NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16986 | 2b3a | 6894 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 11 HT1 ASP 11 16.294 6.028 8.684 2 2H ASP 11 HT2 ASP 11 15.898 6.007 10.332 3 3H ASP 11 HT3 ASP 11 16.428 7.431 9.619 4 HA ASP 11 HA ASP 11 14.102 7.425 10.009 5 1HB ASP 11 HB2 ASP 11 13.347 8.079 7.736 6 2HB ASP 11 HB1 ASP 11 14.954 8.701 8.080 7 H CYS 12 HN CYS 12 12.067 6.170 9.953 8 HA CYS 12 HA CYS 12 11.738 4.112 8.063 9 1HB CYS 12 HB2 CYS 12 11.409 2.328 9.923 10 2HB CYS 12 HB1 CYS 12 13.077 2.811 9.606 11 HG CYS 12 HG CYS 12 11.098 3.730 12.220 12 H CYS 13 HN CYS 13 9.542 3.235 8.299 13 HA CYS 13 HA CYS 13 7.848 4.519 10.251 14 1HB CYS 13 HB2 CYS 13 7.771 5.941 8.198 15 2HB CYS 13 HB1 CYS 13 7.250 4.538 7.274 16 HG CYS 13 HG CYS 13 5.098 4.670 9.630 17 H ILE 14 HN ILE 14 6.014 3.294 10.653 18 HA ILE 14 HA ILE 14 6.166 0.508 9.761 19 HB ILE 14 HB ILE 14 4.975 1.838 12.171 20 1HG1 ILE 14 HG12 ILE 14 7.291 1.805 12.380 21 2HG1 ILE 14 HG11 ILE 14 6.669 0.632 13.491 22 1HG2 ILE 14 HG21 ILE 14 4.484 -0.621 12.992 23 2HG2 ILE 14 HG22 ILE 14 5.244 -1.165 11.534 24 3HG2 ILE 14 HG23 ILE 14 3.700 -0.345 11.426 25 1HD1 ILE 14 HD11 ILE 14 7.965 -0.148 10.739 26 2HD1 ILE 14 HD12 ILE 14 7.270 -1.299 11.796 27 3HD1 ILE 14 HD13 ILE 14 8.734 -0.486 12.273 28 H ILE 15 HN ILE 15 4.559 -0.081 8.407 29 HA ILE 15 HA ILE 15 2.006 1.404 8.487 30 HB ILE 15 HB ILE 15 1.865 1.332 6.130 31 1HG1 ILE 15 HG12 ILE 15 4.507 -0.218 6.162 32 2HG1 ILE 15 HG11 ILE 15 2.985 -0.853 5.893 33 1HG2 ILE 15 HG21 ILE 15 4.731 2.595 6.852 34 2HG2 ILE 15 HG22 ILE 15 3.298 3.379 7.155 35 3HG2 ILE 15 HG23 ILE 15 3.770 3.233 5.548 36 1HD1 ILE 15 HD11 ILE 15 4.437 0.898 3.662 37 2HD1 ILE 15 HD12 ILE 15 2.800 0.409 3.531 38 3HD1 ILE 15 HD13 ILE 15 4.031 -0.766 3.552 39 H ARG 16 HN ARG 16 0.227 0.198 7.642 40 HA ARG 16 HA ARG 16 0.549 -2.681 8.163 41 1HB ARG 16 HB2 ARG 16 -0.794 -1.279 9.681 42 2HB ARG 16 HB1 ARG 16 -1.913 -0.943 8.381 43 1HG ARG 16 HG2 ARG 16 -2.165 -3.475 8.140 44 2HG ARG 16 HG1 ARG 16 -1.427 -3.603 9.726 45 1HD ARG 16 HD2 ARG 16 -3.988 -2.148 8.995 46 2HD ARG 16 HD1 ARG 16 -3.867 -3.647 9.879 47 HE ARG 16 HE ARG 16 -2.620 -2.101 11.615 48 1HH1 ARG 16 HH11 ARG 16 -5.510 -1.319 9.707 49 2HH1 ARG 16 HH12 ARG 16 -6.093 -0.213 10.863 50 1HH2 ARG 16 HH21 ARG 16 -3.407 -0.607 13.138 51 2HH2 ARG 16 HH22 ARG 16 -4.893 0.171 12.881 52 H VAL 17 HN VAL 17 -0.479 -4.121 6.687 53 HA VAL 17 HA VAL 17 -1.689 -2.870 4.336 54 HB VAL 17 HB VAL 17 0.079 -5.311 4.318 55 1HG1 VAL 17 HG11 VAL 17 0.014 -5.199 1.709 56 2HG1 VAL 17 HG12 VAL 17 -0.885 -3.756 1.760 57 3HG1 VAL 17 HG13 VAL 17 -1.641 -5.247 2.289 58 1HG2 VAL 17 HG21 VAL 17 1.948 -4.056 3.162 59 2HG2 VAL 17 HG22 VAL 17 1.548 -3.101 4.572 60 3HG2 VAL 17 HG23 VAL 17 0.958 -2.676 2.986 61 H SER 18 HN SER 18 -3.503 -3.846 3.666 62 HA SER 18 HA SER 18 -4.260 -6.488 4.646 63 1HB SER 18 HB2 SER 18 -6.536 -5.312 5.334 64 2HB SER 18 HB1 SER 18 -5.219 -4.716 6.292 65 HG SER 18 HG SER 18 -5.243 -2.884 5.329 66 H LEU 19 HN LEU 19 -6.218 -7.372 3.242 67 HA LEU 19 HA LEU 19 -5.629 -6.545 0.467 68 1HB LEU 19 HB2 LEU 19 -6.623 -9.225 1.476 69 2HB LEU 19 HB1 LEU 19 -6.343 -8.661 -0.177 70 HG LEU 19 HG LEU 19 -4.076 -8.582 1.697 71 1HD1 LEU 19 HD11 LEU 19 -5.062 -11.382 0.462 72 2HD1 LEU 19 HD12 LEU 19 -5.104 -10.962 2.099 73 3HD1 LEU 19 HD13 LEU 19 -3.582 -11.191 1.371 74 1HD2 LEU 19 HD21 LEU 19 -2.801 -9.013 -0.634 75 2HD2 LEU 19 HD22 LEU 19 -3.900 -7.679 -0.684 76 3HD2 LEU 19 HD23 LEU 19 -4.381 -9.137 -1.379 77 H ASP 20 HN ASP 20 -7.321 -6.336 -0.999 78 HA ASP 20 HA ASP 20 -10.074 -6.065 -0.052 79 1HB ASP 20 HB2 ASP 20 -9.041 -4.820 -2.147 80 2HB ASP 20 HB1 ASP 20 -9.163 -6.385 -2.910 81 H VAL 21 HN VAL 21 -8.095 -8.151 -1.870 82 HA VAL 21 HA VAL 21 -9.741 -9.899 -3.033 83 HB VAL 21 HB VAL 21 -6.929 -10.050 -2.097 84 1HG1 VAL 21 HG11 VAL 21 -7.645 -12.608 -2.358 85 2HG1 VAL 21 HG12 VAL 21 -6.442 -12.156 -3.521 86 3HG1 VAL 21 HG13 VAL 21 -8.063 -12.285 -4.033 87 1HG2 VAL 21 HG21 VAL 21 -7.370 -8.524 -3.848 88 2HG2 VAL 21 HG22 VAL 21 -8.147 -9.764 -4.832 89 3HG2 VAL 21 HG23 VAL 21 -6.414 -9.843 -4.520 90 H ASP 22 HN ASP 22 -8.808 -9.983 0.327 91 HA ASP 22 HA ASP 22 -10.281 -12.451 0.635 92 1HB ASP 22 HB2 ASP 22 -8.175 -13.403 0.609 93 2HB ASP 22 HB1 ASP 22 -7.373 -12.208 1.574 94 H ASN 23 HN ASN 23 -8.679 -9.880 2.704 95 HA ASN 23 HA ASN 23 -11.048 -9.217 3.948 96 1HB ASN 23 HB2 ASN 23 -10.749 -11.523 4.960 97 2HB ASN 23 HB1 ASN 23 -9.197 -10.990 5.591 98 1HD2 ASN 23 HD21 ASN 23 -12.661 -10.721 5.877 99 2HD2 ASN 23 HD22 ASN 23 -12.666 -9.960 7.414 100 H GLY 24 HN GLY 24 -10.529 -7.535 5.604 101 1HA GLY 24 HA2 GLY 24 -7.903 -6.494 4.986 102 2HA GLY 24 HA1 GLY 24 -9.305 -5.507 5.356 103 H ASN 25 HN ASN 25 -9.042 -4.535 7.119 104 HA ASN 25 HA ASN 25 -8.623 -3.811 9.126 105 1HB ASN 25 HB2 ASN 25 -9.001 -5.136 11.135 106 2HB ASN 25 HB1 ASN 25 -10.322 -5.284 10.015 107 1HD2 ASN 25 HD21 ASN 25 -10.625 -7.487 9.024 108 2HD2 ASN 25 HD22 ASN 25 -9.851 -8.830 9.732 109 H MET 26 HN MET 26 -6.606 -6.647 8.669 110 HA MET 26 HA MET 26 -4.319 -5.356 8.932 111 1HB MET 26 HB2 MET 26 -4.912 -5.201 11.433 112 2HB MET 26 HB1 MET 26 -4.962 -6.946 11.380 113 1HG MET 26 HG2 MET 26 -2.559 -7.059 10.862 114 2HG MET 26 HG1 MET 26 -2.538 -5.312 10.746 115 1HE MET 26 HE1 MET 26 -4.371 -4.483 13.309 116 2HE MET 26 HE2 MET 26 -2.896 -3.686 12.779 117 3HE MET 26 HE3 MET 26 -3.066 -4.189 14.462 118 H TYR 27 HN TYR 27 -2.896 -6.642 7.902 119 HA TYR 27 HA TYR 27 -3.388 -9.524 8.062 120 1HB TYR 27 HB2 TYR 27 -3.824 -7.986 5.831 121 2HB TYR 27 HB1 TYR 27 -2.189 -8.563 5.547 122 HD1 TYR 27 HD1 TYR 27 -1.835 -11.091 5.165 123 HD2 TYR 27 HD2 TYR 27 -5.743 -9.417 5.798 124 HE1 TYR 27 HE1 TYR 27 -2.866 -13.144 4.375 125 HE2 TYR 27 HE2 TYR 27 -6.741 -11.489 5.009 126 HH TYR 27 HH TYR 27 -6.310 -13.375 3.827 127 H LYS 28 HN LYS 28 -0.923 -7.210 6.804 128 HA LYS 28 HA LYS 28 0.904 -8.181 8.787 129 1HB LYS 28 HB2 LYS 28 2.713 -8.733 7.282 130 2HB LYS 28 HB1 LYS 28 1.303 -9.725 6.957 131 1HG LYS 28 HG2 LYS 28 0.798 -8.300 4.985 132 2HG LYS 28 HG1 LYS 28 2.224 -7.354 5.325 133 1HD LYS 28 HD2 LYS 28 2.717 -9.072 3.602 134 2HD LYS 28 HD1 LYS 28 3.710 -9.273 5.043 135 1HE LYS 28 HE2 LYS 28 1.996 -11.049 5.781 136 2HE LYS 28 HE1 LYS 28 1.327 -10.933 4.163 137 1HZ LYS 28 HZ1 LYS 28 2.844 -12.743 4.287 138 2HZ LYS 28 HZ2 LYS 28 4.126 -11.772 4.763 139 3HZ LYS 28 HZ3 LYS 28 3.454 -11.604 3.237 140 H SER 29 HN SER 29 2.891 -6.893 8.866 141 HA SER 29 HA SER 29 2.316 -4.152 8.041 142 1HB SER 29 HB2 SER 29 3.921 -5.125 10.407 143 2HB SER 29 HB1 SER 29 3.499 -3.460 9.992 144 HG SER 29 HG SER 29 1.876 -5.543 10.905 145 H ILE 30 HN ILE 30 3.998 -2.908 7.181 146 HA ILE 30 HA ILE 30 6.551 -4.305 6.542 147 HB ILE 30 HB ILE 30 5.311 -2.226 4.742 148 1HG1 ILE 30 HG12 ILE 30 3.540 -3.678 4.641 149 2HG1 ILE 30 HG11 ILE 30 4.357 -3.796 3.141 150 1HG2 ILE 30 HG21 ILE 30 7.701 -2.924 3.963 151 2HG2 ILE 30 HG22 ILE 30 6.472 -3.452 2.826 152 3HG2 ILE 30 HG23 ILE 30 7.108 -4.596 3.906 153 1HD1 ILE 30 HD11 ILE 30 5.433 -5.979 3.780 154 2HD1 ILE 30 HD12 ILE 30 3.740 -6.023 3.525 155 3HD1 ILE 30 HD13 ILE 30 4.327 -6.120 5.165 156 H LEU 31 HN LEU 31 8.383 -3.137 6.948 157 HA LEU 31 HA LEU 31 7.967 -0.502 8.017 158 1HB LEU 31 HB2 LEU 31 9.142 -2.084 9.359 159 2HB LEU 31 HB1 LEU 31 10.290 -2.491 8.116 160 HG LEU 31 HG LEU 31 10.124 0.268 9.350 161 1HD1 LEU 31 HD11 LEU 31 12.107 -2.050 10.101 162 2HD1 LEU 31 HD12 LEU 31 10.994 -1.379 11.272 163 3HD1 LEU 31 HD13 LEU 31 12.320 -0.438 10.668 164 1HD2 LEU 31 HD21 LEU 31 12.379 0.590 8.408 165 2HD2 LEU 31 HD22 LEU 31 11.190 0.072 7.181 166 3HD2 LEU 31 HD23 LEU 31 12.347 -1.078 7.812 167 H VAL 32 HN VAL 32 8.482 1.213 6.849 168 HA VAL 32 HA VAL 32 9.813 0.749 4.283 169 HB VAL 32 HB VAL 32 7.491 1.124 3.968 170 1HG1 VAL 32 HG11 VAL 32 6.937 2.460 6.117 171 2HG1 VAL 32 HG12 VAL 32 6.381 3.443 4.758 172 3HG1 VAL 32 HG13 VAL 32 7.916 3.760 5.491 173 1HG2 VAL 32 HG21 VAL 32 7.380 3.273 2.483 174 2HG2 VAL 32 HG22 VAL 32 8.790 2.380 2.055 175 3HG2 VAL 32 HG23 VAL 32 8.888 3.772 3.128 176 H THR 33 HN THR 33 11.519 2.224 3.720 177 HA THR 33 HA THR 33 12.111 4.364 5.644 178 HB THR 33 HB THR 33 14.330 4.393 4.388 179 HG1 THR 33 HG1 THR 33 14.420 2.042 3.261 180 1HG2 THR 33 HG21 THR 33 13.767 1.611 5.748 181 2HG2 THR 33 HG22 THR 33 14.543 2.933 6.582 182 3HG2 THR 33 HG23 THR 33 15.331 2.130 5.282 183 H SER 34 HN SER 34 13.044 6.374 4.514 184 HA SER 34 HA SER 34 11.035 7.351 2.835 185 1HB SER 34 HB2 SER 34 13.735 8.807 3.171 186 2HB SER 34 HB1 SER 34 12.209 9.513 3.029 187 HG SER 34 HG SER 34 13.062 8.001 5.234 188 H GLN 35 HN GLN 35 13.869 5.645 2.122 189 HA GLN 35 HA GLN 35 14.417 6.875 -0.426 190 1HB GLN 35 HB2 GLN 35 16.223 5.919 1.048 191 2HB GLN 35 HB1 GLN 35 15.574 4.328 0.718 192 1HG GLN 35 HG2 GLN 35 16.191 5.866 -1.665 193 2HG GLN 35 HG1 GLN 35 17.596 5.524 -0.668 194 1HE2 GLN 35 HE21 GLN 35 14.856 3.297 -0.931 195 2HE2 GLN 35 HE22 GLN 35 15.692 2.130 -1.869 196 H ASP 36 HN ASP 36 12.558 4.197 0.732 197 HA ASP 36 HA ASP 36 12.459 3.032 -1.943 198 1HB ASP 36 HB2 ASP 36 12.529 1.664 0.312 199 2HB ASP 36 HB1 ASP 36 10.804 1.964 0.368 200 H LYS 37 HN LYS 37 10.954 3.525 -3.333 201 HA LYS 37 HA LYS 37 9.194 5.678 -2.559 202 1HB LYS 37 HB2 LYS 37 10.108 4.582 -5.157 203 2HB LYS 37 HB1 LYS 37 8.791 5.709 -5.169 204 1HG LYS 37 HG2 LYS 37 10.301 7.326 -3.938 205 2HG LYS 37 HG1 LYS 37 11.631 6.204 -4.135 206 1HD LYS 37 HD2 LYS 37 11.300 6.340 -6.561 207 2HD LYS 37 HD1 LYS 37 10.046 7.552 -6.292 208 1HE LYS 37 HE2 LYS 37 12.965 7.734 -5.586 209 2HE LYS 37 HE1 LYS 37 12.075 8.699 -6.759 210 1HZ LYS 37 HZ1 LYS 37 12.451 9.947 -4.768 211 2HZ LYS 37 HZ2 LYS 37 11.776 8.788 -3.801 212 3HZ LYS 37 HZ3 LYS 37 10.792 9.662 -4.878 213 H ALA 38 HN ALA 38 7.028 5.874 -3.545 214 HA ALA 38 HA ALA 38 5.547 3.776 -2.418 215 1HB ALA 38 HB1 ALA 38 4.178 6.043 -4.056 216 2HB ALA 38 HB2 ALA 38 4.425 6.126 -2.341 217 3HB ALA 38 HB3 ALA 38 3.365 4.938 -3.017 218 HA PRO 39 HA PRO 39 4.235 2.217 -6.769 219 1HB PRO 39 HB2 PRO 39 6.306 2.205 -8.586 220 2HB PRO 39 HB1 PRO 39 5.035 3.433 -8.585 221 1HG PRO 39 HG2 PRO 39 7.768 3.547 -7.347 222 2HG PRO 39 HG1 PRO 39 6.953 4.760 -8.357 223 1HD PRO 39 HD2 PRO 39 6.975 5.090 -5.736 224 2HD PRO 39 HD1 PRO 39 5.501 5.358 -6.712 225 H ALA 40 HN ALA 40 7.531 2.188 -5.544 226 HA ALA 40 HA ALA 40 7.849 -0.636 -6.137 227 1HB ALA 40 HB1 ALA 40 10.054 -0.551 -4.868 228 2HB ALA 40 HB2 ALA 40 9.629 0.951 -4.159 229 3HB ALA 40 HB3 ALA 40 9.989 0.891 -5.863 230 H VAL 41 HN VAL 41 6.864 1.236 -3.388 231 HA VAL 41 HA VAL 41 6.582 -1.028 -1.621 232 HB VAL 41 HB VAL 41 5.082 1.585 -1.524 233 1HG1 VAL 41 HG11 VAL 41 4.406 0.925 1.021 234 2HG1 VAL 41 HG12 VAL 41 5.258 -0.566 0.794 235 3HG1 VAL 41 HG13 VAL 41 3.889 -0.244 -0.149 236 1HG2 VAL 41 HG21 VAL 41 6.890 2.368 0.391 237 2HG2 VAL 41 HG22 VAL 41 7.602 2.184 -1.124 238 3HG2 VAL 41 HG23 VAL 41 7.797 0.954 0.034 239 H ILE 42 HN ILE 42 4.624 0.462 -3.895 240 HA ILE 42 HA ILE 42 2.087 -0.792 -3.547 241 HB ILE 42 HB ILE 42 3.558 -0.151 -6.093 242 1HG1 ILE 42 HG12 ILE 42 1.468 1.498 -4.643 243 2HG1 ILE 42 HG11 ILE 42 2.953 2.053 -5.238 244 1HG2 ILE 42 HG21 ILE 42 1.260 -0.373 -7.348 245 2HG2 ILE 42 HG22 ILE 42 0.576 -0.819 -5.836 246 3HG2 ILE 42 HG23 ILE 42 1.722 -1.917 -6.605 247 1HD1 ILE 42 HD11 ILE 42 2.311 1.922 -7.583 248 2HD1 ILE 42 HD12 ILE 42 1.310 3.059 -6.744 249 3HD1 ILE 42 HD13 ILE 42 0.679 1.469 -7.172 250 H ARG 43 HN ARG 43 4.817 -1.690 -5.470 251 HA ARG 43 HA ARG 43 4.055 -4.283 -6.082 252 1HB ARG 43 HB2 ARG 43 6.451 -2.680 -6.365 253 2HB ARG 43 HB1 ARG 43 6.783 -4.352 -6.301 254 1HG ARG 43 HG2 ARG 43 5.530 -4.961 -8.192 255 2HG ARG 43 HG1 ARG 43 4.494 -3.574 -8.038 256 1HD ARG 43 HD2 ARG 43 6.127 -3.558 -10.038 257 2HD ARG 43 HD1 ARG 43 5.945 -2.125 -9.097 258 HE ARG 43 HE ARG 43 8.125 -4.033 -8.538 259 1HH1 ARG 43 HH11 ARG 43 7.129 -0.821 -9.666 260 2HH1 ARG 43 HH12 ARG 43 8.673 -0.125 -9.517 261 1HH2 ARG 43 HH21 ARG 43 10.248 -3.105 -8.370 262 2HH2 ARG 43 HH22 ARG 43 10.522 -1.476 -8.778 263 H LYS 44 HN LYS 44 6.256 -3.084 -3.575 264 HA LYS 44 HA LYS 44 7.215 -5.494 -2.487 265 1HB LYS 44 HB2 LYS 44 6.605 -3.031 -0.867 266 2HB LYS 44 HB1 LYS 44 7.685 -4.327 -0.424 267 1HG LYS 44 HG2 LYS 44 8.097 -2.391 -2.677 268 2HG LYS 44 HG1 LYS 44 8.926 -2.380 -1.125 269 1HD LYS 44 HD2 LYS 44 9.849 -4.490 -1.570 270 2HD LYS 44 HD1 LYS 44 9.052 -4.626 -3.132 271 1HE LYS 44 HE2 LYS 44 11.317 -3.617 -3.789 272 2HE LYS 44 HE1 LYS 44 10.138 -2.357 -3.744 273 1HZ LYS 44 HZ1 LYS 44 12.211 -1.809 -2.607 274 2HZ LYS 44 HZ2 LYS 44 11.828 -2.858 -1.368 275 3HZ LYS 44 HZ3 LYS 44 10.846 -1.523 -1.704 276 H ALA 45 HN ALA 45 4.384 -3.676 -1.672 277 HA ALA 45 HA ALA 45 3.849 -5.477 0.523 278 1HB ALA 45 HB1 ALA 45 3.070 -3.007 0.737 279 2HB ALA 45 HB2 ALA 45 1.748 -4.112 1.013 280 3HB ALA 45 HB3 ALA 45 1.881 -3.302 -0.512 281 H MET 46 HN MET 46 2.470 -5.096 -2.704 282 HA MET 46 HA MET 46 0.842 -7.345 -2.234 283 1HB MET 46 HB2 MET 46 0.245 -7.438 -4.554 284 2HB MET 46 HB1 MET 46 0.240 -5.792 -3.972 285 1HG MET 46 HG2 MET 46 2.348 -5.304 -5.269 286 2HG MET 46 HG1 MET 46 2.443 -6.997 -5.738 287 1HE MET 46 HE1 MET 46 0.715 -8.103 -7.422 288 2HE MET 46 HE2 MET 46 -0.618 -7.229 -8.179 289 3HE MET 46 HE3 MET 46 -0.667 -7.584 -6.455 290 H ASP 47 HN ASP 47 4.080 -7.016 -3.396 291 HA ASP 47 HA ASP 47 4.896 -9.578 -4.132 292 1HB ASP 47 HB2 ASP 47 6.326 -7.340 -3.830 293 2HB ASP 47 HB1 ASP 47 6.261 -7.834 -2.199 294 H LYS 48 HN LYS 48 4.773 -8.033 -1.054 295 HA LYS 48 HA LYS 48 5.552 -10.222 0.495 296 1HB LYS 48 HB2 LYS 48 4.968 -7.522 0.922 297 2HB LYS 48 HB1 LYS 48 4.036 -8.445 2.076 298 1HG LYS 48 HG2 LYS 48 6.337 -7.672 2.852 299 2HG LYS 48 HG1 LYS 48 5.967 -9.349 3.173 300 1HD LYS 48 HD2 LYS 48 8.227 -9.166 2.345 301 2HD LYS 48 HD1 LYS 48 7.298 -9.949 1.113 302 1HE LYS 48 HE2 LYS 48 7.042 -7.828 -0.121 303 2HE LYS 48 HE1 LYS 48 8.031 -6.972 1.048 304 1HZ LYS 48 HZ1 LYS 48 9.784 -8.749 0.412 305 2HZ LYS 48 HZ2 LYS 48 9.451 -7.503 -0.640 306 3HZ LYS 48 HZ3 LYS 48 8.772 -9.027 -0.936 307 H HIS 49 HN HIS 49 2.597 -9.354 -0.735 308 HA HIS 49 HA HIS 49 1.230 -11.335 0.924 309 1HB HIS 49 HB2 HIS 49 0.107 -9.287 -0.997 310 2HB HIS 49 HB1 HIS 49 -0.859 -10.622 -0.383 311 HD2 HIS 49 HD2 HIS 49 1.333 -7.852 1.442 312 HE1 HIS 49 HE1 HIS 49 -2.278 -8.499 3.549 313 HE2 HIS 49 HE2 HIS 49 -0.338 -6.968 3.197 314 H ASN 50 HN ASN 50 3.273 -11.755 -1.283 315 HA ASN 50 HA ASN 50 3.911 -13.302 -2.480 316 1HB ASN 50 HB2 ASN 50 1.333 -14.712 -1.840 317 2HB ASN 50 HB1 ASN 50 2.716 -15.274 -2.806 318 1HD2 ASN 50 HD21 ASN 50 1.553 -16.073 -0.086 319 2HD2 ASN 50 HD22 ASN 50 2.951 -16.126 0.927 320 H LEU 51 HN LEU 51 1.855 -11.201 -3.487 321 HA LEU 51 HA LEU 