE1 MET 19 HE1 MET 19 -1.829 10.461 3.581 148 HE2 MET 19 HE2 MET 19 -1.024 9.821 2.136 149 HE3 MET 19 HE3 MET 19 -1.248 8.781 3.561 150 H GLU 20 H GLU 20 4.112 8.064 1.562 151 HA GLU 20 HA GLU 20 6.671 7.770 2.923 152 HB2 GLU 20 HB2 GLU 20 5.601 9.278 0.497 153 HB3 GLU 20 HB3 GLU 20 7.114 9.822 1.199 154 HG2 GLU 20 HG2 GLU 20 6.552 7.035 0.152 155 HG3 GLU 20 HG3 GLU 20 7.546 8.283 -0.617 156 H ARG 21 H ARG 21 7.326 9.024 4.684 157 HA ARG 21 HA ARG 21 5.569 11.172 5.547 158 HB2 ARG 21 HB2 ARG 21 6.861 9.853 7.167 159 HB3 ARG 21 HB3 ARG 21 8.385 10.462 6.486 160 HG2 ARG 21 HG2 ARG 21 7.895 12.732 7.184 161 HG3 ARG 21 HG3 ARG 21 6.219 12.308 7.541 162 HD2 ARG 21 HD2 ARG 21 7.343 12.517 9.603 163 HD3 ARG 21 HD3 ARG 21 6.985 10.805 9.361 164 HE ARG 21 HE ARG 21 9.619 11.383 8.370 165 HH11 ARG 21 HH11 ARG 21 7.848 11.404 11.444 166 HH12 ARG 21 HH12 ARG 21 9.216 11.028 12.417 167 HH21 ARG 21 HH21 ARG 21 11.510 10.866 9.699 168 HH22 ARG 21 HH22 ARG 21 11.308 10.837 11.409 169 H SER 22 H SER 22 8.784 11.020 3.958 170 HA SER 22 HA SER 22 9.369 13.726 3.884 171 HB2 SER 22 HB2 SER 22 10.027 11.580 1.835 172 HB3 SER 22 HB3 SER 22 10.903 13.105 2.062 173 HG SER 22 HG SER 22 11.879 12.320 3.738 174 H SER 23 H SER 23 6.856 12.197 1.925 175 HA SER 23 HA SER 23 6.573 14.801 0.545 176 HB2 SER 23 HB2 SER 23 6.515 12.173 -0.963 177 HB3 SER 23 HB3 SER 23 6.200 13.793 -1.625 178 HG SER 23 HG SER 23 8.349 14.308 -0.691 179 H GLY 24 H GLY 24 5.021 12.027 1.961 180 HA2 GLY 24 HA2 GLY 24 2.846 11.805 2.610 181 HA3 GLY 24 HA3 GLY 24 2.488 13.379 1.876 182 H ARG 25 H ARG 25 3.734 10.206 0.718 183 HA ARG 25 HA ARG 25 1.736 10.278 -1.496 184 HB2 ARG 25 HB2 ARG 25 4.232 10.830 -2.027 185 HB3 ARG 25 HB3 ARG 25 4.508 9.112 -1.775 186 HG2 ARG 25 HG2 ARG 25 4.060 9.078 -4.031 187 HG3 ARG 25 HG3 ARG 25 2.411 8.832 -3.425 188 HD2 ARG 25 HD2 ARG 25 2.359 10.478 -5.195 189 HD3 ARG 25 HD3 ARG 25 2.080 11.330 -3.662 190 HE ARG 25 HE ARG 25 4.840 11.104 -4.757 191 HH11 ARG 25 HH11 ARG 25 2.130 13.299 -4.039 192 HH12 ARG 25 HH12 ARG 25 3.187 14.634 -3.676 193 HH21 ARG 25 HH21 ARG 25 6.121 12.908 -4.725 194 HH22 ARG 25 HH22 ARG 25 5.476 14.489 -4.379 195 H VAL 26 H VAL 26 0.441 8.501 -1.378 196 HA VAL 26 HA VAL 26 0.974 6.471 0.625 197 HB VAL 26 HB VAL 26 -1.163 6.526 -1.543 198 HG11 VAL 26 HG11 VAL 26 -2.437 5.124 0.068 199 HG12 VAL 26 HG12 VAL 26 -0.962 4.321 -0.473 200 HG13 VAL 26 HG13 VAL 26 -1.015 5.075 1.135 201 HG21 VAL 26 HG21 VAL 26 -1.337 8.578 -0.221 202 HG22 VAL 26 HG22 VAL 26 -2.617 7.484 0.287 203 HG23 VAL 26 HG23 VAL 26 -1.158 7.655 1.290 204 H TYR 27 H TYR 27 1.617 4.299 0.243 205 HA TYR 27 HA TYR 27 2.110 3.328 -2.443 206 HB2 TYR 27 HB2 TYR 27 4.456 3.142 -2.350 207 HB3 TYR 27 HB3 TYR 27 4.106 4.779 -1.879 208 HD1 TYR 27 HD2 TYR 27 4.352 5.531 0.523 209 HD2 TYR 27 HD1 TYR 27 5.647 1.692 -0.915 210 HE1 TYR 27 HE2 TYR 27 5.912 5.338 2.449 211 HE2 TYR 27 HE1 TYR 27 7.076 1.408 1.046 212 HH TYR 27 HH TYR 27 8.291 2.732 2.531 213 H TYR 28 H TYR 28 3.326 1.039 -2.118 214 HA TYR 28 HA TYR 28 2.081 -0.298 0.239 215 HB2 TYR 28 HB2 TYR 28 2.578 -1.393 -2.553 216 HB3 TYR 28 HB3 TYR 28 1.818 -2.221 -1.207 217 HD1 TYR 28 HD1 TYR 28 -0.195 -0.628 -0.099 218 HD2 TYR 28 HD2 TYR 28 1.055 -0.634 -4.213 219 HE1 TYR 28 HE1 TYR 28 -2.364 0.377 -0.763 220 HE2 TYR 28 HE2 TYR 28 -1.137 0.296 -4.881 221 HH TYR 28 HH TYR 28 -3.806 0.956 -2.542 222 H PHE 29 H PHE 29 3.364 -1.787 1.367 223 HA PHE 29 HA PHE 29 6.245 -2.014 0.590 224 HB2 PHE 29 HB2 PHE 29 5.893 -0.277 2.339 225 HB3 PHE 29 HB3 PHE 29 5.087 -1.463 3.351 226 HD1 PHE 29 HD2 PHE 29 6.444 -3.544 4.153 227 HD2 PHE 29 HD1 PHE 29 8.272 -0.090 2.307 228 HE1 PHE 29 HE2 PHE 29 8.688 -4.259 4.952 229 HE2 PHE 29 HE1 PHE 29 10.478 -0.799 3.143 230 HZ PHE 29 HZ PHE 29 10.693 -2.901 4.465 231 H ASN 30 H ASN 30 6.912 -4.120 0.588 232 HA ASN 30 HA ASN 30 5.102 -6.166 1.714 233 HB2 ASN 30 HB2 ASN 30 5.907 -6.312 -0.618 234 HB3 ASN 30 HB3 ASN 30 7.539 -6.576 -0.020 235 HD21 ASN 30 HD21 ASN 30 6.728 -8.729 -1.498 236 HD22 ASN 30 HD22 ASN 30 6.169 -9.988 -0.441 237 H HIS 31 H HIS 31 5.557 -6.568 3.888 238 HA HIS 31 HA HIS 31 8.276 -6.249 4.890 239 HB2 HIS 31 HB2 HIS 31 7.397 -6.727 7.026 240 HB3 HIS 31 HB3 HIS 31 6.271 -5.674 6.209 241 HD1 HIS 31 HD1 HIS 31 6.526 -9.319 7.465 242 HD2 HIS 31 HD2 HIS 31 3.806 -6.572 5.796 243 HE1 HIS 31 HE1 HIS 31 4.222 -10.328 7.752 244 H ILE 32 H ILE 32 6.725 -8.796 3.261 245 HA ILE 32 HA ILE 32 8.066 -11.023 4.554 246 HB ILE 32 HB ILE 32 6.770 -10.709 1.823 247 HG12 ILE 32 HG12 ILE 32 5.961 -12.330 4.267 248 HG13 ILE 32 HG13 ILE 32 5.341 -10.725 3.899 249 HG21 ILE 32 HG21 ILE 32 6.942 -13.132 1.489 250 HG22 ILE 32 HG22 ILE 32 8.480 -12.313 1.420 251 HG23 ILE 32 HG23 ILE 32 8.028 -13.235 2.889 252 HD11 ILE 32 HD11 ILE 32 4.889 -13.266 2.284 253 HD12 ILE 32 HD12 ILE 32 3.702 -12.308 3.179 254 HD13 ILE 32 HD13 ILE 32 4.452 -11.642 1.709 255 H THR 33 H THR 33 8.844 -8.931 1.770 256 HA THR 33 HA THR 33 11.584 -10.119 1.806 257 HB THR 33 HB THR 33 10.024 -10.884 0.008 258 HG1 THR 33 HG1 THR 33 12.439 -9.742 -0.906 259 HG21 THR 33 HG21 THR 33 9.115 -8.631 -0.617 260 HG22 THR 33 HG22 THR 33 9.721 -9.599 -1.974 261 HG23 THR 33 HG23 THR 33 10.706 -8.263 -1.330 262 H ASN 34 H ASN 34 10.055 -7.471 2.783 263 HA ASN 34 HA ASN 34 10.692 -5.348 3.227 264 HB2 ASN 34 HB2 ASN 34 12.768 -6.741 3.968 265 HB3 ASN 34 HB3 ASN 34 13.529 -6.160 2.495 266 HD21 ASN 34 HD21 ASN 34 12.261 -5.301 5.609 267 HD22 ASN 34 HD22 ASN 34 13.027 -3.747 5.784 268 H ALA 35 H ALA 35 9.568 -5.703 0.836 269 HA ALA 35 HA ALA 35 11.077 -3.997 -1.097 270 HB1 ALA 35 HB1 ALA 35 10.694 -6.202 -1.997 271 HB2 ALA 35 HB2 ALA 35 8.976 -6.163 -1.577 272 HB3 ALA 35 HB3 ALA 35 9.613 -5.084 -2.826 273 H SER 36 H SER 36 9.273 -2.887 -2.654 274 HA SER 36 HA SER 36 6.878 -2.079 -1.388 275 HB2 SER 36 HB2 SER 36 7.584 -0.363 -0.150 276 HB3 SER 36 HB3 SER 36 9.249 -0.696 -0.597 277 HG SER 36 HG SER 36 9.118 1.229 -1.274 278 H GLN 37 H GLN 37 5.546 -0.788 -2.842 279 HA GLN 37 HA GLN 37 6.597 -0.034 -5.428 280 HB2 GLN 37 HB2 GLN 37 4.865 -2.502 -5.046 281 HB3 GLN 37 HB3 GLN 37 4.596 -1.460 -6.455 282 HG2 GLN 37 HG2 GLN 37 7.124 -1.741 -6.925 283 HG3 GLN 37 HG3 GLN 37 7.043 -3.091 -5.782 284 HE21 GLN 37 HE21 GLN 37 6.762 -5.057 -6.833 285 HE22 GLN 37 HE22 GLN 37 5.822 -5.261 -8.307 286 H TRP 38 H TRP 38 4.824 0.996 -6.697 287 HA TRP 38 HA TRP 38 2.919 2.417 -4.911 288 HB2 TRP 38 HB2 TRP 38 3.573 2.913 -7.843 289 HB3 TRP 38 HB3 TRP 38 2.676 3.966 -6.756 290 HD1 TRP 38 HD1 TRP 38 6.155 2.914 -7.717 291 HE1 TRP 38 HE1 TRP 38 7.921 4.365 -6.509 292 HE3 TRP 38 HE3 TRP 38 3.115 5.377 -4.447 293 HZ2 TRP 38 HZ2 TRP 38 7.968 6.463 -4.518 294 HZ3 TRP 38 HZ3 TRP 38 4.054 6.982 -2.826 295 HH2 TRP 38 HH2 TRP 38 6.483 7.568 -2.879 296 H GLU 39 H GLU 39 3.122 0.231 -7.713 297 HA GLU 39 HA GLU 39 0.277 0.287 -8.294 298 HB2 GLU 39 HB2 GLU 39 2.570 -1.531 -9.130 299 HB3 GLU 39 HB3 GLU 39 0.929 -1.636 -9.796 300 HG2 GLU 39 HG2 GLU 39 1.057 0.613 -10.679 301 HG3 GLU 39 HG3 GLU 39 2.609 0.920 -9.904 302 H ARG 40 H ARG 40 -1.197 -1.386 -7.922 303 HA ARG 40 HA ARG 40 -1.242 -2.524 -5.390 304 HB2 ARG 40 HB2 ARG 40 -2.798 -2.933 -7.939 305 HB3 ARG 40 HB3 ARG 40 -3.051 -4.051 -6.595 306 HG2 ARG 40 HG2 ARG 40 -3.710 -2.317 -5.092 307 HG3 ARG 40 HG3 ARG 40 -3.177 -1.043 -6.181 308 HD2 ARG 40 HD2 ARG 40 -5.660 -1.345 -6.130 309 HD3 ARG 40 HD3 ARG 40 -4.937 -1.459 -7.735 310 HE ARG 40 HE ARG 40 -5.138 -4.068 -6.588 311 HH11 ARG 40 HH11 ARG 40 -7.343 -1.559 -7.899 312 HH12 ARG 40 HH12 ARG 40 -8.328 -2.761 -8.677 313 HH21 ARG 40 HH21 ARG 40 -6.597 -5.552 -7.574 314 HH22 ARG 40 HH22 ARG 40 -7.907 -4.978 -8.563 315 HA PRO 41 HA PRO 41 1.461 -6.051 -6.330 316 HB2 PRO 41 HB2 PRO 41 1.799 -6.953 -3.767 317 HB3 PRO 41 HB3 PRO 41 2.596 -5.488 -4.370 318 HG2 PRO 41 HG2 PRO 41 0.032 -5.747 -2.777 319 HG3 PRO 41 HG3 PRO 41 1.385 -4.617 -2.467 320 HD2 PRO 41 HD2 PRO 41 -0.874 -3.883 -3.786 321 HD3 PRO 41 HD3 PRO 41 0.733 -3.200 -4.185 322 H SER 42 H SER 42 1.453 -8.425 -5.357 323 HA SER 42 HA SER 42 -1.173 -9.553 -4.801 324 HB2 SER 42 HB2 SER 42 -0.934 -9.468 -7.336 325 HB3 SER 42 HB3 SER 42 0.475 -10.537 -7.178 326 HG SER 42 HG SER 42 -1.678 -11.556 -7.471 327 H GLY 43 H GLY 43 -0.827 -10.810 -3.181 328 HA2 GLY 43 HA2 GLY 43 1.701 -11.569 -2.065 329 HA3 GLY 43 HA3 GLY 43 0.103 -12.078 -1.517 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -19.587 4.523 -11.314 2 HA2 GLY 1 HA2 GLY 1 -21.659 6.220 -10.046 3 HA3 GLY 1 HA3 GLY 1 -21.521 4.460 -9.836 4 H LEU 2 H LEU 2 -21.464 6.368 -7.663 5 HA LEU 2 HA LEU 2 -18.595 6.348 -6.808 6 HB2 LEU 2 HB2 LEU 2 -20.995 8.014 -6.048 7 HB3 LEU 2 HB3 LEU 2 -19.677 7.820 -4.915 8 HG LEU 2 HG LEU 2 -19.512 9.888 -6.178 9 HD11 LEU 2 HD11 LEU 2 -17.190 8.014 -6.799 10 HD12 LEU 2 HD12 LEU 2 -17.479 8.827 -5.244 11 HD13 LEU 2 HD13 LEU 2 -17.139 9.777 -6.696 12 HD21 LEU 2 HD21 LEU 2 -18.863 8.256 -8.660 13 HD22 LEU 2 HD22 LEU 2 -18.968 10.017 -8.499 14 HD23 LEU 2 HD23 LEU 2 -20.432 9.044 -8.358 15 H GLU 3 H GLU 3 -18.479 4.127 -6.335 16 HA GLU 3 HA GLU 3 -20.318 2.809 -4.511 17 HB2 GLU 3 HB2 GLU 3 -17.554 2.213 -5.610 18 HB3 GLU 3 HB3 GLU 3 -18.240 1.210 -4.326 19 HG2 GLU 3 HG2 GLU 3 -20.134 0.589 -5.704 20 HG3 GLU 3 HG3 GLU 3 -19.609 1.706 -6.976 21 H HIS 4 H HIS 4 -19.656 1.995 -2.375 22 HA HIS 4 HA HIS 4 -17.801 3.803 -0.890 23 HB2 HIS 4 HB2 HIS 4 -20.172 4.401 -0.533 24 HB3 HIS 4 HB3 HIS 4 -20.515 2.748 -0.021 25 HD1 HIS 4 HD1 HIS 4 -18.776 5.948 1.251 26 HD2 HIS 4 HD2 HIS 4 -19.984 2.082 2.457 27 HE1 HIS 4 HE1 HIS 4 -18.772 5.952 3.800 28 H MET 5 H MET 5 -16.389 1.896 -1.696 29 HA MET 5 HA MET 5 -16.021 0.096 0.499 30 HB2 MET 5 HB2 MET 5 -17.830 -1.024 -1.021 31 HB3 MET 5 HB3 MET 5 -16.531 -1.237 -2.179 32 HG2 MET 5 HG2 MET 5 -16.604 -2.277 0.687 33 HG3 MET 5 HG3 MET 5 -16.948 -3.213 -0.769 34 HE1 MET 5 HE1 MET 5 -15.266 -4.443 1.283 35 HE2 MET 5 HE2 MET 5 -15.443 -5.157 -0.332 36 HE3 MET 5 HE3 MET 5 -13.831 -5.014 0.399 37 H ALA 6 H ALA 6 -13.845 0.412 0.660 38 HA ALA 6 HA ALA 6 -12.242 0.710 -1.862 39 HB1 ALA 6 HB1 ALA 6 -11.864 2.074 0.837 40 HB2 ALA 6 HB2 ALA 6 -10.734 2.184 -0.515 41 HB3 ALA 6 HB3 ALA 6 -12.368 2.844 -0.683 42 H ASP 7 H ASP 7 -10.199 -0.231 -1.845 43 HA ASP 7 HA ASP 7 -9.702 -2.288 0.281 44 HB2 ASP 7 HB2 ASP 7 -10.434 -3.215 -1.902 45 HB3 ASP 7 HB3 ASP 7 -9.038 -2.445 -2.670 46 H GLU 8 H GLU 8 -8.480 0.494 -1.326 47 HA GLU 8 HA GLU 8 -5.710 0.090 -1.045 48 HB2 GLU 8 HB2 GLU 8 -5.487 2.405 -1.507 49 HB3 GLU 8 HB3 GLU 8 -6.803 1.806 -2.471 50 HG2 GLU 8 HG2 GLU 8 -8.449 2.879 -1.047 51 HG3 GLU 8 HG3 GLU 8 -7.214 3.325 0.126 52 H GLU 9 H GLU 9 -7.701 -0.055 1.501 53 HA GLU 9 HA GLU 9 -5.763 1.122 3.393 54 HB2 GLU 9 HB2 GLU 9 -8.110 2.290 2.996 55 HB3 GLU 9 HB3 GLU 9 -8.731 0.926 3.914 56 HG2 GLU 9 HG2 GLU 9 -8.393 2.597 5.509 57 HG3 GLU 9 HG3 GLU 9 -7.049 1.515 5.731 58 H LYS 10 H LYS 10 -6.921 -1.760 2.180 59 HA LYS 10 HA LYS 10 -6.540 -3.216 4.758 60 HB2 LYS 10 HB2 LYS 10 -8.598 -3.847 2.637 61 HB3 LYS 10 HB3 LYS 10 -8.257 -4.838 4.057 62 HG2 LYS 10 HG2 LYS 10 -9.149 -3.224 5.571 63 HG3 LYS 10 HG3 LYS 10 -9.286 -1.980 4.323 64 HD2 LYS 10 HD2 LYS 10 -10.887 -4.581 4.406 65 HD3 LYS 10 HD3 LYS 10 -11.476 -2.957 4.845 66 HE2 LYS 10 HE2 LYS 10 -10.727 -2.193 2.533 67 HE3 LYS 10 HE3 LYS 10 -10.470 -3.890 2.112 68 HZ1 LYS 10 HZ1 LYS 10 -12.645 -2.998 1.445 69 HZ2 LYS 10 HZ2 LYS 10 -13.069 -2.788 3.013 70 HZ3 LYS 10 HZ3 LYS 10 -12.782 -4.309 2.463 71 H LEU 11 H LEU 11 -4.516 -2.720 3.474 72 HA LEU 11 HA LEU 11 -3.840 -3.976 1.138 73 HB2 LEU 11 HB2 LEU 11 -2.227 -3.204 3.581 74 HB3 LEU 11 HB3 LEU 11 -1.419 -4.065 2.294 75 HG LEU 11 HG LEU 11 -1.140 -1.656 2.109 76 HD11 LEU 11 HD11 LEU 11 -0.952 -2.880 0.076 77 HD12 LEU 11 HD12 LEU 11 -1.836 -1.389 -0.304 78 HD13 LEU 11 HD13 LEU 11 -2.717 -2.875 -0.201 79 HD21 LEU 11 HD21 LEU 11 -3.396 -1.016 3.053 80 HD22 LEU 11 HD22 LEU 11 -4.114 -1.416 1.457 81 HD23 LEU 11 HD23 LEU 11 -2.949 -0.126 1.619 82 HA PRO 12 HA PRO 12 -3.864 -8.252 1.692 83 HB2 PRO 12 HB2 PRO 12 -1.675 -8.986 0.068 84 HB3 PRO 12 HB3 PRO 12 -3.356 -8.680 -0.506 85 HG2 PRO 12 HG2 PRO 12 -0.932 -6.951 -0.635 86 HG3 PRO 12 HG3 PRO 12 -2.339 -7.007 -1.735 87 HD2 PRO 12 HD2 PRO 12 -1.886 -5.084 0.221 88 HD3 PRO 12 HD3 PRO 12 -3.495 -5.462 -0.457 89 HA PRO 13 HA PRO 13 -0.973 -9.772 4.594 90 HB2 PRO 13 HB2 PRO 13 -0.301 -12.328 3.715 91 HB3 PRO 13 HB3 PRO 13 -1.837 -11.887 4.537 92 HG2 PRO 13 HG2 PRO 13 -1.333 -12.160 1.559 93 HG3 PRO 13 HG3 PRO 13 -2.718 -12.777 2.535 94 HD2 PRO 13 HD2 PRO 13 -2.930 -10.518 1.137 95 HD3 PRO 13 HD3 PRO 13 -3.655 -10.621 2.772 96 H GLY 14 H GLY 14 0.979 -9.236 4.874 97 HA2 GLY 14 HA2 GLY 14 3.357 -9.346 4.609 98 HA3 GLY 14 HA3 GLY 14 3.135 -9.647 2.882 99 H TRP 15 H TRP 15 1.116 -7.375 2.666 100 HA TRP 15 HA TRP 15 3.170 -5.324 2.259 101 HB2 TRP 15 HB2 TRP 15 0.277 -5.564 1.398 102 HB3 TRP 15 HB3 TRP 15 1.310 -4.208 1.032 103 HD1 TRP 15 HD1 TRP 15 1.062 -7.997 0.182 104 HE1 TRP 15 HE1 TRP 15 2.251 -8.385 -2.026 105 HE3 TRP 15 HE3 TRP 15 3.240 -3.430 -0.258 106 HZ2 TRP 15 HZ2 TRP 15 3.962 -6.778 -3.869 107 HZ3 TRP 15 HZ3 TRP 15 4.633 -2.865 -2.233 108 HH2 TRP 15 HH2 TRP 15 5.010 -4.566 -4.027 109 H GLU 16 H GLU 16 3.012 -3.266 3.020 110 HA GLU 16 HA GLU 16 1.077 -2.529 5.150 111 HB2 GLU 16 HB2 GLU 16 4.137 -2.483 5.131 112 HB3 GLU 16 HB3 GLU 16 3.187 -1.485 6.220 113 HG2 GLU 16 HG2 GLU 16 2.257 -4.229 6.449 114 HG3 GLU 16 HG3 GLU 16 4.015 -4.200 6.575 115 H LYS 17 H LYS 17 0.226 -0.550 4.690 116 HA LYS 17 HA LYS 17 1.309 1.089 2.508 117 HB2 LYS 17 HB2 LYS 17 -1.069 0.876 2.895 118 HB3 LYS 17 HB3 LYS 17 -0.901 1.425 4.570 119 HG2 LYS 17 HG2 LYS 17 -0.182 3.678 3.772 120 HG3 LYS 17 HG3 LYS 17 -0.410 3.160 2.093 121 HD2 LYS 17 HD2 LYS 17 -2.800 2.701 2.532 122 HD3 LYS 17 HD3 LYS 17 -2.558 3.002 4.262 123 HE2 LYS 17 HE2 LYS 17 -2.133 5.337 3.918 124 HE3 LYS 17 HE3 LYS 17 -2.198 5.123 2.147 125 HZ1 LYS 17 HZ1 LYS 17 -4.441 4.671 2.228 126 HZ2 LYS 17 HZ2 LYS 17 -4.262 5.971 3.209 127 HZ3 LYS 17 HZ3 LYS 17 -4.502 4.463 3.863 128 H ARG 18 H ARG 18 2.863 2.621 2.764 129 HA ARG 18 HA ARG 18 3.316 3.727 5.471 130 HB2 ARG 18 HB2 ARG 18 5.558 2.662 3.696 131 HB3 ARG 18 HB3 ARG 18 5.741 3.491 5.244 132 HG2 ARG 18 HG2 ARG 18 4.128 1.482 6.064 133 HG3 ARG 18 HG3 ARG 18 4.844 0.681 4.657 134 HD2 ARG 18 HD2 ARG 18 7.095 1.212 5.591 135 HD3 ARG 18 HD3 ARG 18 6.330 1.950 6.998 136 HE ARG 18 HE ARG 18 5.301 -0.177 7.579 137 HH11 ARG 18 HH11 ARG 18 8.310 -0.399 5.600 138 HH12 ARG 18 HH12 ARG 18 8.458 -2.083 5.925 139 HH21 ARG 18 HH21 ARG 18 5.569 -2.428 7.876 140 HH22 ARG 18 HH22 ARG 18 7.027 -3.181 7.284 141 H MET 19 H MET 19 5.111 5.553 5.158 142 HA MET 19 HA MET 19 4.451 7.105 2.755 143 HB2 MET 19 HB2 MET 19 3.030 7.700 4.717 144 HB3 MET 19 HB3 MET 19 4.488 8.073 5.644 145 HG2 MET 19 HG2 MET 19 5.042 9.851 4.143 146 HG3 MET 19 HG3 MET 19 3.687 9.442 3.061 147 HE1 MET 19 HE1 MET 19 1.825 12.554 4.379 148 HE2 MET 19 HE2 MET 19 3.512 12.507 3.858 149 HE3 MET 19 HE3 MET 19 2.280 11.555 2.984 150 H GLU 20 H GLU 20 6.180 8.225 1.965 151 HA GLU 20 HA GLU 20 8.817 7.318 2.634 152 HB2 GLU 20 HB2 GLU 20 7.892 9.555 0.775 153 HB3 GLU 20 HB3 GLU 20 9.530 8.901 0.905 154 HG2 GLU 20 HG2 GLU 20 8.084 6.594 0.477 155 HG3 GLU 20 HG3 GLU 20 7.113 7.752 -0.428 156 H ARG 21 H ARG 21 9.781 8.054 4.541 157 HA ARG 21 HA ARG 21 9.044 10.447 5.823 158 HB2 ARG 21 HB2 ARG 21 10.833 10.113 7.325 159 HB3 ARG 21 HB3 ARG 21 10.231 8.526 6.866 160 HG2 ARG 21 HG2 ARG 21 12.188 8.443 5.160 161 HG3 ARG 21 HG3 ARG 21 12.807 9.891 5.976 162 HD2 ARG 21 HD2 ARG 21 13.926 8.005 6.940 163 HD3 ARG 21 HD3 ARG 21 12.800 8.613 8.148 164 HE ARG 21 HE ARG 21 11.554 6.663 8.004 165 HH11 ARG 21 HH11 ARG 21 14.117 6.437 5.527 166 HH12 ARG 21 HH12 ARG 21 13.470 4.962 4.882 167 HH21 ARG 21 HH21 ARG 21 10.952 4.644 7.287 168 HH22 ARG 21 HH22 ARG 21 11.711 3.927 5.873 169 H SER 22 H SER 22 11.333 9.994 3.234 170 HA SER 22 HA SER 22 12.908 12.290 3.403 171 HB2 SER 22 HB2 SER 22 13.311 10.400 1.895 172 HB3 SER 22 HB3 SER 22 11.851 10.789 0.971 173 HG SER 22 HG SER 22 14.365 11.988 0.967 174 H SER 23 H SER 23 9.818 11.984 1.478 175 HA SER 23 HA SER 23 9.610 14.970 1.640 176 HB2 SER 23 HB2 SER 23 8.720 13.116 -0.584 177 HB3 SER 23 HB3 SER 23 8.540 14.882 -0.541 178 HG SER 23 HG SER 23 10.313 14.603 -1.643 179 H GLY 24 H GLY 24 7.764 11.910 1.817 180 HA2 GLY 24 HA2 GLY 24 5.915 11.750 3.321 181 HA3 GLY 24 HA3 GLY 24 5.474 13.416 2.966 182 H ARG 25 H ARG 25 6.139 10.415 0.969 183 HA ARG 25 HA ARG 25 3.650 10.980 -0.563 184 HB2 ARG 25 HB2 ARG 25 5.862 11.210 -1.796 185 HB3 ARG 25 HB3 ARG 25 6.169 9.521 -1.448 186 HG2 ARG 25 HG2 ARG 25 5.349 9.402 -3.554 187 HG3 ARG 25 HG3 ARG 25 3.856 9.101 -2.661 188 HD2 ARG 25 HD2 ARG 25 4.678 11.869 -3.618 189 HD3 ARG 25 HD3 ARG 25 3.881 10.713 -4.700 190 HE ARG 25 HE ARG 25 2.208 10.737 -2.542 191 HH11 ARG 25 HH11 ARG 25 3.309 13.132 -4.937 192 HH12 ARG 25 HH12 ARG 25 2.033 14.240 -4.587 193 HH21 ARG 25 HH21 ARG 25 0.486 12.071 -2.216 194 HH22 ARG 25 HH22 ARG 25 0.271 13.533 -3.143 195 H VAL 26 H VAL 26 2.193 9.262 -0.495 196 HA VAL 26 HA VAL 26 2.830 7.116 1.406 197 HB VAL 26 HB VAL 26 0.218 7.560 -0.067 198 HG11 VAL 26 HG11 VAL 26 0.463 5.342 1.062 199 HG12 VAL 26 HG12 VAL 26 0.903 6.171 2.587 200 HG13 VAL 26 HG13 VAL 26 -0.708 6.369 1.878 201 HG21 VAL 26 HG21 VAL 26 1.172 8.679 2.609 202 HG22 VAL 26 HG22 VAL 26 0.749 9.621 1.169 203 HG23 VAL 26 HG23 VAL 26 -0.504 8.723 2.029 204 H TYR 27 H TYR 27 2.814 4.861 0.883 205 HA TYR 27 HA TYR 27 2.652 3.939 -1.845 206 HB2 TYR 27 HB2 TYR 27 4.926 3.368 -2.222 207 HB3 TYR 27 HB3 TYR 27 4.940 5.034 -1.713 208 HD1 TYR 27 HD2 TYR 27 5.457 5.599 0.764 209 HD2 TYR 27 HD1 TYR 27 6.324 1.822 -1.095 210 HE1 TYR 27 HE2 TYR 27 7.073 5.113 2.546 211 HE2 TYR 27 HE1 TYR 27 7.909 1.278 0.733 212 HH TYR 27 HH TYR 27 8.614 3.613 3.375 213 H TYR 28 H TYR 28 3.641 1.462 -1.661 214 HA TYR 28 HA TYR 28 2.663 0.329 0.928 215 HB2 TYR 28 HB2 TYR 28 2.435 -0.910 -1.832 216 HB3 TYR 28 HB3 TYR 28 1.807 -1.548 -0.327 217 HD1 TYR 28 HD1 TYR 28 0.180 0.176 0.999 218 HD2 TYR 28 HD2 TYR 28 0.941 0.237 -3.228 219 HE1 TYR 28 HE1 TYR 28 -1.932 1.426 0.656 220 HE2 TYR 28 HE2 TYR 28 -1.200 1.398 -3.609 221 HH TYR 28 HH TYR 28 -2.904 2.596 -2.576 222 H PHE 29 H PHE 29 3.904 -1.364 1.800 223 HA PHE 29 HA PHE 29 6.492 -1.991 0.433 224 HB2 PHE 29 HB2 PHE 29 6.796 -0.266 2.197 225 HB3 PHE 29 HB3 PHE 29 6.056 -1.342 3.373 226 HD1 PHE 29 HD2 PHE 29 7.207 -3.615 3.890 227 HD2 PHE 29 HD1 PHE 29 9.123 -0.466 1.612 228 HE1 PHE 29 HE2 PHE 29 9.412 -4.663 4.238 229 HE2 PHE 29 HE1 PHE 29 11.317 -1.568 1.997 230 HZ PHE 29 HZ PHE 29 11.459 -3.630 3.314 231 H ASN 30 H ASN 30 6.831 -4.088 0.308 232 HA ASN 30 HA ASN 30 5.082 -5.992 1.801 233 HB2 ASN 30 HB2 ASN 30 5.341 -6.129 -0.688 234 HB3 ASN 30 HB3 ASN 30 7.001 -6.645 -0.443 235 HD21 ASN 30 HD21 ASN 30 5.478 -8.514 -1.760 236 HD22 ASN 30 HD22 ASN 30 4.964 -9.774 -0.654 237 H HIS 31 H HIS 31 5.968 -6.551 3.786 238 HA HIS 31 HA HIS 31 8.847 -6.567 4.211 239 HB2 HIS 31 HB2 HIS 31 8.356 -7.263 6.433 240 HB3 HIS 31 HB3 HIS 31 7.161 -6.056 5.970 241 HD1 HIS 31 HD1 HIS 31 7.333 -9.954 6.429 242 HD2 HIS 31 HD2 HIS 31 4.677 -6.680 6.200 243 HE1 HIS 31 HE1 HIS 31 5.079 -10.812 7.174 244 H ILE 32 H ILE 32 6.717 -8.896 2.921 245 HA ILE 32 HA ILE 32 8.095 -11.275 3.802 246 HB ILE 32 HB ILE 32 6.245 -10.776 1.438 247 HG12 ILE 32 HG12 ILE 32 5.859 -11.940 4.223 248 HG13 ILE 32 HG13 ILE 32 5.214 -10.419 3.635 249 HG21 ILE 32 HG21 ILE 32 7.306 -13.427 2.463 250 HG22 ILE 32 HG22 ILE 32 6.012 -13.210 1.266 251 HG23 ILE 32 HG23 ILE 32 7.605 -12.652 0.874 252 HD11 ILE 32 HD11 ILE 32 3.803 -11.724 1.995 253 HD12 ILE 32 HD12 ILE 32 4.350 -13.219 2.807 254 HD13 ILE 32 HD13 ILE 32 3.424 -12.013 3.706 255 H THR 33 H THR 33 8.424 -9.170 0.950 256 HA THR 33 HA THR 33 10.985 -10.617 0.368 257 HB THR 33 HB THR 33 9.164 -11.364 -1.071 258 HG1 THR 33 HG1 THR 33 10.368 -11.511 -2.758 259 HG21 THR 33 HG21 THR 33 8.310 -10.011 -2.863 260 HG22 THR 33 HG22 THR 33 9.282 -8.630 -2.315 261 HG23 THR 33 HG23 THR 33 7.936 -9.223 -1.326 262 H ASN 34 H ASN 34 9.969 -7.880 1.697 263 HA ASN 34 HA ASN 34 10.873 -5.835 1.993 264 HB2 ASN 34 HB2 ASN 34 12.913 -7.130 2.427 265 HB3 ASN 34 HB3 ASN 34 13.386 -7.041 0.752 266 HD21 ASN 34 HD21 ASN 34 13.369 -5.349 3.822 267 HD22 ASN 34 HD22 ASN 34 14.135 -3.881 3.209 268 H ALA 35 H ALA 35 9.314 -6.480 -0.363 269 HA ALA 35 HA ALA 35 10.367 -4.752 -2.535 270 HB1 ALA 35 HB1 ALA 35 9.392 -6.773 -3.356 271 HB2 ALA 35 HB2 ALA 35 7.949 -6.610 -2.342 272 HB3 ALA 35 HB3 ALA 35 8.216 -5.516 -3.702 273 H SER 36 H SER 36 8.414 -3.344 -3.504 274 HA SER 36 HA SER 36 6.654 -2.146 -1.642 275 HB2 SER 36 HB2 SER 36 7.762 -0.025 -1.488 276 HB3 SER 36 HB3 SER 36 8.943 -1.276 -1.118 277 HG SER 36 HG SER 36 9.934 0.147 -2.542 278 H GLN 37 H GLN 37 5.213 -0.659 -2.792 279 HA GLN 37 HA GLN 37 5.776 -0.087 -5.544 280 HB2 GLN 37 HB2 GLN 37 3.684 -2.159 -4.693 281 HB3 GLN 37 HB3 GLN 37 3.409 -1.169 -6.124 282 HG2 GLN 37 HG2 GLN 37 5.712 -2.028 -6.945 283 HG3 GLN 37 HG3 GLN 37 5.536 -3.279 -5.713 284 HE21 GLN 37 HE21 GLN 37 4.787 -2.453 -8.914 285 HE22 GLN 37 HE22 GLN 37 3.313 -3.369 -9.128 286 H TRP 38 H TRP 38 3.996 1.262 -6.463 287 HA TRP 38 HA TRP 38 2.728 2.944 -4.380 288 HB2 TRP 38 HB2 TRP 38 2.843 3.411 -7.381 289 HB3 TRP 38 HB3 TRP 38 2.461 4.572 -6.102 290 HD1 TRP 38 HD1 TRP 38 5.344 2.808 -7.784 291 HE1 TRP 38 HE1 TRP 38 7.565 3.887 -7.087 292 HE3 TRP 38 HE3 TRP 38 3.651 5.856 -4.026 293 HZ2 TRP 38 HZ2 TRP 38 8.483 5.907 -5.246 294 HZ3 TRP 38 HZ3 TRP 38 5.245 7.237 -2.745 295 HH2 TRP 38 HH2 TRP 38 7.643 7.352 -3.401 296 H GLU 39 H GLU 39 1.956 0.717 -7.019 297 HA GLU 39 HA GLU 39 -0.886 1.295 -7.090 298 HB2 GLU 39 HB2 GLU 39 -0.879 -0.715 -8.583 299 HB3 GLU 39 HB3 GLU 39 0.224 0.570 -9.073 300 HG2 GLU 39 HG2 GLU 39 2.156 -0.684 -8.176 301 HG3 GLU 39 HG3 GLU 39 1.076 -1.942 -7.572 302 H ARG 40 H ARG 40 -2.515 -0.171 -6.423 303 HA ARG 40 HA ARG 40 -2.180 -1.267 -3.839 304 HB2 ARG 40 HB2 ARG 40 -4.304 -1.431 -5.968 305 HB3 ARG 40 HB3 ARG 40 -4.334 -2.624 -4.672 306 HG2 ARG 40 HG2 ARG 40 -4.477 -0.911 -2.962 307 HG3 ARG 40 HG3 ARG 40 -4.302 0.363 -4.169 308 HD2 ARG 40 HD2 ARG 40 -6.708 -0.008 -3.546 309 HD3 ARG 40 HD3 ARG 40 -6.386 -0.321 -5.249 310 HE ARG 40 HE ARG 40 -6.416 -2.531 -3.251 311 HH11 ARG 40 HH11 ARG 40 -8.035 -1.073 -6.112 312 HH12 ARG 40 HH12 ARG 40 -8.705 -2.596 -6.600 313 HH21 ARG 40 HH21 ARG 40 -7.554 -4.444 -3.873 314 HH22 ARG 40 HH22 ARG 40 -8.321 -4.504 -5.458 315 HA PRO 41 HA PRO 41 -0.208 -5.099 -5.305 316 HB2 PRO 41 HB2 PRO 41 0.288 -6.201 -2.845 317 HB3 PRO 41 HB3 PRO 41 1.284 -4.936 -3.625 318 HG2 PRO 41 HG2 PRO 41 -0.839 -4.656 -1.524 319 HG3 PRO 41 HG3 PRO 41 0.737 -3.825 -1.579 320 HD2 PRO 41 HD2 PRO 41 -1.617 -2.655 -2.368 321 HD3 PRO 41 HD3 PRO 41 -0.035 -2.265 -3.108 322 H SER 42 H SER 42 -0.623 -7.460 -4.764 323 HA SER 42 HA SER 42 -3.305 -8.075 -3.763 324 HB2 SER 42 HB2 SER 42 -3.461 -7.349 -6.197 325 HB3 SER 42 HB3 SER 42 -2.410 -8.691 -6.636 326 HG SER 42 HG SER 42 -4.000 -10.102 -6.009 327 H GLY 43 H GLY 43 -1.783 -8.949 -2.178 328 HA2 GLY 43 HA2 GLY 43 -0.554 -10.599 -1.129 329 HA3 GLY 43 HA3 GLY 43 -1.436 -11.707 -2.199 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -17.990 13.050 -4.810 2 HA2 GLY 1 HA2 GLY 1 -16.267 11.658 -6.001 3 HA3 GLY 1 HA3 GLY 1 -15.280 11.894 -4.542 4 H LEU 2 H LEU 2 -15.438 9.427 -4.480 5 HA LEU 2 HA LEU 2 -17.860 8.045 -4.157 6 HB2 LEU 2 HB2 LEU 2 -15.042 7.490 -3.118 7 HB3 LEU 2 HB3 LEU 2 -16.365 6.398 -2.811 8 HG LEU 2 HG LEU 2 -15.070 5.543 -4.592 9 HD11 LEU 2 HD11 LEU 2 -16.762 5.120 -6.250 10 HD12 LEU 2 HD12 LEU 2 -17.660 6.578 -5.805 11 HD13 LEU 2 HD13 LEU 2 -17.543 5.206 -4.673 12 HD21 LEU 2 HD21 LEU 2 -15.676 8.000 -6.278 13 HD22 LEU 2 HD22 LEU 2 -14.695 6.595 -6.711 14 HD23 LEU 2 HD23 LEU 2 -14.130 7.689 -5.442 15 H GLU 3 H GLU 3 -18.849 7.126 -2.356 16 HA GLU 3 HA GLU 3 -18.379 8.385 0.297 17 HB2 GLU 3 HB2 GLU 3 -20.689 8.769 0.663 18 HB3 GLU 3 HB3 GLU 3 -20.239 9.608 -0.812 19 HG2 GLU 3 HG2 GLU 3 -21.421 8.082 -2.196 20 HG3 GLU 3 HG3 GLU 3 -21.485 6.833 -0.950 21 H HIS 4 H HIS 4 -18.240 5.599 -1.342 22 HA HIS 4 HA HIS 4 -19.433 3.892 0.790 23 HB2 HIS 4 HB2 HIS 4 -18.770 3.271 -2.122 24 HB3 HIS 4 HB3 HIS 4 -19.449 2.147 -0.954 25 HD1 HIS 4 HD1 HIS 4 -20.517 4.888 -3.372 26 HD2 HIS 4 HD2 HIS 4 -22.044 2.685 -0.099 27 HE1 HIS 4 HE1 HIS 4 -23.035 5.102 -3.482 28 H MET 5 H MET 5 -18.024 2.439 1.769 29 HA MET 5 HA MET 5 -15.194 3.067 1.571 30 HB2 MET 5 HB2 MET 5 -16.670 0.855 3.062 31 HB3 MET 5 HB3 MET 5 -14.940 1.207 3.226 32 HG2 MET 5 HG2 MET 5 -17.202 3.133 3.885 33 HG3 MET 5 HG3 MET 5 -16.223 2.237 5.048 34 HE1 MET 5 HE1 MET 5 -16.720 5.558 4.879 35 HE2 MET 5 HE2 MET 5 -15.983 4.650 6.215 36 HE3 MET 5 HE3 MET 5 -15.129 6.025 5.496 37 H ALA 6 H ALA 6 -13.557 1.166 1.265 38 HA ALA 6 HA ALA 6 -14.429 -0.564 -1.006 39 HB1 ALA 6 HB1 ALA 6 -12.328 0.006 -2.123 40 HB2 ALA 6 HB2 ALA 6 -13.264 1.466 -1.818 41 HB3 ALA 6 HB3 ALA 6 -11.869 1.082 -0.791 42 H ASP 7 H ASP 7 -13.802 -2.683 -0.769 43 HA ASP 7 HA ASP 7 -12.340 -3.423 1.667 44 HB2 ASP 7 HB2 ASP 7 -12.817 -5.716 1.126 45 HB3 ASP 7 HB3 ASP 7 -14.292 -4.749 1.106 46 H GLU 8 H GLU 8 -11.881 -3.168 -1.754 47 HA GLU 8 HA GLU 8 -9.448 -4.494 -2.128 48 HB2 GLU 8 HB2 GLU 8 -9.425 -3.131 -4.182 49 HB3 GLU 8 HB3 GLU 8 -10.983 -3.904 -3.899 50 HG2 GLU 8 HG2 GLU 8 -12.007 -1.863 -3.273 51 HG3 GLU 8 HG3 GLU 8 -10.447 -1.028 -3.096 52 H GLU 9 H GLU 9 -9.967 -1.927 -0.145 53 HA GLU 9 HA GLU 9 -7.489 -0.436 -0.569 54 HB2 GLU 9 HB2 GLU 9 -9.682 0.561 0.089 55 HB3 GLU 9 HB3 GLU 9 -9.585 -0.301 1.630 56 HG2 GLU 9 HG2 GLU 9 -8.951 2.113 1.683 57 HG3 GLU 9 HG3 GLU 9 -7.747 1.025 2.350 58 H LYS 10 H LYS 10 -8.478 -3.347 1.127 59 HA LYS 10 HA LYS 10 -6.361 -3.188 3.166 60 HB2 LYS 10 HB2 LYS 10 -8.482 -5.272 2.436 61 HB3 LYS 10 HB3 LYS 10 -7.153 -5.602 3.527 62 HG2 LYS 10 HG2 LYS 10 -8.499 -4.956 5.138 63 HG3 LYS 10 HG3 LYS 10 -8.037 -3.335 4.690 64 HD2 LYS 10 HD2 LYS 10 -10.495 -4.696 3.532 65 HD3 LYS 10 HD3 LYS 10 -10.529 -3.902 5.095 66 HE2 LYS 10 HE2 LYS 10 -9.907 -2.554 2.436 67 HE3 LYS 10 HE3 LYS 10 -11.410 -2.442 3.362 68 HZ1 LYS 10 HZ1 LYS 10 -10.206 -0.529 3.876 69 HZ2 LYS 10 HZ2 LYS 10 -8.781 -1.315 4.136 70 HZ3 LYS 10 HZ3 LYS 10 -10.006 -1.465 5.194 71 H LEU 11 H LEU 11 -4.319 -3.466 2.444 72 HA LEU 11 HA LEU 11 -3.597 -4.683 0.021 73 HB2 LEU 11 HB2 LEU 11 -2.177 -3.822 2.562 74 HB3 LEU 11 HB3 LEU 11 -1.254 -4.716 1.397 75 HG LEU 11 HG LEU 11 -1.019 -2.280 1.140 76 HD11 LEU 11 HD11 LEU 11 -2.343 -3.616 -1.259 77 HD12 LEU 11 HD12 LEU 11 -0.616 -3.637 -0.805 78 HD13 LEU 11 HD13 LEU 11 -1.412 -2.147 -1.320 79 HD21 LEU 11 HD21 LEU 11 -2.850 -0.864 0.319 80 HD22 LEU 11 HD22 LEU 11 -3.345 -1.622 1.823 81 HD23 LEU 11 HD23 LEU 11 -3.939 -2.203 0.241 82 HA PRO 12 HA PRO 12 -3.431 -9.028 0.759 83 HB2 PRO 12 HB2 PRO 12 -1.027 -9.683 -0.512 84 HB3 PRO 12 HB3 PRO 12 -2.612 -9.466 -1.343 85 HG2 PRO 12 HG2 PRO 12 -0.245 -7.647 -1.084 86 HG3 PRO 12 HG3 PRO 12 -1.373 -7.798 -2.465 87 HD2 PRO 12 HD2 PRO 12 -1.424 -5.770 -0.604 88 HD3 PRO 12 HD3 PRO 12 -2.871 -6.304 -1.494 89 HA PRO 13 HA PRO 13 -0.697 -10.197 3.990 90 HB2 PRO 13 HB2 PRO 13 0.329 -12.683 3.276 91 HB3 PRO 13 HB3 PRO 13 -1.331 -12.410 3.895 92 HG2 PRO 13 HG2 PRO 13 -0.428 -12.581 0.999 93 HG3 PRO 13 HG3 PRO 13 -1.814 -13.415 1.764 94 HD2 PRO 13 HD2 PRO 13 -2.247 -11.222 0.395 95 HD3 PRO 13 HD3 PRO 13 -3.060 -11.400 1.956 96 H GLY 14 H GLY 14 1.255 -9.896 4.491 97 HA2 GLY 14 HA2 GLY 14 3.582 -9.553 4.518 98 HA3 GLY 14 HA3 GLY 14 3.640 -9.959 2.807 99 H TRP 15 H TRP 15 1.586 -7.924 2.033 100 HA TRP 15 HA TRP 15 3.474 -5.697 1.850 101 HB2 TRP 15 HB2 TRP 15 0.742 -6.150 0.642 102 HB3 TRP 15 HB3 TRP 15 1.700 -4.713 0.396 103 HD1 TRP 15 HD1 TRP 15 1.828 -8.486 -0.447 104 HE1 TRP 15 HE1 TRP 15 3.473 -8.836 -2.362 105 HE3 TRP 15 HE3 TRP 15 3.703 -3.765 -0.722 106 HZ2 TRP 15 HZ2 TRP 15 5.395 -7.242 -3.855 107 HZ3 TRP 15 HZ3 TRP 15 5.389 -3.170 -2.440 108 HH2 TRP 15 HH2 TRP 15 6.287 -4.912 -3.989 109 H GLU 16 H GLU 16 3.068 -3.594 2.500 110 HA GLU 16 HA GLU 16 0.865 -3.023 4.429 111 HB2 GLU 16 HB2 GLU 16 3.894 -2.788 4.735 112 HB3 GLU 16 HB3 GLU 16 2.800 -1.767 5.663 113 HG2 GLU 16 HG2 GLU 16 2.229 -4.720 5.734 114 HG3 GLU 16 HG3 GLU 16 3.699 -4.158 6.544 115 H LYS 17 H LYS 17 -0.083 -1.124 3.833 116 HA LYS 17 HA LYS 17 1.144 0.558 1.748 117 HB2 LYS 17 HB2 LYS 17 -1.249 0.113 1.772 118 HB3 LYS 17 HB3 LYS 17 -1.405 0.785 3.412 119 HG2 LYS 17 HG2 LYS 17 -0.637 3.022 2.537 120 HG3 LYS 17 HG3 LYS 17 -0.580 2.336 0.908 121 HD2 LYS 17 HD2 LYS 17 -3.024 1.691 1.199 122 HD3 LYS 17 HD3 LYS 17 -3.013 2.539 2.753 123 HE2 LYS 17 HE2 LYS 17 -2.430 4.629 1.679 124 HE3 LYS 17 HE3 LYS 17 -2.288 3.820 0.104 125 HZ1 LYS 17 HZ1 LYS 17 -4.808 4.154 1.656 126 HZ2 LYS 17 HZ2 LYS 17 -4.692 3.195 0.372 127 HZ3 LYS 17 HZ3 LYS 17 -4.457 4.818 0.201 128 H ARG 18 H ARG 18 2.551 2.179 2.253 129 HA ARG 18 HA ARG 18 2.306 3.386 4.937 130 HB2 ARG 18 HB2 ARG 18 4.966 2.544 3.677 131 HB3 ARG 18 HB3 ARG 18 4.748 3.329 5.245 132 HG2 ARG 18 HG2 ARG 18 3.183 1.131 5.625 133 HG3 ARG 18 HG3 ARG 18 4.333 0.466 4.471 134 HD2 ARG 18 HD2 ARG 18 6.179 1.054 5.943 135 HD3 ARG 18 HD3 ARG 18 5.102 1.942 7.023 136 HE ARG 18 HE ARG 18 3.903 -0.449 7.051 137 HH11 ARG 18 HH11 ARG 18 7.170 0.623 7.956 138 HH12 ARG 18 HH12 ARG 18 7.318 -0.538 9.231 139 HH21 ARG 18 HH21 ARG 18 4.198 -2.153 8.537 140 HH22 ARG 18 HH22 ARG 18 5.606 -2.195 9.525 141 H MET 19 H MET 19 4.139 5.272 4.938 142 HA MET 19 HA MET 19 3.820 6.809 2.457 143 HB2 MET 19 HB2 MET 19 1.983 7.458 3.994 144 HB3 MET 19 HB3 MET 19 3.167 7.776 5.275 145 HG2 MET 19 HG2 MET 19 4.149 9.573 3.975 146 HG3 MET 19 HG3 MET 19 3.074 9.230 2.603 147 HE1 MET 19 HE1 MET 19 3.260 12.268 3.818 148 HE2 MET 19 HE2 MET 19 2.276 11.729 2.428 149 HE3 MET 19 HE3 MET 19 1.537 12.650 3.742 150 H GLU 20 H GLU 20 5.640 7.883 1.979 151 HA GLU 20 HA GLU 20 8.098 7.154 3.231 152 HB2 GLU 20 HB2 GLU 20 7.404 9.216 1.099 153 HB3 GLU 20 HB3 GLU 20 9.049 8.799 1.598 154 HG2 GLU 20 HG2 GLU 20 8.536 6.399 0.981 155 HG3 GLU 20 HG3 GLU 20 7.034 6.966 0.255 156 H ARG 21 H ARG 21 8.580 8.031 5.316 157 HA ARG 21 HA ARG 21 7.608 10.639 6.061 158 HB2 ARG 21 HB2 ARG 21 8.210 8.971 7.704 159 HB3 ARG 21 HB3 ARG 21 9.910 9.002 7.203 160 HG2 ARG 21 HG2 ARG 21 10.228 11.215 8.057 161 HG3 ARG 21 HG3 ARG 21 8.503 11.494 8.208 162 HD2 ARG 21 HD2 ARG 21 9.873 9.266 9.769 163 HD3 ARG 21 HD3 ARG 21 9.860 10.924 10.374 164 HE ARG 21 HE ARG 21 7.672 9.065 10.337 165 HH11 ARG 21 HH11 ARG 21 8.513 12.522 10.667 166 HH12 ARG 21 HH12 ARG 21 6.903 13.011 11.031 167 HH21 ARG 21 HH21 ARG 21 5.538 9.766 10.449 168 HH22 ARG 21 HH22 ARG 21 5.146 11.347 11.067 169 H SER 22 H SER 22 10.314 9.614 4.140 170 HA SER 22 HA SER 22 12.110 11.695 4.322 171 HB2 SER 22 HB2 SER 22 11.276 10.207 1.791 172 HB3 SER 22 HB3 SER 22 12.810 11.015 2.097 173 HG SER 22 HG SER 22 13.227 9.005 2.477 174 H SER 23 H SER 23 9.279 11.458 2.088 175 HA SER 23 HA SER 23 9.456 14.407 1.653 176 HB2 SER 23 HB2 SER 23 9.050 12.274 -0.477 177 HB3 SER 23 HB3 SER 23 9.092 14.023 -0.730 178 HG SER 23 HG SER 23 11.243 14.012 0.088 179 H GLY 24 H GLY 24 7.363 11.592 2.085 180 HA2 GLY 24 HA2 GLY 24 5.249 11.761 2.980 181 HA3 GLY 24 HA3 GLY 24 5.057 13.393 2.341 182 H ARG 25 H ARG 25 5.850 10.126 0.833 183 HA ARG 25 HA ARG 25 3.561 10.621 -0.999 184 HB2 ARG 25 HB2 ARG 25 6.014 10.893 -1.874 185 HB3 ARG 25 HB3 ARG 25 6.112 9.148 -1.711 186 HG2 ARG 25 HG2 ARG 25 5.580 9.648 -3.975 187 HG3 ARG 25 HG3 ARG 25 4.156 8.890 -3.265 188 HD2 ARG 25 HD2 ARG 25 2.967 11.001 -3.202 189 HD3 ARG 25 HD3 ARG 25 4.452 11.905 -3.504 190 HE ARG 25 HE ARG 25 4.461 11.373 -5.719 191 HH11 ARG 25 HH11 ARG 25 1.629 9.729 -4.281 192 HH12 ARG 25 HH12 ARG 25 0.686 9.799 -5.711 193 HH21 ARG 25 HH21 ARG 25 3.366 11.070 -7.717 194 HH22 ARG 25 HH22 ARG 25 1.833 10.256 -7.745 195 H VAL 26 H VAL 26 2.165 8.849 -1.133 196 HA VAL 26 HA VAL 26 2.520 6.772 0.894 197 HB VAL 26 HB VAL 26 0.355 6.860 -1.193 198 HG11 VAL 26 HG11 VAL 26 0.324 5.853 1.677 199 HG12 VAL 26 HG12 VAL 26 -1.024 5.816 0.520 200 HG13 VAL 26 HG13 VAL 26 0.412 4.827 0.228 201 HG21 VAL 26 HG21 VAL 26 -0.996 8.164 0.473 202 HG22 VAL 26 HG22 VAL 26 0.508 8.430 1.401 203 HG23 VAL 26 HG23 VAL 26 0.305 9.099 -0.241 204 H TYR 27 H TYR 27 2.649 4.452 0.366 205 HA TYR 27 HA TYR 27 3.075 3.571 -2.332 206 HB2 TYR 27 HB2 TYR 27 5.394 3.054 -2.226 207 HB3 TYR 27 HB3 TYR 27 5.274 4.744 -1.827 208 HD1 TYR 27 HD2 TYR 27 5.272 5.375 0.752 209 HD2 TYR 27 HD1 TYR 27 6.631 1.613 -0.849 210 HE1 TYR 27 HE2 TYR 27 6.615 4.968 2.812 211 HE2 TYR 27 HE1 TYR 27 7.935 1.210 1.197 212 HH TYR 27 HH TYR 27 8.424 3.679 3.676 213 H TYR 28 H TYR 28 4.084 1.157 -2.022 214 HA TYR 28 HA TYR 28 2.761 -0.086 0.356 215 HB2 TYR 28 HB2 TYR 28 3.114 -1.166 -2.450 216 HB3 TYR 28 HB3 TYR 28 2.326 -1.987 -1.102 217 HD1 TYR 28 HD1 TYR 28 0.400 -0.504 0.064 218 HD2 TYR 28 HD2 TYR 28 1.657 -0.186 -4.034 219 HE1 TYR 28 HE1 TYR 28 -1.728 0.608 -0.469 220 HE2 TYR 28 HE2 TYR 28 -0.509 0.906 -4.605 221 HH TYR 28 HH TYR 28 -3.086 1.443 -2.207 222 H PHE 29 H PHE 29 3.996 -1.705 1.422 223 HA PHE 29 HA PHE 29 6.774 -2.171 0.403 224 HB2 PHE 29 HB2 PHE 29 6.679 -0.380 2.165 225 HB3 PHE 29 HB3 PHE 29 5.987 -1.554 3.270 226 HD1 PHE 29 HD1 PHE 29 9.059 -0.507 1.467 227 HD2 PHE 29 HD2 PHE 29 7.355 -3.497 4.085 228 HE1 PHE 29 HE1 PHE 29 11.309 -1.331 1.975 229 HE2 PHE 29 HE2 PHE 29 9.633 -4.374 4.520 230 HZ PHE 29 HZ PHE 29 11.602 -3.239 3.521 231 H ASN 30 H ASN 30 7.314 -4.301 0.431 232 HA ASN 30 HA ASN 30 5.453 -6.207 1.788 233 HB2 ASN 30 HB2 ASN 30 6.052 -6.420 -0.676 234 HB3 ASN 30 HB3 ASN 30 7.645 -6.926 -0.174 235 HD21 ASN 30 HD21 ASN 30 6.073 -8.835 -1.586 236 HD22 ASN 30 HD22 ASN 30 5.575 -10.047 -0.432 237 H HIS 31 H HIS 31 6.130 -6.648 3.910 238 HA HIS 31 HA HIS 31 8.949 -6.480 4.580 239 HB2 HIS 31 HB2 HIS 31 8.341 -7.058 6.776 240 HB3 HIS 31 HB3 HIS 31 7.087 -5.982 6.159 241 HD1 HIS 31 HD1 HIS 31 7.631 -9.694 7.085 242 HD2 HIS 31 HD2 HIS 31 4.626 -6.913 6.114 243 HE1 HIS 31 HE1 HIS 31 5.409 -10.899 7.409 244 H ILE 32 H ILE 32 7.129 -8.986 3.081 245 HA ILE 32 HA ILE 32 8.533 -11.258 4.218 246 HB ILE 32 HB ILE 32 6.985 -10.846 1.635 247 HG12 ILE 32 HG12 ILE 32 6.336 -12.209 4.301 248 HG13 ILE 32 HG13 ILE 32 5.688 -10.682 3.731 249 HG21 ILE 32 HG21 ILE 32 8.162 -13.453 2.608 250 HG22 ILE 32 HG22 ILE 32 6.926 -13.308 1.337 251 HG23 ILE 32 HG23 ILE 32 8.498 -12.601 1.094 252 HD11 ILE 32 HD11 ILE 32 4.584 -11.897 1.824 253 HD12 ILE 32 HD12 ILE 32 5.085 -13.427 2.582 254 HD13 ILE 32 HD13 ILE 32 3.991 -12.340 3.440 255 H THR 33 H THR 33 9.123 -9.119 1.463 256 HA THR 33 HA THR 33 11.793 -10.438 1.065 257 HB THR 33 HB THR 33 10.264 -11.110 -0.653 258 HG1 THR 33 HG1 THR 33 11.856 -10.963 -1.827 259 HG21 THR 33 HG21 THR 33 9.594 -8.196 -0.936 260 HG22 THR 33 HG22 THR 33 8.520 -9.580 -0.703 261 HG23 THR 33 HG23 THR 33 9.313 -9.355 -2.264 262 H ASN 34 H ASN 34 10.413 -7.717 2.309 263 HA ASN 34 HA ASN 34 11.107 -5.642 2.746 264 HB2 ASN 34 HB2 ASN 34 13.193 -7.034 3.381 265 HB3 ASN 34 HB3 ASN 34 13.922 -6.404 1.908 266 HD21 ASN 34 HD21 ASN 34 14.331 -4.038 1.823 267 HD22 ASN 34 HD22 ASN 34 14.638 -3.302 3.407 268 H ALA 35 H ALA 35 9.927 -6.167 0.314 269 HA ALA 35 HA ALA 35 11.285 -4.530 -1.774 270 HB1 ALA 35 HB1 ALA 35 9.667 -5.485 -3.338 271 HB2 ALA 35 HB2 ALA 35 10.476 -6.798 -2.483 272 HB3 ALA 35 HB3 ALA 35 8.815 -6.317 -2.034 273 H SER 36 H SER 36 9.409 -3.344 -3.082 274 HA SER 36 HA SER 36 7.215 -2.349 -1.598 275 HB2 SER 36 HB2 SER 36 8.023 -0.426 -0.720 276 HB3 SER 36 HB3 SER 36 9.612 -1.111 -0.948 277 HG SER 36 HG SER 36 9.649 -0.089 -3.021 278 H GLN 37 H GLN 37 6.007 -0.698 -2.939 279 HA GLN 37 HA GLN 37 6.767 -0.290 -5.655 280 HB2 GLN 37 HB2 GLN 37 5.267 -2.723 -5.032 281 HB3 GLN 37 HB3 GLN 37 4.226 -1.621 -5.931 282 HG2 GLN 37 HG2 GLN 37 7.007 -2.371 -6.880 283 HG3 GLN 37 HG3 GLN 37 5.566 -3.315 -7.269 284 HE21 GLN 37 HE21 GLN 37 7.071 -2.265 -9.312 285 HE22 GLN 37 HE22 GLN 37 6.078 -1.055 -10.140 286 H TRP 38 H TRP 38 4.774 0.730 -6.776 287 HA TRP 38 HA TRP 38 3.395 2.570 -4.891 288 HB2 TRP 38 HB2 TRP 38 3.979 3.039 -7.826 289 HB3 TRP 38 HB3 TRP 38 3.393 4.191 -6.618 290 HD1 TRP 38 HD1 TRP 38 6.537 2.258 -7.611 291 HE1 TRP 38 HE1 TRP 38 8.625 3.453 -6.704 292 HE3 TRP 38 HE3 TRP 38 4.237 5.656 -4.564 293 HZ2 TRP 38 HZ2 TRP 38 9.211 5.609 -4.836 294 HZ3 TRP 38 HZ3 TRP 38 5.586 7.121 -3.104 295 HH2 TRP 38 HH2 TRP 38 8.047 7.169 -3.303 296 H GLU 39 H GLU 39 3.051 0.231 -7.528 297 HA GLU 39 HA GLU 39 0.161 0.739 -7.851 298 HB2 GLU 39 HB2 GLU 39 2.160 -1.101 -9.240 299 HB3 GLU 39 HB3 GLU 39 0.435 -1.014 -9.622 300 HG2 GLU 39 HG2 GLU 39 0.629 1.377 -10.155 301 HG3 GLU 39 HG3 GLU 39 2.334 1.378 -9.735 302 H ARG 40 H ARG 40 -1.399 -0.912 -7.290 303 HA ARG 40 HA ARG 40 -0.975 -2.118 -4.877 304 HB2 ARG 40 HB2 ARG 40 -2.995 -2.463 -7.066 305 HB3 ARG 40 HB3 ARG 40 -3.031 -3.571 -5.683 306 HG2 ARG 40 HG2 ARG 40 -3.171 -1.736 -4.099 307 HG3 ARG 40 HG3 ARG 40 -3.043 -0.530 -5.382 308 HD2 ARG 40 HD2 ARG 40 -5.213 -2.653 -5.229 309 HD3 ARG 40 HD3 ARG 40 -5.364 -1.014 -4.565 310 HE ARG 40 HE ARG 40 -4.635 -0.723 -7.230 311 HH11 ARG 40 HH11 ARG 40 -7.364 -2.028 -5.356 312 HH12 ARG 40 HH12 ARG 40 -8.598 -1.158 -6.200 313 HH21 ARG 40 HH21 ARG 40 -6.289 -0.088 -8.747 314 HH22 ARG 40 HH22 ARG 40 -7.972 -0.191 -8.328 315 HA PRO 41 HA PRO 41 1.133 -5.919 -6.031 316 HB2 PRO 41 HB2 PRO 41 1.441 -6.945 -3.510 317 HB3 PRO 41 HB3 PRO 41 2.359 -5.514 -4.087 318 HG2 PRO 41 HG2 PRO 41 -0.038 -5.638 -2.289 319 HG3 PRO 41 HG3 PRO 41 1.343 -4.517 -2.208 320 HD2 PRO 41 HD2 PRO 41 -1.177 -3.982 -3.350 321 HD3 PRO 41 HD3 PRO 41 0.328 -3.054 -3.594 322 H SER 42 H SER 42 0.886 -8.331 -5.054 323 HA SER 42 HA SER 42 -1.801 -9.157 -4.479 324 HB2 SER 42 HB2 SER 42 -1.799 -9.119 -6.926 325 HB3 SER 42 HB3 SER 42 -0.248 -9.976 -6.968 326 HG SER 42 HG SER 42 -2.389 -11.153 -7.217 327 H GLY 43 H GLY 43 -1.587 -10.699 -3.062 328 HA2 GLY 43 HA2 GLY 43 0.835 -12.328 -2.663 329 HA3 GLY 43 HA3 GLY 43 0.220 -11.369 -1.290 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -28.297 4.056 0.441 2 HA2 GLY 1 HA2 GLY 1 -27.607 6.276 1.296 3 HA3 GLY 1 HA3 GLY 1 -26.503 4.972 1.810 4 H LEU 2 H LEU 2 -25.742 7.770 1.573 5 HA LEU 2 HA LEU 2 -24.248 8.022 -0.941 6 HB2 LEU 2 HB2 LEU 2 -24.534 9.805 1.517 7 HB3 LEU 2 HB3 LEU 2 -23.444 10.135 0.181 8 HG LEU 2 HG LEU 2 -25.477 10.013 -1.383 9 HD11 LEU 2 HD11 LEU 2 -26.949 10.348 1.274 10 HD12 LEU 2 HD12 LEU 2 -27.186 9.045 0.087 11 HD13 LEU 2 HD13 LEU 2 -27.646 10.694 -0.319 12 HD21 LEU 2 HD21 LEU 2 -25.240 12.220 0.685 13 HD22 LEU 2 HD22 LEU 2 -26.062 12.369 -0.882 14 HD23 LEU 2 HD23 LEU 2 -24.326 12.083 -0.836 15 H GLU 3 H GLU 3 -23.742 6.533 2.036 16 HA GLU 3 HA GLU 3 -21.139 6.966 2.812 17 HB2 GLU 3 HB2 GLU 3 -22.828 5.685 4.012 18 HB3 GLU 3 HB3 GLU 3 -22.832 4.425 2.776 19 HG2 GLU 3 HG2 GLU 3 -20.458 3.900 3.343 20 HG3 GLU 3 HG3 GLU 3 -20.509 5.163 4.590 21 H HIS 4 H HIS 4 -19.077 6.110 2.271 22 HA HIS 4 HA HIS 4 -18.807 4.213 0.084 23 HB2 HIS 4 HB2 HIS 4 -17.191 5.855 -1.062 24 HB3 HIS 4 HB3 HIS 4 -18.912 6.113 -1.289 25 HD1 HIS 4 HD1 HIS 4 -20.028 8.231 -0.074 26 HD2 HIS 4 HD2 HIS 4 -15.839 7.833 0.241 27 HE1 HIS 4 HE1 HIS 4 -19.152 