51 1.146 -12.455 -6.073 322 1HB LEU 51 HB2 LEU 51 0.660 -9.604 -5.340 323 2HB LEU 51 HB1 LEU 51 -0.247 -10.629 -6.402 324 HG LEU 51 HG LEU 51 -0.207 -11.011 -3.441 325 1HD1 LEU 51 HD11 LEU 51 -2.627 -9.964 -3.568 326 2HD1 LEU 51 HD12 LEU 51 -2.343 -9.716 -5.267 327 3HD1 LEU 51 HD13 LEU 51 -1.420 -8.798 -4.112 328 1HD2 LEU 51 HD21 LEU 51 -2.214 -12.407 -3.867 329 2HD2 LEU 51 HD22 LEU 51 -0.746 -13.008 -4.645 330 3HD2 LEU 51 HD23 LEU 51 -1.968 -12.156 -5.597 331 H GLU 52 HN GLU 52 3.690 -12.405 -5.694 332 HA GLU 52 HA GLU 52 5.247 -10.200 -6.528 333 1HB GLU 52 HB2 GLU 52 5.763 -13.132 -6.866 334 2HB GLU 52 HB1 GLU 52 6.960 -11.855 -6.960 335 1HG GLU 52 HG2 GLU 52 6.605 -11.355 -4.604 336 2HG GLU 52 HG1 GLU 52 5.375 -12.622 -4.526 337 H GLU 53 HN GLU 53 3.313 -12.479 -8.215 338 HA GLU 53 HA GLU 53 4.766 -12.088 -10.708 339 1HB GLU 53 HB2 GLU 53 3.301 -13.891 -11.625 340 2HB GLU 53 HB1 GLU 53 4.311 -14.375 -10.274 341 1HG GLU 53 HG2 GLU 53 1.450 -13.566 -9.905 342 2HG GLU 53 HG1 GLU 53 1.905 -15.251 -10.279 343 H GLU 54 HN GLU 54 2.128 -10.749 -9.194 344 HA GLU 54 HA GLU 54 0.829 -10.124 -11.708 345 1HB GLU 54 HB2 GLU 54 -0.046 -9.475 -8.915 346 2HB GLU 54 HB1 GLU 54 -0.960 -9.390 -10.427 347 1HG GLU 54 HG2 GLU 54 -0.622 -11.830 -10.694 348 2HG GLU 54 HG1 GLU 54 0.137 -11.844 -9.132 349 H GLU 55 HN GLU 55 0.425 -7.970 -12.333 350 HA GLU 55 HA GLU 55 2.497 -6.212 -11.379 351 1HB GLU 55 HB2 GLU 55 0.860 -6.336 -13.839 352 2HB GLU 55 HB1 GLU 55 1.748 -4.862 -13.450 353 1HG GLU 55 HG2 GLU 55 3.079 -6.082 -14.983 354 2HG GLU 55 HG1 GLU 55 3.813 -6.317 -13.399 355 HA PRO 56 HA PRO 56 -0.266 -3.275 -9.385 356 1HB PRO 56 HB2 PRO 56 1.662 -1.332 -10.616 357 2HB PRO 56 HB1 PRO 56 1.121 -1.459 -8.928 358 1HG PRO 56 HG2 PRO 56 3.509 -2.246 -9.632 359 2HG PRO 56 HG1 PRO 56 2.561 -3.256 -8.535 360 1HD PRO 56 HD2 PRO 56 3.040 -3.615 -11.479 361 2HD PRO 56 HD1 PRO 56 3.049 -4.810 -10.158 362 H GLU 57 HN GLU 57 0.419 -3.352 -12.675 363 HA GLU 57 HA GLU 57 -1.175 -1.277 -13.670 364 1HB GLU 57 HB2 GLU 57 -0.670 -4.007 -14.869 365 2HB GLU 57 HB1 GLU 57 -1.258 -2.592 -15.737 366 1HG GLU 57 HG2 GLU 57 0.848 -1.435 -15.269 367 2HG GLU 57 HG1 GLU 57 1.430 -2.848 -14.400 368 H ASP 58 HN ASP 58 -1.953 -4.380 -12.302 369 HA ASP 58 HA ASP 58 -4.785 -4.197 -13.052 370 1HB ASP 58 HB2 ASP 58 -3.384 -6.356 -13.225 371 2HB ASP 58 HB1 ASP 58 -3.365 -6.349 -11.497 372 H TYR 59 HN TYR 59 -2.748 -4.773 -10.174 373 HA TYR 59 HA TYR 59 -4.945 -3.910 -8.413 374 1HB TYR 59 HB2 TYR 59 -2.354 -5.210 -7.681 375 2HB TYR 59 HB1 TYR 59 -3.722 -4.931 -6.621 376 HD1 TYR 59 HD1 TYR 59 -5.101 -6.748 -6.106 377 HD2 TYR 59 HD2 TYR 59 -2.968 -6.762 -9.770 378 HE1 TYR 59 HE1 TYR 59 -5.870 -9.055 -6.531 379 HE2 TYR 59 HE2 TYR 59 -3.840 -9.067 -10.233 380 HH TYR 59 HH TYR 59 -4.524 -10.928 -8.949 381 H GLU 60 HN GLU 60 -4.406 -2.530 -6.699 382 HA GLU 60 HA GLU 60 -2.014 -0.895 -6.895 383 1HB GLU 60 HB2 GLU 60 -3.592 1.291 -7.186 384 2HB GLU 60 HB1 GLU 60 -3.337 0.239 -8.562 385 1HG GLU 60 HG2 GLU 60 -5.351 -0.660 -8.242 386 2HG GLU 60 HG1 GLU 60 -5.617 0.163 -6.690 387 H LEU 61 HN LEU 61 -1.971 0.776 -4.973 388 HA LEU 61 HA LEU 61 -3.406 -0.451 -2.787 389 1HB LEU 61 HB2 LEU 61 -1.517 -1.078 -1.980 390 2HB LEU 61 HB1 LEU 61 -0.694 -0.327 -3.290 391 HG LEU 61 HG LEU 61 -1.200 1.157 -0.706 392 1HD1 LEU 61 HD11 LEU 61 1.432 0.360 -0.075 393 2HD1 LEU 61 HD12 LEU 61 1.310 -0.707 -1.416 394 3HD1 LEU 61 HD13 LEU 61 0.322 -0.953 -0.083 395 1HD2 LEU 61 HD21 LEU 61 1.062 1.839 -2.799 396 2HD2 LEU 61 HD22 LEU 61 0.453 2.803 -1.478 397 3HD2 LEU 61 HD23 LEU 61 -0.552 2.457 -2.782 398 H LEU 62 HN LEU 62 -4.184 0.635 -0.952 399 HA LEU 62 HA LEU 62 -4.980 3.452 -1.518 400 1HB LEU 62 HB2 LEU 62 -6.553 1.373 -1.892 401 2HB LEU 62 HB1 LEU 62 -6.719 1.383 -0.162 402 HG LEU 62 HG LEU 62 -7.666 3.385 -2.175 403 1HD1 LEU 62 HD11 LEU 62 -9.919 2.781 -1.341 404 2HD1 LEU 62 HD12 LEU 62 -9.204 1.555 -0.319 405 3HD1 LEU 62 HD13 LEU 62 -9.121 1.396 -2.064 406 1HD2 LEU 62 HD21 LEU 62 -7.252 4.817 -0.011 407 2HD2 LEU 62 HD22 LEU 62 -7.988 3.529 0.866 408 3HD2 LEU 62 HD23 LEU 62 -8.972 4.486 -0.159 409 H GLN 63 HN GLN 63 -4.753 4.771 0.547 410 HA GLN 63 HA GLN 63 -4.248 3.395 3.021 411 1HB GLN 63 HB2 GLN 63 -4.047 6.131 2.082 412 2HB GLN 63 HB1 GLN 63 -4.514 5.924 3.792 413 1HG GLN 63 HG2 GLN 63 -2.547 4.245 3.760 414 2HG GLN 63 HG1 GLN 63 -2.056 5.156 2.375 415 1HE2 GLN 63 HE21 GLN 63 -2.884 7.854 3.422 416 2HE2 GLN 63 HE22 GLN 63 -1.618 8.208 4.499 417 H ILE 64 HN ILE 64 -5.509 3.239 4.549 418 HA ILE 64 HA ILE 64 -8.161 4.405 4.336 419 HB ILE 64 HB ILE 64 -7.399 1.627 4.916 420 1HG1 ILE 64 HG12 ILE 64 -9.939 1.813 3.608 421 2HG1 ILE 64 HG11 ILE 64 -9.058 3.212 3.218 422 1HG2 ILE 64 HG21 ILE 64 -8.694 2.419 7.100 423 2HG2 ILE 64 HG22 ILE 64 -9.608 1.199 6.284 424 3HG2 ILE 64 HG23 ILE 64 -10.030 2.876 6.090 425 1HD1 ILE 64 HD11 ILE 64 -7.888 0.533 2.843 426 2HD1 ILE 64 HD12 ILE 64 -7.318 2.089 2.198 427 3HD1 ILE 64 HD13 ILE 64 -8.835 1.391 1.647 428 H LEU 65 HN LEU 65 -8.831 5.623 5.933 429 HA LEU 65 HA LEU 65 -7.092 5.804 8.217 430 1HB LEU 65 HB2 LEU 65 -9.005 7.790 6.991 431 2HB LEU 65 HB1 LEU 65 -8.358 7.938 8.573 432 HG LEU 65 HG LEU 65 -6.083 8.080 7.802 433 1HD1 LEU 65 HD11 LEU 65 -7.090 8.182 4.785 434 2HD1 LEU 65 HD12 LEU 65 -6.047 6.985 5.467 435 3HD1 LEU 65 HD13 LEU 65 -5.470 8.548 5.230 436 1HD2 LEU 65 HD21 LEU 65 -7.292 10.260 8.329 437 2HD2 LEU 65 HD22 LEU 65 -7.970 10.364 6.782 438 3HD2 LEU 65 HD23 LEU 65 -6.276 10.670 6.993 439 H SER 66 HN SER 66 -10.392 7.075 8.097 440 HA SER 66 HA SER 66 -11.317 4.679 9.368 441 1HB SER 66 HB2 SER 66 -11.633 7.357 10.720 442 2HB SER 66 HB1 SER 66 -12.347 5.794 11.179 443 HG SER 66 HG SER 66 -9.915 5.170 11.014 444 H ASP 67 HN ASP 67 -12.363 4.325 7.670 445 HA ASP 67 HA ASP 67 -14.042 4.091 6.207 446 1HB ASP 67 HB2 ASP 67 -15.075 3.412 8.323 447 2HB ASP 67 HB1 ASP 67 -15.691 5.041 8.545 448 H ASP 68 HN ASP 68 -13.108 7.024 6.381 449 HA ASP 68 HA ASP 68 -15.269 7.874 4.581 450 1HB ASP 68 HB2 ASP 68 -15.736 8.988 6.715 451 2HB ASP 68 HB1 ASP 68 -14.149 9.750 6.672 452 H ARG 69 HN ARG 69 -12.431 9.660 5.653 453 HA ARG 69 HA ARG 69 -11.756 10.149 2.905 454 1HB ARG 69 HB2 ARG 69 -10.316 10.919 5.478 455 2HB ARG 69 HB1 ARG 69 -9.689 11.240 3.874 456 1HG ARG 69 HG2 ARG 69 -12.392 12.198 4.682 457 2HG ARG 69 HG1 ARG 69 -10.928 13.121 5.041 458 1HD ARG 69 HD2 ARG 69 -11.693 12.170 2.283 459 2HD ARG 69 HD1 ARG 69 -12.096 13.777 2.902 460 HE ARG 69 HE ARG 69 -9.358 13.415 3.232 461 1HH1 ARG 69 HH11 ARG 69 -11.555 13.597 0.447 462 2HH1 ARG 69 HH12 ARG 69 -10.393 14.349 -0.546 463 1HH2 ARG 69 HH21 ARG 69 -7.837 14.438 1.848 464 2HH2 ARG 69 HH22 ARG 69 -8.259 14.818 0.234 465 H LYS 70 HN LYS 70 -11.123 8.415 1.835 466 HA LYS 70 HA LYS 70 -8.924 6.997 3.038 467 1HB LYS 70 HB2 LYS 70 -10.984 5.696 1.205 468 2HB LYS 70 HB1 LYS 70 -9.703 4.876 2.089 469 1HG LYS 70 HG2 LYS 70 -10.899 5.827 4.235 470 2HG LYS 70 HG1 LYS 70 -12.258 6.057 3.158 471 1HD LYS 70 HD2 LYS 70 -10.902 3.507 3.900 472 2HD LYS 70 HD1 LYS 70 -12.497 4.044 4.371 473 1HE LYS 70 HE2 LYS 70 -11.722 3.470 1.493 474 2HE LYS 70 HE1 LYS 70 -12.602 2.306 2.460 475 1HZ LYS 70 HZ1 LYS 70 -13.571 5.031 1.744 476 2HZ LYS 70 HZ2 LYS 70 -14.457 3.879 2.590 477 3HZ LYS 70 HZ3 LYS 70 -13.996 3.603 1.001 478 H LEU 71 HN LEU 71 -7.175 6.780 1.739 479 HA LEU 71 HA LEU 71 -7.236 8.631 -0.567 480 1HB LEU 71 HB2 LEU 71 -4.939 7.907 1.193 481 2HB LEU 71 HB1 LEU 71 -4.939 9.167 0.002 482 HG LEU 71 HG LEU 71 -6.456 9.109 2.619 483 1HD1 LEU 71 HD11 LEU 71 -5.097 11.041 3.200 484 2HD1 LEU 71 HD12 LEU 71 -4.228 10.872 1.672 485 3HD1 LEU 71 HD13 LEU 71 -4.134 9.596 2.887 486 1HD2 LEU 71 HD21 LEU 71 -7.859 10.211 0.906 487 2HD2 LEU 71 HD22 LEU 71 -6.557 11.356 0.556 488 3HD2 LEU 71 HD23 LEU 71 -7.309 11.323 2.139 489 H LYS 72 HN LYS 72 -6.601 7.807 -2.486 490 HA LYS 72 HA LYS 72 -5.544 5.112 -2.509 491 1HB LYS 72 HB2 LYS 72 -6.526 6.948 -4.657 492 2HB LYS 72 HB1 LYS 72 -5.510 5.598 -5.110 493 1HG LYS 72 HG2 LYS 72 -7.769 4.830 -5.401 494 2HG LYS 72 HG1 LYS 72 -7.065 4.075 -3.984 495 1HD LYS 72 HD2 LYS 72 -9.442 4.784 -3.694 496 2HD LYS 72 HD1 LYS 72 -8.378 5.433 -2.471 497 1HE LYS 72 HE2 LYS 72 -8.295 7.538 -3.717 498 2HE LYS 72 HE1 LYS 72 -9.395 6.869 -4.930 499 1HZ LYS 72 HZ1 LYS 72 -10.591 8.216 -3.381 500 2HZ LYS 72 HZ2 LYS 72 -10.000 7.351 -2.047 501 3HZ LYS 72 HZ3 LYS 72 -11.039 6.609 -3.146 502 H ILE 73 HN ILE 73 -3.421 4.568 -3.122 503 HA ILE 73 HA ILE 73 -1.646 6.885 -3.057 504 HB ILE 73 HB ILE 73 -1.183 4.021 -2.246 505 1HG1 ILE 73 HG12 ILE 73 -2.690 4.888 -0.719 506 2HG1 ILE 73 HG11 ILE 73 -1.198 4.639 0.086 507 1HG2 ILE 73 HG21 ILE 73 1.072 5.038 -2.852 508 2HG2 ILE 73 HG22 ILE 73 1.071 4.941 -1.121 509 3HG2 ILE 73 HG23 ILE 73 0.801 6.455 -1.903 510 1HD1 ILE 73 HD11 ILE 73 -0.846 7.359 0.156 511 2HD1 ILE 73 HD12 ILE 73 -2.214 6.874 1.022 512 3HD1 ILE 73 HD13 ILE 73 -2.440 7.525 -0.525 513 HA PRO 74 HA PRO 74 -0.660 5.378 -7.126 514 1HB PRO 74 HB2 PRO 74 -0.280 7.674 -8.273 515 2HB PRO 74 HB1 PRO 74 -1.858 7.313 -7.594 516 1HG PRO 74 HG2 PRO 74 0.333 8.979 -6.405 517 2HG PRO 74 HG1 PRO 74 -1.389 9.360 -6.513 518 1HD PRO 74 HD2 PRO 74 -0.169 8.190 -4.267 519 2HD PRO 74 HD1 PRO 74 -1.902 8.147 -4.644 520 H GLU 75 HN GLU 75 1.266 6.563 -8.654 521 HA GLU 75 HA GLU 75 3.583 5.543 -7.334 522 1HB GLU 75 HB2 GLU 75 3.278 6.497 -10.127 523 2HB GLU 75 HB1 GLU 75 4.642 5.600 -9.488 524 1HG GLU 75 HG2 GLU 75 3.045 3.728 -8.989 525 2HG GLU 75 HG1 GLU 75 1.819 4.644 -9.813 526 H ASN 76 HN ASN 76 2.484 8.737 -8.390 527 HA ASN 76 HA ASN 76 5.143 9.857 -8.343 528 1HB ASN 76 HB2 ASN 76 3.393 10.608 -9.943 529 2HB ASN 76 HB1 ASN 76 2.455 11.224 -8.595 530 1HD2 ASN 76 HD21 ASN 76 5.979 11.524 -9.040 531 2HD2 ASN 76 HD22 ASN 76 5.964 13.229 -9.162 532 H ALA 77 HN ALA 77 3.047 9.078 -5.966 533 HA ALA 77 HA ALA 77 3.716 11.456 -4.372 534 1HB ALA 77 HB1 ALA 77 1.183 10.703 -4.324 535 2HB ALA 77 HB2 ALA 77 1.870 10.818 -2.737 536 3HB ALA 77 HB3 ALA 77 1.716 9.269 -3.475 537 H ASN 78 HN ASN 78 4.995 11.398 -2.588 538 HA ASN 78 HA ASN 78 6.683 9.059 -2.221 539 1HB ASN 78 HB2 ASN 78 6.541 11.592 -0.537 540 2HB ASN 78 HB1 ASN 78 7.742 10.348 -0.382 541 1HD2 ASN 78 HD21 ASN 78 7.999 10.085 -3.383 542 2HD2 ASN 78 HD22 ASN 78 8.879 11.475 -3.834 543 H VAL 79 HN VAL 79 6.588 7.614 -0.494 544 HA VAL 79 HA VAL 79 4.048 7.247 0.742 545 HB VAL 79 HB VAL 79 6.746 6.149 1.532 546 1HG1 VAL 79 HG11 VAL 79 5.459 4.366 2.998 547 2HG1 VAL 79 HG12 VAL 79 3.976 5.078 2.507 548 3HG1 VAL 79 HG13 VAL 79 5.036 5.986 3.555 549 1HG2 VAL 79 HG21 VAL 79 5.978 5.103 -0.704 550 2HG2 VAL 79 HG22 VAL 79 4.464 4.663 0.050 551 3HG2 VAL 79 HG23 VAL 79 5.896 3.913 0.577 552 H PHE 80 HN PHE 80 6.935 8.737 1.831 553 HA PHE 80 HA PHE 80 6.202 9.012 4.559 554 1HB PHE 80 HB2 PHE 80 8.332 9.940 2.835 555 2HB PHE 80 HB1 PHE 80 7.901 11.104 4.021 556 HD1 PHE 80 HD1 PHE 80 9.019 10.858 6.350 557 HD2 PHE 80 HD2 PHE 80 8.563 7.305 3.831 558 HE1 PHE 80 HE1 PHE 80 10.139 9.523 7.937 559 HE2 PHE 80 HE2 PHE 80 9.705 6.047 5.472 560 HZ PHE 80 HZ PHE 80 10.515 7.097 7.550 561 H TYR 81 HN TYR 81 5.275 10.695 1.805 562 HA TYR 81 HA TYR 81 4.365 12.981 3.343 563 1HB TYR 81 HB2 TYR 81 4.947 12.369 0.569 564 2HB TYR 81 HB1 TYR 81 4.010 13.799 0.875 565 HD1 TYR 81 HD1 TYR 81 7.621 12.308 1.271 566 HD2 TYR 81 HD2 TYR 81 5.179 15.903 2.040 567 HE1 TYR 81 HE1 TYR 81 9.519 13.582 1.737 568 HE2 TYR 81 HE2 TYR 81 7.207 17.064 2.484 569 HH TYR 81 HH TYR 81 9.491 16.593 3.201 570 H ALA 82 HN ALA 82 3.281 10.437 1.101 571 HA ALA 82 HA ALA 82 0.591 11.406 1.086 572 1HB ALA 82 HB1 ALA 82 1.661 8.721 0.068 573 2HB ALA 82 HB2 ALA 82 1.615 10.127 -0.926 574 3HB ALA 82 HB3 ALA 82 0.114 9.377 -0.395 575 H MET 83 HN MET 83 2.385 9.275 3.161 576 HA MET 83 HA MET 83 -0.049 8.101 4.031 577 1HB MET 83 HB2 MET 83 1.166 6.720 5.499 578 2HB MET 83 HB1 MET 83 2.093 6.897 4.038 579 1HG MET 83 HG2 MET 83 3.756 7.088 5.668 580 2HG MET 83 HG1 MET 83 3.312 8.780 5.438 581 1HE MET 83 HE1 MET 83 3.069 5.650 7.692 582 2HE MET 83 HE2 MET 83 1.353 5.883 7.341 583 3HE MET 83 HE3 MET 83 1.970 6.155 8.972 584 H ASN 84 HN ASN 84 -0.722 8.293 6.326 585 HA ASN 84 HA ASN 84 -0.909 11.178 6.563 586 1HB ASN 84 HB2 ASN 84 -2.972 10.804 7.712 587 2HB ASN 84 HB1 ASN 84 -3.052 10.207 6.112 588 1HD2 ASN 84 HD21 ASN 84 -2.545 7.366 6.123 589 2HD2 ASN 84 HD22 ASN 84 -3.280 6.706 7.477 590 H SER 85 HN SER 85 -0.393 8.394 8.648 591 HA SER 85 HA SER 85 0.398 8.148 10.880 592 1HB SER 85 HB2 SER 85 1.237 11.061 10.720 593 2HB SER 85 HB1 SER 85 1.831 9.771 11.772 594 HG SER 85 HG SER 85 2.212 8.926 9.317 595 H THR 86 HN THR 86 -1.437 11.097 10.299 596 HA THR 86 HA THR 86 -2.142 11.890 12.792 597 HB THR 86 HB THR 86 -3.855 12.042 10.322 598 HG1 THR 86 HG1 THR 86 -1.473 13.370 11.136 599 1HG2 THR 86 HG21 THR 86 -4.899 13.050 12.489 600 2HG2 THR 86 HG22 THR 86 -4.474 14.354 11.380 601 3HG2 THR 86 HG23 THR 86 -3.418 13.945 12.692 602 H ALA 87 HN ALA 87 -3.782 9.407 10.871 603 HA ALA 87 HA ALA 87 -5.348 8.937 13.284 604 1HB ALA 87 HB1 ALA 87 -7.499 8.506 12.102 605 2HB ALA 87 HB2 ALA 87 -6.852 9.125 10.577 606 3HB ALA 87 HB3 ALA 87 -6.939 10.130 11.987 607 H ASN 88 HN ASN 88 -5.166 6.919 10.121 608 HA ASN 88 HA ASN 88 -4.359 4.865 11.862 609 1HB ASN 88 HB2 ASN 88 -6.729 4.584 11.665 610 2HB ASN 88 HB1 ASN 88 -6.697 4.935 9.950 611 1HD2 ASN 88 HD21 ASN 88 -7.634 3.132 9.326 612 2HD2 ASN 88 HD22 ASN 88 -6.894 1.574 9.402 613 H TYR 89 HN TYR 89 -2.805 3.598 10.630 614 HA TYR 89 HA TYR 89 -2.363 4.595 7.958 615 1HB TYR 89 HB2 TYR 89 -0.006 3.563 8.395 616 2HB TYR 89 HB1 TYR 89 -0.387 5.161 8.833 617 HD1 TYR 89 HD1 TYR 89 -0.014 5.845 11.519 618 HD2 TYR 89 HD2 TYR 89 -0.239 1.541 10.396 619 HE1 TYR 89 HE1 TYR 89 0.534 5.176 13.641 620 HE2 TYR 89 HE2 TYR 89 0.344 1.056 12.635 621 HH TYR 89 HH TYR 89 0.261 3.323 15.131 622 H ASP 90 HN ASP 90 -4.076 3.089 7.317 623 HA ASP 90 HA ASP 90 -2.936 0.358 7.180 624 1HB ASP 90 HB2 ASP 90 -5.235 0.738 8.429 625 2HB ASP 90 HB1 ASP 90 -5.876 0.964 6.821 626 H PHE 91 HN PHE 91 -3.060 -0.646 5.175 627 HA PHE 91 HA PHE 91 -3.814 1.103 3.006 628 1HB PHE 91 HB2 PHE 91 -1.241 -0.510 3.011 629 2HB PHE 91 HB1 PHE 91 -1.937 0.337 1.644 630 HD1 PHE 91 HD1 PHE 91 -0.849 2.325 1.049 631 HD2 PHE 91 HD2 PHE 91 -0.848 1.126 5.118 632 HE1 PHE 91 HE1 PHE 91 0.710 4.161 1.603 633 HE2 PHE 91 HE2 PHE 91 0.587 2.935 5.680 634 HZ PHE 91 HZ PHE 91 1.409 4.495 3.943 635 H VAL 92 HN VAL 92 -4.751 -0.014 1.412 636 HA VAL 92 HA VAL 92 -5.143 -2.892 1.795 637 HB VAL 92 HB VAL 92 -7.024 -0.641 1.117 638 1HG1 VAL 92 HG11 VAL 92 -7.720 -3.676 0.966 639 2HG1 VAL 92 HG12 VAL 92 -7.639 -2.651 -0.467 640 3HG1 VAL 92 HG13 VAL 92 -8.894 -2.418 0.722 641 1HG2 VAL 92 HG21 VAL 92 -7.152 -2.789 3.209 642 2HG2 VAL 92 HG22 VAL 92 -8.385 -1.551 2.967 643 3HG2 VAL 92 HG23 VAL 92 -6.743 -1.095 3.441 644 H LEU 93 HN LEU 93 -4.727 -4.065 -0.092 645 HA LEU 93 HA LEU 93 -4.274 -2.433 -2.441 646 1HB LEU 93 HB2 LEU 93 -2.327 -3.646 -1.917 647 2HB LEU 93 HB1 LEU 93 -3.046 -5.165 -1.626 648 HG LEU 93 HG LEU 93 -3.596 -4.547 -4.253 649 1HD1 LEU 93 HD11 LEU 93 -0.658 -3.799 -3.389 650 2HD1 LEU 93 HD12 LEU 93 -1.732 -2.757 -4.200 651 3HD1 LEU 93 HD13 LEU 93 -1.027 -4.069 -5.069 652 1HD2 LEU 93 HD21 LEU 93 -1.617 -6.537 -2.860 653 2HD2 LEU 93 HD22 LEU 93 -2.127 -6.804 -4.489 654 3HD2 LEU 93 HD23 LEU 93 -3.258 -6.849 -3.184 655 H LYS 94 HN LYS 94 -5.482 -2.565 -4.147 656 HA LYS 94 HA LYS 94 -7.956 -4.184 -3.997 657 1HB LYS 94 HB2 LYS 94 -7.931 -1.561 -5.357 658 2HB LYS 94 HB1 LYS 94 -9.250 -2.271 -4.429 659 1HG LYS 94 HG2 LYS 94 -8.613 -0.239 -3.231 660 2HG LYS 94 HG1 LYS 94 -7.769 -1.539 -2.362 661 1HD LYS 94 HD2 LYS 94 -6.008 -0.127 -2.677 662 2HD LYS 94 HD1 LYS 94 -5.957 -1.001 -4.144 663 1HE LYS 94 HE2 LYS 94 -7.061 1.820 -3.860 664 2HE LYS 94 HE1 LYS 94 -5.695 1.254 -4.764 665 1HZ LYS 94 HZ1 LYS 94 -7.348 1.634 -6.304 666 2HZ LYS 94 HZ2 LYS 94 -8.541 0.875 -5.397 667 3HZ LYS 94 HZ3 LYS 94 -7.343 -0.054 -6.151 668 H LYS 95 HN LYS 95 -8.730 -4.882 -6.046 669 HA LYS 95 HA LYS 95 -6.817 -4.732 -8.256 670 1HB LYS 95 HB2 LYS 95 -7.655 -6.942 -7.673 671 2HB LYS 95 HB1 LYS 95 -9.306 -6.387 -7.832 672 1HG LYS 95 HG2 LYS 95 -8.926 -5.963 -10.198 673 2HG LYS 95 HG1 LYS 95 -7.302 -6.634 -10.109 674 1HD LYS 95 HD2 LYS 95 -8.217 -8.789 -9.348 675 2HD LYS 95 HD1 LYS 95 -9.848 -8.136 -9.404 676 1HE LYS 95 HE2 LYS 95 -9.434 -9.512 -11.347 677 2HE LYS 95 HE1 LYS 95 -9.605 -7.866 -11.901 678 1HZ LYS 95 HZ1 LYS 95 -7.125 -9.444 -11.592 679 2HZ LYS 95 HZ2 LYS 95 -7.071 -7.797 -11.826 680 3HZ LYS 95 HZ3 LYS 95 -7.744 -8.783 -13.011 681 H ARG 96 HN ARG 96 -7.157 -3.094 -9.675 682 HA ARG 96 HA ARG 96 -9.941 -2.410 -10.152 683 1HB ARG 96 HB2 ARG 96 -7.503 -0.726 -10.605 684 2HB ARG 96 HB1 ARG 96 -9.122 -0.189 -10.914 685 1HG ARG 96 HG2 ARG 96 -9.312 -1.095 -8.398 686 2HG ARG 96 HG1 ARG 96 -7.665 -0.469 -8.466 687 1HD ARG 96 HD2 ARG 96 -10.261 0.966 -9.088 688 2HD ARG 96 HD1 ARG 96 -9.121 1.361 -7.805 689 HE ARG 96 HE ARG 96 -7.628 1.668 -9.968 690 1HH1 ARG 96 HH11 ARG 96 -10.823 2.898 -9.059 691 2HH1 ARG 96 HH12 ARG 96 -10.744 4.258 -10.081 692 1HH2 ARG 96 HH21 ARG 96 -7.541 3.508 -11.393 693 2HH2 ARG 96 HH22 ARG 96 -8.839 4.611 -11.453 694 H THR 97 HN THR 97 -10.164 -4.152 -11.536 695 HA THR 97 HA THR 97 -9.788 -3.518 -14.078 696 HB THR 97 HB THR 97 -8.083 -5.775 -12.981 697 HG1 THR 97 HG1 THR 97 -7.444 -3.469 -13.563 698 1HG2 THR 97 HG21 THR 97 -9.387 -6.797 -15.003 699 2HG2 THR 97 HG22 THR 97 -7.684 -6.683 -15.364 700 3HG2 THR 97 HG23 THR 97 -8.765 -5.503 -15.996 Start of MODEL 2 1 1H ASP 11 HT1 ASP 11 15.561 6.475 7.723 2 2H ASP 11 HT2 ASP 11 15.726 6.135 9.368 3 3H ASP 11 HT3 ASP 11 16.148 7.667 8.775 4 HA ASP 11 HA ASP 11 14.003 7.634 9.912 5 1HB ASP 11 HB2 ASP 11 13.795 7.953 6.932 6 2HB ASP 11 HB1 ASP 11 12.649 8.638 8.076 7 H CYS 12 HN CYS 12 11.719 6.711 9.860 8 HA CYS 12 HA CYS 12 11.272 4.637 8.023 9 1HB CYS 12 HB2 CYS 12 11.050 2.781 9.775 10 2HB CYS 12 HB1 CYS 12 12.706 3.332 9.505 11 HG CYS 12 HG CYS 12 11.502 5.114 11.912 12 H CYS 13 HN CYS 13 9.095 3.965 8.080 13 HA CYS 13 HA CYS 13 7.411 5.110 10.111 14 1HB CYS 13 HB2 CYS 13 7.096 5.235 7.125 15 2HB CYS 13 HB1 CYS 13 5.801 5.540 8.273 16 HG CYS 13 HG CYS 13 8.455 7.300 9.036 17 H ILE 14 HN ILE 14 5.482 3.912 10.378 18 HA ILE 14 HA ILE 14 5.791 1.096 9.605 19 HB ILE 14 HB ILE 14 4.467 2.431 11.940 20 1HG1 ILE 14 HG12 ILE 14 6.764 2.500 12.229 21 2HG1 ILE 14 HG11 ILE 14 6.161 1.302 13.324 22 1HG2 ILE 14 HG21 ILE 14 4.065 -0.016 12.839 23 2HG2 ILE 14 HG22 ILE 14 4.850 -0.590 11.408 24 3HG2 ILE 14 HG23 ILE 14 3.280 0.167 11.260 25 1HD1 ILE 14 HD11 ILE 14 8.324 0.293 12.164 26 2HD1 ILE 14 HD12 ILE 14 7.577 0.561 10.622 27 3HD1 ILE 14 HD13 ILE 14 6.904 -0.608 11.676 28 H ILE 15 HN ILE 15 4.242 0.295 8.320 29 HA ILE 15 HA ILE 15 1.656 1.554 8.393 30 HB ILE 15 HB ILE 15 1.251 1.867 6.154 31 1HG1 ILE 15 HG12 ILE 15 2.202 -0.332 5.407 32 2HG1 ILE 15 HG11 ILE 15 2.168 0.815 4.157 33 1HG2 ILE 15 HG21 ILE 15 3.209 3.490 5.233 34 2HG2 ILE 15 HG22 ILE 15 4.152 2.916 6.606 35 3HG2 ILE 15 HG23 ILE 15 2.760 3.759 6.884 36 1HD1 ILE 15 HD11 ILE 15 4.853 -0.239 5.491 37 2HD1 ILE 15 HD12 ILE 15 4.851 0.939 4.192 38 3HD1 ILE 15 HD13 ILE 15 4.251 -0.552 3.933 39 H ARG 16 HN ARG 16 -0.078 0.204 7.382 40 HA ARG 16 HA ARG 16 0.565 -2.599 8.001 41 1HB ARG 16 HB2 ARG 16 -1.343 -0.979 9.124 42 2HB ARG 16 HB1 ARG 16 -2.237 -1.775 7.842 43 1HG ARG 16 HG2 ARG 16 -1.360 -3.947 8.648 44 2HG ARG 16 HG1 ARG 16 -0.753 -3.059 10.045 45 1HD ARG 16 HD2 ARG 16 -3.596 -3.485 9.184 46 2HD ARG 16 HD1 ARG 16 -2.843 -4.001 10.689 47 HE ARG 16 HE ARG 16 -4.051 -1.512 10.098 48 1HH1 ARG 16 HH11 ARG 16 -1.482 -2.886 12.162 49 2HH1 ARG 16 HH12 ARG 16 -1.631 -1.688 13.350 50 1HH2 ARG 16 HH21 ARG 16 -4.246 0.091 11.711 51 2HH2 ARG 16 HH22 ARG 16 -3.265 0.041 13.117 52 H VAL 17 HN VAL 17 -0.309 -4.189 6.650 53 HA VAL 17 HA VAL 17 -1.277 -3.209 4.089 54 HB VAL 17 HB VAL 17 0.781 -5.324 4.660 55 1HG1 VAL 17 HG11 VAL 17 -0.539 -5.988 2.495 56 2HG1 VAL 17 HG12 VAL 17 1.138 -5.624 2.152 57 3HG1 VAL 17 HG13 VAL 17 -0.066 -4.437 1.793 58 1HG2 VAL 17 HG21 VAL 17 2.498 -3.926 3.364 59 2HG2 VAL 17 HG22 VAL 17 1.902 -2.972 4.706 60 3HG2 VAL 17 HG23 VAL 17 1.336 -2.697 3.089 61 H SER 18 HN SER 18 -2.984 -4.258 3.294 62 HA SER 18 HA SER 18 -3.768 -6.915 4.155 63 1HB SER 18 HB2 SER 18 -6.131 -5.898 4.890 64 2HB SER 18 HB1 SER 18 -4.843 -5.259 5.867 65 HG SER 18 HG SER 18 -4.802 -3.555 4.118 66 H LEU 19 HN LEU 19 -5.816 -7.673 2.619 67 HA LEU 19 HA LEU 19 -4.788 -7.041 -0.059 68 1HB LEU 19 HB2 LEU 19 -6.125 -9.541 0.972 69 2HB LEU 19 HB1 LEU 19 -5.625 -9.152 -0.673 70 HG LEU 19 HG LEU 19 -3.639 -9.180 1.576 71 1HD1 LEU 19 HD11 LEU 19 -4.844 -11.494 1.641 72 2HD1 LEU 19 HD12 LEU 19 -3.224 -11.763 1.250 73 3HD1 LEU 19 HD13 LEU 19 -4.423 -11.869 0.015 74 1HD2 LEU 19 HD21 LEU 19 -3.386 -9.534 -1.525 75 2HD2 LEU 19 HD22 LEU 19 -1.974 -9.556 -0.505 76 3HD2 LEU 19 HD23 LEU 19 -2.938 -8.142 -0.637 77 H ASP 20 HN ASP 20 -6.197 -6.989 -1.822 78 HA ASP 20 HA ASP 20 -8.872 -6.087 -1.694 79 1HB ASP 20 HB2 ASP 20 -7.367 -6.012 -3.742 80 2HB ASP 20 HB1 ASP 20 -7.616 -7.731 -3.924 81 H VAL 21 HN VAL 21 -7.682 -9.237 -2.655 82 HA VAL 21 HA VAL 21 -10.030 -10.670 -2.770 83 HB VAL 21 HB VAL 21 -7.788 -11.441 -3.467 84 1HG1 VAL 21 HG11 VAL 21 -7.666 -12.599 -0.603 85 2HG1 VAL 21 HG12 VAL 21 -6.442 -11.506 -1.164 86 3HG1 VAL 21 HG13 VAL 21 -6.558 -13.127 -1.813 87 1HG2 VAL 21 HG21 VAL 21 -9.629 -13.421 -2.146 88 2HG2 VAL 21 HG22 VAL 21 -8.368 -13.873 -3.293 89 3HG2 VAL 21 HG23 VAL 21 -9.689 -12.825 -3.804 90 H ASP 22 HN ASP 22 -8.299 -9.950 0.142 91 HA ASP 22 HA ASP 22 -10.689 -10.635 1.584 92 1HB ASP 22 HB2 ASP 22 -9.370 -12.639 2.015 93 2HB ASP 22 HB1 ASP 22 -7.968 -11.663 2.468 94 H ASN 23 HN ASN 23 -11.145 -8.645 1.856 95 HA ASN 23 HA ASN 23 -9.138 -6.775 2.777 96 1HB ASN 23 HB2 ASN 23 -10.792 -5.046 2.324 97 2HB ASN 23 HB1 ASN 23 -10.600 -6.088 0.925 98 1HD2 ASN 23 HD21 ASN 23 -12.824 -4.351 1.651 99 2HD2 ASN 23 HD22 ASN 23 -14.222 -5.342 1.744 100 H GLY 24 HN GLY 24 -10.181 -8.903 4.500 101 1HA GLY 24 HA2 GLY 24 -11.900 -7.713 6.402 102 2HA GLY 24 HA1 GLY 24 -10.950 -9.172 6.699 103 H ASN 25 HN ASN 25 -8.913 -6.885 5.742 104 HA ASN 25 HA ASN 25 -7.405 -5.470 6.581 105 1HB ASN 25 HB2 ASN 25 -9.291 -4.080 7.299 106 2HB ASN 25 HB1 ASN 25 -9.424 -4.991 8.793 107 1HD2 ASN 25 HD21 ASN 25 -7.554 -2.628 7.044 108 2HD2 ASN 25 HD22 ASN 25 -6.629 -2.063 8.388 109 H MET 26 HN MET 26 -5.661 -5.331 7.836 110 HA MET 26 HA MET 26 -3.971 -5.933 9.079 111 1HB MET 26 HB2 MET 26 -5.936 -7.317 10.898 112 2HB MET 26 HB1 MET 26 -4.221 -7.131 11.239 113 1HG MET 26 HG2 MET 26 -4.643 -4.624 10.830 114 2HG MET 26 HG1 MET 26 -6.324 -5.027 11.058 115 1HE MET 26 HE1 MET 26 -5.189 -3.106 14.245 116 2HE MET 26 HE2 MET 26 -6.360 -3.186 12.922 117 3HE MET 26 HE3 MET 26 -4.659 -2.926 12.565 118 H TYR 27 HN TYR 27 -2.438 -7.050 8.585 119 HA TYR 27 HA TYR 27 -2.579 -9.897 8.280 120 1HB TYR 27 HB2 TYR 27 -2.477 -8.018 6.034 121 2HB TYR 27 HB1 TYR 27 -1.285 -9.286 5.945 122 HD1 TYR 27 HD1 TYR 27 -4.881 -8.456 5.998 123 HD2 TYR 27 HD2 TYR 27 -2.064 -11.628 5.389 124 HE1 TYR 27 HE1 TYR 27 -6.640 -9.882 5.066 125 HE2 TYR 27 HE2 TYR 27 -3.779 -12.990 4.489 126 HH TYR 27 HH TYR 27 -7.059 -11.743 4.013 127 H LYS 28 HN LYS 28 -0.475 -7.326 6.997 128 HA LYS 28 HA LYS 28 1.494 -7.999 8.956 129 1HB LYS 28 HB2 LYS 28 3.243 -8.525 7.349 130 2HB LYS 28 HB1 LYS 28 1.912 -9.666 7.270 131 1HG LYS 28 HG2 LYS 28 1.091 -8.318 5.251 132 2HG LYS 28 HG1 LYS 28 2.631 -7.493 5.324 133 1HD LYS 28 HD2 LYS 28 2.819 -9.357 3.723 134 2HD LYS 28 HD1 LYS 28 3.871 -9.617 5.107 135 1HE LYS 28 HE2 LYS 28 2.006 -11.142 6.047 136 2HE LYS 28 HE1 LYS 28 1.247 -11.016 4.470 137 1HZ LYS 28 HZ1 LYS 28 2.539 -12.995 4.589 138 2HZ LYS 28 HZ2 LYS 28 3.914 -12.159 5.036 139 3HZ LYS 28 HZ3 LYS 28 3.304 -11.976 3.495 140 H SER 29 HN SER 29 3.318 -6.573 8.833 141 HA SER 29 HA SER 29 2.467 -3.947 7.873 142 1HB SER 29 HB2 SER 29 4.304 -4.539 10.184 143 2HB SER 29 HB1 SER 29 3.432 -3.050 9.801 144 HG SER 29 HG SER 29 2.431 -5.510 10.684 145 H ILE 30 HN ILE 30 4.019 -2.668 6.914 146 HA ILE 30 HA ILE 30 6.639 -3.920 6.326 147 HB ILE 30 HB ILE 30 5.012 -1.958 4.762 148 1HG1 ILE 30 HG12 ILE 30 5.480 -4.819 3.971 149 2HG1 ILE 30 HG11 ILE 30 4.340 -3.679 3.619 150 1HG2 ILE 30 HG21 ILE 30 7.934 -2.695 4.139 151 2HG2 ILE 30 HG22 ILE 30 7.470 -1.074 4.649 152 3HG2 ILE 30 HG23 ILE 30 7.019 -1.691 3.071 153 1HD1 ILE 30 HD11 ILE 30 6.888 -3.036 2.298 154 2HD1 ILE 30 HD12 ILE 30 5.305 -2.630 1.786 155 3HD1 ILE 30 HD13 ILE 30 5.968 -4.257 1.516 156 H LEU 31 HN LEU 31 8.353 -2.729 7.312 157 HA LEU 31 HA LEU 31 7.749 -0.055 8.116 158 1HB LEU 31 HB2 LEU 31 8.907 -1.393 9.633 159 2HB LEU 31 HB1 LEU 31 10.148 -1.901 8.524 160 HG LEU 31 HG LEU 31 9.842 0.979 9.385 161 1HD1 LEU 31 HD11 LEU 31 10.544 -0.414 11.571 162 2HD1 LEU 31 HD12 LEU 31 11.916 0.489 10.992 163 3HD1 LEU 31 HD13 LEU 31 11.780 -1.159 10.580 164 1HD2 LEU 31 HD21 LEU 31 11.099 0.530 7.376 165 2HD2 LEU 31 HD22 LEU 31 12.223 -0.506 8.252 166 3HD2 LEU 31 HD23 LEU 31 12.159 1.230 8.605 167 H VAL 32 HN VAL 32 7.993 1.573 6.784 168 HA VAL 32 HA VAL 32 9.463 1.063 4.338 169 HB VAL 32 HB VAL 32 7.118 1.619 4.061 170 1HG1 VAL 32 HG11 VAL 32 7.859 4.365 5.229 171 2HG1 VAL 32 HG12 VAL 32 6.774 3.289 6.058 172 3HG1 VAL 32 HG13 VAL 32 6.277 4.114 4.582 173 1HG2 VAL 32 HG21 VAL 32 7.225 3.589 2.347 174 2HG2 VAL 32 HG22 VAL 32 8.500 2.484 1.998 175 3HG2 VAL 32 HG23 VAL 32 8.803 3.958 2.902 176 H THR 33 HN THR 33 11.267 2.300 3.779 177 HA THR 33 HA THR 33 12.060 4.440 5.617 178 HB THR 33 HB THR 33 14.240 4.205 4.333 179 HG1 THR 33 HG1 THR 33 14.248 1.903 3.265 180 1HG2 THR 33 HG21 THR 33 14.298 2.846 6.616 181 2HG2 THR 33 HG22 THR 33 15.067 1.930 5.374 182 3HG2 THR 33 HG23 THR 33 13.473 1.535 5.805 183 H SER 34 HN SER 34 13.164 6.339 4.440 184 HA SER 34 HA SER 34 11.250 7.432 2.636 185 1HB SER 34 HB2 SER 34 13.004 9.355 2.657 186 2HB SER 34 HB1 SER 34 12.355 9.003 4.250 187 HG SER 34 HG SER 34 14.736 9.146 3.846 188 H GLN 35 HN GLN 35 14.083 5.607 2.134 189 HA GLN 35 HA GLN 35 14.753 6.700 -0.413 190 1HB GLN 35 HB2 GLN 35 16.446 5.684 0.999 191 2HB GLN 35 HB1 GLN 35 15.622 4.137 0.909 192 1HG GLN 35 HG2 GLN 35 16.117 3.969 -1.440 193 2HG GLN 35 HG1 GLN 35 16.835 5.580 -1.415 194 1HE2 GLN 35 HE21 GLN 35 17.229 2.252 -0.432 195 2HE2 GLN 35 HE22 GLN 35 18.890 2.385 -0.030 196 H ASP 36 HN ASP 36 12.602 4.223 0.620 197 HA ASP 36 HA ASP 36 12.491 3.067 -2.092 198 1HB ASP 36 HB2 ASP 36 12.543 1.627 0.099 199 2HB ASP 36 HB1 ASP 36 10.846 2.028 0.251 200 H LYS 37 HN LYS 37 10.922 3.520 -3.500 201 HA LYS 37 HA LYS 37 9.140 5.744 -2.839 202 1HB LYS 37 HB2 LYS 37 10.584 5.030 -5.131 203 2HB LYS 37 HB1 LYS 37 8.981 4.452 -5.436 204 1HG LYS 37 HG2 LYS 37 8.056 6.746 -5.404 205 2HG LYS 37 HG1 LYS 37 9.660 7.404 -5.033 206 1HD LYS 37 HD2 LYS 37 10.491 6.381 -7.064 207 2HD LYS 37 HD1 LYS 37 8.852 5.864 -7.445 208 1HE LYS 37 HE2 LYS 37 9.736 8.723 -7.043 209 2HE LYS 37 HE1 LYS 37 9.474 7.903 -8.581 210 1HZ LYS 37 HZ1 LYS 37 7.123 7.640 -7.995 211 2HZ LYS 37 HZ2 LYS 37 7.622 9.232 -8.026 212 3HZ LYS 37 HZ3 LYS 37 7.397 8.492 -6.548 213 H ALA 38 HN ALA 38 6.937 5.727 -3.734 214 HA ALA 38 HA ALA 38 5.554 3.610 -2.470 215 1HB ALA 38 HB1 ALA 38 3.320 4.685 -3.031 216 2HB ALA 38 HB2 ALA 38 4.034 5.738 -4.175 217 3HB ALA 38 HB3 ALA 38 4.385 5.947 -2.488 218 HA PRO 39 HA PRO 39 4.270 1.900 -6.834 219 1HB PRO 39 HB2 PRO 39 6.414 1.863 -8.583 220 2HB PRO 39 HB1 PRO 39 5.081 3.021 -8.680 221 1HG PRO 39 HG2 PRO 39 7.779 3.343 -7.415 222 2HG PRO 39 HG1 PRO 39 6.890 4.482 -8.447 223 1HD PRO 39 HD2 PRO 39 6.932 4.830 -5.823 224 2HD PRO 39 HD1 PRO 39 5.452 5.068 -6.787 225 H ALA 40 HN ALA 40 7.572 1.926 -5.617 226 HA ALA 40 HA ALA 40 7.937 -0.888 -6.082 227 1HB ALA 40 HB1 ALA 40 10.112 -0.712 -4.740 228 2HB ALA 40 HB2 ALA 40 9.665 0.845 -4.175 229 3HB ALA 40 HB3 ALA 40 10.060 0.635 -5.858 230 H VAL 41 HN VAL 41 6.869 1.074 -3.419 231 HA VAL 41 HA VAL 41 6.722 -1.110 -1.542 232 HB VAL 41 HB VAL 41 5.141 1.476 -1.509 233 1HG1 VAL 41 HG11 VAL 41 4.527 0.877 1.063 234 2HG1 VAL 41 HG12 VAL 41 5.399 -0.611 0.862 235 3HG1 VAL 41 HG13 VAL 41 4.013 -0.337 -0.063 236 1HG2 VAL 41 HG21 VAL 41 7.832 0.969 0.144 237 2HG2 VAL 41 HG22 VAL 41 6.944 2.424 0.266 238 3HG2 VAL 41 HG23 VAL 41 7.695 2.040 -1.194 239 H ILE 42 HN ILE 42 4.534 0.192 -3.830 240 HA ILE 42 HA ILE 42 2.226 -1.339 -3.206 241 HB ILE 42 HB ILE 42 3.153 -0.952 -6.041 242 1HG1 ILE 42 HG12 ILE 42 1.993 1.176 -4.304 243 2HG1 ILE 42 HG11 ILE 42 2.920 1.268 -5.720 244 1HG2 ILE 42 HG21 ILE 42 1.149 -2.605 -5.848 245 2HG2 ILE 42 HG22 ILE 42 0.569 -1.157 -6.651 246 3HG2 ILE 42 HG23 ILE 42 0.251 -1.378 -4.977 247 1HD1 ILE 42 HD11 ILE 42 -0.038 0.802 -6.072 248 2HD1 ILE 42 HD12 ILE 42 1.187 0.963 -7.293 249 3HD1 ILE 42 HD13 ILE 42 0.792 2.345 -6.317 250 H ARG 43 HN ARG 43 4.952 -2.044 -5.187 251 HA ARG 43 HA ARG 43 4.314 -4.672 -5.816 252 1HB ARG 43 HB2 ARG 43 6.542 -2.971 -6.151 253 2HB ARG 43 HB1 ARG 43 7.084 -4.592 -5.847 254 1HG ARG 43 HG2 ARG 43 5.886 -5.622 -7.659 255 2HG ARG 43 HG1 ARG 43 4.871 -4.216 -7.869 256 1HD ARG 43 HD2 ARG 43 6.395 -4.539 -9.731 257 2HD ARG 43 HD1 ARG 43 6.688 -3.042 -8.944 258 HE ARG 43 HE ARG 43 8.584 -4.456 -7.758 259 1HH1 ARG 43 HH11 ARG 43 7.563 -4.855 -11.108 260 2HH1 ARG 43 HH12 ARG 43 8.987 -5.636 -11.569 261 1HH2 ARG 43 HH21 ARG 43 10.501 -5.489 -8.386 262 2HH2 ARG 43 HH22 ARG 43 