10.500 0.699 28 H MET 5 H MET 5 -16.848 3.266 0.024 29 HA MET 5 HA MET 5 -14.536 3.854 1.515 30 HB2 MET 5 HB2 MET 5 -14.620 1.686 2.815 31 HB3 MET 5 HB3 MET 5 -15.661 2.948 3.465 32 HG2 MET 5 HG2 MET 5 -16.871 0.999 1.513 33 HG3 MET 5 HG3 MET 5 -16.486 0.410 3.131 34 HE1 MET 5 HE1 MET 5 -19.230 -0.008 2.313 35 HE2 MET 5 HE2 MET 5 -20.476 1.204 2.682 36 HE3 MET 5 HE3 MET 5 -19.481 1.368 1.215 37 H ALA 6 H ALA 6 -12.991 1.970 0.956 38 HA ALA 6 HA ALA 6 -13.925 0.386 -1.394 39 HB1 ALA 6 HB1 ALA 6 -11.848 1.035 -2.596 40 HB2 ALA 6 HB2 ALA 6 -12.907 2.406 -2.277 41 HB3 ALA 6 HB3 ALA 6 -11.451 2.173 -1.287 42 H ASP 7 H ASP 7 -12.357 -1.279 -2.003 43 HA ASP 7 HA ASP 7 -10.882 -2.368 0.384 44 HB2 ASP 7 HB2 ASP 7 -13.031 -3.572 -0.289 45 HB3 ASP 7 HB3 ASP 7 -12.134 -4.122 -1.719 46 H GLU 8 H GLU 8 -10.754 -1.495 -2.961 47 HA GLU 8 HA GLU 8 -8.520 -3.000 -3.822 48 HB2 GLU 8 HB2 GLU 8 -8.460 -1.423 -5.645 49 HB3 GLU 8 HB3 GLU 8 -10.127 -1.828 -5.250 50 HG2 GLU 8 HG2 GLU 8 -10.036 0.348 -3.744 51 HG3 GLU 8 HG3 GLU 8 -8.603 0.744 -4.682 52 H GLU 9 H GLU 9 -8.642 -0.774 -1.366 53 HA GLU 9 HA GLU 9 -5.877 0.273 -1.661 54 HB2 GLU 9 HB2 GLU 9 -8.093 1.678 -1.207 55 HB3 GLU 9 HB3 GLU 9 -7.906 1.064 0.434 56 HG2 GLU 9 HG2 GLU 9 -5.445 2.005 0.238 57 HG3 GLU 9 HG3 GLU 9 -6.071 2.893 -1.151 58 H LYS 10 H LYS 10 -7.507 -2.374 -0.269 59 HA LYS 10 HA LYS 10 -5.825 -2.434 2.178 60 HB2 LYS 10 HB2 LYS 10 -8.106 -4.253 1.323 61 HB3 LYS 10 HB3 LYS 10 -7.232 -4.327 2.858 62 HG2 LYS 10 HG2 LYS 10 -8.893 -1.963 1.858 63 HG3 LYS 10 HG3 LYS 10 -9.414 -3.138 3.046 64 HD2 LYS 10 HD2 LYS 10 -7.859 -2.365 4.692 65 HD3 LYS 10 HD3 LYS 10 -6.938 -1.401 3.524 66 HE2 LYS 10 HE2 LYS 10 -8.776 0.082 3.110 67 HE3 LYS 10 HE3 LYS 10 -9.848 -0.882 4.121 68 HZ1 LYS 10 HZ1 LYS 10 -8.697 -0.231 6.030 69 HZ2 LYS 10 HZ2 LYS 10 -8.890 1.153 5.143 70 HZ3 LYS 10 HZ3 LYS 10 -7.424 0.416 5.205 71 H LEU 11 H LEU 11 -3.913 -2.637 1.343 72 HA LEU 11 HA LEU 11 -3.051 -4.214 -0.684 73 HB2 LEU 11 HB2 LEU 11 -1.741 -3.098 1.784 74 HB3 LEU 11 HB3 LEU 11 -0.815 -4.217 0.801 75 HG LEU 11 HG LEU 11 -0.453 -1.815 0.281 76 HD11 LEU 11 HD11 LEU 11 0.112 -3.498 -1.386 77 HD12 LEU 11 HD12 LEU 11 -0.548 -2.071 -2.199 78 HD13 LEU 11 HD13 LEU 11 -1.556 -3.475 -2.029 79 HD21 LEU 11 HD21 LEU 11 -3.251 -1.865 -0.951 80 HD22 LEU 11 HD22 LEU 11 -2.105 -0.557 -1.033 81 HD23 LEU 11 HD23 LEU 11 -2.777 -0.993 0.533 82 HA PRO 12 HA PRO 12 -3.402 -8.354 0.326 83 HB2 PRO 12 HB2 PRO 12 -1.106 -9.444 -0.834 84 HB3 PRO 12 HB3 PRO 12 -2.625 -9.020 -1.669 85 HG2 PRO 12 HG2 PRO 12 -0.044 -7.525 -1.537 86 HG3 PRO 12 HG3 PRO 12 -1.197 -7.648 -2.895 87 HD2 PRO 12 HD2 PRO 12 -1.002 -5.509 -1.182 88 HD3 PRO 12 HD3 PRO 12 -2.491 -5.940 -2.049 89 HA PRO 13 HA PRO 13 -1.262 -9.559 3.890 90 HB2 PRO 13 HB2 PRO 13 -0.767 -12.277 3.617 91 HB3 PRO 13 HB3 PRO 13 -2.352 -11.532 3.996 92 HG2 PRO 13 HG2 PRO 13 -1.336 -12.451 1.330 93 HG3 PRO 13 HG3 PRO 13 -2.959 -12.707 2.080 94 HD2 PRO 13 HD2 PRO 13 -2.467 -10.814 0.218 95 HD3 PRO 13 HD3 PRO 13 -3.614 -10.539 1.540 96 H GLY 14 H GLY 14 0.660 -8.847 4.313 97 HA2 GLY 14 HA2 GLY 14 3.034 -9.321 4.537 98 HA3 GLY 14 HA3 GLY 14 3.060 -9.742 2.823 99 H TRP 15 H TRP 15 1.254 -7.579 1.977 100 HA TRP 15 HA TRP 15 3.326 -5.484 1.895 101 HB2 TRP 15 HB2 TRP 15 0.745 -5.933 0.377 102 HB3 TRP 15 HB3 TRP 15 1.792 -4.541 0.161 103 HD1 TRP 15 HD1 TRP 15 1.800 -8.347 -0.484 104 HE1 TRP 15 HE1 TRP 15 3.498 -8.833 -2.311 105 HE3 TRP 15 HE3 TRP 15 4.043 -3.797 -0.643 106 HZ2 TRP 15 HZ2 TRP 15 5.667 -7.410 -3.668 107 HZ3 TRP 15 HZ3 TRP 15 5.861 -3.340 -2.278 108 HH2 TRP 15 HH2 TRP 15 6.712 -5.156 -3.761 109 H GLU 16 H GLU 16 2.993 -3.399 2.440 110 HA GLU 16 HA GLU 16 0.591 -2.493 3.940 111 HB2 GLU 16 HB2 GLU 16 3.521 -2.678 4.725 112 HB3 GLU 16 HB3 GLU 16 2.617 -1.248 5.239 113 HG2 GLU 16 HG2 GLU 16 1.583 -4.048 5.754 114 HG3 GLU 16 HG3 GLU 16 2.680 -3.215 6.879 115 H LYS 17 H LYS 17 -0.087 -0.517 3.191 116 HA LYS 17 HA LYS 17 1.462 0.906 1.169 117 HB2 LYS 17 HB2 LYS 17 -0.937 0.528 0.913 118 HB3 LYS 17 HB3 LYS 17 -1.254 1.319 2.477 119 HG2 LYS 17 HG2 LYS 17 -0.319 3.465 1.513 120 HG3 LYS 17 HG3 LYS 17 -0.099 2.635 -0.018 121 HD2 LYS 17 HD2 LYS 17 -2.114 3.632 -0.407 122 HD3 LYS 17 HD3 LYS 17 -2.745 2.113 0.238 123 HE2 LYS 17 HE2 LYS 17 -2.144 4.419 2.129 124 HE3 LYS 17 HE3 LYS 17 -3.522 4.589 1.046 125 HZ1 LYS 17 HZ1 LYS 17 -3.430 2.143 2.652 126 HZ2 LYS 17 HZ2 LYS 17 -4.717 3.043 2.122 127 HZ3 LYS 17 HZ3 LYS 17 -3.866 3.553 3.371 128 H ARG 18 H ARG 18 3.088 2.215 1.943 129 HA ARG 18 HA ARG 18 2.450 3.885 4.347 130 HB2 ARG 18 HB2 ARG 18 5.149 2.760 3.492 131 HB3 ARG 18 HB3 ARG 18 4.888 3.773 4.882 132 HG2 ARG 18 HG2 ARG 18 3.428 1.098 4.686 133 HG3 ARG 18 HG3 ARG 18 5.095 1.205 5.241 134 HD2 ARG 18 HD2 ARG 18 4.521 2.736 6.984 135 HD3 ARG 18 HD3 ARG 18 2.894 2.964 6.373 136 HE ARG 18 HE ARG 18 2.355 0.650 6.955 137 HH11 ARG 18 HH11 ARG 18 5.013 2.192 8.890 138 HH12 ARG 18 HH12 ARG 18 4.732 1.091 10.203 139 HH21 ARG 18 HH21 ARG 18 2.163 -0.741 8.653 140 HH22 ARG 18 HH22 ARG 18 3.163 -0.588 10.077 141 H MET 19 H MET 19 4.376 5.686 4.250 142 HA MET 19 HA MET 19 4.400 6.813 1.550 143 HB2 MET 19 HB2 MET 19 2.547 7.816 2.965 144 HB3 MET 19 HB3 MET 19 3.816 8.409 4.070 145 HG2 MET 19 HG2 MET 19 4.902 9.506 2.108 146 HG3 MET 19 HG3 MET 19 3.568 8.963 1.083 147 HE1 MET 19 HE1 MET 19 4.860 11.276 3.798 148 HE2 MET 19 HE2 MET 19 3.488 12.316 4.195 149 HE3 MET 19 HE3 MET 19 3.515 10.640 4.767 150 H GLU 20 H GLU 20 6.276 7.670 1.005 151 HA GLU 20 HA GLU 20 8.670 7.026 2.461 152 HB2 GLU 20 HB2 GLU 20 7.984 8.641 -0.006 153 HB3 GLU 20 HB3 GLU 20 9.653 8.473 0.567 154 HG2 GLU 20 HG2 GLU 20 7.903 6.136 -0.191 155 HG3 GLU 20 HG3 GLU 20 8.935 7.006 -1.317 156 H ARG 21 H ARG 21 9.562 8.325 4.117 157 HA ARG 21 HA ARG 21 8.424 10.990 4.495 158 HB2 ARG 21 HB2 ARG 21 10.498 9.356 5.973 159 HB3 ARG 21 HB3 ARG 21 10.298 11.076 6.297 160 HG2 ARG 21 HG2 ARG 21 8.868 10.168 7.885 161 HG3 ARG 21 HG3 ARG 21 7.799 10.644 6.594 162 HD2 ARG 21 HD2 ARG 21 7.075 8.514 7.372 163 HD3 ARG 21 HD3 ARG 21 7.812 8.241 5.795 164 HE ARG 21 HE ARG 21 9.636 7.977 8.079 165 HH11 ARG 21 HH11 ARG 21 7.571 6.202 5.749 166 HH12 ARG 21 HH12 ARG 21 8.150 4.641 6.300 167 HH21 ARG 21 HH21 ARG 21 10.264 5.896 8.809 168 HH22 ARG 21 HH22 ARG 21 9.910 4.505 7.853 169 H SER 22 H SER 22 10.918 9.914 2.391 170 HA SER 22 HA SER 22 12.737 12.070 2.599 171 HB2 SER 22 HB2 SER 22 13.299 11.300 0.230 172 HB3 SER 22 HB3 SER 22 13.380 10.070 1.505 173 HG SER 22 HG SER 22 12.294 9.196 -0.236 174 H SER 23 H SER 23 9.831 11.608 0.561 175 HA SER 23 HA SER 23 9.666 14.535 0.195 176 HB2 SER 23 HB2 SER 23 9.782 12.487 -2.009 177 HB3 SER 23 HB3 SER 23 8.987 14.025 -2.235 178 HG SER 23 HG SER 23 11.594 13.850 -1.116 179 H GLY 24 H GLY 24 7.991 11.573 0.946 180 HA2 GLY 24 HA2 GLY 24 5.850 11.561 1.798 181 HA3 GLY 24 HA3 GLY 24 5.551 13.164 1.107 182 H ARG 25 H ARG 25 6.465 9.840 -0.161 183 HA ARG 25 HA ARG 25 4.303 10.242 -2.183 184 HB2 ARG 25 HB2 ARG 25 6.778 10.452 -2.955 185 HB3 ARG 25 HB3 ARG 25 6.886 8.720 -2.644 186 HG2 ARG 25 HG2 ARG 25 6.366 8.876 -4.931 187 HG3 ARG 25 HG3 ARG 25 4.821 8.447 -4.182 188 HD2 ARG 25 HD2 ARG 25 5.498 11.367 -4.645 189 HD3 ARG 25 HD3 ARG 25 5.068 10.356 -6.027 190 HE ARG 25 HE ARG 25 2.981 9.757 -4.903 191 HH11 ARG 25 HH11 ARG 25 4.360 13.029 -4.402 192 HH12 ARG 25 HH12 ARG 25 2.906 13.637 -3.684 193 HH21 ARG 25 HH21 ARG 25 1.040 10.689 -4.180 194 HH22 ARG 25 HH22 ARG 25 1.016 12.300 -3.526 195 H VAL 26 H VAL 26 2.829 8.597 -2.221 196 HA VAL 26 HA VAL 26 3.034 6.629 -0.094 197 HB VAL 26 HB VAL 26 0.891 6.828 -2.230 198 HG11 VAL 26 HG11 VAL 26 0.905 4.686 -0.938 199 HG12 VAL 26 HG12 VAL 26 0.899 5.598 0.584 200 HG13 VAL 26 HG13 VAL 26 -0.492 5.672 -0.517 201 HG21 VAL 26 HG21 VAL 26 1.016 8.971 -1.058 202 HG22 VAL 26 HG22 VAL 26 -0.402 8.068 -0.484 203 HG23 VAL 26 HG23 VAL 26 1.059 8.140 0.523 204 H TYR 27 H TYR 27 3.286 4.383 -0.350 205 HA TYR 27 HA TYR 27 3.716 3.235 -2.976 206 HB2 TYR 27 HB2 TYR 27 5.994 2.660 -2.682 207 HB3 TYR 27 HB3 TYR 27 5.903 4.379 -2.362 208 HD1 TYR 27 HD2 TYR 27 5.619 5.077 0.218 209 HD2 TYR 27 HD1 TYR 27 7.168 1.326 -1.207 210 HE1 TYR 27 HE2 TYR 27 6.873 4.810 2.336 211 HE2 TYR 27 HE1 TYR 27 8.368 0.999 0.917 212 HH TYR 27 HH TYR 27 9.509 2.992 2.519 213 H TYR 28 H TYR 28 4.700 0.832 -2.389 214 HA TYR 28 HA TYR 28 3.102 -0.174 -0.084 215 HB2 TYR 28 HB2 TYR 28 3.614 -1.612 -2.714 216 HB3 TYR 28 HB3 TYR 28 2.600 -2.128 -1.371 217 HD1 TYR 28 HD1 TYR 28 0.881 -0.041 -0.637 218 HD2 TYR 28 HD2 TYR 28 2.404 -0.845 -4.578 219 HE1 TYR 28 HE1 TYR 28 -0.999 1.198 -1.576 220 HE2 TYR 28 HE2 TYR 28 0.501 0.391 -5.563 221 HH TYR 28 HH TYR 28 -2.168 1.787 -3.689 222 H PHE 29 H PHE 29 4.179 -1.640 1.193 223 HA PHE 29 HA PHE 29 7.027 -2.309 0.568 224 HB2 PHE 29 HB2 PHE 29 6.918 -0.383 2.114 225 HB3 PHE 29 HB3 PHE 29 5.867 -1.296 3.194 226 HD1 PHE 29 HD2 PHE 29 6.770 -3.393 4.342 227 HD2 PHE 29 HD1 PHE 29 9.310 -0.651 2.156 228 HE1 PHE 29 HE2 PHE 29 8.791 -4.348 5.428 229 HE2 PHE 29 HE1 PHE 29 11.289 -1.573 3.304 230 HZ PHE 29 HZ PHE 29 11.010 -3.442 4.939 231 H ASN 30 H ASN 30 7.398 -4.446 0.833 232 HA ASN 30 HA ASN 30 5.266 -6.145 2.020 233 HB2 ASN 30 HB2 ASN 30 6.225 -6.593 -0.274 234 HB3 ASN 30 HB3 ASN 30 7.700 -7.115 0.537 235 HD21 ASN 30 HD21 ASN 30 6.280 -8.897 -1.033 236 HD22 ASN 30 HD22 ASN 30 5.303 -10.015 -0.075 237 H HIS 31 H HIS 31 5.546 -6.468 4.192 238 HA HIS 31 HA HIS 31 8.119 -6.244 5.469 239 HB2 HIS 31 HB2 HIS 31 6.987 -6.740 7.492 240 HB3 HIS 31 HB3 HIS 31 5.927 -5.703 6.556 241 HD1 HIS 31 HD1 HIS 31 6.285 -9.504 7.497 242 HD2 HIS 31 HD2 HIS 31 3.536 -6.629 6.114 243 HE1 HIS 31 HE1 HIS 31 4.031 -10.588 7.599 244 H ILE 32 H ILE 32 6.690 -8.772 3.795 245 HA ILE 32 HA ILE 32 7.710 -11.003 5.351 246 HB ILE 32 HB ILE 32 6.872 -10.845 2.430 247 HG12 ILE 32 HG12 ILE 32 5.360 -11.902 4.861 248 HG13 ILE 32 HG13 ILE 32 5.062 -10.351 4.086 249 HG21 ILE 32 HG21 ILE 32 7.257 -13.356 4.080 250 HG22 ILE 32 HG22 ILE 32 6.753 -13.273 2.384 251 HG23 ILE 32 HG23 ILE 32 8.376 -12.796 2.814 252 HD11 ILE 32 HD11 ILE 32 3.402 -11.879 3.270 253 HD12 ILE 32 HD12 ILE 32 4.529 -11.581 1.939 254 HD13 ILE 32 HD13 ILE 32 4.604 -13.098 2.863 255 H THR 33 H THR 33 8.889 -9.199 2.472 256 HA THR 33 HA THR 33 11.542 -10.448 2.967 257 HB THR 33 HB THR 33 10.268 -11.543 1.160 258 HG1 THR 33 HG1 THR 33 12.519 -10.276 0.112 259 HG21 THR 33 HG21 THR 33 9.145 -9.584 0.162 260 HG22 THR 33 HG22 THR 33 10.067 -10.519 -1.024 261 HG23 THR 33 HG23 THR 33 10.728 -8.999 -0.401 262 H ASN 34 H ASN 34 10.101 -7.626 3.397 263 HA ASN 34 HA ASN 34 10.865 -5.515 3.624 264 HB2 ASN 34 HB2 ASN 34 12.986 -6.810 4.365 265 HB3 ASN 34 HB3 ASN 34 13.658 -6.366 2.816 266 HD21 ASN 34 HD21 ASN 34 12.829 -3.618 2.643 267 HD22 ASN 34 HD22 ASN 34 13.557 -2.735 3.981 268 H ALA 35 H ALA 35 9.965 -6.688 1.031 269 HA ALA 35 HA ALA 35 11.412 -5.168 -1.058 270 HB1 ALA 35 HB1 ALA 35 9.070 -7.099 -1.066 271 HB2 ALA 35 HB2 ALA 35 9.494 -6.161 -2.484 272 HB3 ALA 35 HB3 ALA 35 10.673 -7.276 -1.817 273 H SER 36 H SER 36 9.821 -3.922 -2.566 274 HA SER 36 HA SER 36 7.630 -2.586 -1.401 275 HB2 SER 36 HB2 SER 36 8.526 -0.460 -0.970 276 HB3 SER 36 HB3 SER 36 9.761 -1.577 -0.396 277 HG SER 36 HG SER 36 10.884 -0.139 -1.484 278 H GLN 37 H GLN 37 6.490 -1.302 -3.013 279 HA GLN 37 HA GLN 37 7.722 -0.829 -5.527 280 HB2 GLN 37 HB2 GLN 37 5.665 -3.077 -5.241 281 HB3 GLN 37 HB3 GLN 37 5.655 -2.092 -6.708 282 HG2 GLN 37 HG2 GLN 37 8.159 -2.670 -6.954 283 HG3 GLN 37 HG3 GLN 37 7.854 -3.929 -5.750 284 HE21 GLN 37 HE21 GLN 37 6.964 -2.814 -9.056 285 HE22 GLN 37 HE22 GLN 37 6.250 -4.324 -9.558 286 H TRP 38 H TRP 38 6.066 0.258 -6.984 287 HA TRP 38 HA TRP 38 4.208 1.933 -5.393 288 HB2 TRP 38 HB2 TRP 38 5.165 2.440 -8.214 289 HB3 TRP 38 HB3 TRP 38 4.438 3.577 -7.080 290 HD1 TRP 38 HD1 TRP 38 7.671 1.777 -7.897 291 HE1 TRP 38 HE1 TRP 38 9.652 2.909 -6.737 292 HE3 TRP 38 HE3 TRP 38 5.105 5.145 -5.041 293 HZ2 TRP 38 HZ2 TRP 38 10.080 5.095 -4.870 294 HZ3 TRP 38 HZ3 TRP 38 6.304 6.684 -3.545 295 HH2 TRP 38 HH2 TRP 38 8.804 6.720 -3.490 296 H GLU 39 H GLU 39 4.319 -0.503 -7.952 297 HA GLU 39 HA GLU 39 1.589 0.054 -8.867 298 HB2 GLU 39 HB2 GLU 39 1.897 -1.815 -10.357 299 HB3 GLU 39 HB3 GLU 39 3.330 -0.785 -10.419 300 HG2 GLU 39 HG2 GLU 39 4.456 -2.386 -8.819 301 HG3 GLU 39 HG3 GLU 39 3.074 -3.469 -8.998 302 H ARG 40 H ARG 40 -0.212 -1.256 -8.269 303 HA ARG 40 HA ARG 40 -0.153 -2.209 -5.614 304 HB2 ARG 40 HB2 ARG 40 -2.176 -2.433 -7.825 305 HB3 ARG 40 HB3 ARG 40 -2.407 -3.312 -6.300 306 HG2 ARG 40 HG2 ARG 40 -2.278 -1.250 -5.001 307 HG3 ARG 40 HG3 ARG 40 -1.884 -0.325 -6.455 308 HD2 ARG 40 HD2 ARG 40 -4.210 0.033 -6.013 309 HD3 ARG 40 HD3 ARG 40 -4.110 -1.012 -7.429 310 HE ARG 40 HE ARG 40 -5.059 -1.679 -4.708 311 HH11 ARG 40 HH11 ARG 40 -4.406 -2.984 -7.959 312 HH12 ARG 40 HH12 ARG 40 -5.423 -4.343 -7.769 313 HH21 ARG 40 HH21 ARG 40 -6.261 -3.489 -4.383 314 HH22 ARG 40 HH22 ARG 40 -6.637 -4.591 -5.666 315 HA PRO 41 HA PRO 41 1.590 -6.300 -6.496 316 HB2 PRO 41 HB2 PRO 41 1.902 -7.136 -3.923 317 HB3 PRO 41 HB3 PRO 41 2.889 -5.851 -4.638 318 HG2 PRO 41 HG2 PRO 41 0.404 -5.555 -2.932 319 HG3 PRO 41 HG3 PRO 41 1.965 -4.714 -2.718 320 HD2 PRO 41 HD2 PRO 41 -0.132 -3.569 -4.011 321 HD3 PRO 41 HD3 PRO 41 1.570 -3.279 -4.476 322 H SER 42 H SER 42 1.108 -8.591 -5.360 323 HA SER 42 HA SER 42 -1.665 -9.049 -4.704 324 HB2 SER 42 HB2 SER 42 -1.866 -10.826 -6.469 325 HB3 SER 42 HB3 SER 42 -1.805 -9.197 -7.103 326 HG SER 42 HG SER 42 -0.385 -10.215 -8.348 327 H GLY 43 H GLY 43 -1.517 -10.274 -2.931 328 HA2 GLY 43 HA2 GLY 43 0.770 -12.171 -2.544 329 HA3 GLY 43 HA3 GLY 43 0.082 -11.205 -1.239 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.373 10.660 2.110 2 HA2 GLY 1 HA2 GLY 1 -15.197 11.011 2.978 3 HA3 GLY 1 HA3 GLY 1 -14.561 11.583 1.421 4 H LEU 2 H LEU 2 -15.752 8.827 3.189 5 HA LEU 2 HA LEU 2 -15.351 7.051 0.819 6 HB2 LEU 2 HB2 LEU 2 -15.160 6.405 3.787 7 HB3 LEU 2 HB3 LEU 2 -15.538 5.203 2.576 8 HG LEU 2 HG LEU 2 -13.273 4.993 3.142 9 HD11 LEU 2 HD11 LEU 2 -13.881 4.611 0.756 10 HD12 LEU 2 HD12 LEU 2 -12.181 5.113 0.961 11 HD13 LEU 2 HD13 LEU 2 -13.376 6.269 0.383 12 HD21 LEU 2 HD21 LEU 2 -12.652 7.809 2.226 13 HD22 LEU 2 HD22 LEU 2 -11.554 6.623 2.935 14 HD23 LEU 2 HD23 LEU 2 -12.843 7.312 3.932 15 H GLU 3 H GLU 3 -17.379 7.531 -0.109 16 HA GLU 3 HA GLU 3 -19.719 7.416 1.701 17 HB2 GLU 3 HB2 GLU 3 -19.990 7.649 -1.286 18 HB3 GLU 3 HB3 GLU 3 -21.077 8.173 -0.030 19 HG2 GLU 3 HG2 GLU 3 -18.404 9.453 -0.747 20 HG3 GLU 3 HG3 GLU 3 -19.994 9.996 -1.249 21 H HIS 4 H HIS 4 -18.923 5.859 -1.443 22 HA HIS 4 HA HIS 4 -20.543 3.535 -0.809 23 HB2 HIS 4 HB2 HIS 4 -18.430 3.899 -2.978 24 HB3 HIS 4 HB3 HIS 4 -19.665 2.645 -2.916 25 HD1 HIS 4 HD1 HIS 4 -19.692 4.128 -5.516 26 HD2 HIS 4 HD2 HIS 4 -21.694 5.522 -2.062 27 HE1 HIS 4 HE1 HIS 4 -21.490 5.691 -6.317 28 H MET 5 H MET 5 -19.585 1.321 -0.968 29 HA MET 5 HA MET 5 -17.203 1.103 0.784 30 HB2 MET 5 HB2 MET 5 -19.341 -0.881 -0.098 31 HB3 MET 5 HB3 MET 5 -17.866 -1.314 0.779 32 HG2 MET 5 HG2 MET 5 -18.510 0.392 2.546 33 HG3 MET 5 HG3 MET 5 -20.055 0.581 1.722 34 HE1 MET 5 HE1 MET 5 -18.560 -3.232 3.902 35 HE2 MET 5 HE2 MET 5 -18.081 -2.945 2.220 36 HE3 MET 5 HE3 MET 5 -17.586 -1.803 3.477 37 H ALA 6 H ALA 6 -15.273 0.599 -0.031 38 HA ALA 6 HA ALA 6 -14.967 -0.837 -2.596 39 HB1 ALA 6 HB1 ALA 6 -13.563 1.805 -1.945 40 HB2 ALA 6 HB2 ALA 6 -13.485 0.861 -3.452 41 HB3 ALA 6 HB3 ALA 6 -14.976 1.678 -3.019 42 H ASP 7 H ASP 7 -13.368 -2.461 -2.139 43 HA ASP 7 HA ASP 7 -11.734 -2.024 0.315 44 HB2 ASP 7 HB2 ASP 7 -13.751 -3.979 -0.109 45 HB3 ASP 7 HB3 ASP 7 -12.228 -4.824 -0.246 46 H GLU 8 H GLU 8 -11.407 -2.124 -2.926 47 HA GLU 8 HA GLU 8 -9.259 -3.967 -3.266 48 HB2 GLU 8 HB2 GLU 8 -8.841 -2.880 -5.341 49 HB3 GLU 8 HB3 GLU 8 -10.554 -3.094 -5.132 50 HG2 GLU 8 HG2 GLU 8 -9.034 -0.487 -4.736 51 HG3 GLU 8 HG3 GLU 8 -9.987 -0.921 -6.152 52 H GLU 9 H GLU 9 -9.391 -0.987 -1.632 53 HA GLU 9 HA GLU 9 -6.619 -0.227 -1.868 54 HB2 GLU 9 HB2 GLU 9 -8.632 1.234 -1.336 55 HB3 GLU 9 HB3 GLU 9 -8.662 0.501 0.276 56 HG2 GLU 9 HG2 GLU 9 -6.405 1.395 0.732 57 HG3 GLU 9 HG3 GLU 9 -6.260 1.962 -0.928 58 H LYS 10 H LYS 10 -8.116 -2.861 -0.240 59 HA LYS 10 HA LYS 10 -6.293 -2.873 2.069 60 HB2 LYS 10 HB2 LYS 10 -8.221 -4.994 1.015 61 HB3 LYS 10 HB3 LYS 10 -7.306 -5.105 2.517 62 HG2 LYS 10 HG2 LYS 10 -9.388 -2.970 1.874 63 HG3 LYS 10 HG3 LYS 10 -9.653 -4.410 2.866 64 HD2 LYS 10 HD2 LYS 10 -8.059 -3.609 4.550 65 HD3 LYS 10 HD3 LYS 10 -7.595 -2.241 3.539 66 HE2 LYS 10 HE2 LYS 10 -9.095 -1.502 5.239 67 HE3 LYS 10 HE3 LYS 10 -9.785 -1.269 3.628 68 HZ1 LYS 10 HZ1 LYS 10 -11.384 -2.158 5.214 69 HZ2 LYS 10 HZ2 LYS 10 -10.470 -3.532 5.403 70 HZ3 LYS 10 HZ3 LYS 10 -11.173 -3.158 3.945 71 H LEU 11 H LEU 11 -4.245 -2.989 1.492 72 HA LEU 11 HA LEU 11 -3.270 -4.359 -0.737 73 HB2 LEU 11 HB2 LEU 11 -2.037 -3.313 1.827 74 HB3 LEU 11 HB3 LEU 11 -1.055 -4.328 0.790 75 HG LEU 11 HG LEU 11 -0.756 -1.917 0.379 76 HD11 LEU 11 HD11 LEU 11 -0.940 -2.021 -2.123 77 HD12 LEU 11 HD12 LEU 11 -1.858 -3.490 -1.994 78 HD13 LEU 11 HD13 LEU 11 -0.180 -3.432 -1.391 79 HD21 LEU 11 HD21 LEU 11 -3.594 -1.951 -0.735 80 HD22 LEU 11 HD22 LEU 11 -2.517 -0.603 -0.740 81 HD23 LEU 11 HD23 LEU 11 -3.097 -1.205 0.809 82 HA PRO 12 HA PRO 12 -3.429 -8.559 0.234 83 HB2 PRO 12 HB2 PRO 12 -1.045 -9.523 -0.861 84 HB3 PRO 12 HB3 PRO 12 -2.551 -9.171 -1.765 85 HG2 PRO 12 HG2 PRO 12 -0.053 -7.541 -1.483 86 HG3 PRO 12 HG3 PRO 12 -1.126 -7.709 -2.896 87 HD2 PRO 12 HD2 PRO 12 -1.135 -5.571 -1.168 88 HD3 PRO 12 HD3 PRO 12 -2.555 -6.064 -2.105 89 HA PRO 13 HA PRO 13 -1.275 -9.601 3.864 90 HB2 PRO 13 HB2 PRO 13 -0.618 -12.277 3.629 91 HB3 PRO 13 HB3 PRO 13 -2.255 -11.645 3.992 92 HG2 PRO 13 HG2 PRO 13 -1.128 -12.511 1.330 93 HG3 PRO 13 HG3 PRO 13 -2.735 -12.881 2.048 94 HD2 PRO 13 HD2 PRO 13 -2.427 -10.922 0.203 95 HD3 PRO 13 HD3 PRO 13 -3.532 -10.714 1.587 96 H GLY 14 H GLY 14 0.597 -8.771 4.316 97 HA2 GLY 14 HA2 GLY 14 2.998 -9.152 4.587 98 HA3 GLY 14 HA3 GLY 14 3.078 -9.610 2.890 99 H TRP 15 H TRP 15 1.154 -7.514 2.006 100 HA TRP 15 HA TRP 15 3.126 -5.353 1.907 101 HB2 TRP 15 HB2 TRP 15 0.612 -5.952 0.359 102 HB3 TRP 15 HB3 TRP 15 1.600 -4.520 0.123 103 HD1 TRP 15 HD1 TRP 15 1.795 -8.358 -0.405 104 HE1 TRP 15 HE1 TRP 15 3.625 -8.787 -2.178 105 HE3 TRP 15 HE3 TRP 15 3.910 -3.724 -0.600 106 HZ2 TRP 15 HZ2 TRP 15 5.516 -7.342 -3.628 107 HZ3 TRP 15 HZ3 TRP 15 5.750 -3.272 -2.182 108 HH2 TRP 15 HH2 TRP 15 6.609 -5.067 -3.698 109 H GLU 16 H GLU 16 2.747 -3.289 2.442 110 HA GLU 16 HA GLU 16 0.306 -2.483 3.924 111 HB2 GLU 16 HB2 GLU 16 3.224 -2.595 4.753 112 HB3 GLU 16 HB3 GLU 16 2.312 -1.169 5.237 113 HG2 GLU 16 HG2 GLU 16 1.362 -4.003 5.755 114 HG3 GLU 16 HG3 GLU 16 2.319 -3.064 6.904 115 H LYS 17 H LYS 17 -0.444 -0.557 3.259 116 HA LYS 17 HA LYS 17 1.074 1.007 1.278 117 HB2 LYS 17 HB2 LYS 17 -1.301 0.558 1.020 118 HB3 LYS 17 HB3 LYS 17 -1.666 1.371 2.560 119 HG2 LYS 17 HG2 LYS 17 -0.783 3.530 1.594 120 HG3 LYS 17 HG3 LYS 17 -0.379 2.674 0.109 121 HD2 LYS 17 HD2 LYS 17 -2.370 3.530 -0.553 122 HD3 LYS 17 HD3 LYS 17 -3.004 2.043 0.144 123 HE2 LYS 17 HE2 LYS 17 -2.833 4.747 1.567 124 HE3 LYS 17 HE3 LYS 17 -4.256 4.144 0.716 125 HZ1 LYS 17 HZ1 LYS 17 -4.140 2.212 2.348 126 HZ2 LYS 17 HZ2 LYS 17 -4.644 3.670 2.908 127 HZ3 LYS 17 HZ3 LYS 17 -3.124 3.159 3.231 128 H ARG 18 H ARG 18 2.562 2.460 1.914 129 HA ARG 18 HA ARG 18 2.048 4.033 4.391 130 HB2 ARG 18 HB2 ARG 18 4.660 2.876 3.360 131 HB3 ARG 18 HB3 ARG 18 4.534 3.890 4.790 132 HG2 ARG 18 HG2 ARG 18 3.044 1.213 4.595 133 HG3 ARG 18 HG3 ARG 18 4.704 1.325 5.091 134 HD2 ARG 18 HD2 ARG 18 4.176 2.647 7.002 135 HD3 ARG 18 HD3 ARG 18 2.551 3.024 6.414 136 HE ARG 18 HE ARG 18 2.006 0.581 6.726 137 HH11 ARG 18 HH11 ARG 18 4.304 2.236 8.930 138 HH12 ARG 18 HH12 ARG 18 3.915 1.135 10.228 139 HH21 ARG 18 HH21 ARG 18 1.549 -0.705 8.447 140 HH22 ARG 18 HH22 ARG 18 2.415 -0.564 9.963 141 H MET 19 H MET 19 3.878 5.987 4.234 142 HA MET 19 HA MET 19 3.889 7.038 1.499 143 HB2 MET 19 HB2 MET 19 1.809 7.881 2.618 144 HB3 MET 19 HB3 MET 19 2.817 8.549 3.918 145 HG2 MET 19 HG2 MET 19 4.064 9.822 2.073 146 HG3 MET 19 HG3 MET 19 2.792 9.304 0.973 147 HE1 MET 19 HE1 MET 19 3.925 11.462 3.923 148 HE2 MET 19 HE2 MET 19 2.484 12.389 4.390 149 HE3 MET 19 HE3 MET 19 2.586 10.659 4.771 150 H GLU 20 H GLU 20 5.710 8.177 1.073 151 HA GLU 20 HA GLU 20 7.926 7.923 2.834 152 HB2 GLU 20 HB2 GLU 20 7.416 8.846 0.108 153 HB3 GLU 20 HB3 GLU 20 8.491 9.972 0.915 154 HG2 GLU 20 HG2 GLU 20 8.854 6.978 0.806 155 HG3 GLU 20 HG3 GLU 20 9.685 8.146 -0.215 156 H ARG 21 H ARG 21 8.645 9.199 4.452 157 HA ARG 21 HA ARG 21 7.201 11.665 5.068 158 HB2 ARG 21 HB2 ARG 21 9.620 10.353 6.347 159 HB3 ARG 21 HB3 ARG 21 8.831 11.830 6.932 160 HG2 ARG 21 HG2 ARG 21 6.672 10.613 7.123 161 HG3 ARG 21 HG3 ARG 21 7.469 9.114 6.631 162 HD2 ARG 21 HD2 ARG 21 8.940 9.239 8.628 163 HD3 ARG 21 HD3 ARG 21 8.198 10.774 9.078 164 HE ARG 21 HE ARG 21 6.321 9.738 9.792 165 HH11 ARG 21 HH11 ARG 21 8.384 7.312 8.158 166 HH12 ARG 21 HH12 ARG 21 7.415 5.964 8.644 167 HH21 ARG 21 HH21 ARG 21 5.104 7.881 10.502 168 HH22 ARG 21 HH22 ARG 21 5.848 6.314 10.354 169 H SER 22 H SER 22 9.949 10.875 3.060 170 HA SER 22 HA SER 22 11.332 13.349 3.377 171 HB2 SER 22 HB2 SER 22 11.342 11.483 0.986 172 HB3 SER 22 HB3 SER 22 12.601 12.630 1.447 173 HG SER 22 HG SER 22 11.755 10.226 2.695 174 H SER 23 H SER 23 9.245 12.281 0.564 175 HA SER 23 HA SER 23 8.577 15.176 0.178 176 HB2 SER 23 HB2 SER 23 8.849 12.950 -1.854 177 HB3 SER 23 HB3 SER 23 8.273 14.590 -2.197 178 HG SER 23 HG SER 23 10.731 14.094 -2.330 179 H GLY 24 H GLY 24 7.060 12.098 0.883 180 HA2 GLY 24 HA2 GLY 24 4.830 12.019 1.702 181 HA3 GLY 24 HA3 GLY 24 4.474 13.528 0.875 182 H ARG 25 H ARG 25 5.855 10.300 -0.280 183 HA ARG 25 HA ARG 25 3.626 10.379 -2.251 184 HB2 ARG 25 HB2 ARG 25 6.032 10.829 -3.037 185 HB3 ARG 25 HB3 ARG 25 6.324 9.121 -2.715 186 HG2 ARG 25 HG2 ARG 25 5.747 9.285 -5.022 187 HG3 ARG 25 HG3 ARG 25 4.382 8.520 -4.215 188 HD2 ARG 25 HD2 ARG 25 4.312 11.487 -4.715 189 HD3 ARG 25 HD3 ARG 25 4.039 10.390 -6.054 190 HE ARG 25 HE ARG 25 2.169 11.048 -4.016 191 HH11 ARG 25 HH11 ARG 25 3.092 8.425 -6.270 192 HH12 ARG 25 HH12 ARG 25 1.558 7.664 -6.232 193 HH21 ARG 25 HH21 ARG 25 0.136 10.003 -3.935 194 HH22 ARG 25 HH22 ARG 25 -0.126 8.490 -4.738 195 H VAL 26 H VAL 26 2.315 8.687 -2.255 196 HA VAL 26 HA VAL 26 2.561 6.775 -0.108 197 HB VAL 26 HB VAL 26 0.511 6.887 -2.363 198 HG11 VAL 26 HG11 VAL 26 0.481 4.748 -1.112 199 HG12 VAL 26 HG12 VAL 26 0.386 5.637 0.424 200 HG13 VAL 26 HG13 VAL 26 -0.952 5.709 -0.735 201 HG21 VAL 26 HG21 VAL 26 -0.923 8.113 -0.709 202 HG22 VAL 26 HG22 VAL 26 0.483 8.235 0.376 203 HG23 VAL 26 HG23 VAL 26 0.490 9.037 -1.207 204 H TYR 27 H TYR 27 2.929 4.543 -0.331 205 HA TYR 27 HA TYR 27 3.526 3.350 -2.904 206 HB2 TYR 27 HB2 TYR 27 5.825 2.866 -2.447 207 HB3 TYR 27 HB3 TYR 27 5.646 4.601 -2.299 208 HD1 TYR 27 HD2 TYR 27 5.371 5.582 0.139 209 HD2 TYR 27 HD1 TYR 27 6.760 1.603 -0.712 210 HE1 TYR 27 HE2 TYR 27 6.364 5.430 2.420 211 HE2 TYR 27 HE1 TYR 27 7.669 1.409 1.564 212 HH TYR 27 HH TYR 27 8.028 2.526 3.625 213 H TYR 28 H TYR 28 4.397 1.007 -2.289 214 HA TYR 28 HA TYR 28 2.838 0.018 0.051 215 HB2 TYR 28 HB2 TYR 28 3.473 -1.396 -2.564 216 HB3 TYR 28 HB3 TYR 28 2.504 -1.995 -1.229 217 HD1 TYR 28 HD1 TYR 28 0.647 -0.029 -0.476 218 HD2 TYR 28 HD2 TYR 28 2.173 -0.750 -4.432 219 HE1 TYR 28 HE1 TYR 28 -1.409 0.932 -1.417 220 HE2 TYR 28 HE2 TYR 28 0.083 0.140 -5.402 221 HH TYR 28 HH TYR 28 -2.745 0.904 -3.357 222 H PHE 29 H PHE 29 3.840 -1.536 1.348 223 HA PHE 29 HA PHE 29 6.734 -2.069 0.816 224 HB2 PHE 29 HB2 PHE 29 6.352 -0.181 2.454 225 HB3 PHE 29 HB3 PHE 29 5.526 -1.325 3.504 226 HD1 PHE 29 HD1 PHE 29 8.756 -0.409 1.918 227 HD2 PHE 29 HD2 PHE 29 6.798 -3.195 4.597 228 HE1 PHE 29 HE1 PHE 29 10.950 -1.253 2.628 229 HE2 PHE 29 HE2 PHE 29 9.026 -4.103 5.230 230 HZ PHE 29 HZ PHE 29 11.102 -3.074 4.253 231 H ASN 30 H ASN 30 7.146 -4.135 0.917 232 HA ASN 30 HA ASN 30 5.124 -6.028 2.004 233 HB2 ASN 30 HB2 ASN 30 6.096 -6.359 -0.249 234 HB3 ASN 30 HB3 ASN 30 7.632 -6.756 0.502 235 HD21 ASN 30 HD21 ASN 30 6.905 -8.778 -0.924 236 HD22 ASN 30 HD22 ASN 30 5.962 -10.002 -0.095 237 H HIS 31 H HIS 31 5.389 -6.238 4.270 238 HA HIS 31 HA HIS 31 7.977 -6.100 5.515 239 HB2 HIS 31 HB2 HIS 31 6.857 -6.740 7.510 240 HB3 HIS 31 HB3 HIS 31 5.851 -5.578 6.664 241 HD1 HIS 31 HD1 HIS 31 5.927 -9.403 7.495 242 HD2 HIS 31 HD2 HIS 31 3.406 -6.315 6.135 243 HE1 HIS 31 HE1 HIS 31 3.579 -10.312 7.584 244 H ILE 32 H ILE 32 6.422 -8.676 3.856 245 HA ILE 32 HA ILE 32 7.504 -10.913 5.328 246 HB ILE 32 HB ILE 32 6.432 -10.653 2.497 247 HG12 ILE 32 HG12 ILE 32 5.376 -12.003 5.021 248 HG13 ILE 32 HG13 ILE 32 4.844 -10.450 4.394 249 HG21 ILE 32 HG21 ILE 32 7.356 -13.229 3.780 250 HG22 ILE 32 HG22 ILE 32 6.461 -13.091 2.252 251 HG23 ILE 32 HG23 ILE 32 8.073 -12.438 2.354 252 HD11 ILE 32 HD11 ILE 32 4.396 -13.178 3.137 253 HD12 ILE 32 HD12 ILE 32 3.191 -12.046 3.747 254 HD13 ILE 32 HD13 ILE 32 4.093 -11.648 2.276 255 H THR 33 H THR 33 8.652 -9.058 2.504 256 HA THR 33 HA THR 33 11.302 -10.359 2.969 257 HB THR 33 HB THR 33 9.932 -11.284 1.039 258 HG1 THR 33 HG1 THR 33 11.897 -11.373 -0.222 259 HG21 THR 33 HG21 THR 33 11.028 -8.873 -0.409 260 HG22 THR 33 HG22 THR 33 9.308 -9.102 0.019 261 HG23 THR 33 HG23 THR 33 10.104 -10.219 -1.095 262 H ASN 34 H ASN 34 9.873 -7.641 3.562 263 HA ASN 34 HA ASN 34 10.543 -5.535 3.929 264 HB2 ASN 34 HB2 ASN 34 12.484 -6.853 4.936 265 HB3 ASN 34 HB3 ASN 34 13.390 -6.489 3.469 266 HD21 ASN 34 HD21 ASN 34 11.730 -5.026 6.258 267 HD22 ASN 34 HD22 ASN 34 12.715 -3.555 6.282 268 H ALA 35 H ALA 35 9.728 -6.240 1.324 269 HA ALA 35 HA ALA 35 11.405 -4.666 -0.570 270 HB1 ALA 35 HB1 ALA 35 9.995 -5.688 -2.334 271 HB2 ALA 35 HB2 ALA 35 10.705 -6.947 -1.332 272 HB3 ALA 35 HB3 ALA 35 8.994 -6.484 -1.125 273 H SER 36 H SER 36 9.772 -3.566 -2.298 274 HA SER 36 HA SER 36 7.458 -2.385 -1.112 275 HB2 SER 36 HB2 SER 36 8.225 -0.172 -0.996 276 HB3 SER 36 HB3 SER 36 9.511 -1.120 -0.273 277 HG SER 36 HG SER 36 9.902 0.618 -1.976 278 H GLN 37 H GLN 37 6.380 -0.894 -2.772 279 HA GLN 37 HA GLN 37 7.376 -0.887 -5.411 280 HB2 GLN 37 HB2 GLN 37 5.361 -3.014 -4.634 281 HB3 GLN 37 HB3 GLN 37 4.944 -2.088 -6.041 282 HG2 GLN 37 HG2 GLN 37 7.687 -2.885 -6.374 283 HG3 GLN 37 HG3 GLN 37 6.734 -4.290 -5.889 284 HE21 GLN 37 HE21 GLN 37 5.444 -5.259 -7.428 285 HE22 GLN 37 HE22 GLN 37 5.163 -4.616 -9.038 286 H TRP 38 H TRP 38 5.732 0.132 -6.837 287 HA TRP 38 HA TRP 38 3.965 2.035 -5.351 288 HB2 TRP 38 HB2 TRP 38 4.955 2.194 -8.210 289 HB3 TRP 38 HB3 TRP 38 4.148 3.455 -7.264 290 HD1 TRP 38 HD1 TRP 38 7.494 1.652 -7.690 291 HE1 TRP 38 HE1 TRP 38 9.363 3.094 -6.687 292 HE3 TRP 38 HE3 TRP 38 4.647 5.187 -5.211 293 HZ2 TRP 38 HZ2 TRP 38 9.613 5.634 -5.343 294 HZ3 TRP 38 HZ3 TRP 38 5.767 6.963 -3.987 295 HH2 TRP 38 HH2 TRP 38 8.196 7.330 -4.179 296 H GLU 39 H GLU 39 4.181 -0.465 -7.851 297 HA GLU 39 HA GLU 39 1.506 -0.098 -8.890 298 HB2 GLU 39 HB2 GLU 39 3.430 -2.473 -9.039 299 HB3 GLU 39 HB3 GLU 39 1.932 -2.282 -9.953 300 HG2 GLU 39 HG2 GLU 39 2.880 -0.279 -11.082 301 HG3 GLU 39 HG3 GLU 39 4.405 -0.510 -10.209 302 H ARG 40 H ARG 40 -0.309 -1.402 -8.309 303 HA ARG 40 HA ARG 40 -0.474 -2.214 -5.604 304 HB2 ARG 40 HB2 ARG 40 -2.256 -2.527 -8.014 305 HB3 ARG 40 HB3 ARG 40 -2.569 -3.516 -6.582 306 HG2 ARG 40 HG2 ARG 40 -2.691 -1.579 -5.151 307 HG3 ARG 40 HG3 ARG 40 -2.322 -0.494 -6.499 308 HD2 ARG 40 HD2 ARG 40 -4.405 -1.019 -7.596 309 HD3 ARG 40 HD3 ARG 40 -4.707 -2.391 -6.520 310 HE ARG 40 HE ARG 40 -4.783 -0.755 -4.658 311 HH11 ARG 40 HH11 ARG 40 -6.098 -0.012 -7.894 312 HH12 ARG 40 HH12 ARG 40 -7.443 0.889 -7.284 313 HH21 ARG 40 HH21 ARG 40 -6.328 0.816 -3.922 314 HH22 ARG 40 HH22 ARG 40 -7.527 1.428 -4.993 315 HA PRO 41 HA PRO 41 1.593 -6.224 -6.278 316 HB2 PRO 41 HB2 PRO 41 1.717 -7.006 -3.660 317 HB3 PRO 41 HB3 PRO 41 2.788 -5.767 -4.360 318 HG2 PRO 41 HG2 PRO 41 0.260 -5.382 -2.760 319 HG3 PRO 41 HG3 PRO 41 1.815 -4.520 -2.557 320 HD2 PRO 41 HD2 PRO 41 -0.302 -3.475 -3.934 321 HD3 PRO 41 HD3 PRO 41 1.401 -3.149 -4.355 322 H SER 42 H SER 42 0.999 -8.538 -5.584 323 HA SER 42 HA SER 42 -1.826 -8.842 -4.840 324 HB2 SER 42 HB2 SER 42 -0.723 -10.063 -7.411 325 HB3 SER 42 HB3 SER 42 -2.367 -10.197 -6.789 326 HG SER 42 HG SER 42 -1.024 -8.009 -7.936 327 H GLY 43 H GLY 43 -0.702 -9.661 -2.935 328 HA2 GLY 43 HA2 GLY 43 -0.389 -11.471 -1.512 329 HA3 GLY 43 HA3 GLY 43 -0.732 -12.548 -2.859 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -18.965 -2.895 -4.254 2 HA2 GLY 1 HA2 GLY 1 -20.057 -0.728 -4.414 3 HA3 GLY 1 HA3 GLY 1 -19.990 -1.246 -2.714 4 H LEU 2 H LEU 2 -20.166 1.297 -2.513 5 HA LEU 2 HA LEU 2 -17.427 2.522 -2.695 6 HB2 LEU 2 HB2 LEU 2 -20.217 3.750 -2.830 7 HB3 LEU 2 HB3 LEU 2 -18.784 4.669 -2.433 8 HG LEU 2 HG LEU 2 -17.758 4.122 -4.616 9 HD11 LEU 2 HD11 LEU 2 -19.345 3.192 -6.401 10 HD12 LEU 2 HD12 LEU 2 -20.360 2.610 -5.056 11 HD13 LEU 2 HD13 LEU 2 -18.668 2.038 -5.264 12 HD21 LEU 2 HD21 LEU 2 -19.087 6.159 -4.435 13 HD22 LEU 2 HD22 LEU 2 -20.586 5.273 -4.765 14 HD23 LEU 2 HD23 LEU 2 -19.319 5.449 -6.019 15 H GLU 3 H GLU 3 -20.468 2.778 -0.814 16 HA GLU 3 HA GLU 3 -19.050 3.506 1.606 17 HB2 GLU 3 HB2 GLU 3 -21.506 4.039 0.849 18 HB3 GLU 3 HB3 GLU 3 -21.894 2.414 1.396 19 HG2 GLU 3 HG2 GLU 3 -22.414 3.878 3.203 20 HG3 GLU 3 HG3 GLU 3 -20.944 3.064 3.686 21 H HIS 4 H HIS 4 -19.974 0.496 0.115 22 HA HIS 4 HA HIS 4 -19.003 -1.106 2.415 23 HB2 HIS 4 HB2 HIS 4 -20.854 -2.707 1.923 24 HB3 HIS 4 HB3 HIS 4 -21.461 -1.159 2.487 25 HD1 HIS 4 HD1 HIS 4 -22.921 0.269 0.701 26 HD2 HIS 4 HD2 HIS 4 -21.232 -3.312 -0.733 27 HE1 HIS 4 HE1 HIS 4 -23.868 -0.102 -1.639 28 H MET 5 H MET 5 -18.353 -3.265 1.657 29 HA MET 5 HA MET 5 -17.113 -4.630 0.416 30 HB2 MET 5 HB2 MET 5 -19.129 -3.649 -1.612 31 HB3 MET 5 HB3 MET 5 -17.888 -4.787 -2.090 32 HG2 MET 5 HG2 MET 5 -19.546 -5.297 0.400 33 HG3 MET 5 HG3 MET 5 -20.181 -5.685 -1.197 34 HE1 MET 5 HE1 MET 5 -19.622 -7.527 -2.616 35 HE2 MET 5 HE2 MET 5 -18.093 -6.721 -2.975 36 HE3 MET 5 HE3 MET 5 -18.093 -8.443 -2.622 37 H ALA 6 H ALA 6 -16.499 -1.470 0.034 38 HA ALA 6 HA ALA 6 -14.620 -1.502 -2.168 39 HB1 ALA 6 HB1 ALA 6 -13.880 0.675 -1.202 40 HB2 ALA 6 HB2 ALA 6 -15.638 0.609 -1.375 41 HB3 ALA 6 HB3 ALA 6 -14.896 0.395 0.227 42 H ASP 7 H ASP 7 -12.698 -2.670 -2.091 43 HA ASP 7 HA ASP 7 -11.521 -3.198 0.598 44 HB2 ASP 7 HB2 ASP 7 -10.692 -5.204 -0.112 45 HB3 ASP 7 HB3 ASP 7 -12.345 -5.174 -0.725 46 H GLU 8 H GLU 8 -10.927 -1.673 -2.509 47 HA GLU 8 HA GLU 8 -8.120 -1.556 -2.450 48 HB2 GLU 8 HB2 GLU 8 -8.312 0.081 -4.113 49 HB3 GLU 8 HB3 GLU 8 -9.803 -0.831 -4.291 50 HG2 GLU 8 HG2 GLU 8 -10.972 0.954 -2.898 51 HG3 GLU 8 HG3 GLU 8 -9.468 1.894 -2.930 52 H GLU 9 H GLU 9 -10.404 -0.053 -0.463 53 HA GLU 9 HA GLU 9 -9.204 2.341 0.360 54 HB2 GLU 9 HB2 GLU 9 -11.601 1.044 0.777 55 HB3 GLU 9 HB3 GLU 9 -10.836 0.828 2.353 56 HG2 GLU 9 HG2 GLU 9 -10.368 3.344 2.318 57 HG3 GLU 9 HG3 GLU 9 -11.354 3.441 0.862 58 H LYS 10 H LYS 10 -8.100 -0.906 1.114 59 HA LYS 10 HA LYS 10 -6.140 0.169 2.964 60 HB2 LYS 10 HB2 LYS 10 -6.676 -1.412 4.675 61 HB3 LYS 10 HB3 LYS 10 -8.113 -0.496 4.200 62 HG2 LYS 10 HG2 LYS 10 -8.522 -2.680 2.640 63 HG3 LYS 10 HG3 LYS 10 -7.537 -3.418 3.912 64 HD2 LYS 10 HD2 LYS 10 -9.836 -3.644 4.537 65 HD3 LYS 10 HD3 LYS 10 -9.150 -2.388 5.594 66 HE2 LYS 10 HE2 LYS 10 -9.984 -0.810 3.599 67 HE3 LYS 10 HE3 LYS 10 -11.038 -2.177 3.222 68 HZ1 LYS 10 HZ1 LYS 10 -11.841 -2.000 5.575 69 HZ2 LYS 10 HZ2 LYS 10 -12.170 -0.690 4.646 70 HZ3 LYS 10 HZ3 LYS 10 -10.914 -0.639 5.734 71 H LEU 11 H LEU 11 -4.202 -0.848 2.686 72 HA LEU 11 HA LEU 11 -3.755 -2.342 0.388 73 HB2 LEU 11 HB2 LEU 11 -2.161 -1.727 2.884 74 HB3 LEU 11 HB3 LEU 11 -1.487 -2.884 1.770 75 HG LEU 11 HG LEU 11 -0.689 -0.555 1.418 76 HD11 LEU 11 HD11 LEU 11 -2.222 -1.760 -0.935 77 HD12 LEU 11 HD12 LEU 11 -0.541 -2.108 -0.443 78 HD13 LEU 11 HD13 LEU 11 -1.005 -0.528 -1.075 79 HD21 LEU 11 HD21 LEU 11 -3.503 0.067 0.406 80 HD22 LEU 11 HD22 LEU 11 -2.142 1.147 0.449 81 HD23 LEU 11 HD23 LEU 11 -2.823 0.610 1.974 82 HA PRO 12 HA PRO 12 -4.641 -6.511 1.236 83 HB2 PRO 12 HB2 PRO 12 -2.711 -7.867 -0.227 84 HB3 PRO 12 HB3 PRO 12 -4.116 -7.020 -0.929 85 HG2 PRO 12 HG2 PRO 12 -1.279 -6.063 -0.600 86 HG3 PRO 12 HG3 PRO 12 -2.327 -5.896 -2.023 87 HD2 PRO 12 HD2 PRO 12 -1.909 -3.914 -0.229 88 HD3 PRO 12 HD3 PRO 12 -3.479 -4.104 -1.071 89 HA PRO 13 HA PRO 13 -2.331 -8.225 4.485 90 HB2 PRO 13 HB2 PRO 13 -2.303 -10.942 4.081 91 HB3 PRO 13 HB3 PRO 13 -3.737 -9.988 4.536 92 HG2 PRO 13 HG2 PRO 13 -2.991 -10.837 1.746 93 HG3 PRO 13 HG3 PRO 13 -4.562 -11.035 2.601 94 HD2 PRO 13 HD2 PRO 13 -4.133 -8.988 0.931 95 HD3 PRO 13 HD3 PRO 13 -4.996 -8.679 2.441 96 H GLY 14 H GLY 14 -0.332 -7.672 4.693 97 HA2 GLY 14 HA2 GLY 14 1.975 -8.523 4.850 98 HA3 GLY 14 HA3 GLY 14 1.875 -8.973 3.151 99 H TRP 15 H TRP 15 0.330 -6.446 2.456 100 HA TRP 15 HA TRP 15 2.719 -4.777 2.226 101 HB2 TRP 15 HB2 TRP 15 -0.039 -4.678 0.982 102 HB3 TRP 15 HB3 TRP 15 1.218 -3.504 0.673 103 HD1 TRP 15 HD1 TRP 15 0.441 -7.238 -0.057 104 HE1 TRP 15 HE1 TRP 15 1.755 -7.921 -2.122 105 HE3 TRP 15 HE3 TRP 15 3.434 -3.131 -0.436 106 HZ2 TRP 15 HZ2 TRP 15 3.949 -6.850 -3.706 107 HZ3 TRP 15 HZ3 TRP 15 5.099 -2.958 -2.250 108 HH2 TRP 15 HH2 TRP 15 5.406 -4.833 -3.874 109 H GLU 16 H GLU 16 2.746 -2.573 2.727 110 HA GLU 16 HA GLU 16 0.707 -1.410 4.533 111 HB2 GLU 16 HB2 GLU 16 3.695 -1.862 4.916 112 HB3 GLU 16 HB3 GLU 16 2.971 -0.439 5.618 113 HG2 GLU 16 HG2 GLU 16 1.849 -3.189 6.197 114 HG3 GLU 16 HG3 GLU 16 3.150 -2.489 7.137 115 H LYS 17 H LYS 17 0.425 0.766 4.102 116 HA LYS 17 HA LYS 17 1.880 1.921 1.808 117 HB2 LYS 17 HB2 LYS 17 -0.530 1.962 1.841 118 HB3 LYS 17 HB3 LYS 17 -0.542 2.792 3.414 119 HG2 LYS 17 HG2 LYS 17 0.746 4.672 2.324 120 HG3 LYS 17 HG3 LYS 17 0.506 3.912 0.762 121 HD2 LYS 17 HD2 LYS 17 -1.924 4.136 0.933 122 HD3 LYS 17 HD3 LYS 17 -1.814 4.544 2.656 123 HE2 LYS 17 HE2 LYS 17 -0.374 6.554 1.936 124 HE3 LYS 17 HE3 LYS 17 -0.955 6.206 0.290 125 HZ1 LYS 17 HZ1 LYS 17 -2.426 7.789 1.197 126 HZ2 LYS 17 HZ2 LYS 17 -2.601 6.962 2.624 127 HZ3 LYS 17 HZ3 LYS 17 -3.236 6.407 1.206 128 H ARG 18 H ARG 18 3.672 2.911 2.213 129 HA ARG 18 HA ARG 18 4.073 4.314 4.813 130 HB2 ARG 18 HB2 ARG 18 5.989 2.829 2.969 131 HB3 ARG 18 HB3 ARG 18 6.541 3.693 4.400 132 HG2 ARG 18 HG2 ARG 18 4.542 1.406 4.633 133 HG3 ARG 18 HG3 ARG 18 6.260 1.092 4.474 134 HD2 ARG 18 HD2 ARG 18 6.808 1.945 6.552 135 HD3 ARG 18 HD3 ARG 18 5.422 3.041 6.580 136 HE ARG 18 HE ARG 18 3.937 1.189 7.005 137 HH11 ARG 18 HH11 ARG 18 7.360 0.316 7.715 138 HH12 ARG 18 HH12 ARG 18 6.859 -0.795 8.943 139 HH21 ARG 18 HH21 ARG 18 3.416 -0.433 8.550 140 HH22 ARG 18 HH22 ARG 18 4.672 -1.250 9.390 141 H MET 19 H MET 19 6.136 5.794 4.360 142 HA MET 19 HA MET 19 5.879 7.317 1.869 143 HB2 MET 19 HB2 MET 19 4.335 8.497 3.314 144 HB3 MET 19 HB3 MET 19 5.515 8.540 4.635 145 HG2 MET 19 HG2 MET 19 7.027 9.902 3.233 146 HG3 MET 19 HG3 MET 19 5.855 9.862 1.912 147 HE1 MET 19 HE1 MET 19 4.006 11.403 1.574 148 HE2 MET 19 HE2 MET 19 3.072 10.639 2.890 149 HE3 MET 19 HE3 MET 19 3.229 12.405 2.811 150 H GLU 20 H GLU 20 7.819 7.978 1.175 151 HA GLU 20 HA GLU 20 10.248 6.965 2.305 152 HB2 GLU 20 HB2 GLU 20 9.760 9.085 0.160 153 HB3 GLU 20 HB3 GLU 20 11.330 8.421 0.605 154 HG2 GLU 20 HG2 GLU 20 9.737 6.170 0.145 155 HG3 GLU 20 HG3 GLU 20 9.233 7.288 -1.119 156 H ARG 21 H ARG 21 11.085 7.821 4.272 157 HA ARG 21 HA ARG 21 10.399 10.466 5.098 158 HB2 ARG 21 HB2 ARG 21 11.141 8.431 6.520 159 HB3 ARG 21 HB3 ARG 21 12.794 8.843 6.051 160 HG2 ARG 21 HG2 ARG 21 12.389 9.770 8.202 161 HG3 ARG 21 HG3 ARG 21 12.438 11.124 7.088 162 HD2 ARG 21 HD2 ARG 21 9.892 11.075 7.038 163 HD3 ARG 21 HD3 ARG 21 9.946 9.821 8.291 164 HE ARG 21 HE ARG 21 11.526 12.159 8.941 165 HH11 ARG 21 HH11 ARG 21 8.108 11.151 9.041 166 HH12 ARG 21 HH12 ARG 21 7.607 12.584 9.838 167 HH21 ARG 21 HH21 ARG 21 10.951 13.903 9.921 168 HH22 ARG 21 HH22 ARG 21 9.320 14.330 10.316 169 H SER 22 H SER 22 12.733 9.386 2.831 170 HA SER 22 HA SER 22 14.790 11.275 3.004 171 HB2 SER 22 HB2 SER 22 13.623 10.156 0.418 172 HB3 SER 22 HB3 SER 22 15.302 10.605 0.747 173 HG SER 22 HG SER 22 14.561 8.269 0.791 174 H SER 23 H SER 23 11.748 11.403 1.043 175 HA SER 23 HA SER 23 11.971 14.368 1.049 176 HB2 SER 23 HB2 SER 23 11.432 12.609 -1.361 177 HB3 SER 23 HB3 SER 23 11.362 14.377 -1.326 178 HG SER 23 HG SER 23 13.443 14.381 -1.603 179 H GLY 24 H GLY 24 9.841 11.594 1.385 180 HA2 GLY 24 HA2 GLY 24 7.798 11.805 2.445 181 HA3 GLY 24 HA3 GLY 24 7.604 13.463 1.878 182 H ARG 25 H ARG 25 8.307 10.298 0.120 183 HA ARG 25 HA ARG 25 6.012 10.975 -1.643 184 HB2 ARG 25 HB2 ARG 25 8.446 10.892 -2.539 185 HB3 ARG 25 HB3 ARG 25 8.329 9.152 -2.329 186 HG2 ARG 25 HG2 ARG 25 7.733 9.549 -4.588 187 HG3 ARG 25 HG3 ARG 25 6.193 9.263 -3.760 188 HD2 ARG 25 HD2 ARG 25 5.776 11.700 -3.675 189 HD3 ARG 25 HD3 ARG 25 7.354 12.014 -4.381 190 HE ARG 25 HE ARG 25 5.977 10.278 -6.123 191 HH11 ARG 25 HH11 ARG 25 5.683 13.668 -5.056 192 HH12 ARG 25 HH12 ARG 25 5.305 14.235 -6.665 193 HH21 ARG 25 HH21 ARG 25 5.426 11.074 -8.155 194 HH22 ARG 25 HH22 ARG 25 4.990 12.726 -8.400 195 H VAL 26 H VAL 26 4.362 9.563 -1.609 196 HA VAL 26 HA VAL 26 4.317 7.476 0.397 197 HB VAL 26 HB VAL 26 2.262 8.237 -1.723 198 HG11 VAL 26 HG11 VAL 26 0.691 7.254 -0.062 199 HG12 VAL 26 HG12 VAL 26 1.776 6.049 -0.752 200 HG13 VAL 26 HG13 VAL 26 2.093 6.653 0.877 201 HG21 VAL 26 HG21 VAL 26 1.213 9.547 0.148 202 HG22 VAL 26 HG22 VAL 26 2.641 9.199 1.155 203 HG23 VAL 26 HG23 VAL 26 2.781 10.198 -0.313 204 H TYR 27 H TYR 27 4.151 5.207 0.053 205 HA TYR 27 HA TYR 27 4.205 4.090 -2.574 206 HB2 TYR 27 HB2 TYR 27 6.374 3.113 -2.541 207 HB3 TYR 27 HB3 TYR 27 6.610 4.820 -2.256 208 HD1 TYR 27 HD2 TYR 27 6.978 5.623 0.177 209 HD2 TYR 27 HD1 TYR 27 7.339 1.530 -1.090 210 HE1 TYR 27 HE2 TYR 27 8.277 5.098 2.215 211 HE2 TYR 27 HE1 TYR 27 8.534 0.970 0.984 212 HH TYR 27 HH TYR 27 9.350 3.480 3.455 213 H TYR 28 H TYR 28 4.789 1.532 -2.048 214 HA TYR 28 HA TYR 28 3.341 0.792 0.436 215 HB2 TYR 28 HB2 TYR 28 3.289 -0.674 -2.218 216 HB3 TYR 28 HB3 TYR 28 2.405 -1.061 -0.759 217 HD1 TYR 28 HD1 TYR 28 0.936 1.044 0.171 218 HD2 TYR 28 HD2 TYR 28 2.075 0.382 -3.914 219 HE1 TYR 28 HE1 TYR 28 -0.951 2.447 -0.544 220 HE2 TYR 28 HE2 TYR 28 0.168 1.773 -4.665 221 HH TYR 28 HH TYR 28 -1.632 3.006 -4.088 222 H PHE 29 H PHE 29 4.136 -1.049 1.516 223 HA PHE 29 HA PHE 29 6.702 -2.217 0.530 224 HB2 PHE 29 HB2 PHE 29 7.120 -0.365 2.178 225 HB3 PHE 29 HB3 PHE 29 6.218 -1.283 3.374 226 HD1 PHE 29 HD2 PHE 29 7.088 -3.512 4.180 227 HD2 PHE 29 HD1 PHE 29 9.320 -1.095 1.375 228 HE1 PHE 29 HE2 PHE 29 9.116 -4.912 4.539 229 HE2 PHE 29 HE1 PHE 29 11.339 -2.455 1.802 230 HZ PHE 29 HZ PHE 29 11.253 -4.324 3.387 231 H ASN 30 H ASN 30 6.702 -4.303 0.629 232 HA ASN 30 HA ASN 30 4.525 -5.744 2.101 233 HB2 ASN 30 HB2 ASN 30 4.991 -6.203 -0.350 234 HB3 ASN 30 HB3 ASN 30 6.466 -7.001 0.162 235 HD21 ASN 30 HD21 ASN 30 4.256 -8.426 -1.139 236 HD22 ASN 30 HD22 ASN 30 3.517 -9.440 0.078 237 H HIS 31 H HIS 31 5.118 -6.252 4.264 238 HA HIS 31 HA HIS 31 7.904 -6.643 4.934 239 HB2 HIS 31 HB2 HIS 31 7.166 -7.067 7.139 240 HB3 