10.712 -6.001 -9.996 263 H LYS 44 HN LYS 44 6.431 -3.361 -3.322 264 HA LYS 44 HA LYS 44 7.474 -5.706 -2.182 265 1HB LYS 44 HB2 LYS 44 6.700 -3.240 -0.672 266 2HB LYS 44 HB1 LYS 44 7.856 -4.453 -0.161 267 1HG LYS 44 HG2 LYS 44 8.175 -2.621 -2.522 268 2HG LYS 44 HG1 LYS 44 8.993 -2.461 -0.974 269 1HD LYS 44 HD2 LYS 44 10.059 -4.516 -1.270 270 2HD LYS 44 HD1 LYS 44 9.254 -4.856 -2.793 271 1HE LYS 44 HE2 LYS 44 11.459 -3.767 -3.572 272 2HE LYS 44 HE1 LYS 44 10.194 -2.601 -3.663 273 1HZ LYS 44 HZ1 LYS 44 12.218 -1.798 -2.593 274 2HZ LYS 44 HZ2 LYS 44 11.841 -2.741 -1.235 275 3HZ LYS 44 HZ3 LYS 44 10.812 -1.516 -1.743 276 H ALA 45 HN ALA 45 4.579 -4.016 -1.530 277 HA ALA 45 HA ALA 45 3.809 -5.707 0.774 278 1HB ALA 45 HB1 ALA 45 2.038 -3.660 -0.734 279 2HB ALA 45 HB2 ALA 45 2.978 -3.265 0.700 280 3HB ALA 45 HB3 ALA 45 1.665 -4.376 0.802 281 H MET 46 HN MET 46 2.944 -5.647 -2.611 282 HA MET 46 HA MET 46 1.194 -7.809 -2.129 283 1HB MET 46 HB2 MET 46 0.757 -7.793 -4.481 284 2HB MET 46 HB1 MET 46 0.934 -6.148 -3.935 285 1HG MET 46 HG2 MET 46 2.138 -6.103 -5.937 286 2HG MET 46 HG1 MET 46 3.357 -6.342 -4.717 287 1HE MET 46 HE1 MET 46 5.117 -7.218 -6.497 288 2HE MET 46 HE2 MET 46 3.916 -6.990 -7.771 289 3HE MET 46 HE3 MET 46 4.781 -8.522 -7.634 290 H ASP 47 HN ASP 47 4.598 -7.526 -3.184 291 HA ASP 47 HA ASP 47 5.149 -10.238 -3.649 292 1HB ASP 47 HB2 ASP 47 6.938 -8.006 -2.611 293 2HB ASP 47 HB1 ASP 47 7.538 -9.636 -2.861 294 H LYS 48 HN LYS 48 4.959 -8.339 -0.777 295 HA LYS 48 HA LYS 48 6.082 -10.111 1.073 296 1HB LYS 48 HB2 LYS 48 5.062 -7.575 1.128 297 2HB LYS 48 HB1 LYS 48 3.877 -8.511 1.994 298 1HG LYS 48 HG2 LYS 48 5.486 -7.469 3.525 299 2HG LYS 48 HG1 LYS 48 5.475 -9.207 3.705 300 1HD LYS 48 HD2 LYS 48 7.765 -8.470 3.729 301 2HD LYS 48 HD1 LYS 48 7.499 -9.268 2.200 302 1HE LYS 48 HE2 LYS 48 7.227 -7.164 1.037 303 2HE LYS 48 HE1 LYS 48 7.394 -6.230 2.509 304 1HZ LYS 48 HZ1 LYS 48 9.677 -7.143 2.691 305 2HZ LYS 48 HZ2 LYS 48 9.444 -6.252 1.282 306 3HZ LYS 48 HZ3 LYS 48 9.461 -7.923 1.213 307 H HIS 49 HN HIS 49 2.978 -9.861 -0.344 308 HA HIS 49 HA HIS 49 1.859 -11.943 1.407 309 1HB HIS 49 HB2 HIS 49 0.499 -10.191 -0.644 310 2HB HIS 49 HB1 HIS 49 -0.284 -11.577 0.110 311 HD2 HIS 49 HD2 HIS 49 1.374 -8.248 1.454 312 HE1 HIS 49 HE1 HIS 49 -1.935 -9.324 3.853 313 HE2 HIS 49 HE2 HIS 49 -0.252 -7.556 3.342 314 H ASN 50 HN ASN 50 3.772 -12.057 -1.093 315 HA ASN 50 HA ASN 50 4.322 -13.527 -2.682 316 1HB ASN 50 HB2 ASN 50 4.131 -15.251 -0.967 317 2HB ASN 50 HB1 ASN 50 2.397 -15.340 -1.196 318 1HD2 ASN 50 HD21 ASN 50 4.726 -15.240 -3.931 319 2HD2 ASN 50 HD22 ASN 50 4.419 -16.863 -4.384 320 H LEU 51 HN LEU 51 3.149 -11.823 -3.813 321 HA LEU 51 HA LEU 51 1.148 -13.060 -5.611 322 1HB LEU 51 HB2 LEU 51 1.327 -10.204 -4.661 323 2HB LEU 51 HB1 LEU 51 0.236 -10.769 -5.900 324 HG LEU 51 HG LEU 51 0.226 -11.704 -3.060 325 1HD1 LEU 51 HD11 LEU 51 -0.520 -9.200 -3.284 326 2HD1 LEU 51 HD12 LEU 51 -1.954 -10.174 -2.968 327 3HD1 LEU 51 HD13 LEU 51 -1.564 -9.698 -4.588 328 1HD2 LEU 51 HD21 LEU 51 -2.030 -12.579 -3.657 329 2HD2 LEU 51 HD22 LEU 51 -0.722 -13.320 -4.573 330 3HD2 LEU 51 HD23 LEU 51 -1.741 -12.091 -5.325 331 H GLU 52 HN GLU 52 3.998 -13.214 -6.015 332 HA GLU 52 HA GLU 52 5.018 -11.241 -7.663 333 1HB GLU 52 HB2 GLU 52 5.499 -14.213 -7.913 334 2HB GLU 52 HB1 GLU 52 6.488 -12.957 -8.629 335 1HG GLU 52 HG2 GLU 52 7.732 -13.470 -6.802 336 2HG GLU 52 HG1 GLU 52 6.735 -12.185 -6.145 337 H GLU 53 HN GLU 53 2.553 -13.446 -8.267 338 HA GLU 53 HA GLU 53 2.643 -13.570 -11.136 339 1HB GLU 53 HB2 GLU 53 0.433 -14.631 -10.896 340 2HB GLU 53 HB1 GLU 53 1.642 -15.357 -9.844 341 1HG GLU 53 HG2 GLU 53 0.738 -13.914 -7.976 342 2HG GLU 53 HG1 GLU 53 -0.515 -13.425 -9.097 343 H GLU 54 HN GLU 54 1.734 -11.106 -9.002 344 HA GLU 54 HA GLU 54 -0.269 -10.039 -10.842 345 1HB GLU 54 HB2 GLU 54 0.150 -9.653 -7.907 346 2HB GLU 54 HB1 GLU 54 -0.966 -8.680 -8.826 347 1HG GLU 54 HG2 GLU 54 -1.084 -11.668 -8.453 348 2HG GLU 54 HG1 GLU 54 -2.077 -10.490 -7.607 349 H GLU 55 HN GLU 55 0.008 -8.005 -11.657 350 HA GLU 55 HA GLU 55 2.432 -6.598 -10.898 351 1HB GLU 55 HB2 GLU 55 0.725 -6.602 -13.287 352 2HB GLU 55 HB1 GLU 55 1.617 -5.135 -12.933 353 1HG GLU 55 HG2 GLU 55 2.986 -6.336 -14.450 354 2HG GLU 55 HG1 GLU 55 3.677 -6.543 -12.839 355 HA PRO 56 HA PRO 56 0.160 -3.373 -8.746 356 1HB PRO 56 HB2 PRO 56 2.342 -1.691 -9.923 357 2HB PRO 56 HB1 PRO 56 1.810 -1.816 -8.231 358 1HG PRO 56 HG2 PRO 56 4.023 -2.885 -9.027 359 2HG PRO 56 HG1 PRO 56 2.960 -3.821 -7.960 360 1HD PRO 56 HD2 PRO 56 3.343 -4.064 -10.933 361 2HD PRO 56 HD1 PRO 56 3.224 -5.333 -9.686 362 H GLU 57 HN GLU 57 0.786 -3.352 -12.100 363 HA GLU 57 HA GLU 57 -0.302 -0.843 -12.776 364 1HB GLU 57 HB2 GLU 57 -0.319 -3.328 -14.486 365 2HB GLU 57 HB1 GLU 57 -0.423 -1.663 -15.044 366 1HG GLU 57 HG2 GLU 57 1.943 -2.950 -13.702 367 2HG GLU 57 HG1 GLU 57 1.797 -2.533 -15.405 368 H ASP 58 HN ASP 58 -1.806 -3.912 -12.138 369 HA ASP 58 HA ASP 58 -4.449 -2.858 -12.870 370 1HB ASP 58 HB2 ASP 58 -3.457 -5.582 -12.171 371 2HB ASP 58 HB1 ASP 58 -5.179 -5.226 -12.112 372 H TYR 59 HN TYR 59 -2.640 -2.432 -10.314 373 HA TYR 59 HA TYR 59 -4.870 -2.572 -8.443 374 1HB TYR 59 HB2 TYR 59 -2.094 -3.586 -7.948 375 2HB TYR 59 HB1 TYR 59 -3.308 -3.261 -6.705 376 HD1 TYR 59 HD1 TYR 59 -2.583 -5.478 -9.630 377 HD2 TYR 59 HD2 TYR 59 -4.979 -4.835 -6.188 378 HE1 TYR 59 HE1 TYR 59 -3.560 -7.742 -9.868 379 HE2 TYR 59 HE2 TYR 59 -5.918 -7.077 -6.418 380 HH TYR 59 HH TYR 59 -4.656 -9.352 -8.666 381 H GLU 60 HN GLU 60 -4.343 -1.355 -6.464 382 HA GLU 60 HA GLU 60 -2.293 0.708 -6.764 383 1HB GLU 60 HB2 GLU 60 -5.101 1.341 -5.836 384 2HB GLU 60 HB1 GLU 60 -3.772 2.442 -5.945 385 1HG GLU 60 HG2 GLU 60 -4.792 1.081 -8.343 386 2HG GLU 60 HG1 GLU 60 -5.601 2.539 -7.743 387 H LEU 61 HN LEU 61 -1.788 1.488 -4.673 388 HA LEU 61 HA LEU 61 -2.844 -0.205 -2.605 389 1HB LEU 61 HB2 LEU 61 -0.835 -0.707 -2.010 390 2HB LEU 61 HB1 LEU 61 -0.229 0.178 -3.342 391 HG LEU 61 HG LEU 61 -0.589 1.505 -0.684 392 1HD1 LEU 61 HD11 LEU 61 2.088 0.858 -0.171 393 2HD1 LEU 61 HD12 LEU 61 2.007 -0.152 -1.560 394 3HD1 LEU 61 HD13 LEU 61 1.089 -0.547 -0.210 395 1HD2 LEU 61 HD21 LEU 61 1.027 3.233 -1.436 396 2HD2 LEU 61 HD22 LEU 61 -0.039 2.988 -2.732 397 3HD2 LEU 61 HD23 LEU 61 1.551 2.376 -2.848 398 H LEU 62 HN LEU 62 -4.029 0.498 -1.085 399 HA LEU 62 HA LEU 62 -4.861 3.340 -1.312 400 1HB LEU 62 HB2 LEU 62 -6.183 1.291 -2.259 401 2HB LEU 62 HB1 LEU 62 -6.529 0.934 -0.617 402 HG LEU 62 HG LEU 62 -7.418 3.515 -1.930 403 1HD1 LEU 62 HD11 LEU 62 -8.621 1.851 -3.083 404 2HD1 LEU 62 HD12 LEU 62 -9.708 2.465 -1.851 405 3HD1 LEU 62 HD13 LEU 62 -8.912 0.920 -1.607 406 1HD2 LEU 62 HD21 LEU 62 -7.388 3.658 0.652 407 2HD2 LEU 62 HD22 LEU 62 -8.262 2.161 0.668 408 3HD2 LEU 62 HD23 LEU 62 -9.061 3.577 0.074 409 H GLN 63 HN GLN 63 -4.844 4.525 0.617 410 HA GLN 63 HA GLN 63 -4.355 3.246 3.127 411 1HB GLN 63 HB2 GLN 63 -4.328 5.929 2.077 412 2HB GLN 63 HB1 GLN 63 -4.652 5.802 3.828 413 1HG GLN 63 HG2 GLN 63 -2.582 4.269 3.780 414 2HG GLN 63 HG1 GLN 63 -2.241 4.998 2.251 415 1HE2 GLN 63 HE21 GLN 63 -3.169 7.764 3.181 416 2HE2 GLN 63 HE22 GLN 63 -1.802 8.279 4.072 417 H ILE 64 HN ILE 64 -5.570 3.162 4.706 418 HA ILE 64 HA ILE 64 -8.319 4.112 4.580 419 HB ILE 64 HB ILE 64 -7.244 1.474 5.434 420 1HG1 ILE 64 HG12 ILE 64 -9.892 1.439 4.150 421 2HG1 ILE 64 HG11 ILE 64 -8.877 2.623 3.471 422 1HG2 ILE 64 HG21 ILE 64 -9.404 0.981 6.869 423 2HG2 ILE 64 HG22 ILE 64 -9.938 2.611 6.608 424 3HG2 ILE 64 HG23 ILE 64 -8.533 2.326 7.555 425 1HD1 ILE 64 HD11 ILE 64 -7.185 1.142 2.875 426 2HD1 ILE 64 HD12 ILE 64 -8.740 0.502 2.345 427 3HD1 ILE 64 HD13 ILE 64 -7.959 -0.166 3.776 428 H LEU 65 HN LEU 65 -8.966 5.395 6.165 429 HA LEU 65 HA LEU 65 -7.087 5.894 8.330 430 1HB LEU 65 HB2 LEU 65 -9.158 7.658 6.996 431 2HB LEU 65 HB1 LEU 65 -8.341 8.038 8.460 432 HG LEU 65 HG LEU 65 -6.198 8.187 7.363 433 1HD1 LEU 65 HD11 LEU 65 -6.408 6.799 5.194 434 2HD1 LEU 65 HD12 LEU 65 -5.951 8.340 4.710 435 3HD1 LEU 65 HD13 LEU 65 -7.580 7.879 4.492 436 1HD2 LEU 65 HD21 LEU 65 -8.339 10.202 6.286 437 2HD2 LEU 65 HD22 LEU 65 -6.652 10.632 6.341 438 3HD2 LEU 65 HD23 LEU 65 -7.508 10.346 7.779 439 H SER 66 HN SER 66 -10.400 6.910 7.845 440 HA SER 66 HA SER 66 -11.384 4.896 9.649 441 1HB SER 66 HB2 SER 66 -11.048 7.102 10.883 442 2HB SER 66 HB1 SER 66 -12.143 7.846 9.719 443 HG SER 66 HG SER 66 -12.852 6.785 11.923 444 H ASP 67 HN ASP 67 -13.916 5.166 9.327 445 HA ASP 67 HA ASP 67 -14.211 4.908 6.509 446 1HB ASP 67 HB2 ASP 67 -16.090 4.317 8.747 447 2HB ASP 67 HB1 ASP 67 -16.679 4.395 7.086 448 H ASP 68 HN ASP 68 -13.685 7.101 6.016 449 HA ASP 68 HA ASP 68 -16.029 8.644 5.532 450 1HB ASP 68 HB2 ASP 68 -15.427 9.562 7.704 451 2HB ASP 68 HB1 ASP 68 -13.747 9.725 7.212 452 H ARG 69 HN ARG 69 -12.475 9.164 5.602 453 HA ARG 69 HA ARG 69 -12.665 9.403 2.696 454 1HB ARG 69 HB2 ARG 69 -10.664 10.767 4.512 455 2HB ARG 69 HB1 ARG 69 -10.657 10.852 2.760 456 1HG ARG 69 HG2 ARG 69 -12.882 11.938 2.858 457 2HG ARG 69 HG1 ARG 69 -12.763 11.941 4.615 458 1HD ARG 69 HD2 ARG 69 -10.988 13.367 2.648 459 2HD ARG 69 HD1 ARG 69 -12.079 14.100 3.817 460 HE ARG 69 HE ARG 69 -9.544 12.739 4.401 461 1HH1 ARG 69 HH11 ARG 69 -12.171 14.780 5.598 462 2HH1 ARG 69 HH12 ARG 69 -11.275 15.411 6.896 463 1HH2 ARG 69 HH21 ARG 69 -8.335 13.581 6.149 464 2HH2 ARG 69 HH22 ARG 69 -9.017 14.697 7.229 465 H LYS 70 HN LYS 70 -11.721 7.817 1.650 466 HA LYS 70 HA LYS 70 -9.487 6.347 2.867 467 1HB LYS 70 HB2 LYS 70 -11.339 5.544 0.577 468 2HB LYS 70 HB1 LYS 70 -10.139 4.531 1.365 469 1HG LYS 70 HG2 LYS 70 -12.505 5.660 2.792 470 2HG LYS 70 HG1 LYS 70 -12.548 4.093 1.990 471 1HD LYS 70 HD2 LYS 70 -10.820 3.236 3.361 472 2HD LYS 70 HD1 LYS 70 -10.496 4.787 4.116 473 1HE LYS 70 HE2 LYS 70 -11.758 3.150 5.543 474 2HE LYS 70 HE1 LYS 70 -12.705 4.594 5.366 475 1HZ LYS 70 HZ1 LYS 70 -14.055 2.682 5.114 476 2HZ LYS 70 HZ2 LYS 70 -13.055 2.018 3.930 477 3HZ LYS 70 HZ3 LYS 70 -13.957 3.412 3.601 478 H LEU 71 HN LEU 71 -7.608 6.157 1.492 479 HA LEU 71 HA LEU 71 -7.621 8.192 -0.672 480 1HB LEU 71 HB2 LEU 71 -5.464 7.588 1.292 481 2HB LEU 71 HB1 LEU 71 -5.346 8.805 0.058 482 HG LEU 71 HG LEU 71 -7.151 8.785 2.485 483 1HD1 LEU 71 HD11 LEU 71 -4.843 9.361 2.969 484 2HD1 LEU 71 HD12 LEU 71 -5.873 10.780 3.154 485 3HD1 LEU 71 HD13 LEU 71 -4.865 10.605 1.719 486 1HD2 LEU 71 HD21 LEU 71 -7.948 11.000 1.857 487 2HD2 LEU 71 HD22 LEU 71 -8.376 9.839 0.615 488 3HD2 LEU 71 HD23 LEU 71 -7.045 10.968 0.353 489 H LYS 72 HN LYS 72 -6.337 7.732 -2.478 490 HA LYS 72 HA LYS 72 -5.215 5.042 -2.466 491 1HB LYS 72 HB2 LYS 72 -6.190 6.731 -4.766 492 2HB LYS 72 HB1 LYS 72 -5.086 5.396 -5.011 493 1HG LYS 72 HG2 LYS 72 -7.231 4.485 -5.488 494 2HG LYS 72 HG1 LYS 72 -6.743 3.899 -3.911 495 1HD LYS 72 HD2 LYS 72 -9.107 4.523 -4.007 496 2HD LYS 72 HD1 LYS 72 -8.251 5.457 -2.797 497 1HE LYS 72 HE2 LYS 72 -8.129 7.341 -4.330 498 2HE LYS 72 HE1 LYS 72 -8.920 6.400 -5.598 499 1HZ LYS 72 HZ1 LYS 72 -10.113 7.214 -2.995 500 2HZ LYS 72 HZ2 LYS 72 -10.867 6.244 -4.118 501 3HZ LYS 72 HZ3 LYS 72 -10.511 7.838 -4.501 502 H ILE 73 HN ILE 73 -3.091 4.730 -2.873 503 HA ILE 73 HA ILE 73 -1.483 7.167 -3.015 504 HB ILE 73 HB ILE 73 -0.839 4.395 -2.091 505 1HG1 ILE 73 HG12 ILE 73 -2.435 5.098 -0.617 506 2HG1 ILE 73 HG11 ILE 73 -0.935 5.011 0.215 507 1HG2 ILE 73 HG21 ILE 73 1.283 5.487 -0.909 508 2HG2 ILE 73 HG22 ILE 73 0.923 6.990 -1.697 509 3HG2 ILE 73 HG23 ILE 73 1.342 5.622 -2.639 510 1HD1 ILE 73 HD11 ILE 73 -2.385 7.771 -0.510 511 2HD1 ILE 73 HD12 ILE 73 -0.880 7.730 0.339 512 3HD1 ILE 73 HD13 ILE 73 -2.281 7.132 1.081 513 HA PRO 74 HA PRO 74 -0.637 5.332 -7.002 514 1HB PRO 74 HB2 PRO 74 -0.203 7.500 -8.340 515 2HB PRO 74 HB1 PRO 74 -1.726 7.335 -7.519 516 1HG PRO 74 HG2 PRO 74 0.693 8.795 -6.508 517 2HG PRO 74 HG1 PRO 74 -0.958 9.411 -6.652 518 1HD PRO 74 HD2 PRO 74 0.038 8.314 -4.315 519 2HD PRO 74 HD1 PRO 74 -1.680 8.309 -4.766 520 H GLU 75 HN GLU 75 1.291 6.367 -8.677 521 HA GLU 75 HA GLU 75 3.642 5.171 -7.507 522 1HB GLU 75 HB2 GLU 75 3.404 6.278 -10.241 523 2HB GLU 75 HB1 GLU 75 4.460 5.018 -9.664 524 1HG GLU 75 HG2 GLU 75 2.701 3.452 -9.503 525 2HG GLU 75 HG1 GLU 75 1.488 4.709 -9.677 526 H ASN 76 HN ASN 76 2.562 8.401 -8.380 527 HA ASN 76 HA ASN 76 5.258 9.417 -8.541 528 1HB ASN 76 HB2 ASN 76 2.623 10.783 -9.144 529 2HB ASN 76 HB1 ASN 76 4.224 11.452 -9.274 530 1HD2 ASN 76 HD21 ASN 76 5.711 10.358 -10.533 531 2HD2 ASN 76 HD22 ASN 76 5.236 9.640 -12.044 532 H ALA 77 HN ALA 77 3.438 8.744 -6.040 533 HA ALA 77 HA ALA 77 4.085 11.292 -4.728 534 1HB ALA 77 HB1 ALA 77 1.514 10.817 -4.697 535 2HB ALA 77 HB2 ALA 77 2.153 10.903 -3.074 536 3HB ALA 77 HB3 ALA 77 1.862 9.365 -3.795 537 H ASN 78 HN ASN 78 5.317 11.314 -3.015 538 HA ASN 78 HA ASN 78 6.818 8.991 -2.303 539 1HB ASN 78 HB2 ASN 78 6.716 11.713 -0.912 540 2HB ASN 78 HB1 ASN 78 7.757 10.414 -0.432 541 1HD2 ASN 78 HD21 ASN 78 8.470 9.513 -3.038 542 2HD2 ASN 78 HD22 ASN 78 9.461 10.742 -3.732 543 H VAL 79 HN VAL 79 6.643 7.669 -0.544 544 HA VAL 79 HA VAL 79 4.024 7.411 0.560 545 HB VAL 79 HB VAL 79 6.605 6.190 1.557 546 1HG1 VAL 79 HG11 VAL 79 4.768 6.062 3.431 547 2HG1 VAL 79 HG12 VAL 79 5.088 4.443 2.857 548 3HG1 VAL 79 HG13 VAL 79 3.695 5.273 2.294 549 1HG2 VAL 79 HG21 VAL 79 6.025 5.168 -0.760 550 2HG2 VAL 79 HG22 VAL 79 4.429 4.799 -0.172 551 3HG2 VAL 79 HG23 VAL 79 5.762 3.968 0.485 552 H PHE 80 HN PHE 80 6.896 8.872 1.717 553 HA PHE 80 HA PHE 80 6.040 9.253 4.471 554 1HB PHE 80 HB2 PHE 80 8.259 10.318 2.817 555 2HB PHE 80 HB1 PHE 80 7.701 11.243 4.203 556 HD1 PHE 80 HD1 PHE 80 8.145 7.415 3.803 557 HD2 PHE 80 HD2 PHE 80 9.611 10.944 5.932 558 HE1 PHE 80 HE1 PHE 80 9.517 6.074 5.170 559 HE2 PHE 80 HE2 PHE 80 10.936 9.534 7.257 560 HZ PHE 80 HZ PHE 80 10.939 7.066 6.926 561 H TYR 81 HN TYR 81 5.484 10.926 1.595 562 HA TYR 81 HA TYR 81 4.652 13.383 2.847 563 1HB TYR 81 HB2 TYR 81 5.044 12.332 0.142 564 2HB TYR 81 HB1 TYR 81 4.164 13.826 0.329 565 HD1 TYR 81 HD1 TYR 81 7.596 12.247 1.405 566 HD2 TYR 81 HD2 TYR 81 5.647 15.997 0.206 567 HE1 TYR 81 HE1 TYR 81 9.661 13.413 1.416 568 HE2 TYR 81 HE2 TYR 81 7.769 17.030 0.261 569 HH TYR 81 HH TYR 81 10.721 15.358 0.464 570 H ALA 82 HN ALA 82 3.322 10.624 1.049 571 HA ALA 82 HA ALA 82 0.709 11.845 1.027 572 1HB ALA 82 HB1 ALA 82 1.500 10.556 -1.049 573 2HB ALA 82 HB2 ALA 82 0.034 9.818 -0.414 574 3HB ALA 82 HB3 ALA 82 1.581 9.124 -0.066 575 H MET 83 HN MET 83 2.366 9.535 3.044 576 HA MET 83 HA MET 83 -0.097 8.365 3.837 577 1HB MET 83 HB2 MET 83 1.047 6.955 5.336 578 2HB MET 83 HB1 MET 83 1.982 7.109 3.878 579 1HG MET 83 HG2 MET 83 3.673 7.289 5.491 580 2HG MET 83 HG1 MET 83 3.186 8.984 5.341 581 1HE MET 83 HE1 MET 83 1.888 6.213 8.799 582 2HE MET 83 HE2 MET 83 3.057 5.762 7.562 583 3HE MET 83 HE3 MET 83 1.354 5.948 7.140 584 H ASN 84 HN ASN 84 -1.055 8.398 5.779 585 HA ASN 84 HA ASN 84 -1.522 11.095 6.430 586 1HB ASN 84 HB2 ASN 84 -3.404 10.003 7.819 587 2HB ASN 84 HB1 ASN 84 -3.469 10.012 6.069 588 1HD2 ASN 84 HD21 ASN 84 -1.492 7.733 8.063 589 2HD2 ASN 84 HD22 ASN 84 -2.432 6.393 7.515 590 H SER 85 HN SER 85 -0.076 8.514 8.253 591 HA SER 85 HA SER 85 0.762 8.338 10.481 592 1HB SER 85 HB2 SER 85 0.977 11.351 10.266 593 2HB SER 85 HB1 SER 85 1.849 10.266 11.357 594 HG SER 85 HG SER 85 2.148 9.562 8.739 595 H THR 86 HN THR 86 -1.325 11.237 10.514 596 HA THR 86 HA THR 86 -1.858 11.588 13.106 597 HB THR 86 HB THR 86 -3.882 11.878 10.890 598 HG1 THR 86 HG1 THR 86 -2.786 13.887 10.549 599 1HG2 THR 86 HG21 THR 86 -4.713 12.506 13.283 600 2HG2 THR 86 HG22 THR 86 -4.556 13.964 12.307 601 3HG2 THR 86 HG23 THR 86 -3.301 13.513 13.412 602 H ALA 87 HN ALA 87 -4.041 9.647 11.053 603 HA ALA 87 HA ALA 87 -4.778 8.124 13.434 604 1HB ALA 87 HB1 ALA 87 -6.530 9.915 13.324 605 2HB ALA 87 HB2 ALA 87 -7.155 8.303 13.102 606 3HB ALA 87 HB3 ALA 87 -7.004 9.344 11.716 607 H ASN 88 HN ASN 88 -4.415 6.161 12.962 608 HA ASN 88 HA ASN 88 -4.364 4.178 11.987 609 1HB ASN 88 HB2 ASN 88 -6.569 5.450 10.514 610 2HB ASN 88 HB1 ASN 88 -6.000 4.021 9.713 611 1HD2 ASN 88 HD21 ASN 88 -6.211 1.997 10.842 612 2HD2 ASN 88 HD22 ASN 88 -7.346 1.860 12.140 613 H TYR 89 HN TYR 89 -3.410 2.971 10.163 614 HA TYR 89 HA TYR 89 -2.458 4.452 7.993 615 1HB TYR 89 HB2 TYR 89 -0.030 3.605 8.404 616 2HB TYR 89 HB1 TYR 89 -0.633 5.069 9.119 617 HD1 TYR 89 HD1 TYR 89 0.602 5.250 11.612 618 HD2 TYR 89 HD2 TYR 89 -0.822 1.314 10.159 619 HE1 TYR 89 HE1 TYR 89 1.223 4.238 13.564 620 HE2 TYR 89 HE2 TYR 89 -0.115 0.420 12.260 621 HH TYR 89 HH TYR 89 1.293 0.833 14.029 622 H ASP 90 HN ASP 90 -4.069 3.054 7.283 623 HA ASP 90 HA ASP 90 -3.153 0.265 7.204 624 1HB ASP 90 HB2 ASP 90 -6.059 1.274 7.265 625 2HB ASP 90 HB1 ASP 90 -5.648 -0.347 6.827 626 H PHE 91 HN PHE 91 -3.052 -0.792 5.191 627 HA PHE 91 HA PHE 91 -3.886 0.824 2.918 628 1HB PHE 91 HB2 PHE 91 -1.197 -0.585 3.153 629 2HB PHE 91 HB1 PHE 91 -1.823 0.106 1.682 630 HD1 PHE 91 HD1 PHE 91 -1.378 1.505 5.161 631 HD2 PHE 91 HD2 PHE 91 -0.677 1.847 1.058 632 HE1 PHE 91 HE1 PHE 91 -0.057 3.451 5.585 633 HE2 PHE 91 HE2 PHE 91 0.775 3.803 1.436 634 HZ PHE 91 HZ PHE 91 1.069 4.646 3.727 635 H VAL 92 HN VAL 92 -4.654 -0.355 1.246 636 HA VAL 92 HA VAL 92 -4.708 -3.297 1.438 637 HB VAL 92 HB VAL 92 -6.829 -1.287 0.636 638 1HG1 VAL 92 HG11 VAL 92 -7.169 -3.384 -0.941 639 2HG1 VAL 92 HG12 VAL 92 -8.451 -3.293 0.234 640 3HG1 VAL 92 HG13 VAL 92 -7.164 -4.387 0.514 641 1HG2 VAL 92 HG21 VAL 92 -6.684 -1.615 2.985 642 2HG2 VAL 92 HG22 VAL 92 -6.855 -3.362 2.804 643 3HG2 VAL 92 HG23 VAL 92 -8.205 -2.296 2.408 644 H LEU 93 HN LEU 93 -4.205 -4.271 -0.618 645 HA LEU 93 HA LEU 93 -3.872 -2.342 -2.796 646 1HB LEU 93 HB2 LEU 93 -2.061 -3.629 -3.427 647 2HB LEU 93 HB1 LEU 93 -2.351 -4.711 -2.092 648 HG LEU 93 HG LEU 93 -3.753 -5.013 -4.729 649 1HD1 LEU 93 HD11 LEU 93 -0.916 -6.408 -4.229 650 2HD1 LEU 93 HD12 LEU 93 -1.096 -4.994 -5.124 651 3HD1 LEU 93 HD13 LEU 93 -1.785 -6.433 -5.735 652 1HD2 LEU 93 HD21 LEU 93 -3.872 -7.647 -3.916 653 2HD2 LEU 93 HD22 LEU 93 -4.690 -6.536 -2.910 654 3HD2 LEU 93 HD23 LEU 93 -3.155 -7.078 -2.428 655 H LYS 94 HN LYS 94 -5.504 -2.119 -4.304 656 HA LYS 94 HA LYS 94 -7.601 -4.038 -4.151 657 1HB LYS 94 HB2 LYS 94 -8.633 -1.989 -5.054 658 2HB LYS 94 HB1 LYS 94 -8.597 -2.117 -3.260 659 1HG LYS 94 HG2 LYS 94 -8.013 0.149 -3.667 660 2HG LYS 94 HG1 LYS 94 -6.445 -0.584 -3.877 661 1HD LYS 94 HD2 LYS 94 -6.818 0.930 -5.638 662 2HD LYS 94 HD1 LYS 94 -6.854 -0.690 -6.363 663 1HE LYS 94 HE2 LYS 94 -9.075 1.329 -5.887 664 2HE LYS 94 HE1 LYS 94 -8.465 0.718 -7.381 665 1HZ LYS 94 HZ1 LYS 94 -9.504 -1.438 -6.992 666 2HZ LYS 94 HZ2 LYS 94 -10.605 -0.216 -6.883 667 3HZ LYS 94 HZ3 LYS 94 -10.086 -0.932 -5.483 668 H LYS 95 HN LYS 95 -8.616 -4.539 -6.063 669 HA LYS 95 HA LYS 95 -6.975 -4.411 -8.427 670 1HB LYS 95 HB2 LYS 95 -8.525 -6.379 -7.743 671 2HB LYS 95 HB1 LYS 95 -9.824 -5.322 -8.210 672 1HG LYS 95 HG2 LYS 95 -9.068 -5.222 -10.469 673 2HG LYS 95 HG1 LYS 95 -7.632 -6.165 -10.029 674 1HD LYS 95 HD2 LYS 95 -9.022 -8.065 -9.446 675 2HD LYS 95 HD1 LYS 95 -10.490 -7.133 -9.717 676 1HE LYS 95 HE2 LYS 95 -8.532 -8.091 -11.871 677 2HE LYS 95 HE1 LYS 95 -10.183 -8.573 -11.633 678 1HZ LYS 95 HZ1 LYS 95 -9.299 -5.882 -12.463 679 2HZ LYS 95 HZ2 LYS 95 -10.869 -6.249 -12.091 680 3HZ LYS 95 HZ3 LYS 95 -10.124 -7.006 -13.400 681 H ARG 96 HN ARG 96 -7.066 -2.899 -9.934 682 HA ARG 96 HA ARG 96 -9.081 -0.895 -9.852 683 1HB ARG 96 HB2 ARG 96 -6.929 -1.331 -11.935 684 2HB ARG 96 HB1 ARG 96 -7.949 0.076 -11.747 685 1HG ARG 96 HG2 ARG 96 -7.247 0.410 -9.556 686 2HG ARG 96 HG1 ARG 96 -6.018 -0.823 -9.684 687 1HD ARG 96 HD2 ARG 96 -5.029 1.478 -10.073 688 2HD ARG 96 HD1 ARG 96 -4.766 0.457 -11.438 689 HE ARG 96 HE ARG 96 -7.092 2.015 -11.820 690 1HH1 ARG 96 HH11 ARG 96 -3.685 2.649 -11.159 691 2HH1 ARG 96 HH12 ARG 96 -3.535 3.879 -12.320 692 1HH2 ARG 96 HH21 ARG 96 -6.951 3.802 -13.353 693 2HH2 ARG 96 HH22 ARG 96 -5.451 4.553 -13.602 694 H THR 97 HN THR 97 -10.917 -1.832 -10.172 695 HA THR 97 HA THR 97 -12.753 -2.583 -11.186 696 HB THR 97 HB THR 97 -13.087 -2.239 -13.640 697 HG1 THR 97 HG1 THR 97 -10.387 -2.318 -13.655 698 1HG2 THR 97 HG21 THR 97 -11.601 0.221 -12.471 699 2HG2 THR 97 HG22 THR 97 -13.332 0.041 -12.325 700 3HG2 THR 97 HG23 THR 97 -12.591 0.303 -13.868 Start of MODEL 3 1 1H ASP 11 HT1 ASP 11 15.838 6.337 8.619 2 2H ASP 11 HT2 ASP 11 15.588 6.073 10.246 3 3H ASP 11 HT3 ASP 11 16.033 7.622 9.716 4 HA ASP 11 HA ASP 11 13.759 7.561 10.261 5 1HB ASP 11 HB2 ASP 11 12.794 8.381 8.101 6 2HB ASP 11 HB1 ASP 11 14.421 8.963 8.348 7 H CYS 12 HN CYS 12 11.630 6.415 10.133 8 HA CYS 12 HA CYS 12 11.331 4.243 8.328 9 1HB CYS 12 HB2 CYS 12 10.983 2.560 10.264 10 2HB CYS 12 HB1 CYS 12 12.655 3.043 9.968 11 HG CYS 12 HG CYS 12 11.217 5.037 12.131 12 H CYS 13 HN CYS 13 9.116 3.707 8.149 13 HA CYS 13 HA CYS 13 7.336 4.656 10.210 14 1HB CYS 13 HB2 CYS 13 7.064 4.813 7.217 15 2HB CYS 13 HB1 CYS 13 5.717 4.975 8.326 16 HG CYS 13 HG CYS 13 8.137 7.009 9.192 17 H ILE 14 HN ILE 14 5.692 3.198 10.623 18 HA ILE 14 HA ILE 14 6.063 0.558 9.410 19 HB ILE 14 HB ILE 14 4.807 1.348 12.047 20 1HG1 ILE 14 HG12 ILE 14 7.485 0.127 11.429 21 2HG1 ILE 14 HG11 ILE 14 7.236 1.756 11.947 22 1HG2 ILE 14 HG21 ILE 14 3.989 -0.962 11.094 23 2HG2 ILE 14 HG22 ILE 14 5.038 -1.276 12.475 24 3HG2 ILE 14 HG23 ILE 14 5.668 -1.383 10.866 25 1HD1 ILE 14 HD11 ILE 14 6.317 0.919 14.255 26 2HD1 ILE 14 HD12 ILE 14 7.931 0.301 14.084 27 3HD1 ILE 14 HD13 ILE 14 6.564 -0.716 13.759 28 H ILE 15 HN ILE 15 4.406 -0.120 8.139 29 HA ILE 15 HA ILE 15 1.812 1.293 8.379 30 HB ILE 15 HB ILE 15 1.622 1.320 6.014 31 1HG1 ILE 15 HG12 ILE 15 4.304 -0.133 5.993 32 2HG1 ILE 15 HG11 ILE 15 2.775 -0.755 5.696 33 1HG2 ILE 15 HG21 ILE 15 4.444 2.659 6.790 34 2HG2 ILE 15 HG22 ILE 15 2.981 3.387 7.124 35 3HG2 ILE 15 HG23 ILE 15 3.461 3.317 5.513 36 1HD1 ILE 15 HD11 ILE 15 4.226 1.080 3.527 37 2HD1 ILE 15 HD12 ILE 15 2.605 0.549 3.367 38 3HD1 ILE 15 HD13 ILE 15 3.875 -0.596 3.370 39 H ARG 16 HN ARG 16 -0.011 0.087 7.499 40 HA ARG 16 HA ARG 16 0.483 -2.784 7.757 41 1HB ARG 16 HB2 ARG 16 -0.829 -1.605 9.568 42 2HB ARG 16 HB1 ARG 16 -2.058 -1.331 8.359 43 1HG ARG 16 HG2 ARG 16 -1.064 -4.075 8.777 44 2HG ARG 16 HG1 ARG 16 -2.167 -3.512 9.982 45 1HD ARG 16 HD2 ARG 16 -2.657 -3.510 6.998 46 2HD ARG 16 HD1 ARG 16 -3.110 -4.860 7.999 47 HE ARG 16 HE ARG 16 -4.526 -2.747 9.082 48 1HH1 ARG 16 HH11 ARG 16 -4.094 -3.672 5.723 49 2HH1 ARG 16 HH12 ARG 16 -5.705 -3.453 5.304 50 1HH2 ARG 16 HH21 ARG 16 -6.703 -2.315 8.506 51 2HH2 ARG 16 HH22 ARG 16 -7.246 -2.603 6.924 52 H VAL 17 HN VAL 17 -0.429 -4.265 6.344 53 HA VAL 17 HA VAL 17 -1.830 -3.132 4.020 54 HB VAL 17 HB VAL 17 0.314 -5.238 4.021 55 1HG1 VAL 17 HG11 VAL 17 -1.023 -4.039 1.446 56 2HG1 VAL 17 HG12 VAL 17 -1.311 -5.659 2.006 57 3HG1 VAL 17 HG13 VAL 17 0.263 -5.202 1.400 58 1HG2 VAL 17 HG21 VAL 17 1.331 -2.822 4.206 59 2HG2 VAL 17 HG22 VAL 17 0.723 -2.537 2.562 60 3HG2 VAL 17 HG23 VAL 17 1.908 -3.711 2.826 61 H SER 18 HN SER 18 -3.499 -4.421 3.154 62 HA SER 18 HA SER 18 -3.659 -7.253 3.782 63 1HB SER 18 HB2 SER 18 -6.140 -6.998 4.560 64 2HB SER 18 HB1 SER 18 -5.152 -5.980 5.546 65 HG SER 18 HG SER 18 -6.941 -5.341 3.626 66 H LEU 19 HN LEU 19 -5.220 -8.323 2.157 67 HA LEU 19 HA LEU 19 -4.741 -7.091 -0.445 68 1HB LEU 19 HB2 LEU 19 -5.841 -9.830 0.252 69 2HB LEU 19 HB1 LEU 19 -5.672 -9.090 -1.336 70 HG LEU 19 HG LEU 19 -3.304 -9.571 0.475 71 1HD1 LEU 19 HD11 LEU 19 -4.473 -11.869 0.118 72 2HD1 LEU 19 HD12 LEU 19 -2.957 -11.957 -0.620 73 3HD1 LEU 19 HD13 LEU 19 -4.353 -11.787 -1.596 74 1HD2 LEU 19 HD21 LEU 19 -3.529 -9.112 -2.626 75 2HD2 LEU 19 HD22 LEU 19 -1.982 -9.312 -1.849 76 3HD2 LEU 19 HD23 LEU 19 -2.978 -7.964 -1.483 77 H ASP 20 HN ASP 20 -6.372 -6.790 -1.985 78 HA ASP 20 HA ASP 20 -8.966 -6.043 -1.556 79 1HB ASP 20 HB2 ASP 20 -7.690 -6.100 -3.737 80 2HB ASP 20 HB1 ASP 20 -8.017 -7.812 -3.821 81 H VAL 21 HN VAL 21 -7.922 -9.319 -2.329 82 HA VAL 21 HA VAL 21 -10.384 -10.530 -1.738 83 HB VAL 21 HB VAL 21 -8.568 -11.626 -3.024 84 1HG1 VAL 21 HG11 VAL 21 -6.967 -13.265 -1.764 85 2HG1 VAL 21 HG12 VAL 21 -7.686 -12.770 -0.297 86 3HG1 VAL 21 HG13 VAL 21 -6.629 -11.666 -1.102 87 1HG2 VAL 21 HG21 VAL 21 -9.297 -13.942 -2.436 88 2HG2 VAL 21 HG22 VAL 21 -10.611 -12.775 -2.576 89 3HG2 VAL 21 HG23 VAL 21 -10.048 -13.280 -0.986 90 H ASP 22 HN ASP 22 -7.912 -9.698 0.568 91 HA ASP 22 HA ASP 22 -9.748 -10.642 2.626 92 1HB ASP 22 HB2 ASP 22 -7.983 -12.271 2.765 93 2HB ASP 22 HB1 ASP 22 -6.737 -11.019 2.754 94 H ASN 23 HN ASN 23 -10.584 -8.753 2.868 95 HA ASN 23 HA ASN 23 -8.906 -6.504 3.712 96 1HB ASN 23 HB2 ASN 23 -10.820 -5.105 3.060 97 2HB ASN 23 HB1 ASN 23 -10.299 -6.113 1.718 98 1HD2 ASN 23 HD21 ASN 23 -12.888 -4.829 2.181 99 2HD2 ASN 23 HD22 ASN 23 -14.055 -6.099 2.172 100 H GLY 24 HN GLY 24 -9.614 -8.703 5.435 101 1HA GLY 24 HA2 GLY 24 -11.909 -7.884 7.015 102 2HA GLY 24 HA1 GLY 24 -10.943 -9.328 7.251 103 H ASN 25 HN ASN 25 -9.774 -6.061 7.036 104 HA ASN 25 HA ASN 25 -8.654 -4.668 8.394 105 1HB ASN 25 HB2 ASN 25 -10.707 -4.496 9.662 106 2HB ASN 25 HB1 ASN 25 -10.310 -5.956 10.561 107 1HD2 ASN 25 HD21 ASN 25 -9.635 -2.554 10.178 108 2HD2 ASN 25 HD22 ASN 25 -8.754 -2.365 11.642 109 H MET 26 HN MET 26 -6.646 -5.032 8.291 110 HA MET 26 HA MET 26 -4.567 -5.293 9.077 111 1HB MET 26 HB2 MET 26 -5.533 -4.947 11.410 112 2HB MET 26 HB1 MET 26 -5.777 -6.665 11.420 113 1HG MET 26 HG2 MET 26 -3.354 -7.074 11.381 114 2HG MET 26 HG1 MET 26 -3.094 -5.351 11.203 115 1HE MET 26 HE1 MET 26 -5.089 -3.939 13.186 116 2HE MET 26 HE2 MET 26 -3.380 -3.558 13.014 117 3HE MET 26 HE3 MET 26 -4.058 -3.838 14.615 118 H TYR 27 HN TYR 27 -2.969 -6.604 8.442 119 HA TYR 27 HA TYR 27 -3.284 -9.423 8.702 120 1HB TYR 27 HB2 TYR 27 -4.261 -8.971 6.492 121 2HB TYR 27 HB1 TYR 27 -2.819 -8.121 5.982 122 HD1 TYR 27 HD1 TYR 27 -0.685 -9.509 5.618 123 HD2 TYR 27 HD2 TYR 27 -4.450 -11.335 6.414 124 HE1 TYR 27 HE1 TYR 27 0.169 -11.631 4.780 125 HE2 TYR 27 HE2 TYR 27 -3.588 -13.474 5.587 126 HH TYR 27 HH TYR 27 -1.797 -14.242 4.037 127 H LYS 28 HN LYS 28 -0.984 -7.435 6.730 128 HA LYS 28 HA LYS 28 0.934 -8.136 8.800 129 1HB LYS 28 HB2 LYS 28 2.705 -8.628 7.269 130 2HB LYS 28 HB1 LYS 28 1.312 -9.610 6.871 131 1HG LYS 28 HG2 LYS 28 0.884 -8.292 4.889 132 2HG LYS 28 HG1 LYS 28 2.090 -7.112 5.381 133 1HD LYS 28 HD2 LYS 28 3.004 -8.679 3.667 134 2HD LYS 28 HD1 LYS 28 3.905 -8.691 5.179 135 1HE LYS 28 HE2 LYS 28 2.476 -10.767 5.787 136 2HE LYS 28 HE1 LYS 28 2.019 -10.762 4.082 137 1HZ LYS 28 HZ1 LYS 28 3.875 -12.244 4.580 138 2HZ LYS 28 HZ2 LYS 28 4.838 -10.955 5.021 139 3HZ LYS 28 HZ3 LYS 28 4.295 -11.099 3.441 140 H SER 29 HN SER 29 2.875 -6.846 8.817 141 HA SER 29 HA SER 29 2.199 -4.119 8.090 142 1HB SER 29 HB2 SER 29 2.115 -4.766 10.549 143 2HB SER 29 HB1 SER 29 3.858 -4.995 10.451 144 HG SER 29 HG SER 29 2.962 -2.600 9.440 145 H ILE 30 HN ILE 30 3.819 -2.921 7.108 146 HA ILE 30 HA ILE 30 6.406 -4.291 6.563 147 HB ILE 30 HB ILE 30 5.264 -2.175 4.758 148 1HG1 ILE 30 HG12 ILE 30 3.384 -3.484 4.612 149 2HG1 ILE 30 HG11 ILE 30 4.242 -3.681 3.153 150 1HG2 ILE 30 HG21 ILE 30 6.948 -4.646 3.975 151 2HG2 ILE 30 HG22 ILE 30 7.583 -2.995 3.965 152 3HG2 ILE 30 HG23 ILE 30 6.324 -3.508 2.859 153 1HD1 ILE 30 HD11 ILE 30 5.158 -5.913 3.850 154 2HD1 ILE 30 HD12 ILE 30 3.477 -5.881 3.535 155 3HD1 ILE 30 HD13 ILE 30 4.010 -5.983 5.197 156 H LEU 31 HN LEU 31 8.209 -3.048 7.024 157 HA LEU 31 HA LEU 31 7.658 -0.413 8.019 158 1HB LEU 31 HB2 LEU 31 8.926 -1.835 9.425 159 2HB LEU 31 HB1 LEU 31 10.078 -2.275 8.194 160 HG LEU 31 HG LEU 31 9.815 0.555 9.239 161 1HD1 LEU 31 HD11 LEU 31 11.878 -1.626 10.136 162 2HD1 LEU 31 HD12 LEU 31 10.755 -0.900 11.265 163 3HD1 LEU 31 HD13 LEU 31 12.048 0.028 10.578 164 1HD2 LEU 31 HD21 LEU 31 10.882 0.267 7.099 165 2HD2 LEU 31 HD22 LEU 31 12.092 -0.809 7.793 166 3HD2 LEU 31 HD23 LEU 31 12.045 0.900 8.273 167 H VAL 32 HN VAL 32 8.081 1.288 6.820 168 HA VAL 32 HA VAL 32 9.441 0.781 4.301 169 HB VAL 32 HB VAL 32 7.102 1.227 3.996 170 1HG1 VAL 32 HG11 VAL 32 7.657 3.928 5.357 171 2HG1 VAL 32 HG12 VAL 32 6.669 2.711 6.090 172 3HG1 VAL 32 HG13 VAL 32 6.087 3.607 4.686 173 1HG2 VAL 32 HG21 VAL 32 8.449 2.280 2.008 174 2HG2 VAL 32 HG22 VAL 32 8.664 3.724 2.969 175 3HG2 VAL 32 HG23 VAL 32 7.112 3.328 2.409 176 H THR 33 HN THR 33 11.186 2.121 3.815 177 HA THR 33 HA THR 33 11.720 4.303 5.709 178 HB THR 33 HB THR 33 14.101 4.138 4.801 179 HG1 THR 33 HG1 THR 33 13.074 1.798 3.531 180 1HG2 THR 33 HG21 THR 33 13.861 2.782 7.048 181 2HG2 THR 33 HG22 THR 33 14.812 1.873 5.926 182 3HG2 THR 33 HG23 THR 33 13.174 1.464 6.123 183 H SER 34 HN SER 34 12.801 6.231 4.639 184 HA SER 34 HA SER 34 11.068 6.992 2.476 185 1HB SER 34 HB2 SER 34 11.556 8.795 4.104 186 2HB SER 34 HB1 SER 34 13.293 8.677 3.746 187 HG SER 34 HG SER 34 12.182 9.063 1.500 188 H GLN 35 HN GLN 35 13.951 5.437 2.477 189 HA GLN 35 HA GLN 35 15.200 6.484 0.142 190 1HB GLN 35 HB2 GLN 35 16.686 4.659 0.242 191 2HB GLN 35 HB1 GLN 35 16.196 4.779 1.919 192 1HG GLN 35 HG2 GLN 35 14.501 2.954 1.451 193 2HG GLN 35 HG1 GLN 35 15.266 2.808 -0.123 194 1HE2 GLN 35 HE21 GLN 35 15.563 2.315 3.219 195 2HE2 GLN 35 HE22 GLN 35 16.978 1.330 3.212 196 H ASP 36 HN ASP 36 12.423 4.538 0.526 197 HA ASP 36 HA ASP 36 12.593 3.723 -2.302 198 1HB ASP 36 HB2 ASP 36 12.468 1.886 -0.472 199 2HB ASP 36 HB1 ASP 36 10.811 2.352 -0.251 200 H LYS 37 HN LYS 37 10.618 3.612 -3.453 201 HA LYS 37 HA LYS 37 9.034 6.056 -2.961 202 1HB LYS 37 HB2 LYS 37 9.759 4.594 -5.469 203 2HB LYS 37 HB1 LYS 37 8.580 