HIS 31 HB3 HIS 31 6.152 -5.786 6.511 241 HD1 HIS 31 HD1 HIS 31 5.982 -9.516 7.484 242 HD2 HIS 31 HD2 HIS 31 3.500 -6.280 6.401 243 HE1 HIS 31 HE1 HIS 31 3.601 -10.315 7.741 244 H ILE 32 H ILE 32 5.510 -8.777 3.638 245 HA ILE 32 HA ILE 32 6.423 -11.220 4.888 246 HB ILE 32 HB ILE 32 4.794 -10.651 2.395 247 HG12 ILE 32 HG12 ILE 32 4.178 -11.644 5.222 248 HG13 ILE 32 HG13 ILE 32 3.727 -10.092 4.517 249 HG21 ILE 32 HG21 ILE 32 5.457 -13.386 3.486 250 HG22 ILE 32 HG22 ILE 32 4.223 -13.031 2.246 251 HG23 ILE 32 HG23 ILE 32 5.901 -12.713 1.893 252 HD11 ILE 32 HD11 ILE 32 1.754 -11.433 4.543 253 HD12 ILE 32 HD12 ILE 32 2.288 -11.391 2.856 254 HD13 ILE 32 HD13 ILE 32 2.598 -12.824 3.871 255 H THR 33 H THR 33 7.265 -9.555 1.867 256 HA THR 33 HA THR 33 9.551 -11.474 1.603 257 HB THR 33 HB THR 33 7.674 -11.897 0.073 258 HG1 THR 33 HG1 THR 33 9.266 -12.656 -0.897 259 HG21 THR 33 HG21 THR 33 8.369 -9.252 -1.163 260 HG22 THR 33 HG22 THR 33 6.850 -9.617 -0.318 261 HG23 THR 33 HG23 THR 33 7.247 -10.440 -1.842 262 H ASN 34 H ASN 34 8.974 -8.482 2.667 263 HA ASN 34 HA ASN 34 10.186 -6.613 2.907 264 HB2 ASN 34 HB2 ASN 34 11.906 -8.510 3.449 265 HB3 ASN 34 HB3 ASN 34 12.619 -8.092 1.900 266 HD21 ASN 34 HD21 ASN 34 11.638 -6.786 5.079 267 HD22 ASN 34 HD22 ASN 34 12.862 -5.542 5.173 268 H ALA 35 H ALA 35 8.790 -6.985 0.541 269 HA ALA 35 HA ALA 35 10.403 -5.742 -1.639 270 HB1 ALA 35 HB1 ALA 35 7.652 -7.104 -1.645 271 HB2 ALA 35 HB2 ALA 35 8.353 -6.285 -3.037 272 HB3 ALA 35 HB3 ALA 35 9.175 -7.689 -2.381 273 H SER 36 H SER 36 8.876 -4.202 -2.963 274 HA SER 36 HA SER 36 7.075 -2.555 -1.470 275 HB2 SER 36 HB2 SER 36 8.403 -0.610 -1.376 276 HB3 SER 36 HB3 SER 36 9.427 -1.916 -0.805 277 HG SER 36 HG SER 36 10.719 -1.773 -2.434 278 H GLN 37 H GLN 37 6.154 -0.804 -2.884 279 HA GLN 37 HA GLN 37 6.868 -0.707 -5.598 280 HB2 GLN 37 HB2 GLN 37 5.031 -2.841 -5.016 281 HB3 GLN 37 HB3 GLN 37 4.056 -1.577 -5.738 282 HG2 GLN 37 HG2 GLN 37 6.623 -2.621 -7.008 283 HG3 GLN 37 HG3 GLN 37 5.032 -3.306 -7.324 284 HE21 GLN 37 HE21 GLN 37 3.661 -2.284 -8.850 285 HE22 GLN 37 HE22 GLN 37 4.128 -0.825 -9.688 286 H TRP 38 H TRP 38 5.226 0.797 -6.780 287 HA TRP 38 HA TRP 38 4.190 2.756 -4.785 288 HB2 TRP 38 HB2 TRP 38 4.720 3.193 -7.718 289 HB3 TRP 38 HB3 TRP 38 4.432 4.402 -6.469 290 HD1 TRP 38 HD1 TRP 38 7.026 1.787 -7.483 291 HE1 TRP 38 HE1 TRP 38 9.366 2.500 -6.698 292 HE3 TRP 38 HE3 TRP 38 5.697 5.874 -4.794 293 HZ2 TRP 38 HZ2 TRP 38 10.505 4.656 -5.094 294 HZ3 TRP 38 HZ3 TRP 38 7.408 7.236 -3.607 295 HH2 TRP 38 HH2 TRP 38 9.818 6.666 -3.793 296 H GLU 39 H GLU 39 3.166 0.546 -7.217 297 HA GLU 39 HA GLU 39 0.500 1.774 -7.597 298 HB2 GLU 39 HB2 GLU 39 1.699 -0.765 -8.758 299 HB3 GLU 39 HB3 GLU 39 0.208 0.019 -9.279 300 HG2 GLU 39 HG2 GLU 39 1.379 1.874 -10.222 301 HG3 GLU 39 HG3 GLU 39 2.891 1.468 -9.430 302 H ARG 40 H ARG 40 -1.464 0.553 -7.075 303 HA ARG 40 HA ARG 40 -1.503 -0.650 -4.568 304 HB2 ARG 40 HB2 ARG 40 -3.427 -0.507 -6.864 305 HB3 ARG 40 HB3 ARG 40 -3.820 -1.506 -5.470 306 HG2 ARG 40 HG2 ARG 40 -3.730 0.293 -3.923 307 HG3 ARG 40 HG3 ARG 40 -3.016 1.390 -5.110 308 HD2 ARG 40 HD2 ARG 40 -5.790 0.150 -5.329 309 HD3 ARG 40 HD3 ARG 40 -5.460 1.778 -4.736 310 HE ARG 40 HE ARG 40 -5.022 0.742 -7.503 311 HH11 ARG 40 HH11 ARG 40 -5.813 3.574 -5.530 312 HH12 ARG 40 HH12 ARG 40 -5.127 4.721 -6.652 313 HH21 ARG 40 HH21 ARG 40 -4.376 2.194 -9.037 314 HH22 ARG 40 HH22 ARG 40 -4.690 3.903 -8.886 315 HA PRO 41 HA PRO 41 -0.139 -4.798 -5.894 316 HB2 PRO 41 HB2 PRO 41 0.488 -5.781 -3.435 317 HB3 PRO 41 HB3 PRO 41 1.528 -4.589 -4.239 318 HG2 PRO 41 HG2 PRO 41 -0.621 -4.091 -2.154 319 HG3 PRO 41 HG3 PRO 41 1.043 -3.453 -2.161 320 HD2 PRO 41 HD2 PRO 41 -1.060 -2.000 -3.056 321 HD3 PRO 41 HD3 PRO 41 0.557 -1.896 -3.799 322 H SER 42 H SER 42 -0.791 -7.067 -4.885 323 HA SER 42 HA SER 42 -3.354 -7.109 -3.516 324 HB2 SER 42 HB2 SER 42 -3.664 -6.687 -6.108 325 HB3 SER 42 HB3 SER 42 -3.433 -8.429 -6.215 326 HG SER 42 HG SER 42 -5.599 -7.708 -5.953 327 H GLY 43 H GLY 43 -1.776 -8.058 -2.088 328 HA2 GLY 43 HA2 GLY 43 -1.412 -9.982 -0.810 329 HA3 GLY 43 HA3 GLY 43 -1.771 -10.995 -2.218 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.984 9.135 -9.438 2 HA2 GLY 1 HA2 GLY 1 -10.211 10.787 -7.310 3 HA3 GLY 1 HA3 GLY 1 -11.122 9.705 -8.380 4 H LEU 2 H LEU 2 -11.567 9.190 -5.817 5 HA LEU 2 HA LEU 2 -10.311 6.632 -5.419 6 HB2 LEU 2 HB2 LEU 2 -9.549 6.874 -3.255 7 HB3 LEU 2 HB3 LEU 2 -8.821 8.186 -4.144 8 HG LEU 2 HG LEU 2 -11.261 8.495 -2.324 9 HD11 LEU 2 HD11 LEU 2 -8.310 8.981 -1.735 10 HD12 LEU 2 HD12 LEU 2 -9.308 7.690 -1.048 11 HD13 LEU 2 HD13 LEU 2 -9.653 9.385 -0.653 12 HD21 LEU 2 HD21 LEU 2 -10.572 10.901 -2.299 13 HD22 LEU 2 HD22 LEU 2 -11.088 10.344 -3.884 14 HD23 LEU 2 HD23 LEU 2 -9.349 10.543 -3.539 15 H GLU 3 H GLU 3 -11.448 5.593 -3.350 16 HA GLU 3 HA GLU 3 -14.381 6.134 -3.592 17 HB2 GLU 3 HB2 GLU 3 -12.814 3.530 -3.278 18 HB3 GLU 3 HB3 GLU 3 -14.555 3.670 -3.029 19 HG2 GLU 3 HG2 GLU 3 -14.832 4.463 -5.358 20 HG3 GLU 3 HG3 GLU 3 -13.097 4.259 -5.640 21 H HIS 4 H HIS 4 -15.586 5.928 -1.651 22 HA HIS 4 HA HIS 4 -14.058 6.431 0.819 23 HB2 HIS 4 HB2 HIS 4 -16.831 6.889 -0.152 24 HB3 HIS 4 HB3 HIS 4 -16.697 6.426 1.529 25 HD1 HIS 4 HD1 HIS 4 -14.947 8.037 3.047 26 HD2 HIS 4 HD2 HIS 4 -16.326 9.446 -0.682 27 HE1 HIS 4 HE1 HIS 4 -14.609 10.549 3.060 28 H MET 5 H MET 5 -16.669 4.162 -0.234 29 HA MET 5 HA MET 5 -15.725 2.217 1.816 30 HB2 MET 5 HB2 MET 5 -18.395 2.548 0.400 31 HB3 MET 5 HB3 MET 5 -17.965 1.142 1.392 32 HG2 MET 5 HG2 MET 5 -17.536 2.592 3.321 33 HG3 MET 5 HG3 MET 5 -17.971 4.017 2.381 34 HE1 MET 5 HE1 MET 5 -20.211 4.567 1.507 35 HE2 MET 5 HE2 MET 5 -20.642 3.018 0.767 36 HE3 MET 5 HE3 MET 5 -21.743 3.775 1.939 37 H ALA 6 H ALA 6 -14.207 0.930 0.919 38 HA ALA 6 HA ALA 6 -14.904 -0.595 -1.480 39 HB1 ALA 6 HB1 ALA 6 -12.704 -0.099 -2.534 40 HB2 ALA 6 HB2 ALA 6 -13.676 1.361 -2.386 41 HB3 ALA 6 HB3 ALA 6 -12.340 1.070 -1.244 42 H ASP 7 H ASP 7 -13.025 -2.195 -1.783 43 HA ASP 7 HA ASP 7 -12.080 -3.251 0.831 44 HB2 ASP 7 HB2 ASP 7 -12.482 -5.399 0.161 45 HB3 ASP 7 HB3 ASP 7 -13.937 -4.533 -0.323 46 H GLU 8 H GLU 8 -11.109 -1.793 -2.052 47 HA GLU 8 HA GLU 8 -8.854 -3.288 -2.761 48 HB2 GLU 8 HB2 GLU 8 -8.121 -1.399 -3.977 49 HB3 GLU 8 HB3 GLU 8 -9.871 -1.491 -4.131 50 HG2 GLU 8 HG2 GLU 8 -10.164 0.320 -2.507 51 HG3 GLU 8 HG3 GLU 8 -8.428 0.372 -2.185 52 H GLU 9 H GLU 9 -9.398 -1.381 0.005 53 HA GLU 9 HA GLU 9 -6.651 -0.651 0.672 54 HB2 GLU 9 HB2 GLU 9 -9.324 -0.778 2.136 55 HB3 GLU 9 HB3 GLU 9 -7.821 -0.491 3.024 56 HG2 GLU 9 HG2 GLU 9 -7.442 1.417 1.271 57 HG3 GLU 9 HG3 GLU 9 -9.195 1.315 1.053 58 H LYS 10 H LYS 10 -8.388 -3.632 0.767 59 HA LYS 10 HA LYS 10 -7.017 -4.713 3.139 60 HB2 LYS 10 HB2 LYS 10 -8.743 -6.112 1.070 61 HB3 LYS 10 HB3 LYS 10 -8.291 -6.736 2.641 62 HG2 LYS 10 HG2 LYS 10 -10.092 -4.296 2.204 63 HG3 LYS 10 HG3 LYS 10 -10.639 -5.941 2.383 64 HD2 LYS 10 HD2 LYS 10 -10.980 -4.830 4.450 65 HD3 LYS 10 HD3 LYS 10 -9.740 -6.042 4.670 66 HE2 LYS 10 HE2 LYS 10 -9.269 -3.983 5.913 67 HE3 LYS 10 HE3 LYS 10 -8.000 -4.330 4.745 68 HZ1 LYS 10 HZ1 LYS 10 -8.934 -2.668 3.310 69 HZ2 LYS 10 HZ2 LYS 10 -8.629 -2.013 4.776 70 HZ3 LYS 10 HZ3 LYS 10 -10.181 -2.351 4.327 71 H LEU 11 H LEU 11 -4.895 -4.007 2.169 72 HA LEU 11 HA LEU 11 -3.792 -5.192 -0.081 73 HB2 LEU 11 HB2 LEU 11 -2.647 -4.136 2.514 74 HB3 LEU 11 HB3 LEU 11 -1.555 -5.000 1.465 75 HG LEU 11 HG LEU 11 -1.467 -2.588 1.098 76 HD11 LEU 11 HD11 LEU 11 -1.738 -2.541 -1.388 77 HD12 LEU 11 HD12 LEU 11 -2.586 -4.058 -1.343 78 HD13 LEU 11 HD13 LEU 11 -0.884 -3.971 -0.812 79 HD21 LEU 11 HD21 LEU 11 -3.374 -1.370 0.077 80 HD22 LEU 11 HD22 LEU 11 -3.786 -2.020 1.665 81 HD23 LEU 11 HD23 LEU 11 -4.369 -2.782 0.155 82 HA PRO 12 HA PRO 12 -3.362 -9.447 0.795 83 HB2 PRO 12 HB2 PRO 12 -0.936 -10.040 -0.434 84 HB3 PRO 12 HB3 PRO 12 -2.515 -9.902 -1.294 85 HG2 PRO 12 HG2 PRO 12 -0.233 -7.953 -1.055 86 HG3 PRO 12 HG3 PRO 12 -1.324 -8.196 -2.440 87 HD2 PRO 12 HD2 PRO 12 -1.504 -6.136 -0.643 88 HD3 PRO 12 HD3 PRO 12 -2.878 -6.756 -1.583 89 HA PRO 13 HA PRO 13 -0.558 -10.009 4.091 90 HB2 PRO 13 HB2 PRO 13 0.354 -12.565 3.936 91 HB3 PRO 13 HB3 PRO 13 -1.341 -12.159 4.314 92 HG2 PRO 13 HG2 PRO 13 -0.252 -12.895 1.598 93 HG3 PRO 13 HG3 PRO 13 -1.660 -13.584 2.478 94 HD2 PRO 13 HD2 PRO 13 -1.990 -11.649 0.646 95 HD3 PRO 13 HD3 PRO 13 -2.949 -11.610 2.138 96 H GLY 14 H GLY 14 1.489 -9.767 4.495 97 HA2 GLY 14 HA2 GLY 14 3.850 -9.616 4.221 98 HA3 GLY 14 HA3 GLY 14 3.650 -9.975 2.505 99 H TRP 15 H TRP 15 1.487 -7.989 2.044 100 HA TRP 15 HA TRP 15 3.233 -5.656 1.826 101 HB2 TRP 15 HB2 TRP 15 0.546 -6.368 0.630 102 HB3 TRP 15 HB3 TRP 15 1.360 -4.833 0.376 103 HD1 TRP 15 HD1 TRP 15 1.838 -8.579 -0.448 104 HE1 TRP 15 HE1 TRP 15 3.371 -8.767 -2.438 105 HE3 TRP 15 HE3 TRP 15 3.348 -3.725 -0.688 106 HZ2 TRP 15 HZ2 TRP 15 5.294 -7.075 -3.813 107 HZ3 TRP 15 HZ3 TRP 15 4.992 -3.001 -2.380 108 HH2 TRP 15 HH2 TRP 15 6.072 -4.655 -3.893 109 H GLU 16 H GLU 16 2.681 -3.624 2.522 110 HA GLU 16 HA GLU 16 0.414 -3.251 4.406 111 HB2 GLU 16 HB2 GLU 16 3.424 -2.745 4.713 112 HB3 GLU 16 HB3 GLU 16 2.258 -1.845 5.667 113 HG2 GLU 16 HG2 GLU 16 2.069 -4.857 5.682 114 HG3 GLU 16 HG3 GLU 16 3.377 -4.069 6.587 115 H LYS 17 H LYS 17 -0.648 -1.429 3.969 116 HA LYS 17 HA LYS 17 0.371 0.430 1.907 117 HB2 LYS 17 HB2 LYS 17 -1.929 -0.276 1.804 118 HB3 LYS 17 HB3 LYS 17 -2.212 0.182 3.490 119 HG2 LYS 17 HG2 LYS 17 -1.849 2.575 2.913 120 HG3 LYS 17 HG3 LYS 17 -1.622 2.144 1.224 121 HD2 LYS 17 HD2 LYS 17 -3.920 1.314 1.047 122 HD3 LYS 17 HD3 LYS 17 -4.136 1.340 2.790 123 HE2 LYS 17 HE2 LYS 17 -3.972 3.809 2.806 124 HE3 LYS 17 HE3 LYS 17 -3.695 3.782 1.055 125 HZ1 LYS 17 HZ1 LYS 17 -5.939 4.325 1.515 126 HZ2 LYS 17 HZ2 LYS 17 -6.231 2.970 2.353 127 HZ3 LYS 17 HZ3 LYS 17 -5.865 2.902 0.719 128 H ARG 18 H ARG 18 1.704 2.000 2.528 129 HA ARG 18 HA ARG 18 1.357 3.214 5.234 130 HB2 ARG 18 HB2 ARG 18 4.006 2.732 3.827 131 HB3 ARG 18 HB3 ARG 18 3.808 3.397 5.412 132 HG2 ARG 18 HG2 ARG 18 2.741 0.585 4.985 133 HG3 ARG 18 HG3 ARG 18 4.486 0.828 5.034 134 HD2 ARG 18 HD2 ARG 18 4.429 1.830 7.128 135 HD3 ARG 18 HD3 ARG 18 2.666 2.028 7.144 136 HE ARG 18 HE ARG 18 2.564 -0.489 7.196 137 HH11 ARG 18 HH11 ARG 18 5.276 1.252 8.754 138 HH12 ARG 18 HH12 ARG 18 5.624 -0.073 9.825 139 HH21 ARG 18 HH21 ARG 18 3.047 -2.195 8.733 140 HH22 ARG 18 HH22 ARG 18 4.435 -1.998 9.745 141 H MET 19 H MET 19 2.979 5.283 5.050 142 HA MET 19 HA MET 19 2.478 6.708 2.532 143 HB2 MET 19 HB2 MET 19 0.592 7.253 4.001 144 HB3 MET 19 HB3 MET 19 1.704 7.662 5.318 145 HG2 MET 19 HG2 MET 19 2.587 9.540 4.027 146 HG3 MET 19 HG3 MET 19 1.605 9.083 2.637 147 HE1 MET 19 HE1 MET 19 0.178 9.118 6.433 148 HE2 MET 19 HE2 MET 19 1.475 10.345 6.390 149 HE3 MET 19 HE3 MET 19 -0.227 10.837 6.544 150 H GLU 20 H GLU 20 4.060 8.139 2.029 151 HA GLU 20 HA GLU 20 6.667 7.871 3.341 152 HB2 GLU 20 HB2 GLU 20 5.635 9.642 1.049 153 HB3 GLU 20 HB3 GLU 20 7.296 9.629 1.645 154 HG2 GLU 20 HG2 GLU 20 6.884 6.983 1.270 155 HG3 GLU 20 HG3 GLU 20 5.862 7.616 -0.018 156 H ARG 21 H ARG 21 7.141 9.141 5.186 157 HA ARG 21 HA ARG 21 5.278 11.295 5.818 158 HB2 ARG 21 HB2 ARG 21 6.564 11.789 7.763 159 HB3 ARG 21 HB3 ARG 21 6.119 10.096 7.682 160 HG2 ARG 21 HG2 ARG 21 8.886 11.053 6.826 161 HG3 ARG 21 HG3 ARG 21 8.448 10.785 8.510 162 HD2 ARG 21 HD2 ARG 21 7.735 8.422 7.863 163 HD3 ARG 21 HD3 ARG 21 8.504 8.710 6.294 164 HE ARG 21 HE ARG 21 10.191 9.390 8.534 165 HH11 ARG 21 HH11 ARG 21 9.060 6.572 6.664 166 HH12 ARG 21 HH12 ARG 21 10.433 5.594 7.130 167 HH21 ARG 21 HH21 ARG 21 11.998 8.144 9.016 168 HH22 ARG 21 HH22 ARG 21 12.171 6.530 8.379 169 H SER 22 H SER 22 8.340 11.096 4.173 170 HA SER 22 HA SER 22 9.349 13.680 4.334 171 HB2 SER 22 HB2 SER 22 10.348 12.995 2.037 172 HB3 SER 22 HB3 SER 22 10.715 11.988 3.449 173 HG SER 22 HG SER 22 9.880 10.984 1.318 174 H SER 23 H SER 23 6.799 12.479 2.174 175 HA SER 23 HA SER 23 6.293 15.286 1.296 176 HB2 SER 23 HB2 SER 23 6.311 12.851 -0.527 177 HB3 SER 23 HB3 SER 23 5.894 14.501 -0.993 178 HG SER 23 HG SER 23 8.058 15.080 -0.307 179 H GLY 24 H GLY 24 4.987 12.117 2.301 180 HA2 GLY 24 HA2 GLY 24 2.858 11.791 3.101 181 HA3 GLY 24 HA3 GLY 24 2.357 13.382 2.504 182 H ARG 25 H ARG 25 3.638 10.223 1.139 183 HA ARG 25 HA ARG 25 1.496 10.413 -0.924 184 HB2 ARG 25 HB2 ARG 25 3.992 10.984 -1.632 185 HB3 ARG 25 HB3 ARG 25 4.215 9.247 -1.531 186 HG2 ARG 25 HG2 ARG 25 3.667 9.592 -3.780 187 HG3 ARG 25 HG3 ARG 25 2.151 9.041 -3.077 188 HD2 ARG 25 HD2 ARG 25 1.877 10.937 -4.689 189 HD3 ARG 25 HD3 ARG 25 1.248 11.286 -3.080 190 HE ARG 25 HE ARG 25 2.698 13.004 -2.858 191 HH11 ARG 25 HH11 ARG 25 3.964 11.090 -5.581 192 HH12 ARG 25 HH12 ARG 25 5.477 11.879 -5.633 193 HH21 ARG 25 HH21 ARG 25 4.432 14.260 -3.115 194 HH22 ARG 25 HH22 ARG 25 5.707 13.936 -4.262 195 H VAL 26 H VAL 26 0.289 8.546 -0.917 196 HA VAL 26 HA VAL 26 0.966 6.507 1.036 197 HB VAL 26 HB VAL 26 -1.305 6.463 -0.992 198 HG11 VAL 26 HG11 VAL 26 -2.426 5.144 0.746 199 HG12 VAL 26 HG12 VAL 26 -0.948 4.335 0.222 200 HG13 VAL 26 HG13 VAL 26 -0.979 5.209 1.771 201 HG21 VAL 26 HG21 VAL 26 -2.654 7.424 1.001 202 HG22 VAL 26 HG22 VAL 26 -1.087 7.921 1.672 203 HG23 VAL 26 HG23 VAL 26 -1.642 8.529 0.089 204 H TYR 27 H TYR 27 1.446 4.265 0.515 205 HA TYR 27 HA TYR 27 1.780 3.430 -2.229 206 HB2 TYR 27 HB2 TYR 27 4.125 3.157 -2.272 207 HB3 TYR 27 HB3 TYR 27 3.853 4.833 -1.862 208 HD1 TYR 27 HD2 TYR 27 3.950 5.433 0.740 209 HD2 TYR 27 HD1 TYR 27 5.636 1.897 -1.062 210 HE1 TYR 27 HE2 TYR 27 5.457 5.154 2.698 211 HE2 TYR 27 HE1 TYR 27 7.106 1.591 0.889 212 HH TYR 27 HH TYR 27 8.049 2.723 2.708 213 H TYR 28 H TYR 28 3.035 1.123 -2.062 214 HA TYR 28 HA TYR 28 2.028 -0.261 0.362 215 HB2 TYR 28 HB2 TYR 28 2.342 -1.344 -2.460 216 HB3 TYR 28 HB3 TYR 28 1.668 -2.147 -1.040 217 HD1 TYR 28 HD1 TYR 28 -0.219 -0.539 0.171 218 HD2 TYR 28 HD2 TYR 28 0.662 -0.656 -4.027 219 HE1 TYR 28 HE1 TYR 28 -2.438 0.435 -0.318 220 HE2 TYR 28 HE2 TYR 28 -1.595 0.218 -4.541 221 HH TYR 28 HH TYR 28 -3.894 0.694 -3.447 222 H PHE 29 H PHE 29 3.436 -1.683 1.368 223 HA PHE 29 HA PHE 29 6.230 -1.900 0.357 224 HB2 PHE 29 HB2 PHE 29 6.074 -0.125 2.039 225 HB3 PHE 29 HB3 PHE 29 5.223 -1.199 3.141 226 HD1 PHE 29 HD1 PHE 29 8.462 -0.397 1.572 227 HD2 PHE 29 HD2 PHE 29 6.416 -3.071 4.256 228 HE1 PHE 29 HE1 PHE 29 10.630 -1.134 2.473 229 HE2 PHE 29 HE2 PHE 29 8.617 -3.849 5.131 230 HZ PHE 29 HZ PHE 29 10.693 -2.792 4.357 231 H ASN 30 H ASN 30 6.952 -3.942 0.431 232 HA ASN 30 HA ASN 30 5.275 -6.021 1.718 233 HB2 ASN 30 HB2 ASN 30 6.008 -6.190 -0.643 234 HB3 ASN 30 HB3 ASN 30 7.641 -6.519 -0.073 235 HD21 ASN 30 HD21 ASN 30 5.903 -8.377 -1.595 236 HD22 ASN 30 HD22 ASN 30 5.683 -9.756 -0.559 237 H HIS 31 H HIS 31 5.829 -6.311 3.855 238 HA HIS 31 HA HIS 31 8.503 -5.868 4.870 239 HB2 HIS 31 HB2 HIS 31 7.694 -6.677 6.977 240 HB3 HIS 31 HB3 HIS 31 6.486 -5.616 6.262 241 HD1 HIS 31 HD1 HIS 31 7.011 -9.418 7.036 242 HD2 HIS 31 HD2 HIS 31 4.094 -6.628 5.809 243 HE1 HIS 31 HE1 HIS 31 4.802 -10.595 7.204 244 H ILE 32 H ILE 32 7.178 -8.534 3.207 245 HA ILE 32 HA ILE 32 8.721 -10.624 4.449 246 HB ILE 32 HB ILE 32 7.612 -10.436 1.612 247 HG12 ILE 32 HG12 ILE 32 6.560 -12.127 3.922 248 HG13 ILE 32 HG13 ILE 32 5.975 -10.495 3.610 249 HG21 ILE 32 HG21 ILE 32 7.922 -12.880 1.426 250 HG22 ILE 32 HG22 ILE 32 9.420 -11.998 1.505 251 HG23 ILE 32 HG23 ILE 32 8.826 -12.860 2.958 252 HD11 ILE 32 HD11 ILE 32 4.456 -12.089 2.610 253 HD12 ILE 32 HD12 ILE 32 5.262 -11.166 1.325 254 HD13 ILE 32 HD13 ILE 32 5.749 -12.839 1.675 255 H THR 33 H THR 33 9.337 -8.423 1.697 256 HA THR 33 HA THR 33 12.186 -9.265 2.003 257 HB THR 33 HB THR 33 10.961 -10.440 0.140 258 HG1 THR 33 HG1 THR 33 13.287 -9.230 -0.828 259 HG21 THR 33 HG21 THR 33 10.905 -9.409 -2.024 260 HG22 THR 33 HG22 THR 33 11.475 -7.864 -1.355 261 HG23 THR 33 HG23 THR 33 9.874 -8.517 -0.895 262 H ASN 34 H ASN 34 10.254 -6.792 2.440 263 HA ASN 34 HA ASN 34 10.704 -4.629 2.910 264 HB2 ASN 34 HB2 ASN 34 13.092 -5.552 3.386 265 HB3 ASN 34 HB3 ASN 34 13.534 -4.793 1.859 266 HD21 ASN 34 HD21 ASN 34 12.882 -2.382 1.741 267 HD22 ASN 34 HD22 ASN 34 13.196 -1.429 3.195 268 H ALA 35 H ALA 35 9.878 -5.801 0.268 269 HA ALA 35 HA ALA 35 10.866 -3.936 -1.764 270 HB1 ALA 35 HB1 ALA 35 9.302 -5.080 -3.274 271 HB2 ALA 35 HB2 ALA 35 10.243 -6.284 -2.397 272 HB3 ALA 35 HB3 ALA 35 8.554 -5.945 -1.940 273 H SER 36 H SER 36 8.912 -2.916 -3.137 274 HA SER 36 HA SER 36 6.666 -2.030 -1.645 275 HB2 SER 36 HB2 SER 36 7.301 0.229 -1.305 276 HB3 SER 36 HB3 SER 36 8.637 -0.768 -0.780 277 HG SER 36 HG SER 36 8.725 1.167 -2.549 278 H GLN 37 H GLN 37 5.226 -0.630 -2.960 279 HA GLN 37 HA GLN 37 5.943 0.009 -5.585 280 HB2 GLN 37 HB2 GLN 37 4.619 -2.644 -5.221 281 HB3 GLN 37 HB3 GLN 37 3.597 -1.552 -6.149 282 HG2 GLN 37 HG2 GLN 37 6.316 -2.558 -6.875 283 HG3 GLN 37 HG3 GLN 37 4.814 -2.694 -7.778 284 HE21 GLN 37 HE21 GLN 37 7.719 -1.066 -7.668 285 HE22 GLN 37 HE22 GLN 37 7.304 0.504 -8.277 286 H TRP 38 H TRP 38 3.913 0.827 -6.789 287 HA TRP 38 HA TRP 38 2.182 2.314 -4.869 288 HB2 TRP 38 HB2 TRP 38 2.758 2.908 -7.783 289 HB3 TRP 38 HB3 TRP 38 1.932 3.944 -6.622 290 HD1 TRP 38 HD1 TRP 38 5.367 2.676 -7.636 291 HE1 TRP 38 HE1 TRP 38 7.190 4.228 -6.715 292 HE3 TRP 38 HE3 TRP 38 2.511 5.575 -4.472 293 HZ2 TRP 38 HZ2 TRP 38 7.423 6.318 -4.755 294 HZ3 TRP 38 HZ3 TRP 38 3.598 7.219 -3.013 295 HH2 TRP 38 HH2 TRP 38 6.037 7.636 -3.138 296 H GLU 39 H GLU 39 2.288 0.056 -7.613 297 HA GLU 39 HA GLU 39 -0.583 0.139 -8.084 298 HB2 GLU 39 HB2 GLU 39 -0.177 -1.660 -9.646 299 HB3 GLU 39 HB3 GLU 39 1.024 -0.398 -9.904 300 HG2 GLU 39 HG2 GLU 39 2.743 -1.725 -8.779 301 HG3 GLU 39 HG3 GLU 39 1.561 -2.955 -8.303 302 H ARG 40 H ARG 40 -2.025 -1.644 -7.604 303 HA ARG 40 HA ARG 40 -1.804 -2.684 -4.993 304 HB2 ARG 40 HB2 ARG 40 -3.621 -3.191 -7.340 305 HB3 ARG 40 HB3 ARG 40 -3.672 -4.306 -5.973 306 HG2 ARG 40 HG2 ARG 40 -4.230 -2.561 -4.422 307 HG3 ARG 40 HG3 ARG 40 -3.921 -1.311 -5.635 308 HD2 ARG 40 HD2 ARG 40 -6.372 -1.773 -5.295 309 HD3 ARG 40 HD3 ARG 40 -5.831 -1.998 -6.956 310 HE ARG 40 HE ARG 40 -6.419 -4.175 -6.881 311 HH11 ARG 40 HH11 ARG 40 -6.260 -3.104 -3.437 312 HH12 ARG 40 HH12 ARG 40 -6.868 -4.598 -2.857 313 HH21 ARG 40 HH21 ARG 40 -6.971 -6.192 -5.998 314 HH22 ARG 40 HH22 ARG 40 -7.643 -6.241 -4.393 315 HA PRO 41 HA PRO 41 0.788 -6.242 -6.239 316 HB2 PRO 41 HB2 PRO 41 1.518 -7.067 -3.748 317 HB3 PRO 41 HB3 PRO 41 2.188 -5.582 -4.455 318 HG2 PRO 41 HG2 PRO 41 -0.130 -5.856 -2.513 319 HG3 PRO 41 HG3 PRO 41 1.236 -4.708 -2.414 320 HD2 PRO 41 HD2 PRO 41 -1.193 -4.009 -3.435 321 HD3 PRO 41 HD3 PRO 41 0.351 -3.322 -4.023 322 H SER 42 H SER 42 0.754 -8.690 -5.328 323 HA SER 42 HA SER 42 -1.808 -9.437 -4.165 324 HB2 SER 42 HB2 SER 42 -2.402 -10.967 -5.937 325 HB3 SER 42 HB3 SER 42 -2.401 -9.300 -6.504 326 HG SER 42 HG SER 42 -0.787 -9.746 -7.879 327 H GLY 43 H GLY 43 -0.103 -9.742 -2.502 328 HA2 GLY 43 HA2 GLY 43 0.895 -11.291 -1.066 329 HA3 GLY 43 HA3 GLY 43 0.631 -12.558 -2.280 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -25.753 9.700 -8.089 2 HA2 GLY 1 HA2 GLY 1 -24.619 7.464 -7.691 3 HA3 GLY 1 HA3 GLY 1 -23.299 8.148 -8.654 4 H LEU 2 H LEU 2 -22.736 7.326 -6.111 5 HA LEU 2 HA LEU 2 -22.157 9.816 -4.681 6 HB2 LEU 2 HB2 LEU 2 -22.930 9.010 -2.606 7 HB3 LEU 2 HB3 LEU 2 -24.290 8.823 -3.698 8 HG LEU 2 HG LEU 2 -22.392 6.586 -2.758 9 HD11 LEU 2 HD11 LEU 2 -24.311 5.841 -1.416 10 HD12 LEU 2 HD12 LEU 2 -25.218 7.290 -1.912 11 HD13 LEU 2 HD13 LEU 2 -23.729 7.428 -0.936 12 HD21 LEU 2 HD21 LEU 2 -24.163 5.060 -3.614 13 HD22 LEU 2 HD22 LEU 2 -23.332 5.914 -4.898 14 HD23 LEU 2 HD23 LEU 2 -24.966 6.437 -4.392 15 H GLU 3 H GLU 3 -20.649 9.197 -2.793 16 HA GLU 3 HA GLU 3 -18.768 7.088 -3.672 17 HB2 GLU 3 HB2 GLU 3 -17.004 8.495 -2.623 18 HB3 GLU 3 HB3 GLU 3 -17.749 9.161 -4.060 19 HG2 GLU 3 HG2 GLU 3 -17.418 10.969 -2.590 20 HG3 GLU 3 HG3 GLU 3 -19.152 10.684 -2.659 21 H HIS 4 H HIS 4 -17.851 5.775 -2.078 22 HA HIS 4 HA HIS 4 -18.621 6.040 0.689 23 HB2 HIS 4 HB2 HIS 4 -19.670 3.792 0.767 24 HB3 HIS 4 HB3 HIS 4 -20.631 4.937 -0.145 25 HD1 HIS 4 HD1 HIS 4 -17.937 2.226 -1.134 26 HD2 HIS 4 HD2 HIS 4 -21.711 3.822 -2.155 27 HE1 HIS 4 HE1 HIS 4 -18.839 0.793 -3.004 28 H MET 5 H MET 5 -17.527 4.380 1.983 29 HA MET 5 HA MET 5 -14.849 3.989 1.007 30 HB2 MET 5 HB2 MET 5 -16.285 3.143 3.575 31 HB3 MET 5 HB3 MET 5 -14.582 2.799 3.258 32 HG2 MET 5 HG2 MET 5 -14.556 4.749 4.548 33 HG3 MET 5 HG3 MET 5 -14.192 5.240 2.896 34 HE1 MET 5 HE1 MET 5 -14.740 7.574 2.498 35 HE2 MET 5 HE2 MET 5 -15.874 8.503 3.492 36 HE3 MET 5 HE3 MET 5 -14.514 7.655 4.262 37 H ALA 6 H ALA 6 -13.731 1.918 1.189 38 HA ALA 6 HA ALA 6 -15.287 -0.514 0.534 39 HB1 ALA 6 HB1 ALA 6 -12.914 0.568 -1.053 40 HB2 ALA 6 HB2 ALA 6 -13.713 -0.993 -1.331 41 HB3 ALA 6 HB3 ALA 6 -14.595 0.508 -1.609 42 H ASP 7 H ASP 7 -13.364 -2.318 0.298 43 HA ASP 7 HA ASP 7 -11.647 -2.138 2.719 44 HB2 ASP 7 HB2 ASP 7 -12.022 -4.573 3.016 45 HB3 ASP 7 HB3 ASP 7 -13.466 -3.604 3.242 46 H GLU 8 H GLU 8 -11.716 -2.529 -0.654 47 HA GLU 8 HA GLU 8 -9.654 -4.337 -1.133 48 HB2 GLU 8 HB2 GLU 8 -9.564 -3.271 -3.324 49 HB3 GLU 8 HB3 GLU 8 -11.234 -3.470 -2.798 50 HG2 GLU 8 HG2 GLU 8 -11.316 -1.101 -2.089 51 HG3 GLU 8 HG3 GLU 8 -9.630 -0.878 -2.609 52 H GLU 9 H GLU 9 -9.478 -1.228 0.313 53 HA GLU 9 HA GLU 9 -6.804 -0.476 -0.395 54 HB2 GLU 9 HB2 GLU 9 -8.655 0.189 1.917 55 HB3 GLU 9 HB3 GLU 9 -7.046 0.851 1.827 56 HG2 GLU 9 HG2 GLU 9 -8.077 2.561 0.770 57 HG3 GLU 9 HG3 GLU 9 -7.841 1.549 -0.663 58 H LYS 10 H LYS 10 -7.912 -3.021 1.821 59 HA LYS 10 HA LYS 10 -5.484 -2.857 3.500 60 HB2 LYS 10 HB2 LYS 10 -7.782 -4.855 3.375 61 HB3 LYS 10 HB3 LYS 10 -6.321 -5.081 4.323 62 HG2 LYS 10 HG2 LYS 10 -7.459 -4.169 5.950 63 HG3 LYS 10 HG3 LYS 10 -6.910 -2.652 5.262 64 HD2 LYS 10 HD2 LYS 10 -9.599 -3.915 4.569 65 HD3 LYS 10 HD3 LYS 10 -9.382 -2.935 6.005 66 HE2 LYS 10 HE2 LYS 10 -9.012 -1.967 3.146 67 HE3 LYS 10 HE3 LYS 10 -10.376 -1.648 4.219 68 HZ1 LYS 10 HZ1 LYS 10 -8.764 -0.561 5.739 69 HZ2 LYS 10 HZ2 LYS 10 -9.068 0.209 4.319 70 HZ3 LYS 10 HZ3 LYS 10 -7.638 -0.603 4.546 71 H LEU 11 H LEU 11 -3.678 -3.221 2.437 72 HA LEU 11 HA LEU 11 -3.188 -4.519 0.103 73 HB2 LEU 11 HB2 LEU 11 -1.475 -3.891 2.522 74 HB3 LEU 11 HB3 LEU 11 -0.779 -4.753 1.183 75 HG LEU 11 HG LEU 11 -0.375 -2.319 1.154 76 HD11 LEU 11 HD11 LEU 11 -1.799 -3.537 -1.222 77 HD12 LEU 11 HD12 LEU 11 -0.060 -3.396 -0.916 78 HD13 LEU 11 HD13 LEU 11 -1.041 -1.979 -1.318 79 HD21 LEU 11 HD21 LEU 11 -3.294 -2.012 0.374 80 HD22 LEU 11 HD22 LEU 11 -2.100 -0.741 0.527 81 HD23 LEU 11 HD23 LEU 11 -2.620 -1.578 1.981 82 HA PRO 12 HA PRO 12 -3.278 -8.868 0.555 83 HB2 PRO 12 HB2 PRO 12 -1.046 -9.641 -0.935 84 HB3 PRO 12 HB3 PRO 12 -2.694 -9.296 -1.559 85 HG2 PRO 12 HG2 PRO 12 -0.235 -7.608 -1.606 86 HG3 PRO 12 HG3 PRO 12 -1.604 -7.630 -2.757 87 HD2 PRO 12 HD2 PRO 12 -1.181 -5.719 -0.782 88 HD3 PRO 12 HD3 PRO 12 -2.759 -6.038 -1.518 89 HA PRO 13 HA PRO 13 -0.564 -10.095 3.756 90 HB2 PRO 13 HB2 PRO 13 -0.123 -12.783 3.467 91 HB3 PRO 13 HB3 PRO 13 -1.680 -12.066 3.975 92 HG2 PRO 13 HG2 PRO 13 -0.847 -12.881 1.172 93 HG3 PRO 13 HG3 PRO 13 -2.353 -13.305 2.054 94 HD2 PRO 13 HD2 PRO 13 -2.280 -11.250 0.269 95 HD3 PRO 13 HD3 PRO 13 -3.211 -11.091 1.792 96 H GLY 14 H GLY 14 1.350 -9.450 3.990 97 HA2 GLY 14 HA2 GLY 14 3.723 -9.925 3.947 98 HA3 GLY 14 HA3 GLY 14 3.602 -10.220 2.204 99 H TRP 15 H TRP 15 1.637 -7.967 1.845 100 HA TRP 15 HA TRP 15 3.668 -5.838 1.680 101 HB2 TRP 15 HB2 TRP 15 0.898 -6.112 0.503 102 HB3 TRP 15 HB3 TRP 15 1.947 -4.739 0.291 103 HD1 TRP 15 HD1 TRP 15 1.790 -8.479 -0.748 104 HE1 TRP 15 HE1 TRP 15 3.223 -8.719 -2.873 105 HE3 TRP 15 HE3 TRP 15 3.942 -3.884 -0.757 106 HZ2 TRP 15 HZ2 TRP 15 5.215 -7.172 -4.283 107 HZ3 TRP 15 HZ3 TRP 15 5.535 -3.239 -2.529 108 HH2 TRP 15 HH2 TRP 15 6.230 -4.892 -4.286 109 H GLU 16 H GLU 16 3.300 -3.812 2.466 110 HA GLU 16 HA GLU 16 1.108 -3.252 4.359 111 HB2 GLU 16 HB2 GLU 16 4.095 -3.488 4.782 112 HB3 GLU 16 HB3 GLU 16 3.283 -2.159 5.578 113 HG2 GLU 16 HG2 GLU 16 2.227 -4.976 5.782 114 HG3 GLU 16 HG3 GLU 16 3.503 -4.374 6.843 115 H LYS 17 H LYS 17 0.340 -1.215 4.080 116 HA LYS 17 HA LYS 17 1.624 0.545 2.126 117 HB2 LYS 17 HB2 LYS 17 -0.743 0.317 2.094 118 HB3 LYS 17 HB3 LYS 17 -0.894 0.695 3.821 119 HG2 LYS 17 HG2 LYS 17 -0.086 3.004 3.390 120 HG3 LYS 17 HG3 LYS 17 0.055 2.652 1.666 121 HD2 LYS 17 HD2 LYS 17 -2.241 2.583 1.352 122 HD3 LYS 17 HD3 LYS 17 -2.611 2.125 3.018 123 HE2 LYS 17 HE2 LYS 17 -1.382 4.824 2.400 124 HE3 LYS 17 HE3 LYS 17 -3.126 4.541 2.190 125 HZ1 LYS 17 HZ1 LYS 17 -3.039 5.283 4.272 126 HZ2 LYS 17 HZ2 LYS 17 -1.594 4.583 4.678 127 HZ3 LYS 17 HZ3 LYS 17 -2.985 3.700 4.594 128 H ARG 18 H ARG 18 3.018 2.058 2.526 129 HA ARG 18 HA ARG 18 3.280 3.187 5.268 130 HB2 ARG 18 HB2 ARG 18 5.427 2.435 3.225 131 HB3 ARG 18 HB3 ARG 18 5.782 3.174 4.771 132 HG2 ARG 18 HG2 ARG 18 4.437 0.431 4.563 133 HG3 ARG 18 HG3 ARG 18 6.175 0.653 4.520 134 HD2 ARG 18 HD2 ARG 18 6.196 1.690 6.687 135 HD3 ARG 18 HD3 ARG 18 4.439 1.794 6.746 136 HE ARG 18 HE ARG 18 6.135 -0.589 7.197 137 HH11 ARG 18 HH11 ARG 18 2.781 0.633 6.900 138 HH12 ARG 18 HH12 ARG 18 2.104 -0.649 7.820 139 HH21 ARG 18 HH21 ARG 18 5.256 -2.249 8.384 140 HH22 ARG 18 HH22 ARG 18 3.511 -2.397 8.569 141 H MET 19 H MET 19 4.846 5.165 5.032 142 HA MET 19 HA MET 19 4.358 6.764 2.627 143 HB2 MET 19 HB2 MET 19 2.466 7.394 4.097 144 HB3 MET 19 HB3 MET 19 3.621 7.736 5.407 145 HG2 MET 19 HG2 MET 19 4.742 9.402 3.874 146 HG3 MET 19 HG3 MET 19 3.412 9.181 2.734 147 HE1 MET 19 HE1 MET 19 0.413 10.785 4.627 148 HE2 MET 19 HE2 MET 19 1.054 10.453 3.005 149 HE3 MET 19 HE3 MET 19 0.843 9.126 4.165 150 H GLU 20 H GLU 20 6.198 7.782 2.179 151 HA GLU 20 HA GLU 20 8.492 7.257 3.884 152 HB2 GLU 20 HB2 GLU 20 8.128 8.682 1.279 153 HB3 GLU 20 HB3 GLU 20 9.676 8.785 2.133 154 HG2 GLU 20 HG2 GLU 20 8.347 6.234 1.243 155 HG3 GLU 20 HG3 GLU 20 9.648 7.079 0.402 156 H ARG 21 H ARG 21 9.538 8.537 5.353 157 HA ARG 21 HA ARG 21 8.386 11.189 5.951 158 HB2 ARG 21 HB2 ARG 21 10.716 9.549 7.072 159 HB3 ARG 21 HB3 ARG 21 10.439 11.210 7.556 160 HG2 ARG 21 HG2 ARG 21 8.468 8.914 7.930 161 HG3 ARG 21 HG3 ARG 21 9.491 9.617 9.179 162 HD2 ARG 21 HD2 ARG 21 7.184 10.964 7.728 163 HD3 ARG 21 HD3 ARG 21 7.250 10.491 9.423 164 HE ARG 21 HE ARG 21 9.324 12.167 9.361 165 HH11 ARG 21 HH11 ARG 21 5.957 12.579 8.384 166 HH12 ARG 21 HH12 ARG 21 6.032 14.307 8.274 167 HH21 ARG 21 HH21 ARG 21 9.428 14.481 9.307 168 HH22 ARG 21 HH22 ARG 21 8.044 15.404 8.873 169 H SER 22 H SER 22 10.772 9.855 3.871 170 HA SER 22 HA SER 22 12.713 11.817 3.606 171 HB2 SER 22 HB2 SER 22 12.632 9.529 2.554 172 HB3 SER 22 HB3 SER 22 11.429 10.113 1.416 173 HG SER 22 HG SER 22 14.157 10.843 1.669 174 H SER 23 H SER 23 9.653 11.537 1.696 175 HA SER 23 HA SER 23 9.631 14.481 1.376 176 HB2 SER 23 HB2 SER 23 9.425 12.434 -0.860 177 HB3 SER 23 HB3 SER 23 8.823 14.070 -1.012 178 HG SER 23 HG SER 23 11.448 13.116 -0.765 179 H GLY 24 H GLY 24 7.876 11.640 2.250 180 HA2 GLY 24 HA2 GLY 24 5.728 11.666 3.142 181 HA3 GLY 24 HA3 GLY 24 5.481 13.283 2.508 182 H ARG 25 H ARG 25 6.250 9.973 1.170 183 HA ARG 25 HA ARG 25 4.005 10.471 -0.752 184 HB2 ARG 25 HB2 ARG 25 6.454 10.785 -1.650 185 HB3 ARG 25 HB3 ARG 25 6.520 9.037 -1.590 186 HG2 ARG 25 HG2 ARG 25 5.768 9.286 -3.750 187 HG3 ARG 25 HG3 ARG 25 4.206 9.199 -2.926 188 HD2 ARG 25 HD2 ARG 25 4.037 11.028 -4.417 189 HD3 ARG 25 HD3 ARG 25 4.315 11.789 -2.836 190 HE ARG 25 HE ARG 25 6.725 11.204 -4.397 191 HH11 ARG 25 HH11 ARG 25 4.144 13.623 -4.147 192 HH12 ARG 25 HH12 ARG 25 5.136 14.905 -4.803 193 HH21 ARG 25 HH21 ARG 25 7.903 12.749 -5.371 194 HH22 ARG 25 HH22 ARG 25 7.440 14.420 -5.389 195 H VAL 26 H VAL 26 2.548 8.818 -0.795 196 HA VAL 26 HA VAL 26 2.889 6.667 1.118 197 HB VAL 26 HB VAL 26 0.651 7.182 -0.889 198 HG11 VAL 26 HG11 VAL 26 0.572 4.911 0.091 199 HG12 VAL 26 HG12 VAL 26 0.653 5.602 1.729 200 HG13 VAL 26 HG13 VAL 26 -0.754 5.901 0.677 201 HG21 VAL 26 HG21 VAL 26 -0.546 8.281 1.006 202 HG22 VAL 26 HG22 VAL 26 0.921 8.136 1.999 203 HG23 VAL 26 HG23 VAL 26 0.892 9.177 0.555 204 H TYR 27 H TYR 27 3.142 4.464 0.629 205 HA TYR 27 HA TYR 27 3.247 3.506 -2.107 206 HB2 TYR 27 HB2 TYR 27 5.515 2.947 -2.182 207 HB3 TYR 27 HB3 TYR 27 5.478 4.635 -1.748 208 HD1 TYR 27 HD2 TYR 27 5.632 5.155 0.885 209 HD2 TYR 27 HD1 TYR 27 6.850 1.456 -0.961 210 HE1 TYR 27 HE2 TYR 27 7.256 4.766 2.713 211 HE2 TYR 27 HE1 TYR 27 8.362 0.990 0.914 212 HH TYR 27 HH TYR 27 9.372 3.657 2.937 213 H TYR 28 H TYR 28 4.213 1.072 -1.938 214 HA TYR 28 HA TYR 28 3.100 -0.210 0.506 215 HB2 TYR 28 HB2 TYR 28 3.217 -1.260 -2.342 216 HB3 TYR 28 HB3 TYR 28 2.511 -2.064 -0.957 217 HD1 TYR 28 HD1 TYR 28 0.892 0.068 0.315 218 HD2 TYR 28 HD2 TYR 28 1.454 -0.844 -3.827 219 HE1 TYR 28 HE1 TYR 28 -1.247 1.175 -0.182 220 HE2 TYR 28 HE2 TYR 28 -0.752 0.158 -4.355 221 HH TYR 28 HH TYR 28 -2.320 1.750 -3.489 222 H PHE 29 H PHE 29 4.339 -1.829 1.423 223 HA PHE 29 HA PHE 29 7.057 -2.369 0.278 224 HB2 PHE 29 HB2 PHE 29 7.206 -0.708 2.109 225 HB3 PHE 29 HB3 PHE 29 6.334 -1.802 3.179 226 HD1 PHE 29 HD2 PHE 29 7.421 -3.972 3.951 227 HD2 PHE 29 HD1 PHE 29 9.535 -1.143 1.461 228 HE1 PHE 29 HE2 PHE 29 9.575 -5.069 4.484 229 HE2 PHE 29 HE1 PHE 29 11.655 -2.299 1.984 230 HZ PHE 29 HZ PHE 29 11.693 -4.210 3.561 231 H ASN 30 H ASN 30 7.509 -4.483 0.208 232 HA ASN 30 HA ASN 30 5.613 -6.430 1.422 233 HB2 ASN 30 HB2 ASN 30 6.165 -6.491 -1.002 234 HB3 ASN 30 HB3 ASN 30 7.813 -6.957 -0.575 235 HD21 ASN 30 HD21 ASN 30 6.244 -8.747 -2.154 236 HD22 ASN 30 HD22 ASN 30 5.806 -10.097 -1.142 237 H HIS 31 H HIS 31 6.255 -7.062 3.503 238 HA HIS 31 HA HIS 31 9.075 -6.976 4.254 239 HB2 HIS 31 HB2 HIS 31 8.372 -7.514 6.421 240 HB3 HIS 31 HB3 HIS 31 7.150 -6.415 5.794 241 HD1 HIS 31 HD1 HIS 31 7.658 -10.141 6.705 242 HD2 HIS 31 HD2 HIS 31 4.620 -7.401 5.649 243 HE1 HIS 31 HE1 HIS 31 5.462 -11.364 6.934 244 H ILE 32 H ILE 32 7.181 -9.333 2.668 245 HA ILE 32 HA ILE 32 8.484 -11.669 3.817 246 HB ILE 32 HB ILE 32 6.811 -11.162 1.338 247 HG12 ILE 32 HG12 ILE 32 6.302 -12.430 4.062 248 HG13 ILE 32 HG13 ILE 32 5.634 -10.937 3.439 249 HG21 ILE 32 HG21 ILE 32 7.930 -13.823 2.175 250 HG22 ILE 32 HG22 ILE 32 6.600 -13.580 1.028 251 HG23 ILE 32 HG23 ILE 32 8.170 -12.922 0.645 252 HD11 ILE 32 HD11 ILE 32 3.897 -12.556 3.344 253 HD12 ILE 32 HD12 ILE 32 4.425 -12.304 1.664 254 HD13 ILE 32 HD13 ILE 32 4.933 -13.757 2.562 255 H THR 33 H THR 33 9.021 -9.548 0.989 256 HA THR 33 HA THR 33 11.637 -10.936 0.676 257 HB THR 33 HB THR 33 9.863 -11.624 -0.932 258 HG1 THR 33 HG1 THR 33 12.109 -11.878 -1.206 259 HG21 THR 33 HG21 THR 33 8.922 -9.374 -1.442 260 HG22 THR 33 HG22 THR 33 9.418 -10.286 -2.881 261 HG23 THR 33 HG23 THR 33 10.455 -8.988 -2.269 262 H ASN 34 H ASN 34 10.479 -8.144 1.820 263 HA ASN 34 HA ASN 34 11.458 -6.182 2.249 264 HB2 ASN 34 HB2 ASN 34 13.527 -7.834 2.284 265 HB3 ASN 34 HB3 ASN 34 13.973 -7.028 0.796 266 HD21 ASN 34 HD21 ASN 34 13.536 -4.353 1.304 267 HD22 ASN 34 HD22 ASN 34 14.378 -3.815 2.767 268 H ALA 35 H ALA 35 10.069 -6.856 -0.347 269 HA ALA 35 HA ALA 35 11.263 -5.003 -2.311 270 HB1 ALA 35 HB1 ALA 35 8.860 -6.891 -2.445 271 HB2 ALA 35 HB2 ALA 35 9.328 -5.785 -3.745 272 HB3 ALA 35 HB3 ALA 35 10.441 -7.047 -3.236 273 H SER 36 H SER 36 9.353 -3.698 -3.480 274 HA SER 36 HA SER 36 7.398 -2.541 -1.757 275 HB2 SER 36 HB2 SER 36 8.370 -0.400 -1.582 276 HB3 SER 36 HB3 SER 36 9.609 -1.537 -1.143 277 HG SER 36 HG SER 36 9.924 0.285 -2.974 278 H GLN 37 H GLN 37 6.116 -0.881 -3.008 279 HA GLN 37 HA GLN 37 6.628 -0.474 -5.728 280 HB2 GLN 37 HB2 GLN 37 4.701 -2.692 -4.965 281 HB3 GLN 37 HB3 GLN 37 4.115 -1.607 -6.187 282 HG2 GLN 37 HG2 GLN 37 6.799 -2.347 -6.952 283 HG3 GLN 37 HG3 GLN 37 5.897 -3.785 -6.494 284 HE21 GLN 37 HE21 GLN 37 5.813 -0.881 -8.544 285 HE22 GLN 37 HE22 GLN 37 4.797 -1.513 -9.814 286 H TRP 38 H TRP 38 4.638 0.615 -6.722 287 HA TRP 38 HA TRP 38 3.278 2.376 -4.736 288 HB2 TRP 38 HB2 TRP 38 3.736 2.893 -7.681 289 HB3 TRP 38 HB3 TRP 38 3.139 4.025 -6.477 290 HD1 TRP 38 HD1 TRP 38 6.298 2.378 -7.742 291 HE1 TRP 38 HE1 TRP 38 8.399 3.494 -6.774 292 HE3 TRP 38 HE3 TRP 38 4.044 5.463 -4.374 293 HZ2 TRP 38 HZ2 TRP 38 8.983 5.697 -4.983 294 HZ3 TRP 38 HZ3 TRP 38 5.393 7.058 -3.052 295 HH2 TRP 38 HH2 TRP 38 7.840 7.234 -3.386 296 H GLU 39 H GLU 39 2.986 0.204 -7.472 297 HA GLU 39 HA GLU 39 0.182 0.466 -8.087 298 HB2 GLU 39 HB2 GLU 39 2.373 -1.610 -8.597 299 HB3 GLU 39 HB3 GLU 39 0.769 -1.764 -9.279 300 HG2 GLU 39 HG2 GLU 39 2.521 0.678 -9.782 301 HG3 GLU 39 HG3 GLU 39 2.609 -0.794 -10.752 302 H ARG 40 H ARG 40 -1.488 -1.058 -7.524 303 HA ARG 40 HA ARG 40 -1.314 -2.188 -4.927 304 HB2 ARG 40 HB2 ARG 40 -3.329 -2.393 -7.149 305 HB3 ARG 40 HB3 ARG 40 -3.455 -3.457 -5.742 306 HG2 ARG 40 HG2 ARG 40 -3.467 -1.539 -4.202 307 HG3 ARG 40 HG3 ARG 40 -3.166 -0.442 -5.502 308 HD2 ARG 40 HD2 ARG 40 -5.463 -0.194 -5.227 309 HD3 ARG 40 HD3 ARG 40 -5.447 -1.411 -6.503 310 HE ARG 40 HE ARG 40 -6.010 -1.787 -3.602 311 HH11 ARG 40 HH11 ARG 40 -6.091 -3.358 -6.869 312 HH12 ARG 40 HH12 ARG 40 -6.760 -4.786 -6.202 313 HH21 ARG 40 HH21 ARG 40 -7.118 -3.635 -2.906 314 HH22 ARG 40 HH22 ARG 40 -7.521 -4.885 -4.025 315 HA PRO 41 HA PRO 41 1.018 -5.826 -6.220 316 HB2 PRO 41 HB2 PRO 41 1.356 -6.918 -3.700 317 HB3 PRO 41 HB3 PRO 41 2.331 -5.587 -4.396 318 HG2 PRO 41 HG2 PRO 41 0.045 -5.467 -2.461 319 HG3 PRO 41 HG3 PRO 41 1.532 -4.488 -2.465 320 HD2 PRO 41 HD2 PRO 41 -0.912 -3.626 -3.417 321 HD3 PRO 41 HD3 PRO 41 0.664 -3.025 -3.985 322 H SER 42 H SER 42 0.839 -8.317 -5.088 323 HA SER 42 HA SER 42 -1.925 -9.135 -4.779 324 HB2 SER 42 HB2 SER 42 -1.476 -10.752 -6.896 325 HB3 SER 42 HB3 SER 42 -2.131 -9.142 -7.129 326 HG SER 42 HG SER 42 0.586 -9.910 -7.419 327 H GLY 43 H GLY 43 -1.830 -10.529 -3.236 328 HA2 GLY 43 HA2 GLY 43 0.623 -11.963 -2.520 329 HA3 GLY 43 HA3 GLY 43 -0.954 -12.082 -1.702 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -12.555 7.680 -3.518 2 HA2 GLY 1 HA2 GLY 1 -14.181 9.499 -3.587 3 HA3 GLY 1 HA3 GLY 1 -14.977 7.930 -3.308 4 H LEU 2 H LEU 2 -16.583 8.175 -1.825 5 HA LEU 2 HA LEU 2 -15.950 9.240 0.797 6 HB2 LEU 2 HB2 LEU 2 -16.540 11.260 -0.567 7 HB3 LEU 2 HB3 LEU 2 -18.154 10.616 -0.812 8 HG LEU 2 HG LEU 2 -16.906 11.189 1.928 9 HD11 LEU 2 HD11 LEU 2 -17.025 13.243 0.697 10 HD12 LEU 2 HD12 LEU 2 -18.334 13.240 1.875 11 HD13 LEU 2 HD13 LEU 2 -18.684 12.905 0.158 12 HD21 LEU 2 HD21 LEU 2 -19.771 10.538 1.117 13 HD22 LEU 2 HD22 LEU 2 -19.310 11.271 2.686 14 HD23 LEU 2 HD23 LEU 2 -18.733 9.679 2.274 15 H GLU 3 H GLU 3 -19.099 8.809 -0.950 16 HA GLU 3 HA GLU 3 -20.001 7.012 1.133 17 HB2 GLU 3 HB2 GLU 3 -21.376 8.768 0.026 18 HB3 GLU 3 HB3 GLU 3 -21.352 7.830 -1.472 19 HG2 GLU 3 HG2 GLU 3 -22.686 6.097 -0.559 20 HG3 GLU 3 HG3 GLU 3 -22.366 6.597 1.103 21 H HIS 4 H HIS 4 -17.906 6.313 -1.339 22 HA HIS 4 HA HIS 4 -19.155 3.646 -1.907 23 HB2 HIS 4 HB2 HIS 4 -16.959 5.091 -3.409 24 HB3 HIS 4 HB3 HIS 4 -17.666 3.530 -3.810 25 HD1 HIS 4 HD1 HIS 4 -17.854 5.313 -6.104 26 HD2 HIS 4 HD2 HIS 4 -20.687 5.410 -2.989 27 HE1 HIS 4 HE1 HIS 4 -19.968 6.462 -7.040 28 H MET 5 H MET 5 -18.182 1.862 -1.302 29 HA MET 5 HA MET 5 -16.081 1.781 0.638 30 HB2 MET 5 HB2 MET 5 -16.309 -0.673 0.326 31 HB3 MET 5 HB3 MET 5 -17.890 0.095 0.505 32 HG2 MET 5 HG2 MET 5 -18.313 -0.058 -1.878 33 HG3 MET 5 HG3 MET 5 -16.652 -0.552 -2.207 34 HE1 MET 5 HE1 MET 5 -19.030 -1.954 -3.506 35 HE2 MET 5 HE2 MET 5 -17.353 -2.498 -3.733 36 HE3 MET 5 HE3 MET 5 -18.618 -3.673 -3.306 37 H ALA 6 H ALA 6 -14.057 0.371 0.280 38 HA ALA 6 HA ALA 6 -13.016 0.376 -2.494 39 HB1 ALA 6 HB1 ALA 6 -12.309 2.538 -1.619 40 HB2 ALA 6 HB2 ALA 6 -11.632 1.769 -0.159 41 HB3 ALA 6 HB3 ALA 6 -10.909 1.465 -1.748 42 H ASP 7 H ASP 7 -11.022 -0.840 -2.663 43 HA ASP 7 HA ASP 7 -10.765 -3.009 -0.629 44 HB2 ASP 7 HB2 ASP 7 -10.510 -3.167 -3.647 45 HB3 ASP 7 HB3 ASP 7 -10.112 -4.472 -2.525 46 H GLU 8 H GLU 8 -9.078 -0.698 -2.689 47 HA GLU 8 HA GLU 8 -6.515 -1.770 -2.639 48 HB2 GLU 8 HB2 GLU 8 -5.770 0.442 -3.235 49 HB3 GLU 8 HB3 GLU 8 -7.313 0.084 -4.008 50 HG2 GLU 8 HG2 GLU 8 -7.513 2.306 -3.361 51 HG3 GLU 8 HG3 GLU 8 -8.467 1.412 -2.191 52 H GLU 9 H GLU 9 -8.234 -0.325 0.003 53 HA GLU 9 HA GLU 9 -5.901 0.341 1.551 54 HB2 GLU 9 HB2 GLU 9 -8.379 1.296 1.504 55 HB3 GLU 9 HB3 GLU 9 -8.680 0.021 2.685 56 HG2 GLU 9 HG2 GLU 9 -7.057 0.972 4.211 57 HG3 GLU 9 HG3 GLU 9 -6.441 2.062 2.965 58 H LYS 10 H LYS 10 -7.227 -2.703 0.824 59 HA LYS 10 HA LYS 10 -6.357 -3.847 3.458 60 HB2 LYS 10 HB2 LYS 10 -8.392 -4.904 1.506 61 HB3 LYS 10 HB3 LYS 10 -7.833 -5.761 2.921 62 HG2 LYS 10 HG2 LYS 10 -8.806 -4.260 4.466 63 HG3 LYS 10 HG3 LYS 10 -9.083 -2.997 3.248 64 HD2 LYS 10 HD2 LYS 10 -10.413 -5.715 3.250 65 HD3 LYS 10 HD3 LYS 10 -11.163 -4.251 3.910 66 HE2 LYS 10 HE2 LYS 10 -11.431 -3.243 1.855 67 HE3 LYS 10 HE3 LYS 10 -9.989 -4.008 1.175 68 HZ1 LYS 10 HZ1 LYS 10 -12.174 -4.875 0.253 69 HZ2 LYS 10 HZ2 LYS 10 -12.464 -5.559 1.728 70 HZ3 LYS 10 HZ3 LYS 10 -11.176 -6.024 0.860 71 H LEU 11 H LEU 11 -4.343 -3.651 2.612 72 HA LEU 11 HA LEU 11 -3.385 -4.979 0.314 73 HB2 LEU 11 HB2 LEU 11 -2.018 -4.092 2.876 74 HB3 LEU 11 HB3 LEU 11 -1.091 -4.963 1.707 75 HG LEU 11 HG LEU 11 -0.825 -2.531 1.504 76 HD11 LEU 11 HD11 LEU 11 -1.983 -4.045 -0.873 77 HD12 LEU 11 HD12 LEU 11 -0.315 -3.604 -0.512 78 HD13 LEU 11 HD13 LEU 11 -1.471 -2.379 -1.050 79 HD21 LEU 11 HD21 LEU 11 -3.750 -2.431 0.679 80 HD22 LEU 11 HD22 LEU 11 -2.637 -1.106 0.671 81 HD23 LEU 11 HD23 LEU 11 -3.080 -1.833 2.209 82 HA PRO 12 HA PRO 12 -3.330 -9.295 1.220 83 HB2 PRO 12 HB2 PRO 12 -0.912 -9.977 -0.085 84 HB3 PRO 12 HB3 PRO 12 -2.545 -9.920 -0.833 85 HG2 PRO 12 HG2 PRO 12 -0.289 -8.051 -1.086 86 HG3 PRO 12 HG3 PRO 12 -1.708 -8.250 -2.148 87 HD2 PRO 12 HD2 PRO 12 -1.263 -6.186 -0.263 88 HD3 PRO 12 HD3 PRO 12 -2.799 -6.529 -1.087 89 HA PRO 13 HA PRO 13 -0.590 -10.207 4.505 90 HB2 PRO 13 HB2 PRO 13 0.390 -12.758 3.996 91 HB3 PRO 13 HB3 PRO 13 -1.220 -12.385 4.686 92 HG2 PRO 13 HG2 PRO 13 -0.498 -12.997 1.809 93 HG3 PRO 13 HG3 PRO 13 -1.901 -13.596 2.753 94 HD2 PRO 13 HD2 PRO 13 -2.159 -11.562 1.026 95 HD3 PRO 13 HD3 PRO 13 -3.021 -11.530 2.592 96 H GLY 14 H GLY 14 1.335 -9.709 4.923 97 HA2 GLY 14 HA2 GLY 14 3.704 -9.545 4.827 98 HA3 GLY 14 HA3 GLY 14 3.648 -9.931 3.103 99 H TRP 15 H TRP 15 1.520 -7.914 2.506 100 HA TRP 15 HA TRP 15 3.410 -5.687 2.212 101 HB2 TRP 15 HB2 TRP 15 0.662 -6.248 1.073 102 HB3 TRP 15 HB3 TRP 15 1.585 -4.799 0.738 103 HD1 TRP 15 HD1 TRP 15 1.713 -8.599 0.043 104 HE1 TRP 15 HE1 TRP 15 3.180 -8.991 -2.006 105 HE3 TRP 15 HE3 TRP 15 3.569 -3.889 -0.469 106 HZ2 TRP 15 HZ2 TRP 15 5.050 -7.446 -3.621 107 HZ3 TRP 15 HZ3 TRP 15 5.173 -3.353 -2.294 108 HH2 TRP 15 HH2 TRP 15 5.947 -5.140 -3.860 109 H GLU 16 H GLU 16 2.927 -3.567 2.739 110 HA GLU 16 HA GLU 16 0.758 -2.914 4.682 111 HB2 GLU 16 HB2 GLU 16 3.792 -2.596 4.836 112 HB3 GLU 16 HB3 GLU 16 2.751 -1.482 5.697 113 HG2 GLU 16 HG2 GLU 16 2.258 -4.422 6.107 114 HG3 GLU 16 HG3 GLU 16 3.679 -3.683 6.861 115 H LYS 17 H LYS 17 -0.129 -0.929 4.198 116 HA LYS 17 HA LYS 17 0.998 0.647 1.955 117 HB2 LYS 17 HB2 LYS 17 -1.374 0.141 1.974 118 HB3 LYS 17 HB3 LYS 17 -1.580 0.886 3.560 119 HG2 LYS 17 HG2 LYS 17 -0.887 3.095 2.595 120 HG3 LYS 17 HG3 LYS 17 -0.728 2.331 1.010 121 HD2 LYS 17 HD2 LYS 17 -3.201 1.693 1.173 122 