5.878 -5.487 204 1HG LYS 37 HG2 LYS 37 10.369 7.437 -4.651 205 2HG LYS 37 HG1 LYS 37 11.518 6.098 -4.721 206 1HD LYS 37 HD2 LYS 37 11.033 5.921 -7.121 207 2HD LYS 37 HD1 LYS 37 9.964 7.315 -6.960 208 1HE LYS 37 HE2 LYS 37 12.934 7.291 -6.406 209 2HE LYS 37 HE1 LYS 37 12.113 7.984 -7.800 210 1HZ LYS 37 HZ1 LYS 37 12.742 9.612 -6.115 211 2HZ LYS 37 HZ2 LYS 37 11.687 8.928 -5.012 212 3HZ LYS 37 HZ3 LYS 37 11.100 9.642 -6.417 213 H ALA 38 HN ALA 38 6.771 6.012 -3.847 214 HA ALA 38 HA ALA 38 5.557 3.775 -2.585 215 1HB ALA 38 HB1 ALA 38 3.241 4.744 -2.950 216 2HB ALA 38 HB2 ALA 38 3.842 5.951 -4.010 217 3HB ALA 38 HB3 ALA 38 4.254 6.009 -2.336 218 HA PRO 39 HA PRO 39 3.986 2.313 -6.905 219 1HB PRO 39 HB2 PRO 39 5.973 2.540 -8.818 220 2HB PRO 39 HB1 PRO 39 4.570 3.615 -8.725 221 1HG PRO 39 HG2 PRO 39 7.331 3.998 -7.610 222 2HG PRO 39 HG1 PRO 39 6.337 5.152 -8.531 223 1HD PRO 39 HD2 PRO 39 6.471 5.400 -5.924 224 2HD PRO 39 HD1 PRO 39 4.905 5.486 -6.800 225 H ALA 40 HN ALA 40 7.363 2.379 -5.890 226 HA ALA 40 HA ALA 40 7.721 -0.420 -6.614 227 1HB ALA 40 HB1 ALA 40 9.843 1.131 -6.405 228 2HB ALA 40 HB2 ALA 40 9.992 -0.334 -5.471 229 3HB ALA 40 HB3 ALA 40 9.581 1.133 -4.678 230 H VAL 41 HN VAL 41 6.871 1.306 -3.738 231 HA VAL 41 HA VAL 41 6.721 -1.020 -2.049 232 HB VAL 41 HB VAL 41 5.142 1.533 -1.813 233 1HG1 VAL 41 HG11 VAL 41 5.418 -0.695 0.430 234 2HG1 VAL 41 HG12 VAL 41 4.038 -0.398 -0.495 235 3HG1 VAL 41 HG13 VAL 41 4.474 0.760 0.692 236 1HG2 VAL 41 HG21 VAL 41 7.689 2.095 -1.451 237 2HG2 VAL 41 HG22 VAL 41 7.848 0.942 -0.204 238 3HG2 VAL 41 HG23 VAL 41 6.922 2.347 0.057 239 H ILE 42 HN ILE 42 4.661 0.449 -4.215 240 HA ILE 42 HA ILE 42 2.191 -0.849 -3.797 241 HB ILE 42 HB ILE 42 3.576 0.049 -6.297 242 1HG1 ILE 42 HG12 ILE 42 1.440 1.323 -4.626 243 2HG1 ILE 42 HG11 ILE 42 2.809 2.069 -5.287 244 1HG2 ILE 42 HG21 ILE 42 1.429 -0.327 -7.703 245 2HG2 ILE 42 HG22 ILE 42 0.617 -0.800 -6.291 246 3HG2 ILE 42 HG23 ILE 42 1.858 -1.871 -6.955 247 1HD1 ILE 42 HD11 ILE 42 0.911 3.045 -6.509 248 2HD1 ILE 42 HD12 ILE 42 0.446 1.454 -7.098 249 3HD1 ILE 42 HD13 ILE 42 1.971 2.138 -7.559 250 H ARG 43 HN ARG 43 4.908 -1.752 -5.851 251 HA ARG 43 HA ARG 43 3.992 -4.333 -6.402 252 1HB ARG 43 HB2 ARG 43 6.132 -2.813 -7.187 253 2HB ARG 43 HB1 ARG 43 6.868 -4.193 -6.495 254 1HG ARG 43 HG2 ARG 43 5.527 -5.847 -7.848 255 2HG ARG 43 HG1 ARG 43 4.594 -4.540 -8.480 256 1HD ARG 43 HD2 ARG 43 6.072 -5.429 -10.152 257 2HD ARG 43 HD1 ARG 43 6.456 -3.778 -9.818 258 HE ARG 43 HE ARG 43 8.298 -4.780 -8.364 259 1HH1 ARG 43 HH11 ARG 43 7.074 -6.341 -11.305 260 2HH1 ARG 43 HH12 ARG 43 8.408 -7.376 -11.506 261 1HH2 ARG 43 HH21 ARG 43 10.160 -6.222 -8.647 262 2HH2 ARG 43 HH22 ARG 43 10.207 -7.298 -9.959 263 H LYS 44 HN LYS 44 6.282 -3.092 -4.025 264 HA LYS 44 HA LYS 44 7.311 -5.473 -2.917 265 1HB LYS 44 HB2 LYS 44 6.769 -2.965 -1.358 266 2HB LYS 44 HB1 LYS 44 7.917 -4.220 -0.962 267 1HG LYS 44 HG2 LYS 44 8.089 -2.468 -3.383 268 2HG LYS 44 HG1 LYS 44 9.007 -2.203 -1.886 269 1HD LYS 44 HD2 LYS 44 10.022 -4.335 -2.178 270 2HD LYS 44 HD1 LYS 44 9.147 -4.631 -3.675 271 1HE LYS 44 HE2 LYS 44 11.268 -3.598 -4.596 272 2HE LYS 44 HE1 LYS 44 10.084 -2.342 -4.485 273 1HZ LYS 44 HZ1 LYS 44 11.035 -1.384 -2.587 274 2HZ LYS 44 HZ2 LYS 44 12.329 -1.820 -3.582 275 3HZ LYS 44 HZ3 LYS 44 11.945 -2.769 -2.264 276 H ALA 45 HN ALA 45 4.540 -3.609 -1.972 277 HA ALA 45 HA ALA 45 4.110 -5.277 0.327 278 1HB ALA 45 HB1 ALA 45 2.060 -3.241 -0.775 279 2HB ALA 45 HB2 ALA 45 3.284 -2.811 0.391 280 3HB ALA 45 HB3 ALA 45 2.019 -3.936 0.821 281 H MET 46 HN MET 46 2.687 -5.147 -2.902 282 HA MET 46 HA MET 46 1.026 -7.355 -2.247 283 1HB MET 46 HB2 MET 46 0.487 -7.627 -4.584 284 2HB MET 46 HB1 MET 46 0.484 -5.928 -4.155 285 1HG MET 46 HG2 MET 46 2.530 -5.545 -5.454 286 2HG MET 46 HG1 MET 46 2.834 -7.285 -5.560 287 1HE MET 46 HE1 MET 46 -0.517 -5.235 -6.222 288 2HE MET 46 HE2 MET 46 -0.262 -4.876 -7.937 289 3HE MET 46 HE3 MET 46 0.824 -4.199 -6.724 290 H ASP 47 HN ASP 47 4.302 -7.113 -3.508 291 HA ASP 47 HA ASP 47 4.997 -9.750 -4.200 292 1HB ASP 47 HB2 ASP 47 6.446 -7.422 -4.045 293 2HB ASP 47 HB1 ASP 47 6.742 -8.135 -2.526 294 H LYS 48 HN LYS 48 4.851 -8.078 -1.293 295 HA LYS 48 HA LYS 48 6.032 -9.847 0.512 296 1HB LYS 48 HB2 LYS 48 4.842 -7.365 0.521 297 2HB LYS 48 HB1 LYS 48 3.988 -8.310 1.707 298 1HG LYS 48 HG2 LYS 48 6.047 -6.962 2.515 299 2HG LYS 48 HG1 LYS 48 5.813 -8.597 3.122 300 1HD LYS 48 HD2 LYS 48 8.141 -8.179 2.579 301 2HD LYS 48 HD1 LYS 48 7.525 -9.397 1.527 302 1HE LYS 48 HE2 LYS 48 7.274 -7.738 -0.315 303 2HE LYS 48 HE1 LYS 48 7.922 -6.465 0.698 304 1HZ LYS 48 HZ1 LYS 48 9.276 -8.945 -0.167 305 2HZ LYS 48 HZ2 LYS 48 9.969 -7.856 0.905 306 3HZ LYS 48 HZ3 LYS 48 9.647 -7.397 -0.691 307 H HIS 49 HN HIS 49 3.002 -9.952 -0.882 308 HA HIS 49 HA HIS 49 2.125 -12.024 1.040 309 1HB HIS 49 HB2 HIS 49 0.606 -10.904 -1.343 310 2HB HIS 49 HB1 HIS 49 0.097 -12.222 -0.298 311 HD2 HIS 49 HD2 HIS 49 1.231 -8.540 0.701 312 HE1 HIS 49 HE1 HIS 49 -2.268 -9.650 2.821 313 HE2 HIS 49 HE2 HIS 49 -0.805 -7.748 2.085 314 H ASN 50 HN ASN 50 4.241 -12.005 -1.186 315 HA ASN 50 HA ASN 50 5.319 -13.368 -2.472 316 1HB ASN 50 HB2 ASN 50 4.900 -15.001 -0.598 317 2HB ASN 50 HB1 ASN 50 3.509 -15.587 -1.501 318 1HD2 ASN 50 HD21 ASN 50 6.645 -14.648 -2.906 319 2HD2 ASN 50 HD22 ASN 50 7.063 -16.208 -3.460 320 H LEU 51 HN LEU 51 2.525 -12.273 -3.159 321 HA LEU 51 HA LEU 51 2.188 -13.874 -5.517 322 1HB LEU 51 HB2 LEU 51 0.101 -12.336 -5.928 323 2HB LEU 51 HB1 LEU 51 -0.013 -13.675 -4.800 324 HG LEU 51 HG LEU 51 0.421 -11.887 -3.075 325 1HD1 LEU 51 HD11 LEU 51 -0.642 -10.187 -5.433 326 2HD1 LEU 51 HD12 LEU 51 0.947 -9.935 -4.798 327 3HD1 LEU 51 HD13 LEU 51 -0.471 -9.520 -3.836 328 1HD2 LEU 51 HD21 LEU 51 -2.146 -12.058 -4.641 329 2HD2 LEU 51 HD22 LEU 51 -2.031 -11.348 -3.037 330 3HD2 LEU 51 HD23 LEU 51 -1.650 -13.054 -3.274 331 H GLU 52 HN GLU 52 4.150 -13.320 -6.028 332 HA GLU 52 HA GLU 52 4.998 -10.836 -7.052 333 1HB GLU 52 HB2 GLU 52 5.923 -13.612 -7.741 334 2HB GLU 52 HB1 GLU 52 6.799 -12.122 -8.061 335 1HG GLU 52 HG2 GLU 52 7.100 -11.720 -5.729 336 2HG GLU 52 HG1 GLU 52 6.038 -13.064 -5.312 337 H GLU 53 HN GLU 53 3.005 -13.319 -8.324 338 HA GLU 53 HA GLU 53 3.481 -12.590 -11.077 339 1HB GLU 53 HB2 GLU 53 1.613 -14.260 -11.580 340 2HB GLU 53 HB1 GLU 53 3.109 -14.879 -10.908 341 1HG GLU 53 HG2 GLU 53 0.803 -14.217 -9.147 342 2HG GLU 53 HG1 GLU 53 0.852 -15.772 -10.004 343 H GLU 54 HN GLU 54 1.832 -11.118 -8.808 344 HA GLU 54 HA GLU 54 -0.371 -10.287 -10.512 345 1HB GLU 54 HB2 GLU 54 0.367 -9.883 -7.643 346 2HB GLU 54 HB1 GLU 54 -1.003 -9.024 -8.344 347 1HG GLU 54 HG2 GLU 54 -0.632 -12.009 -8.037 348 2HG GLU 54 HG1 GLU 54 -1.673 -11.002 -7.035 349 H GLU 55 HN GLU 55 -0.220 -8.304 -11.549 350 HA GLU 55 HA GLU 55 2.202 -6.829 -10.995 351 1HB GLU 55 HB2 GLU 55 0.447 -7.067 -13.338 352 2HB GLU 55 HB1 GLU 55 1.417 -5.603 -13.186 353 1HG GLU 55 HG2 GLU 55 2.692 -7.015 -14.561 354 2HG GLU 55 HG1 GLU 55 3.387 -7.201 -12.950 355 HA PRO 56 HA PRO 56 0.132 -3.174 -9.280 356 1HB PRO 56 HB2 PRO 56 2.363 -1.939 -10.908 357 2HB PRO 56 HB1 PRO 56 1.889 -1.594 -9.224 358 1HG PRO 56 HG2 PRO 56 3.994 -2.949 -9.775 359 2HG PRO 56 HG1 PRO 56 2.920 -3.575 -8.521 360 1HD PRO 56 HD2 PRO 56 3.209 -4.470 -11.380 361 2HD PRO 56 HD1 PRO 56 3.045 -5.436 -9.892 362 H GLU 57 HN GLU 57 0.602 -3.875 -12.575 363 HA GLU 57 HA GLU 57 -0.798 -1.651 -13.678 364 1HB GLU 57 HB2 GLU 57 -0.477 -4.434 -14.779 365 2HB GLU 57 HB1 GLU 57 -0.982 -3.014 -15.684 366 1HG GLU 57 HG2 GLU 57 1.206 -2.003 -15.268 367 2HG GLU 57 HG1 GLU 57 1.695 -3.465 -14.406 368 H ASP 58 HN ASP 58 -1.753 -4.489 -11.981 369 HA ASP 58 HA ASP 58 -4.517 -4.233 -12.918 370 1HB ASP 58 HB2 ASP 58 -3.234 -6.508 -12.746 371 2HB ASP 58 HB1 ASP 58 -3.456 -6.294 -11.049 372 H TYR 59 HN TYR 59 -2.436 -3.995 -10.086 373 HA TYR 59 HA TYR 59 -4.790 -3.272 -8.439 374 1HB TYR 59 HB2 TYR 59 -2.221 -4.507 -7.564 375 2HB TYR 59 HB1 TYR 59 -3.530 -4.046 -6.503 376 HD1 TYR 59 HD1 TYR 59 -2.701 -6.380 -9.303 377 HD2 TYR 59 HD2 TYR 59 -5.273 -5.559 -5.999 378 HE1 TYR 59 HE1 TYR 59 -3.704 -8.615 -9.509 379 HE2 TYR 59 HE2 TYR 59 -6.236 -7.804 -6.208 380 HH TYR 59 HH TYR 59 -4.831 -10.130 -8.210 381 H GLU 60 HN GLU 60 -4.515 -1.749 -6.831 382 HA GLU 60 HA GLU 60 -2.161 0.043 -6.934 383 1HB GLU 60 HB2 GLU 60 -5.079 0.761 -6.661 384 2HB GLU 60 HB1 GLU 60 -3.753 1.888 -6.430 385 1HG GLU 60 HG2 GLU 60 -4.091 0.398 -8.980 386 2HG GLU 60 HG1 GLU 60 -5.051 1.830 -8.628 387 H LEU 61 HN LEU 61 -2.007 1.248 -4.872 388 HA LEU 61 HA LEU 61 -3.158 -0.271 -2.716 389 1HB LEU 61 HB2 LEU 61 -1.200 -0.861 -2.084 390 2HB LEU 61 HB1 LEU 61 -0.480 -0.000 -3.367 391 HG LEU 61 HG LEU 61 -0.959 1.391 -0.734 392 1HD1 LEU 61 HD11 LEU 61 1.666 0.604 -0.079 393 2HD1 LEU 61 HD12 LEU 61 1.567 -0.460 -1.425 394 3HD1 LEU 61 HD13 LEU 61 0.552 -0.705 -0.100 395 1HD2 LEU 61 HD21 LEU 61 -0.275 2.750 -2.788 396 2HD2 LEU 61 HD22 LEU 61 1.341 2.129 -2.784 397 3HD2 LEU 61 HD23 LEU 61 0.706 3.027 -1.443 398 H LEU 62 HN LEU 62 -4.195 0.581 -1.073 399 HA LEU 62 HA LEU 62 -4.997 3.426 -1.473 400 1HB LEU 62 HB2 LEU 62 -6.391 1.338 -2.218 401 2HB LEU 62 HB1 LEU 62 -6.676 1.120 -0.540 402 HG LEU 62 HG LEU 62 -7.567 3.606 -2.014 403 1HD1 LEU 62 HD11 LEU 62 -8.826 1.820 -2.934 404 2HD1 LEU 62 HD12 LEU 62 -9.842 2.675 -1.794 405 3HD1 LEU 62 HD13 LEU 62 -9.140 1.130 -1.334 406 1HD2 LEU 62 HD21 LEU 62 -9.049 3.967 0.048 407 2HD2 LEU 62 HD22 LEU 62 -7.372 3.891 0.582 408 3HD2 LEU 62 HD23 LEU 62 -8.395 2.496 0.693 409 H GLN 63 HN GLN 63 -4.788 4.690 0.526 410 HA GLN 63 HA GLN 63 -4.472 3.362 3.072 411 1HB GLN 63 HB2 GLN 63 -4.135 6.066 2.062 412 2HB GLN 63 HB1 GLN 63 -4.519 5.958 3.791 413 1HG GLN 63 HG2 GLN 63 -2.614 4.222 3.744 414 2HG GLN 63 HG1 GLN 63 -2.178 4.985 2.259 415 1HE2 GLN 63 HE21 GLN 63 -3.003 7.784 3.419 416 2HE2 GLN 63 HE22 GLN 63 -1.576 8.166 4.283 417 H ILE 64 HN ILE 64 -5.646 3.513 4.704 418 HA ILE 64 HA ILE 64 -8.366 4.511 4.405 419 HB ILE 64 HB ILE 64 -7.372 1.851 5.417 420 1HG1 ILE 64 HG12 ILE 64 -9.270 2.308 3.051 421 2HG1 ILE 64 HG11 ILE 64 -7.540 2.378 2.993 422 1HG2 ILE 64 HG21 ILE 64 -10.373 2.830 5.476 423 2HG2 ILE 64 HG22 ILE 64 -9.436 2.514 6.897 424 3HG2 ILE 64 HG23 ILE 64 -9.879 1.209 5.853 425 1HD1 ILE 64 HD11 ILE 64 -7.259 0.290 3.598 426 2HD1 ILE 64 HD12 ILE 64 -8.520 0.271 2.349 427 3HD1 ILE 64 HD13 ILE 64 -8.944 0.012 4.062 428 H LEU 65 HN LEU 65 -9.087 5.598 6.228 429 HA LEU 65 HA LEU 65 -7.341 5.595 8.537 430 1HB LEU 65 HB2 LEU 65 -8.978 7.783 7.278 431 2HB LEU 65 HB1 LEU 65 -8.353 7.852 8.866 432 HG LEU 65 HG LEU 65 -6.051 7.746 8.095 433 1HD1 LEU 65 HD11 LEU 65 -7.058 8.039 5.082 434 2HD1 LEU 65 HD12 LEU 65 -6.176 6.708 5.737 435 3HD1 LEU 65 HD13 LEU 65 -5.399 8.175 5.524 436 1HD2 LEU 65 HD21 LEU 65 -7.638 10.264 7.089 437 2HD2 LEU 65 HD22 LEU 65 -5.943 10.360 7.436 438 3HD2 LEU 65 HD23 LEU 65 -7.051 10.035 8.681 439 H SER 66 HN SER 66 -10.425 7.023 7.777 440 HA SER 66 HA SER 66 -11.794 5.276 9.675 441 1HB SER 66 HB2 SER 66 -13.331 7.268 9.838 442 2HB SER 66 HB1 SER 66 -11.698 7.587 10.427 443 HG SER 66 HG SER 66 -13.014 8.923 8.656 444 H ASP 67 HN ASP 67 -14.332 5.485 8.867 445 HA ASP 67 HA ASP 67 -14.130 4.903 6.049 446 1HB ASP 67 HB2 ASP 67 -15.407 3.272 7.434 447 2HB ASP 67 HB1 ASP 67 -16.631 4.522 7.699 448 H ASP 68 HN ASP 68 -13.648 7.167 5.742 449 HA ASP 68 HA ASP 68 -15.643 8.497 4.442 450 1HB ASP 68 HB2 ASP 68 -16.007 10.537 5.772 451 2HB ASP 68 HB1 ASP 68 -16.495 9.168 6.750 452 H ARG 69 HN ARG 69 -12.732 9.256 6.416 453 HA ARG 69 HA ARG 69 -11.514 10.547 4.174 454 1HB ARG 69 HB2 ARG 69 -10.281 9.604 6.784 455 2HB ARG 69 HB1 ARG 69 -9.564 10.697 5.587 456 1HG ARG 69 HG2 ARG 69 -12.039 11.324 7.147 457 2HG ARG 69 HG1 ARG 69 -10.411 11.819 7.618 458 1HD ARG 69 HD2 ARG 69 -11.653 12.434 4.978 459 2HD ARG 69 HD1 ARG 69 -11.737 13.552 6.359 460 HE ARG 69 HE ARG 69 -9.189 12.640 5.166 461 1HH1 ARG 69 HH11 ARG 69 -11.308 15.324 6.139 462 2HH1 ARG 69 HH12 ARG 69 -10.156 16.526 5.840 463 1HH2 ARG 69 HH21 ARG 69 -7.637 14.301 4.667 464 2HH2 ARG 69 HH22 ARG 69 -8.007 15.936 4.935 465 H LYS 70 HN LYS 70 -10.665 9.410 2.544 466 HA LYS 70 HA LYS 70 -9.232 6.915 3.054 467 1HB LYS 70 HB2 LYS 70 -11.864 6.829 2.176 468 2HB LYS 70 HB1 LYS 70 -10.914 6.908 0.690 469 1HG LYS 70 HG2 LYS 70 -10.959 4.643 0.923 470 2HG LYS 70 HG1 LYS 70 -9.526 5.073 1.780 471 1HD LYS 70 HD2 LYS 70 -10.748 3.467 3.160 472 2HD LYS 70 HD1 LYS 70 -10.626 5.025 3.950 473 1HE LYS 70 HE2 LYS 70 -12.930 5.528 3.477 474 2HE LYS 70 HE1 LYS 70 -13.170 4.100 2.489 475 1HZ LYS 70 HZ1 LYS 70 -14.069 3.712 4.622 476 2HZ LYS 70 HZ2 LYS 70 -12.634 4.145 5.410 477 3HZ LYS 70 HZ3 LYS 70 -12.702 2.757 4.471 478 H LEU 71 HN LEU 71 -7.741 6.516 1.345 479 HA LEU 71 HA LEU 71 -7.318 8.756 -0.540 480 1HB LEU 71 HB2 LEU 71 -5.349 7.695 1.429 481 2HB LEU 71 HB1 LEU 71 -4.934 8.855 0.210 482 HG LEU 71 HG LEU 71 -6.823 9.250 2.554 483 1HD1 LEU 71 HD11 LEU 71 -4.067 10.344 2.042 484 2HD1 LEU 71 HD12 LEU 71 -4.519 9.131 3.243 485 3HD1 LEU 71 HD13 LEU 71 -5.103 10.793 3.396 486 1HD2 LEU 71 HD21 LEU 71 -6.912 11.598 1.994 487 2HD2 LEU 71 HD22 LEU 71 -7.524 10.668 0.645 488 3HD2 LEU 71 HD23 LEU 71 -5.913 11.392 0.572 489 H LYS 72 HN LYS 72 -6.533 7.939 -2.495 490 HA LYS 72 HA LYS 72 -5.460 5.239 -2.440 491 1HB LYS 72 HB2 LYS 72 -6.265 6.996 -4.762 492 2HB LYS 72 HB1 LYS 72 -5.377 5.501 -4.980 493 1HG LYS 72 HG2 LYS 72 -7.548 4.852 -5.391 494 2HG LYS 72 HG1 LYS 72 -7.238 4.390 -3.724 495 1HD LYS 72 HD2 LYS 72 -8.379 6.403 -2.869 496 2HD LYS 72 HD1 LYS 72 -8.703 6.930 -4.516 497 1HE LYS 72 HE2 LYS 72 -10.281 5.105 -4.854 498 2HE LYS 72 HE1 LYS 72 -9.825 4.390 -3.295 499 1HZ LYS 72 HZ1 LYS 72 -10.730 6.429 -2.280 500 2HZ LYS 72 HZ2 LYS 72 -11.876 5.556 -3.112 501 3HZ LYS 72 HZ3 LYS 72 -11.222 6.956 -3.802 502 H ILE 73 HN ILE 73 -3.346 4.772 -2.990 503 HA ILE 73 HA ILE 73 -1.605 7.133 -3.015 504 HB ILE 73 HB ILE 73 -1.085 4.259 -2.264 505 1HG1 ILE 73 HG12 ILE 73 -2.593 4.972 -0.702 506 2HG1 ILE 73 HG11 ILE 73 -1.080 4.825 0.090 507 1HG2 ILE 73 HG21 ILE 73 0.826 6.725 -1.779 508 2HG2 ILE 73 HG22 ILE 73 1.141 5.421 -2.842 509 3HG2 ILE 73 HG23 ILE 73 1.126 5.144 -1.131 510 1HD1 ILE 73 HD11 ILE 73 -2.308 6.950 1.050 511 2HD1 ILE 73 HD12 ILE 73 -2.507 7.630 -0.481 512 3HD1 ILE 73 HD13 ILE 73 -0.926 7.544 0.218 513 HA PRO 74 HA PRO 74 -0.863 5.526 -7.133 514 1HB PRO 74 HB2 PRO 74 -0.812 7.779 -8.397 515 2HB PRO 74 HB1 PRO 74 -2.266 7.361 -7.501 516 1HG PRO 74 HG2 PRO 74 -0.069 9.220 -6.668 517 2HG PRO 74 HG1 PRO 74 -1.817 9.468 -6.573 518 1HD PRO 74 HD2 PRO 74 -0.227 8.474 -4.460 519 2HD PRO 74 HD1 PRO 74 -1.992 8.339 -4.599 520 H GLU 75 HN GLU 75 0.742 6.660 -8.916 521 HA GLU 75 HA GLU 75 3.325 5.768 -8.216 522 1HB