HD3 LYS 17 HD3 LYS 17 -3.279 2.609 2.689 123 HE2 LYS 17 HE2 LYS 17 -2.598 4.645 1.573 124 HE3 LYS 17 HE3 LYS 17 -2.306 3.784 0.050 125 HZ1 LYS 17 HZ1 LYS 17 -4.389 4.974 0.089 126 HZ2 LYS 17 HZ2 LYS 17 -4.946 4.111 1.341 127 HZ3 LYS 17 HZ3 LYS 17 -4.670 3.368 -0.129 128 H ARG 18 H ARG 18 2.432 2.198 2.372 129 HA ARG 18 HA ARG 18 2.172 3.746 4.889 130 HB2 ARG 18 HB2 ARG 18 4.868 2.928 3.781 131 HB3 ARG 18 HB3 ARG 18 4.524 3.738 5.289 132 HG2 ARG 18 HG2 ARG 18 3.100 1.350 5.556 133 HG3 ARG 18 HG3 ARG 18 4.531 0.839 4.675 134 HD2 ARG 18 HD2 ARG 18 5.961 1.719 6.440 135 HD3 ARG 18 HD3 ARG 18 4.583 2.474 7.250 136 HE ARG 18 HE ARG 18 3.666 0.040 7.341 137 HH11 ARG 18 HH11 ARG 18 6.968 1.109 8.213 138 HH12 ARG 18 HH12 ARG 18 7.236 -0.269 9.236 139 HH21 ARG 18 HH21 ARG 18 4.075 -1.738 8.745 140 HH22 ARG 18 HH22 ARG 18 5.570 -1.821 9.612 141 H MET 19 H MET 19 3.877 5.654 4.681 142 HA MET 19 HA MET 19 3.698 6.832 2.000 143 HB2 MET 19 HB2 MET 19 1.762 7.601 3.434 144 HB3 MET 19 HB3 MET 19 2.945 8.252 4.582 145 HG2 MET 19 HG2 MET 19 3.894 9.454 2.435 146 HG3 MET 19 HG3 MET 19 2.316 9.104 1.749 147 HE1 MET 19 HE1 MET 19 3.435 12.127 5.034 148 HE2 MET 19 HE2 MET 19 3.725 10.389 5.286 149 HE3 MET 19 HE3 MET 19 4.544 11.243 3.986 150 H GLU 20 H GLU 20 5.420 8.103 1.503 151 HA GLU 20 HA GLU 20 7.904 7.773 2.941 152 HB2 GLU 20 HB2 GLU 20 7.086 9.533 0.563 153 HB3 GLU 20 HB3 GLU 20 8.746 9.284 1.132 154 HG2 GLU 20 HG2 GLU 20 8.400 6.843 0.828 155 HG3 GLU 20 HG3 GLU 20 6.861 7.157 0.024 156 H ARG 21 H ARG 21 8.208 8.962 4.877 157 HA ARG 21 HA ARG 21 6.768 11.452 5.321 158 HB2 ARG 21 HB2 ARG 21 7.920 9.651 7.007 159 HB3 ARG 21 HB3 ARG 21 9.241 10.821 6.909 160 HG2 ARG 21 HG2 ARG 21 7.435 12.607 7.478 161 HG3 ARG 21 HG3 ARG 21 6.381 11.245 7.857 162 HD2 ARG 21 HD2 ARG 21 8.891 12.166 9.261 163 HD3 ARG 21 HD3 ARG 21 7.291 11.940 9.928 164 HE ARG 21 HE ARG 21 7.589 9.566 9.943 165 HH11 ARG 21 HH11 ARG 21 10.645 11.395 9.406 166 HH12 ARG 21 HH12 ARG 21 11.598 10.045 9.930 167 HH21 ARG 21 HH21 ARG 21 8.901 7.870 10.482 168 HH22 ARG 21 HH22 ARG 21 10.615 8.059 10.665 169 H SER 22 H SER 22 9.352 10.771 3.316 170 HA SER 22 HA SER 22 11.017 13.105 3.682 171 HB2 SER 22 HB2 SER 22 11.769 10.880 2.825 172 HB3 SER 22 HB3 SER 22 10.737 11.088 1.402 173 HG SER 22 HG SER 22 12.697 11.668 0.807 174 H SER 23 H SER 23 8.777 12.080 1.013 175 HA SER 23 HA SER 23 8.305 14.961 0.380 176 HB2 SER 23 HB2 SER 23 8.282 12.520 -1.420 177 HB3 SER 23 HB3 SER 23 8.043 14.196 -1.926 178 HG SER 23 HG SER 23 10.144 14.672 -1.329 179 H GLY 24 H GLY 24 6.667 12.089 1.515 180 HA2 GLY 24 HA2 GLY 24 4.464 11.966 2.097 181 HA3 GLY 24 HA3 GLY 24 4.135 13.503 1.303 182 H ARG 25 H ARG 25 5.351 10.222 0.294 183 HA ARG 25 HA ARG 25 3.302 10.272 -1.859 184 HB2 ARG 25 HB2 ARG 25 5.979 10.439 -2.275 185 HB3 ARG 25 HB3 ARG 25 5.855 8.694 -2.090 186 HG2 ARG 25 HG2 ARG 25 5.606 9.119 -4.401 187 HG3 ARG 25 HG3 ARG 25 3.969 8.772 -3.809 188 HD2 ARG 25 HD2 ARG 25 3.899 10.648 -5.340 189 HD3 ARG 25 HD3 ARG 25 3.520 11.242 -3.722 190 HE ARG 25 HE ARG 25 6.299 11.539 -4.138 191 HH11 ARG 25 HH11 ARG 25 3.292 12.692 -5.591 192 HH12 ARG 25 HH12 ARG 25 3.998 14.109 -6.312 193 HH21 ARG 25 HH21 ARG 25 7.189 13.559 -4.839 194 HH22 ARG 25 HH22 ARG 25 6.226 14.679 -5.735 195 H VAL 26 H VAL 26 1.915 8.581 -1.755 196 HA VAL 26 HA VAL 26 2.246 6.685 0.474 197 HB VAL 26 HB VAL 26 -0.036 6.659 -1.520 198 HG11 VAL 26 HG11 VAL 26 0.094 4.767 0.068 199 HG12 VAL 26 HG12 VAL 26 0.265 5.883 1.436 200 HG13 VAL 26 HG13 VAL 26 -1.249 5.839 0.503 201 HG21 VAL 26 HG21 VAL 26 0.089 8.978 -0.771 202 HG22 VAL 26 HG22 VAL 26 -1.258 8.159 0.042 203 HG23 VAL 26 HG23 VAL 26 0.253 8.454 0.924 204 H TYR 27 H TYR 27 2.430 4.355 0.180 205 HA TYR 27 HA TYR 27 2.628 3.258 -2.486 206 HB2 TYR 27 HB2 TYR 27 4.967 2.743 -2.478 207 HB3 TYR 27 HB3 TYR 27 4.841 4.466 -2.227 208 HD1 TYR 27 HD2 TYR 27 4.937 5.319 0.291 209 HD2 TYR 27 HD1 TYR 27 6.321 1.498 -1.093 210 HE1 TYR 27 HE2 TYR 27 6.279 5.091 2.343 211 HE2 TYR 27 HE1 TYR 27 7.725 1.263 0.945 212 HH TYR 27 HH TYR 27 7.615 3.693 3.605 213 H TYR 28 H TYR 28 3.648 0.890 -2.108 214 HA TYR 28 HA TYR 28 2.546 -0.175 0.454 215 HB2 TYR 28 HB2 TYR 28 2.702 -1.489 -2.259 216 HB3 TYR 28 HB3 TYR 28 1.980 -2.152 -0.798 217 HD1 TYR 28 HD1 TYR 28 0.147 -0.413 0.299 218 HD2 TYR 28 HD2 TYR 28 1.195 -0.653 -3.851 219 HE1 TYR 28 HE1 TYR 28 -2.026 0.606 -0.287 220 HE2 TYR 28 HE2 TYR 28 -0.992 0.335 -4.462 221 HH TYR 28 HH TYR 28 -3.492 1.318 -2.073 222 H PHE 29 H PHE 29 3.850 -1.711 1.519 223 HA PHE 29 HA PHE 29 6.573 -2.225 0.388 224 HB2 PHE 29 HB2 PHE 29 6.596 -0.348 2.041 225 HB3 PHE 29 HB3 PHE 29 5.955 -1.439 3.257 226 HD1 PHE 29 HD2 PHE 29 7.367 -3.393 4.053 227 HD2 PHE 29 HD1 PHE 29 8.928 -0.451 1.305 228 HE1 PHE 29 HE2 PHE 29 9.667 -4.207 4.461 229 HE2 PHE 29 HE1 PHE 29 11.207 -1.253 1.736 230 HZ PHE 29 HZ PHE 29 11.593 -3.098 3.337 231 H ASN 30 H ASN 30 7.114 -4.283 0.466 232 HA ASN 30 HA ASN 30 5.420 -6.208 2.002 233 HB2 ASN 30 HB2 ASN 30 5.911 -6.471 -0.490 234 HB3 ASN 30 HB3 ASN 30 7.533 -6.925 -0.054 235 HD21 ASN 30 HD21 ASN 30 5.872 -8.794 -1.388 236 HD22 ASN 30 HD22 ASN 30 5.397 -10.029 -0.245 237 H HIS 31 H HIS 31 6.282 -6.465 4.128 238 HA HIS 31 HA HIS 31 9.127 -6.331 4.584 239 HB2 HIS 31 HB2 HIS 31 8.663 -6.987 6.815 240 HB3 HIS 31 HB3 HIS 31 7.399 -5.877 6.318 241 HD1 HIS 31 HD1 HIS 31 7.932 -9.650 7.067 242 HD2 HIS 31 HD2 HIS 31 4.920 -6.784 6.412 243 HE1 HIS 31 HE1 HIS 31 5.734 -10.821 7.519 244 H ILE 32 H ILE 32 7.199 -8.878 3.311 245 HA ILE 32 HA ILE 32 8.589 -11.141 4.411 246 HB ILE 32 HB ILE 32 7.043 -10.788 1.803 247 HG12 ILE 32 HG12 ILE 32 6.326 -12.091 4.469 248 HG13 ILE 32 HG13 ILE 32 5.740 -10.529 3.919 249 HG21 ILE 32 HG21 ILE 32 8.544 -12.605 1.411 250 HG22 ILE 32 HG22 ILE 32 8.118 -13.333 2.984 251 HG23 ILE 32 HG23 ILE 32 6.945 -13.238 1.664 252 HD11 ILE 32 HD11 ILE 32 4.642 -11.693 1.947 253 HD12 ILE 32 HD12 ILE 32 5.043 -13.245 2.721 254 HD13 ILE 32 HD13 ILE 32 3.978 -12.117 3.540 255 H THR 33 H THR 33 9.152 -9.064 1.578 256 HA THR 33 HA THR 33 11.820 -10.393 1.266 257 HB THR 33 HB THR 33 10.286 -11.291 -0.323 258 HG1 THR 33 HG1 THR 33 12.244 -11.159 -1.125 259 HG21 THR 33 HG21 THR 33 8.586 -9.607 -0.551 260 HG22 THR 33 HG22 THR 33 9.301 -9.894 -2.140 261 HG23 THR 33 HG23 THR 33 9.760 -8.458 -1.200 262 H ASN 34 H ASN 34 10.449 -7.638 2.325 263 HA ASN 34 HA ASN 34 11.167 -5.538 2.608 264 HB2 ASN 34 HB2 ASN 34 13.350 -6.860 3.114 265 HB3 ASN 34 HB3 ASN 34 13.908 -6.309 1.536 266 HD21 ASN 34 HD21 ASN 34 12.852 -5.231 4.773 267 HD22 ASN 34 HD22 ASN 34 13.814 -3.777 4.761 268 H ALA 35 H ALA 35 9.775 -6.158 0.330 269 HA ALA 35 HA ALA 35 10.973 -4.612 -1.927 270 HB1 ALA 35 HB1 ALA 35 8.548 -6.472 -1.934 271 HB2 ALA 35 HB2 ALA 35 9.194 -5.591 -3.322 272 HB3 ALA 35 HB3 ALA 35 10.170 -6.833 -2.567 273 H SER 36 H SER 36 9.120 -3.404 -3.126 274 HA SER 36 HA SER 36 6.988 -2.345 -1.612 275 HB2 SER 36 HB2 SER 36 7.752 -0.149 -1.268 276 HB3 SER 36 HB3 SER 36 9.088 -1.191 -0.824 277 HG SER 36 HG SER 36 8.875 0.386 -3.132 278 H GLN 37 H GLN 37 5.546 -1.057 -2.961 279 HA GLN 37 HA GLN 37 6.354 -0.582 -5.643 280 HB2 GLN 37 HB2 GLN 37 4.897 -3.063 -4.990 281 HB3 GLN 37 HB3 GLN 37 3.931 -2.066 -6.072 282 HG2 GLN 37 HG2 GLN 37 6.723 -3.130 -6.583 283 HG3 GLN 37 HG3 GLN 37 5.223 -3.685 -7.311 284 HE21 GLN 37 HE21 GLN 37 7.444 -2.869 -8.856 285 HE22 GLN 37 HE22 GLN 37 7.047 -1.368 -9.672 286 H TRP 38 H TRP 38 4.320 0.275 -6.847 287 HA TRP 38 HA TRP 38 2.799 2.080 -5.017 288 HB2 TRP 38 HB2 TRP 38 3.308 2.479 -7.972 289 HB3 TRP 38 HB3 TRP 38 2.700 3.651 -6.806 290 HD1 TRP 38 HD1 TRP 38 5.860 1.905 -7.952 291 HE1 TRP 38 HE1 TRP 38 7.932 3.165 -7.157 292 HE3 TRP 38 HE3 TRP 38 3.592 5.183 -4.772 293 HZ2 TRP 38 HZ2 TRP 38 8.536 5.332 -5.280 294 HZ3 TRP 38 HZ3 TRP 38 4.930 6.731 -3.395 295 HH2 TRP 38 HH2 TRP 38 7.390 6.855 -3.631 296 H GLU 39 H GLU 39 2.543 -0.390 -7.510 297 HA GLU 39 HA GLU 39 -0.320 -0.028 -7.976 298 HB2 GLU 39 HB2 GLU 39 -0.031 -2.027 -9.383 299 HB3 GLU 39 HB3 GLU 39 1.146 -0.767 -9.772 300 HG2 GLU 39 HG2 GLU 39 2.873 -1.995 -8.435 301 HG3 GLU 39 HG3 GLU 39 1.692 -3.269 -8.119 302 H ARG 40 H ARG 40 -1.920 -1.696 -7.271 303 HA ARG 40 HA ARG 40 -1.450 -2.546 -4.606 304 HB2 ARG 40 HB2 ARG 40 -3.595 -3.322 -6.580 305 HB3 ARG 40 HB3 ARG 40 -3.556 -3.920 -4.925 306 HG2 ARG 40 HG2 ARG 40 -4.040 -1.853 -3.972 307 HG3 ARG 40 HG3 ARG 40 -3.383 -0.957 -5.301 308 HD2 ARG 40 HD2 ARG 40 -5.820 -0.753 -5.378 309 HD3 ARG 40 HD3 ARG 40 -5.338 -1.762 -6.738 310 HE ARG 40 HE ARG 40 -5.824 -3.409 -4.452 311 HH11 ARG 40 HH11 ARG 40 -7.613 -1.801 -7.073 312 HH12 ARG 40 HH12 ARG 40 -9.073 -2.673 -6.770 313 HH21 ARG 40 HH21 ARG 40 -7.591 -4.702 -4.234 314 HH22 ARG 40 HH22 ARG 40 -8.960 -4.560 -5.311 315 HA PRO 41 HA PRO 41 0.704 -6.342 -5.793 316 HB2 PRO 41 HB2 PRO 41 1.144 -7.333 -3.258 317 HB3 PRO 41 HB3 PRO 41 2.060 -5.949 -3.964 318 HG2 PRO 41 HG2 PRO 41 -0.251 -5.940 -2.059 319 HG3 PRO 41 HG3 PRO 41 1.175 -4.873 -2.033 320 HD2 PRO 41 HD2 PRO 41 -1.330 -4.172 -3.041 321 HD3 PRO 41 HD3 PRO 41 0.196 -3.423 -3.523 322 H SER 42 H SER 42 0.610 -8.770 -4.850 323 HA SER 42 HA SER 42 -2.017 -9.681 -4.110 324 HB2 SER 42 HB2 SER 42 -1.830 -11.409 -5.986 325 HB3 SER 42 HB3 SER 42 -2.352 -9.789 -6.451 326 HG SER 42 HG SER 42 -0.514 -11.094 -7.564 327 H GLY 43 H GLY 43 -1.792 -11.164 -2.800 328 HA2 GLY 43 HA2 GLY 43 0.819 -12.544 -2.217 329 HA3 GLY 43 HA3 GLY 43 -0.394 -12.141 -0.976 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -16.003 4.455 -7.497 2 HA2 GLY 1 HA2 GLY 1 -15.920 6.864 -7.161 3 HA3 GLY 1 HA3 GLY 1 -17.608 6.303 -7.148 4 H LEU 2 H LEU 2 -18.517 7.773 -5.580 5 HA LEU 2 HA LEU 2 -17.036 8.394 -3.123 6 HB2 LEU 2 HB2 LEU 2 -19.923 8.974 -3.890 7 HB3 LEU 2 HB3 LEU 2 -19.180 9.374 -2.358 8 HG LEU 2 HG LEU 2 -17.409 10.686 -3.753 9 HD11 LEU 2 HD11 LEU 2 -19.715 10.585 -5.750 10 HD12 LEU 2 HD12 LEU 2 -18.071 9.954 -6.012 11 HD13 LEU 2 HD13 LEU 2 -18.318 11.685 -5.831 12 HD21 LEU 2 HD21 LEU 2 -18.968 12.677 -3.737 13 HD22 LEU 2 HD22 LEU 2 -18.931 11.749 -2.232 14 HD23 LEU 2 HD23 LEU 2 -20.291 11.564 -3.353 15 H GLU 3 H GLU 3 -16.608 6.435 -2.167 16 HA GLU 3 HA GLU 3 -18.887 4.911 -1.037 17 HB2 GLU 3 HB2 GLU 3 -16.472 3.945 -2.629 18 HB3 GLU 3 HB3 GLU 3 -17.235 2.883 -1.441 19 HG2 GLU 3 HG2 GLU 3 -19.247 2.755 -2.581 20 HG3 GLU 3 HG3 GLU 3 -19.002 4.247 -3.469 21 H HIS 4 H HIS 4 -17.984 3.502 0.801 22 HA HIS 4 HA HIS 4 -15.841 4.980 2.287 23 HB2 HIS 4 HB2 HIS 4 -18.477 3.896 3.308 24 HB3 HIS 4 HB3 HIS 4 -17.117 4.330 4.351 25 HD1 HIS 4 HD1 HIS 4 -16.174 7.010 3.737 26 HD2 HIS 4 HD2 HIS 4 -20.159 5.870 2.938 27 HE1 HIS 4 HE1 HIS 4 -17.510 9.166 3.466 28 H MET 5 H MET 5 -17.466 1.895 3.195 29 HA MET 5 HA MET 5 -14.855 0.677 3.496 30 HB2 MET 5 HB2 MET 5 -17.621 -0.614 3.476 31 HB3 MET 5 HB3 MET 5 -16.111 -1.405 3.915 32 HG2 MET 5 HG2 MET 5 -15.802 0.394 5.697 33 HG3 MET 5 HG3 MET 5 -17.457 0.893 5.357 34 HE1 MET 5 HE1 MET 5 -18.272 -0.708 8.662 35 HE2 MET 5 HE2 MET 5 -17.316 0.639 8.022 36 HE3 MET 5 HE3 MET 5 -18.956 0.351 7.409 37 H ALA 6 H ALA 6 -13.656 -0.347 1.957 38 HA ALA 6 HA ALA 6 -14.875 -1.569 -0.399 39 HB1 ALA 6 HB1 ALA 6 -13.421 -0.369 -1.933 40 HB2 ALA 6 HB2 ALA 6 -14.340 0.826 -1.030 41 HB3 ALA 6 HB3 ALA 6 -12.642 0.522 -0.596 42 H ASP 7 H ASP 7 -13.387 -3.256 -1.187 43 HA ASP 7 HA ASP 7 -11.492 -4.150 0.920 44 HB2 ASP 7 HB2 ASP 7 -12.725 -5.455 -1.524 45 HB3 ASP 7 HB3 ASP 7 -11.386 -6.190 -0.653 46 H GLU 8 H GLU 8 -11.548 -2.976 -2.341 47 HA GLU 8 HA GLU 8 -8.997 -3.721 -3.235 48 HB2 GLU 8 HB2 GLU 8 -9.474 -1.924 -4.910 49 HB3 GLU 8 HB3 GLU 8 -10.818 -3.011 -4.656 50 HG2 GLU 8 HG2 GLU 8 -12.011 -1.076 -4.588 51 HG3 GLU 8 HG3 GLU 8 -11.574 -1.091 -2.896 52 H GLU 9 H GLU 9 -9.865 -1.554 -0.858 53 HA GLU 9 HA GLU 9 -7.674 0.344 -0.974 54 HB2 GLU 9 HB2 GLU 9 -10.153 0.609 -0.306 55 HB3 GLU 9 HB3 GLU 9 -9.758 -0.214 1.186 56 HG2 GLU 9 HG2 GLU 9 -8.470 2.371 0.194 57 HG3 GLU 9 HG3 GLU 9 -9.872 2.300 1.260 58 H LYS 10 H LYS 10 -8.354 -2.778 0.527 59 HA LYS 10 HA LYS 10 -6.259 -2.522 2.556 60 HB2 LYS 10 HB2 LYS 10 -8.298 -4.724 1.952 61 HB3 LYS 10 HB3 LYS 10 -7.054 -4.806 3.196 62 HG2 LYS 10 HG2 LYS 10 -8.884 -4.086 4.409 63 HG3 LYS 10 HG3 LYS 10 -7.988 -2.606 4.111 64 HD2 LYS 10 HD2 LYS 10 -9.691 -2.426 2.024 65 HD3 LYS 10 HD3 LYS 10 -10.663 -3.475 3.003 66 HE2 LYS 10 HE2 LYS 10 -9.379 -1.013 4.208 67 HE3 LYS 10 HE3 LYS 10 -10.788 -0.823 3.154 68 HZ1 LYS 10 HZ1 LYS 10 -10.838 -2.619 5.500 69 HZ2 LYS 10 HZ2 LYS 10 -12.089 -2.187 4.566 70 HZ3 LYS 10 HZ3 LYS 10 -11.393 -1.061 5.537 71 H LEU 11 H LEU 11 -4.271 -2.939 2.051 72 HA LEU 11 HA LEU 11 -3.486 -4.223 -0.346 73 HB2 LEU 11 HB2 LEU 11 -2.061 -3.404 2.191 74 HB3 LEU 11 HB3 LEU 11 -1.184 -4.328 0.995 75 HG LEU 11 HG LEU 11 -0.909 -1.864 0.796 76 HD11 LEU 11 HD11 LEU 11 -1.230 -1.811 -1.729 77 HD12 LEU 11 HD12 LEU 11 -2.104 -3.310 -1.632 78 HD13 LEU 11 HD13 LEU 11 -0.398 -3.250 -1.121 79 HD21 LEU 11 HD21 LEU 11 -3.250 -1.148 1.298 80 HD22 LEU 11 HD22 LEU 11 -3.773 -1.800 -0.276 81 HD23 LEU 11 HD23 LEU 11 -2.662 -0.470 -0.209 82 HA PRO 12 HA PRO 12 -3.675 -8.518 0.378 83 HB2 PRO 12 HB2 PRO 12 -1.359 -9.445 -0.914 84 HB3 PRO 12 HB3 PRO 12 -2.903 -9.041 -1.700 85 HG2 PRO 12 HG2 PRO 12 -0.377 -7.453 -1.485 86 HG3 PRO 12 HG3 PRO 12 -1.548 -7.484 -2.826 87 HD2 PRO 12 HD2 PRO 12 -1.359 -5.483 -0.938 88 HD3 PRO 12 HD3 PRO 12 -2.846 -5.853 -1.833 89 HA PRO 13 HA PRO 13 -1.262 -9.896 3.771 90 HB2 PRO 13 HB2 PRO 13 -0.666 -12.553 3.235 91 HB3 PRO 13 HB3 PRO 13 -2.251 -11.949 3.803 92 HG2 PRO 13 HG2 PRO 13 -1.411 -12.567 0.969 93 HG3 PRO 13 HG3 PRO 13 -2.941 -12.984 1.807 94 HD2 PRO 13 HD2 PRO 13 -2.780 -10.878 0.144 95 HD3 PRO 13 HD3 PRO 13 -3.743 -10.764 1.638 96 H GLY 14 H GLY 14 0.666 -9.277 4.180 97 HA2 GLY 14 HA2 GLY 14 3.051 -9.519 4.219 98 HA3 GLY 14 HA3 GLY 14 3.031 -9.932 2.512 99 H TRP 15 H TRP 15 1.086 -7.744 1.780 100 HA TRP 15 HA TRP 15 3.090 -5.629 1.715 101 HB2 TRP 15 HB2 TRP 15 0.466 -6.045 0.286 102 HB3 TRP 15 HB3 TRP 15 1.435 -4.604 0.118 103 HD1 TRP 15 HD1 TRP 15 1.593 -8.347 -0.814 104 HE1 TRP 15 HE1 TRP 15 3.272 -8.618 -2.725 105 HE3 TRP 15 HE3 TRP 15 3.625 -3.690 -0.686 106 HZ2 TRP 15 HZ2 TRP 15 5.172 -6.889 -4.148 107 HZ3 TRP 15 HZ3 TRP 15 5.404 -3.034 -2.267 108 HH2 TRP 15 HH2 TRP 15 6.206 -4.648 -3.996 109 H GLU 16 H GLU 16 2.788 -3.591 2.465 110 HA GLU 16 HA GLU 16 0.406 -2.924 4.091 111 HB2 GLU 16 HB2 GLU 16 3.389 -2.771 4.731 112 HB3 GLU 16 HB3 GLU 16 2.155 -1.927 5.678 113 HG2 GLU 16 HG2 GLU 16 2.021 -4.921 5.245 114 HG3 GLU 16 HG3 GLU 16 3.046 -4.220 6.498 115 H LYS 17 H LYS 17 -0.240 -0.913 3.788 116 HA LYS 17 HA LYS 17 1.109 0.804 1.793 117 HB2 LYS 17 HB2 LYS 17 -1.247 0.681 1.747 118 HB3 LYS 17 HB3 LYS 17 -1.401 1.135 3.460 119 HG2 LYS 17 HG2 LYS 17 -0.483 3.389 2.963 120 HG3 LYS 17 HG3 LYS 17 -0.324 2.969 1.246 121 HD2 LYS 17 HD2 LYS 17 -2.677 2.832 0.975 122 HD3 LYS 17 HD3 LYS 17 -2.972 2.652 2.707 123 HE2 LYS 17 HE2 LYS 17 -2.278 4.972 3.129 124 HE3 LYS 17 HE3 LYS 17 -1.966 5.207 1.400 125 HZ1 LYS 17 HZ1 LYS 17 -4.569 4.497 2.554 126 HZ2 LYS 17 HZ2 LYS 17 -4.275 4.867 0.961 127 HZ3 LYS 17 HZ3 LYS 17 -4.127 6.024 2.158 128 H ARG 18 H ARG 18 2.736 2.163 2.214 129 HA ARG 18 HA ARG 18 2.979 3.387 4.911 130 HB2 ARG 18 HB2 ARG 18 5.018 2.334 2.927 131 HB3 ARG 18 HB3 ARG 18 5.453 3.187 4.389 132 HG2 ARG 18 HG2 ARG 18 3.944 0.530 4.307 133 HG3 ARG 18 HG3 ARG 18 5.654 0.746 4.553 134 HD2 ARG 18 HD2 ARG 18 5.144 2.111 6.625 135 HD3 ARG 18 HD3 ARG 18 3.427 1.780 6.373 136 HE ARG 18 HE ARG 18 5.570 -0.195 7.021 137 HH11 ARG 18 HH11 ARG 18 2.115 0.766 7.483 138 HH12 ARG 18 HH12 ARG 18 1.747 -0.717 8.276 139 HH21 ARG 18 HH21 ARG 18 4.863 -2.264 7.911 140 HH22 ARG 18 HH22 ARG 18 3.254 -2.357 8.529 141 H MET 19 H MET 19 4.775 5.227 4.535 142 HA MET 19 HA MET 19 4.227 6.834 2.195 143 HB2 MET 19 HB2 MET 19 2.484 7.616 3.783 144 HB3 MET 19 HB3 MET 19 3.727 7.882 5.020 145 HG2 MET 19 HG2 MET 19 4.855 9.509 3.517 146 HG3 MET 19 HG3 MET 19 3.605 9.259 2.300 147 HE1 MET 19 HE1 MET 19 0.923 9.274 3.843 148 HE2 MET 19 HE2 MET 19 0.516 10.994 3.814 149 HE3 MET 19 HE3 MET 19 1.231 10.250 2.378 150 H GLU 20 H GLU 20 6.083 7.999 1.671 151 HA GLU 20 HA GLU 20 8.468 7.322 3.149 152 HB2 GLU 20 HB2 GLU 20 7.831 8.665 0.543 153 HB3 GLU 20 HB3 GLU 20 9.372 9.081 1.294 154 HG2 GLU 20 HG2 GLU 20 8.521 6.207 0.881 155 HG3 GLU 20 HG3 GLU 20 9.433 7.120 -0.314 156 H ARG 21 H ARG 21 9.132 8.470 4.928 157 HA ARG 21 HA ARG 21 7.967 11.078 5.437 158 HB2 ARG 21 HB2 ARG 21 8.709 9.493 7.230 159 HB3 ARG 21 HB3 ARG 21 10.377 9.693 6.713 160 HG2 ARG 21 HG2 ARG 21 9.958 11.027 8.670 161 HG3 ARG 21 HG3 ARG 21 10.281 12.113 7.325 162 HD2 ARG 21 HD2 ARG 21 7.889 12.586 7.070 163 HD3 ARG 21 HD3 ARG 21 7.477 11.348 8.279 164 HE ARG 21 HE ARG 21 9.247 13.174 9.489 165 HH11 ARG 21 HH11 ARG 21 5.940 13.146 8.221 166 HH12 ARG 21 HH12 ARG 21 5.392 14.471 9.178 167 HH21 ARG 21 HH21 ARG 21 8.509 14.783 10.946 168 HH22 ARG 21 HH22 ARG 21 6.923 15.447 10.785 169 H SER 22 H SER 22 10.759 9.901 3.696 170 HA SER 22 HA SER 22 12.444 12.083 3.674 171 HB2 SER 22 HB2 SER 22 12.134 9.629 2.196 172 HB3 SER 22 HB3 SER 22 12.438 10.927 1.032 173 HG SER 22 HG SER 22 14.252 11.510 2.146 174 H SER 23 H SER 23 9.949 11.432 1.135 175 HA SER 23 HA SER 23 9.961 14.336 0.456 176 HB2 SER 23 HB2 SER 23 9.108 11.927 -1.151 177 HB3 SER 23 HB3 SER 23 9.251 13.594 -1.747 178 HG SER 23 HG SER 23 11.087 12.345 -2.258 179 H GLY 24 H GLY 24 7.860 11.669 1.530 180 HA2 GLY 24 HA2 GLY 24 5.811 11.940 2.581 181 HA3 GLY 24 HA3 GLY 24 5.649 13.543 1.885 182 H ARG 25 H ARG 25 6.070 10.085 0.628 183 HA ARG 25 HA ARG 25 3.741 10.665 -1.088 184 HB2 ARG 25 HB2 ARG 25 5.999 11.023 -2.235 185 HB3 ARG 25 HB3 ARG 25 6.289 9.311 -2.009 186 HG2 ARG 25 HG2 ARG 25 5.476 9.481 -4.205 187 HG3 ARG 25 HG3 ARG 25 4.135 8.808 -3.280 188 HD2 ARG 25 HD2 ARG 25 4.386 11.740 -3.911 189 HD3 ARG 25 HD3 ARG 25 3.639 10.593 -5.050 190 HE ARG 25 HE ARG 25 2.490 11.769 -2.702 191 HH11 ARG 25 HH11 ARG 25 2.136 8.715 -4.696 192 HH12 ARG 25 HH12 ARG 25 0.616 8.386 -3.988 193 HH21 ARG 25 HH21 ARG 25 0.491 11.338 -2.002 194 HH22 ARG 25 HH22 ARG 25 -0.371 9.902 -2.449 195 H VAL 26 H VAL 26 2.440 8.818 -1.419 196 HA VAL 26 HA VAL 26 2.835 6.744 0.630 197 HB VAL 26 HB VAL 26 0.574 7.322 -1.327 198 HG11 VAL 26 HG11 VAL 26 -0.792 5.843 0.049 199 HG12 VAL 26 HG12 VAL 26 0.533 4.934 -0.645 200 HG13 VAL 26 HG13 VAL 26 0.620 5.420 1.061 201 HG21 VAL 26 HG21 VAL 26 -0.558 8.011 0.867 202 HG22 VAL 26 HG22 VAL 26 1.049 7.986 1.606 203 HG23 VAL 26 HG23 VAL 26 0.693 9.112 0.276 204 H TYR 27 H TYR 27 2.908 4.527 0.145 205 HA TYR 27 HA TYR 27 3.106 3.513 -2.528 206 HB2 TYR 27 HB2 TYR 27 5.432 2.895 -2.521 207 HB3 TYR 27 HB3 TYR 27 5.367 4.621 -2.255 208 HD1 TYR 27 HD2 TYR 27 5.613 5.507 0.207 209 HD2 TYR 27 HD1 TYR 27 6.547 1.494 -1.034 210 HE1 TYR 27 HE2 TYR 27 6.875 5.120 2.325 211 HE2 TYR 27 HE1 TYR 27 7.726 1.112 1.097 212 HH TYR 27 HH TYR 27 8.259 3.672 3.500 213 H TYR 28 H TYR 28 3.938 1.077 -2.187 214 HA TYR 28 HA TYR 28 2.647 -0.011 0.267 215 HB2 TYR 28 HB2 TYR 28 2.964 -1.267 -2.487 216 HB3 TYR 28 HB3 TYR 28 2.115 -1.943 -1.121 217 HD1 TYR 28 HD1 TYR 28 0.388 -0.027 -0.028 218 HD2 TYR 28 HD2 TYR 28 1.538 -0.350 -4.171 219 HE1 TYR 28 HE1 TYR 28 -1.613 1.253 -0.647 220 HE2 TYR 28 HE2 TYR 28 -0.450 0.939 -4.819 221 HH TYR 28 HH TYR 28 -2.340 2.028 -4.105 222 H PHE 29 H PHE 29 3.767 -1.703 1.375 223 HA PHE 29 HA PHE 29 6.587 -2.206 0.546 224 HB2 PHE 29 HB2 PHE 29 6.393 -0.395 2.280 225 HB3 PHE 29 HB3 PHE 29 5.607 -1.553 3.346 226 HD1 PHE 29 HD2 PHE 29 6.904 -3.560 4.207 227 HD2 PHE 29 HD1 PHE 29 8.798 -0.491 1.828 228 HE1 PHE 29 HE2 PHE 29 9.132 -4.503 4.702 229 HE2 PHE 29 HE1 PHE 29 10.997 -1.442 2.335 230 HZ PHE 29 HZ PHE 29 11.176 -3.426 3.741 231 H ASN 30 H ASN 30 7.039 -4.327 0.567 232 HA ASN 30 HA ASN 30 5.064 -6.248 1.674 233 HB2 ASN 30 HB2 ASN 30 5.896 -6.422 -0.660 234 HB3 ASN 30 HB3 ASN 30 7.494 -6.787 -0.024 235 HD21 ASN 30 HD21 ASN 30 6.560 -8.737 -1.633 236 HD22 ASN 30 HD22 ASN 30 6.015 -10.096 -0.678 237 H HIS 31 H HIS 31 5.468 -6.783 3.876 238 HA HIS 31 HA HIS 31 8.156 -6.519 4.906 239 HB2 HIS 31 HB2 HIS 31 7.249 -7.095 6.998 240 HB3 HIS 31 HB3 HIS 31 6.074 -6.051 6.198 241 HD1 HIS 31 HD1 HIS 31 6.597 -9.732 7.229 242 HD2 HIS 31 HD2 HIS 31 3.630 -7.055 5.859 243 HE1 HIS 31 HE1 HIS 31 4.378 -10.916 7.442 244 H ILE 32 H ILE 32 6.603 -8.999 3.170 245 HA ILE 32 HA ILE 32 7.855 -11.259 4.518 246 HB ILE 32 HB ILE 32 6.563 -10.950 1.788 247 HG12 ILE 32 HG12 ILE 32 5.711 -12.432 4.322 248 HG13 ILE 32 HG13 ILE 32 5.145 -10.820 3.886 249 HG21 ILE 32 HG21 ILE 32 6.628 -13.424 1.582 250 HG22 ILE 32 HG22 ILE 32 8.208 -12.676 1.484 251 HG23 ILE 32 HG23 ILE 32 7.707 -13.486 2.992 252 HD11 ILE 32 HD11 ILE 32 4.157 -11.758 1.788 253 HD12 ILE 32 HD12 ILE 32 4.564 -13.387 2.373 254 HD13 ILE 32 HD13 ILE 32 3.437 -12.377 3.285 255 H THR 33 H THR 33 8.723 -9.257 1.660 256 HA THR 33 HA THR 33 11.443 -10.481 1.870 257 HB THR 33 HB THR 33 10.089 -11.352 -0.020 258 HG1 THR 33 HG1 THR 33 12.404 -9.935 -0.771 259 HG21 THR 33 HG21 THR 33 8.959 -9.276 -0.738 260 HG22 THR 33 HG22 THR 33 9.866 -10.039 -2.054 261 HG23 THR 33 HG23 THR 33 10.538 -8.619 -1.238 262 H ASN 34 H ASN 34 9.988 -7.801 2.768 263 HA ASN 34 HA ASN 34 10.698 -5.736 3.232 264 HB2 ASN 34 HB2 ASN 34 12.809 -7.152 3.791 265 HB3 ASN 34 HB3 ASN 34 13.486 -6.474 2.323 266 HD21 ASN 34 HD21 ASN 34 11.916 -5.534 5.408 267 HD22 ASN 34 HD22 ASN 34 12.787 -4.044 5.627 268 H ALA 35 H ALA 35 9.709 -6.409 0.560 269 HA ALA 35 HA ALA 35 11.122 -4.637 -1.327 270 HB1 ALA 35 HB1 ALA 35 8.824 -6.640 -1.645 271 HB2 ALA 35 HB2 ALA 35 9.317 -5.531 -2.920 272 HB3 ALA 35 HB3 ALA 35 10.466 -6.711 -2.297 273 H SER 36 H SER 36 9.446 -3.294 -2.715 274 HA SER 36 HA SER 36 7.215 -2.181 -1.386 275 HB2 SER 36 HB2 SER 36 8.169 -0.525 -0.265 276 HB3 SER 36 HB3 SER 36 9.774 -1.024 -0.780 277 HG SER 36 HG SER 36 9.332 1.158 -1.310 278 H GLN 37 H GLN 37 5.931 -0.952 -2.870 279 HA GLN 37 HA GLN 37 6.962 -0.347 -5.508 280 HB2 GLN 37 HB2 GLN 37 4.995 -2.620 -4.945 281 HB3 GLN 37 HB3 GLN 37 4.875 -1.717 -6.450 282 HG2 GLN 37 HG2 GLN 37 7.274 -3.367 -5.570 283 HG3 GLN 37 HG3 GLN 37 6.097 -3.763 -6.804 284 HE21 GLN 37 HE21 GLN 37 8.918 -1.847 -6.069 285 HE22 GLN 37 HE22 GLN 37 9.211 -1.229 -7.682 286 H TRP 38 H TRP 38 5.418 0.877 -6.731 287 HA TRP 38 HA TRP 38 3.591 2.472 -5.047 288 HB2 TRP 38 HB2 TRP 38 4.250 2.750 -8.001 289 HB3 TRP 38 HB3 TRP 38 3.594 3.968 -6.914 290 HD1 TRP 38 HD1 TRP 38 6.900 2.275 -7.907 291 HE1 TRP 38 HE1 TRP 38 8.861 3.563 -6.845 292 HE3 TRP 38 HE3 TRP 38 4.294 5.513 -4.875 293 HZ2 TRP 38 HZ2 TRP 38 9.234 6.002 -5.367 294 HZ3 TRP 38 HZ3 TRP 38 5.480 7.247 -3.672 295 HH2 TRP 38 HH2 TRP 38 7.926 7.609 -3.974 296 H GLU 39 H GLU 39 3.651 0.276 -7.779 297 HA GLU 39 HA GLU 39 0.902 0.475 -8.586 298 HB2 GLU 39 HB2 GLU 39 3.143 -1.562 -9.051 299 HB3 GLU 39 HB3 GLU 39 1.576 -1.635 -9.842 300 HG2 GLU 39 HG2 GLU 39 3.693 0.537 -10.108 301 HG3 GLU 39 HG3 GLU 39 3.218 -0.632 -11.340 302 H ARG 40 H ARG 40 -0.803 -0.571 -7.804 303 HA ARG 40 HA ARG 40 -0.964 -1.793 -5.347 304 HB2 ARG 40 HB2 ARG 40 -2.712 -1.827 -7.788 305 HB3 ARG 40 HB3 ARG 40 -3.117 -2.878 -6.432 306 HG2 ARG 40 HG2 ARG 40 -3.404 -1.083 -4.915 307 HG3 ARG 40 HG3 ARG 40 -2.598 0.076 -5.980 308 HD2 ARG 40 HD2 ARG 40 -5.095 0.334 -5.903 309 HD3 ARG 40 HD3 ARG 40 -4.415 0.097 -7.522 310 HE ARG 40 HE ARG 40 -5.417 -2.295 -6.079 311 HH11 ARG 40 HH11 ARG 40 -6.088 0.073 -8.668 312 HH12 ARG 40 HH12 ARG 40 -6.936 -1.077 -9.631 313 HH21 ARG 40 HH21 ARG 40 -6.569 -3.718 -7.298 314 HH22 ARG 40 HH22 ARG 40 -7.353 -3.218 -8.787 315 HA PRO 41 HA PRO 41 0.906 -5.780 -6.447 316 HB2 PRO 41 HB2 PRO 41 1.317 -6.722 -3.932 317 HB3 PRO 41 HB3 PRO 41 2.268 -5.371 -4.605 318 HG2 PRO 41 HG2 PRO 41 -0.155 -5.246 -2.793 319 HG3 PRO 41 HG3 PRO 41 1.382 -4.356 -2.603 320 HD2 PRO 41 HD2 PRO 41 -0.861 -3.283 -3.762 321 HD3 PRO 41 HD3 PRO 41 0.803 -2.815 -4.236 322 H SER 42 H SER 42 0.503 -8.113 -5.646 323 HA SER 42 HA SER 42 -2.165 -8.728 -4.753 324 HB2 SER 42 HB2 SER 42 -0.898 -9.680 -7.379 325 HB3 SER 42 HB3 SER 42 -2.318 -10.410 -6.626 326 HG SER 42 HG SER 42 -2.029 -7.793 -7.706 327 H GLY 43 H GLY 43 -1.934 -10.249 -3.355 328 HA2 GLY 43 HA2 GLY 43 0.669 -11.560 -2.773 329 HA3 GLY 43 HA3 GLY 43 -0.784 -11.580 -1.740 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -26.765 10.934 -3.559 2 HA2 GLY 1 HA2 GLY 1 -25.516 10.941 -1.442 3 HA3 GLY 1 HA3 GLY 1 -26.755 9.667 -1.454 4 H LEU 2 H LEU 2 -23.379 10.187 -2.598 5 HA LEU 2 HA LEU 2 -22.713 7.364 -2.278 6 HB2 LEU 2 HB2 LEU 2 -21.018 9.809 -2.960 7 HB3 LEU 2 HB3 LEU 2 -20.489 8.132 -3.109 8 HG LEU 2 HG LEU 2 -22.789 9.353 -4.695 9 HD11 LEU 2 HD11 LEU 2 -21.222 9.299 -6.608 10 HD12 LEU 2 HD12 LEU 2 -19.922 8.799 -5.519 11 HD13 LEU 2 HD13 LEU 2 -20.676 10.392 -5.319 12 HD21 LEU 2 HD21 LEU 2 -21.359 6.687 -5.050 13 HD22 LEU 2 HD22 LEU 2 -22.637 7.344 -6.091 14 HD23 LEU 2 HD23 LEU 2 -22.998 6.913 -4.417 15 H GLU 3 H GLU 3 -20.470 6.995 -1.192 16 HA GLU 3 HA GLU 3 -19.966 8.484 1.257 17 HB2 GLU 3 HB2 GLU 3 -20.421 6.657 2.718 18 HB3 GLU 3 HB3 GLU 3 -21.855 6.874 1.719 19 HG2 GLU 3 HG2 GLU 3 -20.713 5.016 0.193 20 HG3 GLU 3 HG3 GLU 3 -19.840 4.631 1.679 21 H HIS 4 H HIS 4 -18.143 6.895 2.410 22 HA HIS 4 HA HIS 4 -16.190 6.258 0.255 23 HB2 HIS 4 HB2 HIS 4 -15.837 8.244 1.851 24 HB3 HIS 4 HB3 HIS 4 -15.571 7.055 3.120 25 HD1 HIS 4 HD1 HIS 4 -14.093 8.100 -0.339 26 HD2 HIS 4 HD2 HIS 4 -13.111 6.141 3.283 27 HE1 HIS 4 HE1 HIS 4 -11.581 7.693 -0.375 28 H MET 5 H MET 5 -16.747 4.094 -0.060 29 HA MET 5 HA MET 5 -16.276 2.235 2.184 30 HB2 MET 5 HB2 MET 5 -18.738 2.592 2.044 31 HB3 MET 5 HB3 MET 5 -18.702 2.158 0.335 32 HG2 MET 5 HG2 MET 5 -19.432 0.247 1.539 33 HG3 MET 5 HG3 MET 5 -17.799 -0.110 1.001 34 HE1 MET 5 HE1 MET 5 -19.540 -1.682 3.201 35 HE2 MET 5 HE2 MET 5 -17.922 -2.195 2.676 36 HE3 MET 5 HE3 MET 5 -18.286 -2.049 4.409 37 H ALA 6 H ALA 6 -14.276 1.922 1.200 38 HA ALA 6 HA ALA 6 -14.285 0.308 -1.290 39 HB1 ALA 6 HB1 ALA 6 -12.363 2.583 -0.603 40 HB2 ALA 6 HB2 ALA 6 -12.112 1.395 -1.897 41 HB3 ALA 6 HB3 ALA 6 -13.489 2.521 -1.974 42 H ASP 7 H ASP 7 -13.567 -1.667 -0.630 43 HA ASP 7 HA ASP 7 -11.919 -1.806 1.863 44 HB2 ASP 7 HB2 ASP 7 -14.196 -2.923 1.808 45 HB3 ASP 7 HB3 ASP 7 -13.486 -4.077 0.667 46 H GLU 8 H GLU 8 -11.805 -2.233 -1.558 47 HA GLU 8 HA GLU 8 -9.816 -4.241 -1.659 48 HB2 GLU 8 HB2 GLU 8 -9.532 -3.574 -3.947 49 HB3 GLU 8 HB3 GLU 8 -11.230 -3.511 -3.525 50 HG2 GLU 8 HG2 GLU 8 -10.837 -0.958 -3.116 51 HG3 GLU 8 HG3 GLU 8 -9.301 -1.197 -3.961 52 H GLU 9 H GLU 9 -9.626 -1.232 -0.354 53 HA GLU 9 HA GLU 9 -6.925 -0.367 -0.851 54 HB2 GLU 9 HB2 GLU 9 -8.957 0.997 -0.157 55 HB3 GLU 9 HB3 GLU 9 -8.878 0.222 1.419 56 HG2 GLU 9 HG2 GLU 9 -7.923 2.399 1.570 57 HG3 GLU 9 HG3 GLU 9 -6.616 1.256 1.769 58 H LYS 10 H LYS 10 -8.131 -3.078 0.753 59 HA LYS 10 HA LYS 10 -6.160 -3.214 2.960 60 HB2 LYS 10 HB2 LYS 10 -8.348 -5.108 1.974 61 HB3 LYS 10 HB3 LYS 10 -7.275 -5.432 3.318 62 HG2 LYS 10 HG2 LYS 10 -9.436 -3.293 3.188 63 HG3 LYS 10 HG3 LYS 10 -9.376 -4.734 4.192 64 HD2 LYS 10 HD2 LYS 10 -8.827 -3.091 5.693 65 HD3 LYS 10 HD3 LYS 10 -7.210 -3.637 5.215 66 HE2 LYS 10 HE2 LYS 10 -7.080 -1.709 3.610 67 HE3 LYS 10 HE3 LYS 10 -8.730 -1.254 4.027 68 HZ1 LYS 10 HZ1 LYS 10 -6.481 -1.316 5.937 69 HZ2 LYS 10 HZ2 LYS 10 -8.000 -0.767 6.243 70 HZ3 LYS 10 HZ3 LYS 10 -6.997 0.025 5.164 71 H LEU 11 H LEU 11 -4.197 -3.248 1.981 72 HA LEU 11 HA LEU 11 -3.489 -4.538 -0.334 73 HB2 LEU 11 HB2 LEU 11 -2.058 -3.653 2.184 74 HB3 LEU 11 HB3 LEU 11 -1.137 -4.592 1.057 75 HG LEU 11 HG LEU 11 -0.873 -2.164 0.736 76 HD11 LEU 11 HD11 LEU 11 -1.271 -2.097 -1.760 77 HD12 LEU 11 HD12 LEU 11 -2.186 -3.569 -1.649 78 HD13 LEU 11 HD13 LEU 11 -0.465 -3.559 -1.198 79 HD21 LEU 11 HD21 LEU 11 -2.680 -0.766 -0.171 80 HD22 LEU 11 HD22 LEU 11 -3.175 -1.453 1.369 81 HD23 LEU 11 HD23 LEU 11 -3.789 -2.107 -0.177 82 HA PRO 12 HA PRO 12 -3.463 -8.807 0.404 83 HB2 PRO 12 HB2 PRO 12 -1.113 -9.652 -0.870 84 HB3 PRO 12 HB3 PRO 12 -2.653 -9.289 -1.721 85 HG2 PRO 12 HG2 PRO 12 -0.196 -7.608 -1.398 86 HG3 PRO 12 HG3 PRO 12 -1.300 -7.723 -2.802 87 HD2 PRO 12 HD2 PRO 12 -1.296 -5.691 -0.979 88 HD3 PRO 12 HD3 PRO 12 -2.754 -6.187 -1.883 89 HA PRO 13 HA PRO 13 -0.884 -9.957 3.725 90 HB2 PRO 13 HB2 PRO 13 -0.251 -12.603 3.359 91 HB3 PRO 13 HB3 PRO 13 -1.869 -12.017 3.879 92 HG2 PRO 13 HG2 PRO 13 -0.945 -12.733 1.079 93 HG3 PRO 13 HG3 PRO 13 -2.472 -13.232 1.914 94 HD2 PRO 13 HD2 PRO 13 -2.365 -11.160 0.163 95 HD3 PRO 13 HD3 PRO 13 -3.373 -11.057 1.620 96 H GLY 14 H GLY 14 1.082 -9.504 4.161 97 HA2 GLY 14 HA2 GLY 14 3.442 -9.740 4.114 98 HA3 GLY 14 HA3 GLY 14 3.388 -10.087 2.379 99 H TRP 15 H TRP 15 1.381 -7.817 1.924 100 HA TRP 15 HA TRP 15 3.422 -5.702 1.828 101 HB2 TRP 15 HB2 TRP 15 0.727 -6.052 0.492 102 HB3 TRP 15 HB3 TRP 15 1.760 -4.648 0.296 103 HD1 TRP 15 HD1 TRP 15 1.726 -8.418 -0.583 104 HE1 TRP 15 HE1 TRP 15 3.133 -8.763 -2.631 105 HE3 TRP 15 HE3 TRP 15 3.889 -3.812 -0.740 106 HZ2 TRP 15 HZ2 TRP 15 5.121 -7.189 -4.177 107 HZ3 TRP 15 HZ3 TRP 15 5.512 -3.238 -2.527 108 HH2 TRP 15 HH2 TRP 15 6.151 -4.938 -4.232 109 H GLU 16 H GLU 16 2.936 -3.589 2.382 110 HA GLU 16 HA GLU 16 0.680 -2.956 4.189 111 HB2 GLU 16 HB2 GLU 16 3.678 -2.936 4.704 112 HB3 GLU 16 HB3 GLU 16 2.680 -1.704 5.471 113 HG2 GLU 16 HG2 GLU 16 1.898 -4.621 5.714 114 HG3 GLU 16 HG3 GLU 16 3.180 -3.950 6.719 115 H LYS 17 H LYS 17 -0.128 -0.974 3.615 116 HA LYS 17 HA LYS 17 1.274 0.616 1.546 117 HB2 LYS 17 HB2 LYS 17 -1.126 0.183 1.368 118 HB3 LYS 17 HB3 LYS 17 -1.408 0.867 2.968 119 HG2 LYS 17 HG2 LYS 17 -0.618 3.107 2.128 120 HG3 LYS 17 HG3 LYS 17 -0.402 2.397 0.523 121 HD2 LYS 17 HD2 LYS 17 -2.863 1.737 0.561 122 HD3 LYS 17 HD3 LYS 17 -3.019 2.574 2.118 123 HE2 LYS 17 HE2 LYS 17 -2.354 4.686 1.110 124 HE3 LYS 17 HE3 LYS 17 -1.997 3.877 -0.428 125 HZ1 LYS 17 HZ1 LYS 17 -4.438 3.247 -0.444 126 HZ2 LYS 17 HZ2 LYS 17 -4.123 4.852 -0.617 127 HZ3 LYS 17 HZ3 LYS 17 -4.643 4.252 0.810 128 H ARG 18 H ARG 18 2.731 2.165 2.131 129 HA ARG 18 HA ARG 18 2.222 3.649 4.660 130 HB2 ARG 18 HB2 ARG 18 4.980 2.869 3.728 131 HB3 ARG 18 HB3 ARG 18 4.515 3.582 5.251 132 HG2 ARG 18 HG2 ARG 18 3.123 1.226 5.427 133 HG3 ARG 18 HG3 ARG 18 4.426 0.715 4.374 134 HD2 ARG 18 HD2 ARG 18 6.073 1.560 6.094 135 HD3 ARG 18 HD3 ARG 18 4.702 1.965 7.145 136 HE ARG 18 HE ARG 18 5.290 -0.803 6.141 137 HH11 ARG 18 HH11 ARG 18 4.653 1.187 9.005 138 HH12 ARG 18 HH12 ARG 18 4.220 -0.180 9.984 139 HH21 ARG 18 HH21 ARG 18 4.805 -2.509 7.395 140 HH22 ARG 18 HH22 ARG 18 4.099 -2.344 8.979 141 H MET 19 H MET 19 4.144 5.508 4.590 142 HA MET 19 HA MET 19 4.039 6.837 1.980 143 HB2 MET 19 HB2 MET 19 2.196 7.632 3.499 144 HB3 MET 19 HB3 MET 19 3.415 8.063 4.708 145 HG2 MET 19 HG2 MET 19 4.398 9.671 3.156 146 HG3 MET 19 HG3 MET 19 3.228 9.208 1.899 147 HE1 MET 19 HE1 MET 19 0.759 11.930 2.293 148 HE2 MET 19 HE2 MET 19 2.457 12.170 1.874 149 HE3 MET 19 HE3 MET 19 1.584 10.727 1.289 150 H GLU 20 H GLU 20 5.887 8.087 1.607 151 HA GLU 20 HA GLU 20 8.316 7.322 3.065 152 HB2 GLU 20 HB2 GLU 20 7.560 8.550 0.473 153 HB3 GLU 20 HB3 GLU 20 8.866 9.432 1.228 154 HG2 GLU 20 HG2 GLU 20 8.909 6.467 0.934 155 HG3 GLU 20 HG3 GLU 20 9.571 7.576 -0.290 156 H ARG 21 H ARG 21 9.299 8.609 4.726 157 HA ARG 21 HA ARG 21 8.010 11.188 5.245 158 HB2 ARG 21 HB2 ARG 21 8.961 9.676 7.036 159 HB3 ARG 21 HB3 ARG 21 10.586 10.165 6.516 160 HG2 ARG 21 HG2 ARG 21 10.127 12.493 7.045 161 HG3 ARG 21 HG3 ARG 21 8.403 12.188 7.265 162 HD2 ARG 21 HD2 ARG 21 10.600 11.059 9.029 163 HD3 ARG 21 HD3 ARG 21 9.681 12.530 9.376 164 HE ARG 21 HE ARG 21 7.680 11.292 9.604 165 HH11 ARG 21 HH11 ARG 21 10.548 9.148 9.505 166 HH12 ARG 21 HH12 ARG 21 9.612 7.729 9.872 167 HH21 ARG 21 HH21 ARG 21 6.539 9.523 9.989 168 HH22 ARG 21 HH22 ARG 21 7.199 7.909 9.950 169 H SER 22 H SER 22 10.543 10.100 3.089 170 HA SER 22 HA SER 22 12.258 12.290 3.067 171 HB2 SER 22 HB2 SER 22 12.553 10.151 1.832 172 HB3 SER 22 HB3 SER 22 11.290 10.632 0.695 173 HG SER 22 HG SER 22 13.921 11.435 0.949 174 H SER 23 H SER 23 9.315 11.899 0.942 175 HA SER 23 HA SER 23 8.978 14.856 1.023 176 HB2 SER 23 HB2 SER 23 9.100 13.065 -1.404 177 HB3 SER 23 HB3 SER 23 8.264 14.596 -1.417 178 HG SER 23 HG SER 23 10.165 15.663 -0.979 179 H GLY 24 H GLY 24 7.488 11.804 1.659 180 HA2 GLY 24 HA2 GLY 24 5.335 11.618 2.483 181 HA3 GLY 24 HA3 GLY 24 4.935 13.216 1.856 182 H ARG 25 H ARG 25 6.138 10.079 0.393 183 HA ARG 25 HA ARG 25 3.963 10.424 -1.619 184 HB2 ARG 25 HB2 ARG 25 6.449 10.728 -2.310 185 HB3 ARG 25 HB3 ARG 25 6.589 8.984 -2.085 186 HG2 ARG 25 HG2 ARG 25 6.133 9.336 -4.388 187 HG3 ARG 25 HG3 ARG 25 4.618 8.727 -3.700 188 HD2 ARG 25 HD2 ARG 25 3.745 11.077 -3.619 189 HD3 ARG 25 HD3 ARG 25 5.281 11.653 -4.259 190 HE ARG 25 HE ARG 25 4.735 10.967 -6.341 191 HH11 ARG 25 HH11 ARG 25 2.031 10.113 -4.237 192 HH12 ARG 25 HH12 ARG 25 1.227 9.098 -5.362 193 HH21 ARG 25 HH21 ARG 25 3.680 9.557 -7.924 194 HH22 ARG 25 HH22 ARG 25 2.173 8.810 -7.505 195 H VAL 26 H VAL 26 2.505 8.796 -1.658 196 HA VAL 26 HA VAL 26 2.722 6.750 0.384 197 HB VAL 26 HB VAL 26 0.620 6.933 -1.797 198 HG11 VAL 26 HG11 VAL 26 0.543 4.855 -0.457 199 HG12 VAL 26 HG12 VAL 26 0.607 5.788 1.046 200 HG13 VAL 26 HG13 VAL 26 -0.815 5.904 -0.018 201 HG21 VAL 26 HG21 VAL 26 0.707 9.151 -0.738 202 HG22 VAL 26 HG22 VAL 26 -0.720 8.293 -0.198 203 HG23 VAL 26 HG23 VAL 26 0.692 8.403 0.879 204 H TYR 27 H TYR 27 2.857 4.397 0.006 205 HA TYR 27 HA TYR 27 3.354 3.402 -2.657 206 HB2 TYR 27 HB2 TYR 27 5.616 2.794 -2.433 207 HB3 TYR 27 HB3 TYR 27 5.536 4.501 -2.110 208 HD1 TYR 27 HD2 TYR 27 5.285 5.157 0.510 209 HD2 TYR 27 HD1 TYR 27 6.924 1.482 -1.026 210 HE1 TYR 27 HE2 TYR 27 6.570 4.905 2.548 211 HE2 TYR 27 HE1 TYR 27 8.124 1.119 1.079 212 HH TYR 27 HH TYR 27 8.969 2.391 3.014 213 H TYR 28 H TYR 28 4.391 1.012 -2.141 214 HA TYR 28 HA TYR 28 2.906 -0.141 0.181 215 HB2 TYR 28 HB2 TYR 28 3.274 -1.433 -2.540 216 HB3 TYR 28 HB3 TYR 28 2.401 -2.089 -1.167 217 HD1 TYR 28 HD1 TYR 28 0.517 -0.314 -0.221 218 HD2 TYR 28 HD2 TYR 28 1.979 -0.567 -4.246 219 HE1 TYR 28 HE1 TYR 28 -1.561 0.748 -1.004 220 HE2 TYR 28 HE2 TYR 28 -0.129 0.394 -5.073 221 HH TYR 28 HH TYR 28 -2.959 1.090 -3.168 222 H PHE 29 H PHE 29 4.093 -1.714 1.328 223 HA PHE 29 HA PHE 29 6.873 -2.297 0.393 224 HB2 PHE 29 HB2 PHE 29 6.870 -0.496 2.117 225 HB3 PHE 29 HB3 PHE 29 5.996 -1.559 3.209 226 HD1 PHE 29 HD2 PHE 29 7.148 -3.789 3.943 227 HD2 PHE 29 HD1 PHE 29 9.248 -0.679 1.801 228 HE1 PHE 29 HE2 PHE 29 9.336 -4.667 4.744 229 HE2 PHE 29 HE1 PHE 29 11.398 -1.654 2.530 230 HZ PHE 29 HZ PHE 29 11.435 -3.593 4.049 231 H ASN 30 H ASN 30 7.301 -4.386 0.450 232 HA ASN 30 HA ASN 30 5.366 -6.269 1.666 233 HB2 ASN 30 HB2 ASN 30 6.088 -6.485 -0.711 234 HB3 ASN 30 HB3 ASN 30 7.706 -6.878 -0.122 235 HD21 ASN 30 HD21 ASN 30 5.213 -8.477 -1.428 236 HD22 ASN 30 HD22 ASN 30 5.132 -9.878 -0.403 237 H HIS 31 H HIS 31 5.851 -6.768 3.795 238 HA HIS 31 HA HIS 31 8.577 -6.537 4.799 239 HB2 HIS 31 HB2 HIS 31 7.680 -6.927 6.923 240 HB3 HIS 31 HB3 HIS 31 6.530 -5.882 6.099 241 HD1 HIS 31 HD1 HIS 31 6.908 -9.480 7.428 242 HD2 HIS 31 HD2 HIS 31 4.019 -6.900 5.740 243 HE1 HIS 31 HE1 HIS 31 4.713 -10.683 7.564 244 H ILE 32 H ILE 32 6.941 -9.087 3.219 245 HA ILE 32 HA ILE 32 8.239 -11.298 4.629 246 HB ILE 32 HB ILE 32 6.744 -11.115 1.972 247 HG12 ILE 32 HG12 ILE 32 6.019 -12.264 4.674 248 HG13 ILE 32 HG13 ILE 32 5.394 -10.777 3.985 249 HG21 ILE 32 HG21 ILE 32 7.906 -13.606 3.183 250 HG22 ILE 32 HG22 ILE 32 6.740 -13.537 1.837 251 HG23 ILE 32 HG23 ILE 32 8.319 -12.838 1.621 252 HD11 ILE 32 HD11 ILE 32 3.685 -12.406 3.663 253 HD12 ILE 32 HD12 ILE 32 4.424 -12.155 2.070 254 HD13 ILE 32 HD13 ILE 32 4.819 -13.601 3.025 255 H THR 33 H THR 33 8.847 -9.378 1.637 256 HA THR 33 HA THR 33 11.512 -10.742 1.527 257 HB THR 33 HB THR 33 9.787 -11.567 -0.050 258 HG1 THR 33 HG1 THR 33 11.895 -11.901 -0.606 259 HG21 THR 33 HG21 THR 33 8.656 -9.445 -0.612 260 HG22 THR 33 HG22 THR 33 9.269 -10.268 -2.058 261 HG23 THR 33 HG23 THR 33 10.159 -8.889 -1.396 262 H ASN 34 H ASN 34 10.251 -7.915 2.408 263 HA ASN 34 HA ASN 34 11.089 -5.849 2.720 264 HB2 ASN 34 HB2 ASN 34 13.194 -7.248 3.203 265 HB3 ASN 34 HB3 ASN 34 13.743 -6.744 1.611 266 HD21 ASN 34 HD21 ASN 34 13.296 -5.849 4.927 267 HD22 ASN 34 HD22 ASN 34 14.032 -4.278 4.832 268 H ALA 35 H ALA 35 9.901 -6.762 0.181 269 HA ALA 35 HA ALA 35 11.155 -5.086 -1.899 270 HB1 ALA 35 HB1 ALA 35 8.761 -6.987 -1.925 271 HB2 ALA 35 HB2 ALA 35 9.195 -5.939 -3.285 272 HB3 ALA 35 HB3 ALA 35 10.327 -7.163 -2.715 273 H SER 36 H SER 36 9.476 -3.630 -3.065 274 HA SER 36 HA SER 36 7.357 -2.486 -1.657 275 HB2 SER 36 HB2 SER 36 8.391 -0.328 -1.239 276 HB3 SER 36 HB3 SER 36 9.262 -1.679 -0.528 277 HG SER 36 HG SER 36 10.917 -1.535 -1.862 278 H GLN 37 H GLN 37 6.133 -1.123 -3.076 279 HA GLN 37 HA GLN 37 7.256 -0.419 -5.571 280 HB2 GLN 37 HB2 GLN 37 5.144 -2.640 -5.382 281 HB3 GLN 37 HB3 GLN 37 5.174 -1.558 -6.775 282 HG2 GLN 37 HG2 GLN 37 7.674 -2.220 -7.010 283 HG3 GLN 37 HG3 GLN 37 7.253 -3.585 -5.962 284 HE21 GLN 37 HE21 GLN 37 8.033 -3.464 -8.913 285 HE22 GLN 37 HE22 GLN 37 6.768 -4.420 -9.661 286 H TRP 38 H TRP 38 5.471 0.744 -6.838 287 HA TRP 38 HA TRP 38 3.892 2.419 -4.982 288 HB2 TRP 38 HB2 TRP 38 4.587 2.848 -7.902 289 HB3 TRP 38 HB3 TRP 38 3.985 4.049 -6.754 290 HD1 TRP 38 HD1 TRP 38 7.099 2.120 -7.764 291 HE1 TRP 38 HE1 TRP 38 9.166 2.952 -6.536 292 HE3 TRP 38 HE3 TRP 38 4.822 5.508 -4.754 293 HZ2 TRP 38 HZ2 TRP 38 9.771 4.959 -4.491 294 HZ3 TRP 38 HZ3 TRP 38 6.161 6.967 -3.262 295 HH2 TRP 38 HH2 TRP 38 8.637 6.648 -3.078 296 H GLU 39 H GLU 39 3.588 0.257 -7.821 297 HA GLU 39 HA GLU 39 0.793 0.660 -8.279 298 HB2 GLU 39 HB2 GLU 39 2.804 -1.468 -9.176 299 HB3 GLU 39 HB3 GLU 39 1.191 -1.194 -9.850 300 HG2 GLU 39 HG2 GLU 39 2.512 0.024 -11.325 301 HG3 GLU 39 HG3 GLU 39 1.940 1.250 -10.183 302 H ARG 40 H ARG 40 -0.873 -0.845 -7.845 303 HA ARG 40 HA ARG 40 -0.861 -2.011 -5.314 304 HB2 ARG 40 HB2 ARG 40 -2.734 -2.180 -7.652 305 HB3 ARG 40 HB3 ARG 40 -3.000 -3.198 -6.233 306 HG2 ARG 40 HG2 ARG 40 -3.091 -1.292 -4.749 307 HG3 ARG 40 HG3 ARG 40 -2.594 -0.191 -6.034 308 HD2 ARG 40 HD2 ARG 40 -4.982 0.019 -5.649 309 HD3 ARG 40 HD3 ARG 40 -4.690 -0.635 -7.265 310 HE ARG 40 HE ARG 40 -5.667 -2.654 -6.651 311 HH11 ARG 40 HH11 ARG 40 -5.358 -0.641 -3.647 312 HH12 ARG 40 HH12 ARG 40 -6.287 -1.834 -2.766 313 HH21 ARG 40 HH21 ARG 40 -6.762 -4.102 -5.351 314 HH22 ARG 40 HH22 ARG 40 -7.070 -3.722 -3.670 315 HA PRO 41 HA PRO 41 1.207 -5.890 -6.393 316 HB2 PRO 41 HB2 PRO 41 1.647 -6.794 -3.879 317 HB3 PRO 41 HB3 PRO 41 2.541 -5.393 -4.542 318 HG2 PRO 41 HG2 PRO 41 0.068 -5.390 -2.783 319 HG3 PRO 41 HG3 PRO 41 1.578 -4.476 -2.503 320 HD2 PRO 41 HD2 PRO 41 -0.578 -3.362 -3.720 321 HD3 PRO 41 HD3 PRO 41 1.087 -2.963 -4.225 322 H SER 42 H SER 42 0.854 -8.266 -5.565 323 HA SER 42 HA SER 42 -1.779 -8.894 -4.573 324 HB2 SER 42 HB2 SER 42 -0.960 -9.628 -7.408 325 HB3 SER 42 HB3 SER 42 -2.316 -10.366 -6.522 326 HG SER 42 HG SER 42 -2.932 -8.041 -6.132 327 H GLY 43 H GLY 43 -0.938 -9.900 -2.896 328 HA2 GLY 43 HA2 GLY 43 0.083 -11.488 -1.588 329 HA3 GLY 43 HA3 GLY 43 -0.155 -12.582 -2.953
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