GLU 75 HB2 GLU 75 2.734 7.462 -10.610 523 2HB GLU 75 HB1 GLU 75 3.963 6.296 -10.342 524 1HG GLU 75 HG2 GLU 75 1.082 5.412 -10.435 525 2HG GLU 75 HG1 GLU 75 2.101 5.550 -11.867 526 H ASN 76 HN ASN 76 1.898 9.010 -8.315 527 HA ASN 76 HA ASN 76 4.489 10.292 -8.459 528 1HB ASN 76 HB2 ASN 76 2.582 11.114 -9.795 529 2HB ASN 76 HB1 ASN 76 1.717 11.482 -8.312 530 1HD2 ASN 76 HD21 ASN 76 5.167 12.089 -8.989 531 2HD2 ASN 76 HD22 ASN 76 5.033 13.796 -8.848 532 H ALA 77 HN ALA 77 2.593 9.162 -5.966 533 HA ALA 77 HA ALA 77 3.497 11.381 -4.285 534 1HB ALA 77 HB1 ALA 77 0.899 10.964 -4.209 535 2HB ALA 77 HB2 ALA 77 1.637 10.898 -2.635 536 3HB ALA 77 HB3 ALA 77 1.263 9.428 -3.459 537 H ASN 78 HN ASN 78 4.847 11.112 -2.767 538 HA ASN 78 HA ASN 78 6.273 8.586 -2.605 539 1HB ASN 78 HB2 ASN 78 6.832 11.274 -1.232 540 2HB ASN 78 HB1 ASN 78 7.752 9.875 -0.856 541 1HD2 ASN 78 HD21 ASN 78 6.645 10.112 -4.078 542 2HD2 ASN 78 HD22 ASN 78 8.125 10.601 -4.797 543 H VAL 79 HN VAL 79 6.498 7.290 -0.576 544 HA VAL 79 HA VAL 79 3.966 7.136 0.723 545 HB VAL 79 HB VAL 79 6.601 5.862 1.465 546 1HG1 VAL 79 HG11 VAL 79 4.992 5.831 3.542 547 2HG1 VAL 79 HG12 VAL 79 5.175 4.189 2.956 548 3HG1 VAL 79 HG13 VAL 79 3.766 5.076 2.542 549 1HG2 VAL 79 HG21 VAL 79 5.729 4.821 -0.731 550 2HG2 VAL 79 HG22 VAL 79 4.195 4.510 0.048 551 3HG2 VAL 79 HG23 VAL 79 5.575 3.660 0.576 552 H PHE 80 HN PHE 80 7.026 8.415 1.605 553 HA PHE 80 HA PHE 80 6.340 8.951 4.330 554 1HB PHE 80 HB2 PHE 80 8.574 9.535 2.566 555 2HB PHE 80 HB1 PHE 80 8.257 10.785 3.720 556 HD1 PHE 80 HD1 PHE 80 8.376 6.916 3.726 557 HD2 PHE 80 HD2 PHE 80 9.554 10.501 5.958 558 HE1 PHE 80 HE1 PHE 80 9.421 5.600 5.391 559 HE2 PHE 80 HE2 PHE 80 10.574 9.102 7.556 560 HZ PHE 80 HZ PHE 80 10.526 6.614 7.318 561 H TYR 81 HN TYR 81 5.503 10.451 1.484 562 HA TYR 81 HA TYR 81 4.872 12.965 2.798 563 1HB TYR 81 HB2 TYR 81 5.375 12.025 0.119 564 2HB TYR 81 HB1 TYR 81 4.471 13.503 0.234 565 HD1 TYR 81 HD1 TYR 81 8.110 12.176 0.340 566 HD2 TYR 81 HD2 TYR 81 5.590 15.569 1.587 567 HE1 TYR 81 HE1 TYR 81 9.983 13.534 0.668 568 HE2 TYR 81 HE2 TYR 81 7.583 16.826 1.874 569 HH TYR 81 HH TYR 81 10.565 15.930 0.664 570 H ALA 82 HN ALA 82 3.448 10.192 1.194 571 HA ALA 82 HA ALA 82 0.841 11.483 1.142 572 1HB ALA 82 HB1 ALA 82 1.581 8.677 0.184 573 2HB ALA 82 HB2 ALA 82 1.640 10.036 -0.868 574 3HB ALA 82 HB3 ALA 82 0.092 9.478 -0.239 575 H MET 83 HN MET 83 2.557 9.283 3.211 576 HA MET 83 HA MET 83 0.120 8.183 4.142 577 1HB MET 83 HB2 MET 83 1.312 6.877 5.715 578 2HB MET 83 HB1 MET 83 2.154 6.885 4.190 579 1HG MET 83 HG2 MET 83 3.952 7.135 5.644 580 2HG MET 83 HG1 MET 83 3.530 8.834 5.449 581 1HE MET 83 HE1 MET 83 2.344 6.228 9.062 582 2HE MET 83 HE2 MET 83 3.411 5.703 7.762 583 3HE MET 83 HE3 MET 83 1.702 5.949 7.440 584 H ASN 84 HN ASN 84 -0.760 8.364 6.178 585 HA ASN 84 HA ASN 84 -1.121 11.173 6.550 586 1HB ASN 84 HB2 ASN 84 -3.060 10.527 7.810 587 2HB ASN 84 HB1 ASN 84 -3.081 9.977 6.178 588 1HD2 ASN 84 HD21 ASN 84 -2.392 7.187 6.033 589 2HD2 ASN 84 HD22 ASN 84 -2.900 6.431 7.448 590 H SER 85 HN SER 85 -0.244 8.495 8.588 591 HA SER 85 HA SER 85 0.691 8.296 10.754 592 1HB SER 85 HB2 SER 85 2.348 10.052 11.448 593 2HB SER 85 HB1 SER 85 2.635 9.384 9.849 594 HG SER 85 HG SER 85 1.117 11.426 9.442 595 H THR 86 HN THR 86 -1.196 11.255 10.516 596 HA THR 86 HA THR 86 -1.436 11.457 13.390 597 HB THR 86 HB THR 86 -2.986 12.977 11.268 598 HG1 THR 86 HG1 THR 86 -0.997 14.446 11.582 599 1HG2 THR 86 HG21 THR 86 -2.864 14.860 13.055 600 2HG2 THR 86 HG22 THR 86 -1.863 13.813 14.007 601 3HG2 THR 86 HG23 THR 86 -3.536 13.410 13.813 602 H ALA 87 HN ALA 87 -2.516 9.111 11.792 603 HA ALA 87 HA ALA 87 -4.989 8.715 13.145 604 1HB ALA 87 HB1 ALA 87 -5.727 10.068 11.129 605 2HB ALA 87 HB2 ALA 87 -6.458 8.508 11.109 606 3HB ALA 87 HB3 ALA 87 -5.090 8.837 10.059 607 H ASN 88 HN ASN 88 -5.687 6.284 12.632 608 HA ASN 88 HA ASN 88 -3.506 4.665 12.665 609 1HB ASN 88 HB2 ASN 88 -4.980 2.736 12.310 610 2HB ASN 88 HB1 ASN 88 -5.751 3.892 13.370 611 1HD2 ASN 88 HD21 ASN 88 -6.519 5.580 10.981 612 2HD2 ASN 88 HD22 ASN 88 -7.859 4.706 10.315 613 H TYR 89 HN TYR 89 -2.725 3.070 11.074 614 HA TYR 89 HA TYR 89 -2.627 4.401 8.507 615 1HB TYR 89 HB2 TYR 89 -0.242 3.379 8.432 616 2HB TYR 89 HB1 TYR 89 -0.577 4.890 9.169 617 HD1 TYR 89 HD1 TYR 89 0.620 5.152 11.680 618 HD2 TYR 89 HD2 TYR 89 -0.449 1.084 10.222 619 HE1 TYR 89 HE1 TYR 89 1.524 4.152 13.544 620 HE2 TYR 89 HE2 TYR 89 0.545 0.248 12.194 621 HH TYR 89 HH TYR 89 1.331 2.163 14.850 622 H ASP 90 HN ASP 90 -4.230 3.179 7.546 623 HA ASP 90 HA ASP 90 -3.520 0.332 7.292 624 1HB ASP 90 HB2 ASP 90 -6.341 1.561 7.287 625 2HB ASP 90 HB1 ASP 90 -6.035 0.005 6.609 626 H PHE 91 HN PHE 91 -3.411 -0.627 5.249 627 HA PHE 91 HA PHE 91 -4.170 1.004 2.962 628 1HB PHE 91 HB2 PHE 91 -1.577 -0.533 3.192 629 2HB PHE 91 HB1 PHE 91 -2.146 0.208 1.716 630 HD1 PHE 91 HD1 PHE 91 -1.287 1.220 5.206 631 HD2 PHE 91 HD2 PHE 91 -1.004 2.116 1.087 632 HE1 PHE 91 HE1 PHE 91 0.247 2.957 5.719 633 HE2 PHE 91 HE2 PHE 91 0.634 3.904 1.599 634 HZ PHE 91 HZ PHE 91 1.240 4.346 3.963 635 H VAL 92 HN VAL 92 -4.937 -0.264 1.335 636 HA VAL 92 HA VAL 92 -4.900 -3.189 1.638 637 HB VAL 92 HB VAL 92 -7.187 -1.318 0.959 638 1HG1 VAL 92 HG11 VAL 92 -8.672 -3.394 0.497 639 2HG1 VAL 92 HG12 VAL 92 -7.331 -4.421 0.732 640 3HG1 VAL 92 HG13 VAL 92 -7.392 -3.367 -0.699 641 1HG2 VAL 92 HG21 VAL 92 -6.916 -1.761 3.289 642 2HG2 VAL 92 HG22 VAL 92 -6.958 -3.501 3.008 643 3HG2 VAL 92 HG23 VAL 92 -8.402 -2.528 2.731 644 H LEU 93 HN LEU 93 -4.410 -4.204 -0.372 645 HA LEU 93 HA LEU 93 -3.964 -2.302 -2.519 646 1HB LEU 93 HB2 LEU 93 -2.069 -3.675 -1.917 647 2HB LEU 93 HB1 LEU 93 -2.906 -5.171 -1.956 648 HG LEU 93 HG LEU 93 -3.154 -4.099 -4.462 649 1HD1 LEU 93 HD11 LEU 93 -1.198 -2.505 -3.925 650 2HD1 LEU 93 HD12 LEU 93 -0.486 -3.714 -4.934 651 3HD1 LEU 93 HD13 LEU 93 -0.269 -3.762 -3.221 652 1HD2 LEU 93 HD21 LEU 93 -1.428 -6.450 -3.287 653 2HD2 LEU 93 HD22 LEU 93 -1.875 -6.420 -4.958 654 3HD2 LEU 93 HD23 LEU 93 -3.065 -6.570 -3.722 655 H LYS 94 HN LYS 94 -5.492 -2.177 -4.137 656 HA LYS 94 HA LYS 94 -7.583 -4.087 -4.102 657 1HB LYS 94 HB2 LYS 94 -8.571 -2.010 -4.995 658 2HB LYS 94 HB1 LYS 94 -8.616 -2.182 -3.206 659 1HG LYS 94 HG2 LYS 94 -7.990 0.101 -3.522 660 2HG LYS 94 HG1 LYS 94 -6.420 -0.637 -3.720 661 1HD LYS 94 HD2 LYS 94 -6.705 0.894 -5.486 662 2HD LYS 94 HD1 LYS 94 -6.821 -0.716 -6.200 663 1HE LYS 94 HE2 LYS 94 -9.109 1.231 -5.635 664 2HE LYS 94 HE1 LYS 94 -8.439 0.812 -7.189 665 1HZ LYS 94 HZ1 LYS 94 -10.530 -0.250 -6.784 666 2HZ LYS 94 HZ2 LYS 94 -10.003 -1.025 -5.437 667 3HZ LYS 94 HZ3 LYS 94 -9.371 -1.436 -6.966 668 H LYS 95 HN LYS 95 -8.581 -4.452 -6.082 669 HA LYS 95 HA LYS 95 -6.792 -4.468 -8.361 670 1HB LYS 95 HB2 LYS 95 -8.457 -6.316 -7.543 671 2HB LYS 95 HB1 LYS 95 -9.654 -5.292 -8.258 672 1HG LYS 95 HG2 LYS 95 -8.772 -5.508 -10.405 673 2HG LYS 95 HG1 LYS 95 -7.345 -6.398 -9.885 674 1HD LYS 95 HD2 LYS 95 -8.954 -8.121 -8.911 675 2HD LYS 95 HD1 LYS 95 -10.241 -7.259 -9.750 676 1HE LYS 95 HE2 LYS 95 -9.550 -9.168 -11.041 677 2HE LYS 95 HE1 LYS 95 -9.082 -7.710 -11.901 678 1HZ LYS 95 HZ1 LYS 95 -7.322 -9.328 -11.934 679 2HZ LYS 95 HZ2 LYS 95 -7.274 -9.417 -10.255 680 3HZ LYS 95 HZ3 LYS 95 -6.840 -7.982 -11.046 681 H ARG 96 HN ARG 96 -6.934 -3.212 -10.104 682 HA ARG 96 HA ARG 96 -9.007 -1.170 -10.294 683 1HB ARG 96 HB2 ARG 96 -6.646 -1.657 -12.152 684 2HB ARG 96 HB1 ARG 96 -7.604 -0.206 -12.088 685 1HG ARG 96 HG2 ARG 96 -6.833 0.027 -9.773 686 2HG ARG 96 HG1 ARG 96 -5.577 -1.144 -10.188 687 1HD ARG 96 HD2 ARG 96 -6.119 1.463 -11.640 688 2HD ARG 96 HD1 ARG 96 -4.720 1.146 -10.641 689 HE ARG 96 HE ARG 96 -5.259 -0.349 -13.106 690 1HH1 ARG 96 HH11 ARG 96 -2.820 1.273 -11.004 691 2HH1 ARG 96 HH12 ARG 96 -1.697 1.430 -12.239 692 1HH2 ARG 96 HH21 ARG 96 -3.582 -0.084 -14.790 693 2HH2 ARG 96 HH22 ARG 96 -2.117 0.675 -14.419 694 H THR 97 HN THR 97 -7.473 -3.754 -12.097 695 HA THR 97 HA THR 97 -8.098 -5.217 -13.531 696 HB THR 97 HB THR 97 -10.864 -3.947 -13.443 697 HG1 THR 97 HG1 THR 97 -10.411 -4.978 -11.621 698 1HG2 THR 97 HG21 THR 97 -10.204 -6.649 -14.875 699 2HG2 THR 97 HG22 THR 97 -10.583 -5.208 -15.755 700 3HG2 THR 97 HG23 THR 97 -11.794 -5.968 -14.760 Start of MODEL 4 1 1H ASP 11 HT1 ASP 11 15.410 8.992 7.907 2 2H ASP 11 HT2 ASP 11 14.844 8.073 6.609 3 3H ASP 11 HT3 ASP 11 15.427 7.298 7.980 4 HA ASP 11 HA ASP 11 13.642 8.234 9.285 5 1HB ASP 11 HB2 ASP 11 13.419 10.173 7.523 6 2HB ASP 11 HB1 ASP 11 12.376 9.046 6.667 7 H CYS 12 HN CYS 12 11.685 6.829 9.451 8 HA CYS 12 HA CYS 12 11.199 4.947 7.416 9 1HB CYS 12 HB2 CYS 12 11.802 2.980 9.012 10 2HB CYS 12 HB1 CYS 12 13.158 3.843 8.285 11 HG CYS 12 HG CYS 12 14.320 4.065 10.493 12 H CYS 13 HN CYS 13 9.415 3.543 8.161 13 HA CYS 13 HA CYS 13 8.022 4.369 10.547 14 1HB CYS 13 HB2 CYS 13 7.377 6.088 8.877 15 2HB CYS 13 HB1 CYS 13 6.782 4.820 7.810 16 HG CYS 13 HG CYS 13 5.327 6.392 10.285 17 H ILE 14 HN ILE 14 6.082 3.059 10.840 18 HA ILE 14 HA ILE 14 6.440 0.361 9.724 19 HB ILE 14 HB ILE 14 5.144 1.297 12.277 20 1HG1 ILE 14 HG12 ILE 14 7.429 1.720 12.495 21 2HG1 ILE 14 HG11 ILE 14 7.072 0.354 13.492 22 1HG2 ILE 14 HG21 ILE 14 6.001 -1.521 11.343 23 2HG2 ILE 14 HG22 ILE 14 4.337 -1.044 11.378 24 3HG2 ILE 14 HG23 ILE 14 5.224 -1.278 12.886 25 1HD1 ILE 14 HD11 ILE 14 8.440 0.094 10.685 26 2HD1 ILE 14 HD12 ILE 14 8.025 -1.265 11.638 27 3HD1 ILE 14 HD13 ILE 14 9.303 -0.211 12.176 28 H ILE 15 HN ILE 15 4.754 -0.295 8.423 29 HA ILE 15 HA ILE 15 2.193 1.200 8.563 30 HB ILE 15 HB ILE 15 2.069 1.176 6.200 31 1HG1 ILE 15 HG12 ILE 15 4.757 -0.275 6.250 32 2HG1 ILE 15 HG11 ILE 15 3.250 -0.959 5.989 33 1HG2 ILE 15 HG21 ILE 15 4.066 3.072 5.691 34 2HG2 ILE 15 HG22 ILE 15 4.842 2.504 7.121 35 3HG2 ILE 15 HG23 ILE 15 3.379 3.276 7.246 36 1HD1 ILE 15 HD11 ILE 15 4.695 0.781 3.744 37 2HD1 ILE 15 HD12 ILE 15 3.053 0.299 3.612 38 3HD1 ILE 15 HD13 ILE 15 4.274 -0.889 3.652 39 H ARG 16 HN ARG 16 0.381 0.100 7.711 40 HA ARG 16 HA ARG 16 0.701 -2.782 8.140 41 1HB ARG 16 HB2 ARG 16 -0.520 -1.246 9.845 42 2HB ARG 16 HB1 ARG 16 -1.734 -1.157 8.667 43 1HG ARG 16 HG2 ARG 16 -0.875 -3.913 9.355 44 2HG ARG 16 HG1 ARG 16 -1.746 -3.051 10.593 45 1HD ARG 16 HD2 ARG 16 -2.696 -3.597 7.812 46 2HD ARG 16 HD1 ARG 16 -3.197 -4.443 9.270 47 HE ARG 16 HE ARG 16 -4.325 -2.198 8.200 48 1HH1 ARG 16 HH11 ARG 16 -3.118 -2.829 11.590 49 2HH1 ARG 16 HH12 ARG 16 -4.363 -1.940 12.276 50 1HH2 ARG 16 HH21 ARG 16 -6.008 -1.054 9.304 51 2HH2 ARG 16 HH22 ARG 16 -6.025 -0.907 11.023 52 H VAL 17 HN VAL 17 -0.554 -4.197 6.824 53 HA VAL 17 HA VAL 17 -1.664 -2.841 4.530 54 HB VAL 17 HB VAL 17 0.051 -5.304 4.428 55 1HG1 VAL 17 HG11 VAL 17 0.114 -5.066 1.828 56 2HG1 VAL 17 HG12 VAL 17 -0.832 -3.652 1.917 57 3HG1 VAL 17 HG13 VAL 17 -1.560 -5.187 2.344 58 1HG2 VAL 17 HG21 VAL 17 1.023 -2.571 3.320 59 2HG2 VAL 17 HG22 VAL 17 1.975 -3.990 3.340 60 3HG2 VAL 17 HG23 VAL 17 1.585 -3.211 4.839 61 H SER 18 HN SER 18 -3.443 -3.881 3.556 62 HA SER 18 HA SER 18 -4.220 -6.572 4.370 63 1HB SER 18 HB2 SER 18 -6.656 -5.582 4.788 64 2HB SER 18 HB1 SER 18 -5.505 -4.997 5.966 65 HG SER 18 HG SER 18 -5.219 -3.181 4.501 66 H LEU 19 HN LEU 19 -5.813 -7.605 2.851 67 HA LEU 19 HA LEU 19 -5.196 -6.745 0.129 68 1HB LEU 19 HB2 LEU 19 -6.330 -9.378 1.143 69 2HB LEU 19 HB1 LEU 19 -6.066 -8.871 -0.526 70 HG LEU 19 HG LEU 19 -3.823 -9.118 1.499 71 1HD1 LEU 19 HD11 LEU 19 -4.663 -11.549 -0.411 72 2HD1 LEU 19 HD12 LEU 19 -4.949 -11.473 1.253 73 3HD1 LEU 19 HD13 LEU 19 -3.343 -11.583 0.723 74 1HD2 LEU 19 HD21 LEU 19 -2.322 -9.126 -0.748 75 2HD2 LEU 19 HD22 LEU 19 -3.277 -7.712 -0.544 76 3HD2 LEU 19 HD23 LEU 19 -3.825 -8.906 -1.623 77 H ASP 20 HN ASP 20 -6.863 -6.694 -1.445 78 HA ASP 20 HA ASP 20 -9.461 -5.830 -0.582 79 1HB ASP 20 HB2 ASP 20 -8.491 -5.096 -2.804 80 2HB ASP 20 HB1 ASP 20 -8.664 -6.750 -3.358 81 H VAL 21 HN VAL 21 -8.343 -8.778 -2.143 82 HA VAL 21 HA VAL 21 -10.704 -10.179 -2.383 83 HB VAL 21 HB VAL 21 -8.536 -10.999 -3.185 84 1HG1 VAL 21 HG11 VAL 21 -7.060 -11.188 -0.972 85 2HG1 VAL 21 HG12 VAL 21 -7.279 -12.788 -1.636 86 3HG1 VAL 21 HG13 VAL 21 -8.305 -12.248 -0.366 87 1HG2 VAL 21 HG21 VAL 21 -10.477 -12.332 -3.466 88 2HG2 VAL 21 HG22 VAL 21 -10.334 -13.003 -1.842 89 3HG2 VAL 21 HG23 VAL 21 -9.140 -13.415 -3.072 90 H ASP 22 HN ASP 22 -8.875 -9.963 0.562 91 HA ASP 22 HA ASP 22 -11.314 -10.690 1.986 92 1HB ASP 22 HB2 ASP 22 -9.842 -12.622 2.330 93 2HB ASP 22 HB1 ASP 22 -8.504 -11.558 2.774 94 H ASN 23 HN ASN 23 -11.821 -8.623 2.367 95 HA ASN 23 HA ASN 23 -9.706 -7.168 3.711 96 1HB ASN 23 HB2 ASN 23 -10.700 -6.131 1.599 97 2HB ASN 23 HB1 ASN 23 -12.141 -5.819 2.567 98 1HD2 ASN 23 HD21 ASN 23 -8.757 -5.175 2.264 99 2HD2 ASN 23 HD22 ASN 23 -8.713 -3.713 3.189 100 H GLY 24 HN GLY 24 -10.568 -8.855 5.303 101 1HA GLY 24 HA2 GLY 24 -12.642 -7.697 6.954 102 2HA GLY 24 HA1 GLY 24 -11.717 -9.151 7.318 103 H ASN 25 HN ASN 25 -9.840 -6.542 6.324 104 HA ASN 25 HA ASN 25 -8.469 -5.101 7.152 105 1HB ASN 25 HB2 ASN 25 -10.463 -4.216 8.396 106 2HB ASN 25 HB1 ASN 25 -9.941 -5.170 9.784 107 1HD2 ASN 25 HD21 ASN 25 -9.180 -2.506 7.712 108 2HD2 ASN 25 HD22 ASN 25 -7.986 -1.782 8.683 109 H MET 26 HN MET 26 -6.532 -5.205 7.700 110 HA MET 26 HA MET 26 -4.562 -5.670 8.587 111 1HB MET 26 HB2 MET 26 -5.949 -7.287 10.712 112 2HB MET 26 HB1 MET 26 -4.236 -6.938 10.687 113 1HG MET 26 HG2 MET 26 -4.868 -4.487 10.723 114 2HG MET 26 HG1 MET 26 -6.511 -5.018 11.056 115 1HE MET 26 HE1 MET 26 -2.841 -4.843 12.281 116 2HE MET 26 HE2 MET 26 -3.087 -6.591 12.351 117 3HE MET 26 HE3 MET 26 -2.885 -5.667 13.836 118 H TYR 27 HN TYR 27 -3.027 -6.780 7.822 119 HA TYR 27 HA TYR 27 -3.236 -9.662 7.713 120 1HB TYR 27 HB2 TYR 27 -2.894 -7.868 5.420 121 2HB TYR 27 HB1 TYR 27 -1.695 -9.132 5.471 122 HD1 TYR 27 HD1 TYR 27 -2.478 -11.581 5.219 123 HD2 TYR 27 HD2 TYR 27 -5.207 -8.287 4.862 124 HE1 TYR 27 HE1 TYR 27 -4.094 -13.028 4.148 125 HE2 TYR 27 HE2 TYR 27 -6.821 -9.780 3.787 126 HH TYR 27 HH TYR 27 -6.559 -13.135 3.785 127 H LYS 28 HN LYS 28 -0.793 -7.202 6.750 128 HA LYS 28 HA LYS 28 0.869 -8.176 8.891 129 1HB LYS 28 HB2 LYS 28 2.797 -8.652 7.469 130 2HB LYS 28 HB1 LYS 28 1.410 -9.693 7.180 131 1HG LYS 28 HG2 LYS 28 0.900 -8.403 5.130 132 2HG LYS 28 HG1 LYS 28 2.290 -7.390 5.446 133 1HD LYS 28 HD2 LYS 28 2.835 -9.205 3.816 134 2HD LYS 28 HD1 LYS 28 3.847 -9.235 5.258 135 1HE LYS 28 HE2 LYS 28 2.261 -11.018 6.169 136 2HE LYS 28 HE1 LYS 28 1.530 -11.091 4.573 137 1HZ LYS 28 HZ1 LYS 28 4.360 -11.712 5.220 138 2HZ LYS 28 HZ2 LYS 28 3.701 -11.750 3.676 139 3HZ LYS 28 HZ3 LYS 28 3.153 -12.807 4.832 140 H SER 29 HN SER 29 2.849 -7.022 9.168 141 HA SER 29 HA SER 29 2.463 -4.182 8.617 142 1HB SER 29 HB2 SER 29 2.556 -4.977 10.985 143 2HB SER 29 HB1 SER 29 4.179 -5.588 10.686 144 HG SER 29 HG SER 29 4.949 -3.604 10.631 145 H ILE 30 HN ILE 30 4.170 -3.017 7.595 146 HA ILE 30 HA ILE 30 6.681 -4.434 6.833 147 HB ILE 30 HB ILE 30 5.360 -2.436 5.019 148 1HG1 ILE 30 HG12 ILE 30 3.539 -3.863 5.021 149 2HG1 ILE 30 HG11 ILE 30 4.313 -4.019 3.516 150 1HG2 ILE 30 HG21 ILE 30 7.171 -4.832 4.236 151 2HG2 ILE 30 HG22 ILE 30 7.632 -3.130 4.015 152 3HG2 ILE 30 HG23 ILE 30 6.334 -3.862 3.109 153 1HD1 ILE 30 HD11 ILE 30 5.404 -6.185 4.135 154 2HD1 ILE 30 HD12 ILE 30 3.697 -6.275 4.001 155 3HD1 ILE 30 HD13 ILE 30 4.407 -6.303 5.594 156 H LEU 31 HN LEU 31 8.461 -3.059 6.992 157 HA LEU 31 HA LEU 31 7.800 -0.356 7.833 158 1HB LEU 31 HB2 LEU 31 9.616 -0.239 9.042 159 2HB LEU 31 HB1 LEU 31 9.711 -1.974 8.877 160 HG LEU 31 HG LEU 31 11.217 -0.059 7.077 161 1HD1 LEU 31 HD11 LEU 31 13.360 -0.741 8.465 162 2HD1 LEU 31 HD12 LEU 31 12.348 -1.587 9.563 163 3HD1 LEU 31 HD13 LEU 31 12.277 0.155 9.504 164 1HD2 LEU 31 HD21 LEU 31 11.559 -3.041 7.530 165 2HD2 LEU 31 HD22 LEU 31 12.712 -2.039 6.679 166 3HD2 LEU 31 HD23 LEU 31 11.100 -2.206 6.024 167 H VAL 32 HN VAL 32 8.220 1.468 6.760 168 HA VAL 32 HA VAL 32 9.218 1.052 4.066 169 HB VAL 32 HB VAL 32 6.949 1.794 4.030 170 1HG1 VAL 32 HG11 VAL 32 7.887 4.314 5.535 171 2HG1 VAL 32 HG12 VAL 32 6.839 3.124 6.259 172 3HG1 VAL 32 HG13 VAL 32 6.247 4.168 4.971 173 1HG2 VAL 32 HG21 VAL 32 7.052 4.003 2.615 174 2HG2 VAL 32 HG22 VAL 32 8.205 2.871 2.010 175 3HG2 VAL 32 HG23 VAL 32 8.697 4.169 3.078 176 H THR 33 HN THR 33 11.039 2.074 3.444 177 HA THR 33 HA THR 33 12.271 3.950 5.338 178 HB THR 33 HB THR 33 14.324 3.575 3.788 179 HG1 THR 33 HG1 THR 33 12.656 1.515 2.795 180 1HG2 THR 33 HG21 THR 33 14.440 2.096 5.993 181 2HG2 THR 33 HG22 THR 33 14.937 1.167 4.629 182 3HG2 THR 33 HG23 THR 33 13.355 0.961 5.217 183 H SER 34 HN SER 34 13.455 5.830 4.279 184 HA SER 34 HA SER 34 11.463 7.221 2.724 185 1HB SER 34 HB2 SER 34 12.634 8.643 4.371 186 2HB SER 34 HB1 SER 34 14.199 8.280 3.614 187 HG SER 34 HG SER 34 12.836 9.216 1.708 188 H GLN 35 HN GLN 35 14.205 5.448 1.949 189 HA GLN 35 HA GLN 35 14.773 6.675 -0.566 190 1HB GLN 35 HB2 GLN 35 16.485 5.466 0.700 191 2HB GLN 35 HB1 GLN 35 15.568 3.980 0.545 192 1HG GLN 35 HG2 GLN 35 15.842 4.167 -1.932 193 2HG GLN 35 HG1 GLN 35 16.925 5.523 -1.630 194 1HE2 GLN 35 HE21 GLN 35 16.467 2.107 -1.311 195 2HE2 GLN 35 HE22 GLN 35 18.110 1.701 -1.020 196 H ASP 36 HN ASP 36 12.394 4.437 0.494 197 HA ASP 36 HA ASP 36 12.344 3.256 -2.162 198 1HB ASP 36 HB2 ASP 36 12.382 1.803 -0.001 199 2HB ASP 36 HB1 ASP 36 10.682 2.157 0.123 200 H LYS 37 HN LYS 37 10.785 3.513 -3.533 201 HA LYS 37 HA LYS 37 9.040 5.791 -3.086 202 1HB LYS 37 HB2 LYS 37 9.909 4.278 -5.504 203 2HB LYS 37 HB1 LYS 37 8.626 5.445 -5.652 204 1HG LYS 37 HG2 LYS 37 10.214 7.185 -4.795 205 2HG LYS 37 HG1 LYS 37 11.508 5.996 -4.795 206 1HD LYS 37 HD2 LYS 37 11.122 5.673 -7.195 207 2HD LYS 37 HD1 LYS 37 9.889 6.933 -7.138 208 1HE LYS 37 HE2 LYS 37 12.825 7.239 -6.515 209 2HE LYS 37 HE1 LYS 37 11.939 7.896 -7.891 210 1HZ LYS 37 HZ1 LYS 37 12.272 9.599 -6.253 211 2HZ LYS 37 HZ2 LYS 37 11.609 8.662 -5.051 212 3HZ LYS 37 HZ3 LYS 37 10.627 9.245 -6.300 213 H ALA 38 HN ALA 38 6.851 5.811 -4.052 214 HA ALA 38 HA ALA 38 5.399 3.811 -2.704 215 1HB ALA 38 HB1 ALA 38 3.196 4.909 -3.375 216 2HB ALA 38 HB2 ALA 38 3.969 5.906 -4.536 217 3HB ALA 38 HB3 ALA 38 4.285 6.155 -2.853 218 HA PRO 39 HA PRO 39 4.051 1.854 -6.967 219 1HB PRO 39 HB2 PRO 39 6.177 1.744 -8.736 220 2HB PRO 39 HB1 PRO 39 4.842 2.895 -8.873 221 1HG PRO 39 HG2 PRO 39 7.539 3.278 -7.610 222 2HG PRO 39 HG1 PRO 39 6.672 4.352 -8.731 223 1HD PRO 39 HD2 PRO 39 6.634 4.924 -6.164 224 2HD PRO 39 HD1 PRO 39 5.147 4.969 -7.166 225 H ALA 40 HN ALA 40 7.323 1.982 -5.794 226 HA ALA 40 HA ALA 40 7.741 -0.888 -6.106 227 1HB ALA 40 HB1 ALA 40 9.974 -0.562 -4.950 228 2HB ALA 40 HB2 ALA 40 9.494 0.980 -4.390 229 3HB ALA 40 HB3 ALA 40 9.810 0.760 -6.093 230 H VAL 41 HN VAL 41 6.746 1.201 -3.477 231 HA VAL 41 HA VAL 41 6.687 -0.944 -1.530 232 HB VAL 41 HB VAL 41 4.983 1.552 -1.586 233 1HG1 VAL 41 HG11 VAL 41 5.361 -0.399 0.891 234 2HG1 VAL 41 HG12 VAL 41 3.988 -0.312 -0.085 235 3HG1 VAL 41 HG13 VAL 41 4.316 1.008 0.960 236 1HG2 VAL 41 HG21 VAL 41 6.725 2.603 0.231 237 2HG2 VAL 41 HG22 VAL 41 7.458 2.337 -1.268 238 3HG2 VAL 41 HG23 VAL 41 7.729 1.226 0.002 239 H ILE 42 HN ILE 42 4.527 0.264 -3.807 240 HA ILE 42 HA ILE 42 2.199 -1.251 -3.228 241 HB ILE 42 HB ILE 42 3.226 -0.817 -6.026 242 1HG1 ILE 42 HG12 ILE 42 1.880 1.218 -4.299 243 2HG1 ILE 42 HG11 ILE 42 2.919 1.406 -5.608 244 1HG2 ILE 42 HG21 ILE 42 0.294 -1.326 -5.115 245 2HG2 ILE 42 HG22 ILE 42 1.248 -2.536 -5.886 246 3HG2 ILE 42 HG23 ILE 42 0.714 -1.132 -6.794 247 1HD1 ILE 42 HD11 ILE 42 0.025 0.882 -6.234 248 2HD1 ILE 42 HD12 ILE 42 1.342 1.067 -7.352 249 3HD1 ILE 42 HD13 ILE 42 0.859 2.434 -6.391 250 H ARG 43 HN ARG 43 4.972 -1.971 -5.233 251 HA ARG 43 HA ARG 43 4.361 -4.643 -5.686 252 1HB ARG 43 HB2 ARG 43 6.863 -3.051 -5.985 253 2HB ARG 43 HB1 ARG 43 6.993 -4.724 -6.157 254 1HG ARG 43 HG2 ARG 43 5.021 -3.128 -7.871 255 2HG ARG 43 HG1 ARG 43 6.705 -3.355 -8.342 256 1HD ARG 43 HD2 ARG 43 4.476 -5.543 -8.372 257 2HD ARG 43 HD1 ARG 43 5.487 -4.999 -9.596 258 HE ARG 43 HE ARG 43 7.364 -6.019 -8.108 259 1HH1 ARG 43 HH11 ARG 43 4.148 -7.351 -8.927 260 2HH1 ARG 43 HH12 ARG 43 4.629 -8.948 -8.804 261 1HH2 ARG 43 HH21 ARG 43 8.014 -8.234 -7.971 262 2HH2 ARG 43 HH22 ARG 43 6.929 -9.489 -8.296 263 H LYS 44 HN LYS 44 6.476 -3.204 -3.255 264 HA LYS 44 HA LYS 44 7.590 -5.555 -2.183 265 1HB LYS 44 HB2 LYS 44 6.938 -3.093 -0.586 266 2HB LYS 44 HB1 LYS 44 8.160 -4.294 -0.223 267 1HG LYS 44 HG2 LYS 44 8.205 -2.377 -2.538 268 2HG LYS 44 HG1 LYS 44 9.190 -2.273 -1.087 269 1HD LYS 44 HD2 LYS 44 10.338 -4.182 -1.598 270 2HD LYS 44 HD1 LYS 44 9.281 -4.662 -2.920 271 1HE LYS 44 HE2 LYS 44 11.196 -3.511 -4.179 272 2HE LYS 44 HE1 LYS 44 9.875 -2.415 -4.062 273 1HZ LYS 44 HZ1 LYS 44 10.855 -1.234 -2.247 274 2HZ LYS 44 HZ2 LYS 44 11.926 -1.350 -3.505 275 3HZ LYS 44 HZ3 LYS 44 12.123 -2.351 -2.166 276 H ALA 45 HN ALA 45 4.712 -3.837 -1.360 277 HA ALA 45 HA ALA 45 4.266 -5.627 0.864 278 1HB ALA 45 HB1 ALA 45 2.123 -4.359 1.350 279 2HB ALA 45 HB2 ALA 45 2.171 -3.619 -0.204 280 3HB ALA 45 HB3 ALA 45 3.368 -3.172 0.990 281 H MET 46 HN MET 46 2.947 -5.401 -2.376 282 HA MET 46 HA MET 46 1.272 -7.631 -1.876 283 1HB MET 46 HB2 MET 46 0.719 -7.719 -4.214 284 2HB MET 46 HB1 MET 46 0.853 -6.044 -3.788 285 1HG MET 46 HG2 MET 46 2.929 -5.804 -4.981 286 2HG MET 46 HG1 MET 46 3.131 -7.562 -5.131 287 1HE MET 46 HE1 MET 46 1.703 -4.277 -6.575 288 2HE MET 46 HE2 MET 46 0.313 -4.916 -5.720 289 3HE MET 46 HE3 MET 46 0.292 -4.809 -7.491 290 H ASP 47 HN ASP 47 4.580 -7.308 -2.943 291 HA ASP 47 HA ASP 47 5.442 -9.856 -3.664 292 1HB ASP 47 HB2 ASP 47 6.769 -7.582 -3.450 293 2HB ASP 47 HB1 ASP 47 6.728 -7.987 -1.797 294 H LYS 48 HN LYS 48 5.198 -8.259 -0.667 295 HA LYS 48 HA LYS 48 6.133 -10.288 0.994 296 1HB LYS 48 HB2 LYS 48 5.282 -7.657 1.240 297 2HB LYS 48 HB1 LYS 48 4.413 -8.586 2.433 298 1HG LYS 48 HG2 LYS 48 6.611 -7.566 3.213 299 2HG LYS 48 HG1 LYS 48 6.369 -9.245 3.628 300 1HD LYS 48 HD2 LYS 48 8.637 -8.941 2.864 301 2HD LYS 48 HD1 LYS 48 7.825 -9.836 1.627 302 1HE LYS 48 HE2 LYS 48 7.490 -7.794 0.290 303 2HE LYS 48 HE1 LYS 48 8.338 -6.812 1.469 304 1HZ LYS 48 HZ1 LYS 48 10.258 -8.447 1.027 305 2HZ LYS 48 HZ2 LYS 48 9.871 -7.320 -0.148 306 3HZ LYS 48 HZ3 LYS 48 9.349 -8.902 -0.342 307 H HIS 49 HN HIS 49 3.062 -9.809 -0.309 308 HA HIS 49 HA HIS 49 1.852 -11.658 1.627 309 1HB HIS 49 HB2 HIS 49 0.450 -10.401 -0.787 310 2HB HIS 49 HB1 HIS 49 -0.217 -11.528 0.366 311 HD2 HIS 49 HD2 HIS 49 1.787 -8.363 1.535 312 HE1 HIS 49 HE1 HIS 49 -2.127 -8.252 3.116 313 HE2 HIS 49 HE2 HIS 49 0.011 -6.989 2.755 314 H ASN 50 HN ASN 50 3.849 -12.125 -0.750 315 HA ASN 50 HA ASN 50 4.557 -13.887 -1.915 316 1HB ASN 50 HB2 ASN 50 4.060 -15.108 0.219 317 2HB ASN 50 HB1 ASN 50 2.461 -15.477 -0.397 318 1HD2 ASN 50 HD21 ASN 50 5.285 -15.569 -2.532 319 2HD2 ASN 50 HD22 ASN 50 5.333 -17.284 -2.631 320 H LEU 51 HN LEU 51 2.512 -12.207 -2.822 321 HA LEU 51 HA LEU 51 1.639 -13.879 -5.005 322 1HB LEU 51 HB2 LEU 51 -0.355 -12.172 -5.226 323 2HB LEU 51 HB1 LEU 51 -0.508 -13.549 -4.134 324 HG LEU 51 HG LEU 51 0.160 -11.835 -2.395 325 1HD1 LEU 51 HD11 LEU 51 0.705 -9.869 -4.097 326 2HD1 LEU 51 HD12 LEU 51 -0.627 -9.395 -3.051 327 3HD1 LEU 51 HD13 LEU 51 -0.949 -10.003 -4.637 328 1HD2 LEU 51 HD21 LEU 51 -2.499 -11.817 -3.802 329 2HD2 LEU 51 HD22 LEU 51 -2.253 -11.118 -2.213 330 3HD2 LEU 51 HD23 LEU 51 -1.993 -12.849 -2.467 331 H GLU 52 HN GLU 52 3.822 -13.218 -5.386 332 HA GLU 52 HA GLU 52 4.540 -10.667 -6.294 333 1HB GLU 52 HB2 GLU 52 5.658 -13.237 -7.389 334 2HB GLU 52 HB1 GLU 52 6.410 -11.661 -7.389 335 1HG GLU 52 HG2 GLU 52 7.538 -12.704 -5.741 336 2HG GLU 52 HG1 GLU 52 6.282 -11.902 -4.816 337 H GLU 53 HN GLU 53 2.687 -13.150 -7.713 338 HA GLU 53 HA GLU 53 3.138 -12.797 -10.473 339 1HB GLU 53 HB2 GLU 53 1.126 -14.084 -10.807 340 2HB GLU 53 HB1 GLU 53 2.062 -14.782 -9.492 341 1HG GLU 53 HG2 GLU 53 0.556 -13.704 -7.864 342 2HG GLU 53 HG1 GLU 53 -0.353 -13.012 -9.194 343 H GLU 54 HN GLU 54 1.398 -10.908 -8.254 344 HA GLU 54 HA GLU 54 -0.435 -9.843 -10.210 345 1HB GLU 54 HB2 GLU 54 0.040 -9.197 -7.304 346 2HB GLU 54 HB1 GLU 54 -1.246 -8.475 -8.259 347 1HG GLU 54 HG2 GLU 54 -0.975 -11.414 -7.480 348 2HG GLU 54 HG1 GLU 54 -2.115 -10.243 -6.845 349 H GLU 55 HN GLU 55 -0.266 -7.732 -11.061 350 HA GLU 55 HA GLU 55 2.326 -6.510 -10.573 351 1HB GLU 55 HB2 GLU 55 1.023 -7.381 -12.924 352 2HB GLU 55 HB1 GLU 55 0.957 -5.684 -12.906 353 1HG GLU 55 HG2 GLU 55 2.965 -6.422 -14.099 354 2HG GLU 55 HG1 GLU 55 3.219 -5.269 -12.793 355 HA PRO 56 HA PRO 56 0.152 -2.663 -9.435 356 1HB PRO 56 HB2 PRO 56 2.532 -1.596 -10.937 357 2HB PRO 56 HB1 PRO 56 1.923 -1.102 -9.320 358 1HG PRO 56 HG2 PRO 56 4.050 -2.510 -9.589 359 2HG PRO 56 HG1 PRO 56 2.870 -3.060 -8.392 360 1HD PRO 56 HD2 PRO 56 3.342 -4.075 -11.180 361 2HD PRO 56 HD1 PRO 56 3.115 -4.982 -9.666 362 H GLU 57 HN GLU 57 0.912 -3.741 -12.561 363 HA GLU 57 HA GLU 57 -0.119 -1.636 -14.095 364 1HB GLU 57 HB2 GLU 57 -0.262 -4.576 -14.782 365 2HB GLU 57 HB1 GLU 57 -0.291 -3.222 -15.902 366 1HG GLU 57 HG2 GLU 57 2.024 -4.185 -14.247 367 2HG GLU 57 HG1 GLU 57 1.874 -4.178 -16.002 368 H ASP 58 HN ASP 58 -1.721 -4.511 -12.642 369 HA ASP 58 HA ASP 58 -4.307 -3.291 -13.255 370 1HB ASP 58 HB2 ASP 58 -3.551 -5.996 -12.172 371 2HB ASP 58 HB1 ASP 58 -5.178 -5.378 -11.943 372 H TYR 59 HN TYR 59 -2.208 -3.930 -10.524 373 HA TYR 59 HA TYR 59 -4.354 -2.996 -8.765 374 1HB TYR 59 HB2 TYR 59 -1.816 -4.312 -8.045 375 2HB TYR 59 HB1 TYR 59 -3.074 -3.818 -6.936 376 HD1 TYR 59 HD1 TYR 59 -2.470 -6.138 -9.766 377 HD2 TYR 59 HD2 TYR 59 -4.873 -5.224 -6.405 378 HE1 TYR 59 HE1 TYR 59 -3.668 -8.294 -10.027 379 HE2 TYR 59 HE2 TYR 59 -6.016 -7.379 -6.622 380 HH TYR 59 HH TYR 59 -4.914 -9.797 -8.556 381 H GLU 60 HN GLU 60 -3.759 -1.854 -6.929 382 HA GLU 60 HA GLU 60 -1.501 -0.154 -6.930 383 1HB GLU 60 HB2 GLU 60 -3.112 2.062 -7.075 384 2HB GLU 60 HB1 GLU 60 -2.573 1.212 -8.507 385 1HG GLU 60 HG2 GLU 60 -4.569 0.412 -8.821 386 2HG GLU 60 HG1 GLU 60 -5.158 0.677 -7.179 387 H LEU 61 HN LEU 61 -1.490 1.307 -4.942 388 HA LEU 61 HA LEU 61 -2.959 -0.102 -2.900 389 1HB LEU 61 HB2 LEU 61 -1.090 -0.556 -1.935 390 2HB LEU 61 HB1 LEU 61 -0.303 0.191 -3.268 391 HG LEU 61 HG LEU 61 -0.901 1.764 -0.763 392 1HD1 LEU 61 HD11 LEU 61 0.693 -0.245 0.011 393 2HD1 LEU 61 HD12 LEU 61 1.753 1.084 -0.017 394 3HD1 LEU 61 HD13 LEU 61 1.697 -0.001 -1.341 395 1HD2 LEU 61 HD21 LEU 61 1.358 2.451 -2.883 396 2HD2 LEU 61 HD22 LEU 61 0.807 3.413 -1.539 397 3HD2 LEU 61 HD23 LEU 61 -0.247 3.092 -2.791 398 H LEU 62 HN LEU 62 -3.969 0.736 -1.185 399 HA LEU 62 HA LEU 62 -4.970 3.493 -1.645 400 1HB LEU 62 HB2 LEU 62 -6.275 1.225 -2.006 401 2HB LEU 62 HB1 LEU 62 -6.448 1.258 -0.291 402 HG LEU 62 HG LEU 62 -7.615 3.233 -2.242 403 1HD1 LEU 62 HD11 LEU 62 -9.790 2.363 -1.409 404 2HD1 LEU 62 HD12 LEU 62 -8.920 1.127 -0.511 405 3HD1 LEU 62 HD13 LEU 62 -8.851 1.157 -2.272 406 1HD2 LEU 62 HD21 LEU 62 -8.882 4.268 -0.291 407 2HD2 LEU 62 HD22 LEU 62 -7.201 4.447 0.128 408 3HD2 LEU 62 HD23 LEU 62 -8.144 3.140 0.770 409 H GLN 63 HN GLN 63 -4.878 4.819 0.432 410 HA GLN 63 HA GLN 63 -4.208 3.435 2.882 411 1HB GLN 63 HB2 GLN 63 -4.359 6.258 2.114 412 2HB GLN 63 HB1 GLN 63 -4.419 5.829 3.842 413 1HG GLN 63 HG2 GLN 63 -2.330 4.436 3.279 414 2HG GLN 63 HG1 GLN 63 -2.324 5.419 1.838 415 1HE2 GLN 63 HE21 GLN 63 -3.015 8.038 3.165 416 2HE2 GLN 63 HE22 GLN 63 -1.584 8.408 4.012 417 H ILE 64 HN ILE 64 -5.479 3.153 4.446 418 HA ILE 64 HA ILE 64 -8.120 4.351 4.377 419 HB ILE 64 HB ILE 64 -7.386 1.539 4.898 420 1HG1 ILE 64 HG12 ILE 64 -9.985 1.874 3.634 421 2HG1 ILE 64 HG11 ILE 64 -8.961 3.144 3.191 422 1HG2 ILE 64 HG21 ILE 64 -10.018 2.770 6.160 423 2HG2 ILE 64 HG22 ILE 64 -8.685 2.340 7.134 424 3HG2 ILE 64 HG23 ILE 64 -9.562 1.094 6.319 425 1HD1 ILE 64 HD11 ILE 64 -7.318 1.798 2.258 426 2HD1 ILE 64 HD12 ILE 64 -8.894 1.268 1.670 427 3HD1 ILE 64 HD13 ILE 64 -8.072 0.351 2.924 428 H LEU 65 HN LEU 65 -8.733 5.448 6.085 429 HA LEU 65 HA LEU 65 -6.788 5.629 8.232 430 1HB LEU 65 HB2 LEU 65 -8.863 7.562 7.181 431 2HB LEU 65 HB1 LEU 65 -8.078 7.725 8.684 432 HG LEU 65 HG LEU 65 -5.890 7.912 7.680 433 1HD1 LEU 65 HD11 LEU 65 -7.208 8.021 4.785 434 2HD1 LEU 65 HD12 LEU 65 -6.079 6.830 5.335 435 3HD1 LEU 65 HD13 LEU 65 -5.558 8.401 5.067 436 1HD2 LEU 65 HD21 LEU 65 -7.081 10.059 8.337 437 2HD2 LEU 65 HD22 LEU 65 -7.903 10.169 6.859 438 3HD2 LEU 65 HD23 LEU 65 -6.194 10.483 6.917 439 H SER 66 HN SER 66 -10.129 6.538 7.898 440 HA SER 66 HA SER 66 -10.985 4.293 9.484 441 1HB SER 66 HB2 SER 66 -11.541 7.141 10.337 442 2HB SER 66 HB1 SER 66 -12.182 5.668 11.075 443 HG SER 66 HG SER 66 -9.667 5.254 11.065 444 H ASP 67 HN ASP 67 -12.309 3.511 8.028 445 HA ASP 67 HA ASP 67 -14.208 3.060 6.952 446 1HB ASP 67 HB2 ASP 67 -15.175 3.666 9.091 447 2HB ASP 67 HB1 ASP 67 -15.355 5.322 8.536 448 H ASP 68 HN ASP 68 -13.506 6.184 6.614 449 HA ASP 68 HA ASP 68 -15.200 6.369 4.152 450 1HB ASP 68 HB2 ASP 68 -16.370 7.481 6.053 451 2HB ASP 68 HB1 ASP 68 -15.031 8.620 6.151 452 H ARG 69 HN ARG 69 -12.902 8.380 5.985 453 HA ARG 69 HA ARG 69 -11.708 9.458 3.704 454 1HB ARG 69 HB2 ARG 69 -10.444 9.030 6.448 455 2HB ARG 69 HB1 ARG 69 -9.836 10.040 5.135 456 1HG ARG 69 HG2 ARG 69 -12.455 10.525 6.498 457 2HG ARG 69 HG1 ARG 69 -10.937 11.307 6.942 458 1HD ARG 69 HD2 ARG 69 -12.101 11.333 4.202 459 2HD ARG 69 HD1 ARG 69 -12.377 12.650 5.360 460 HE ARG 69 HE ARG 69 -9.755 12.609 5.271 461 1HH1 ARG 69 HH11 ARG 69 -11.974 12.220 2.521 462 2HH1 ARG 69 HH12 ARG 69 -10.952 13.037 1.427 463 1HH2 ARG 69 HH21 ARG 69 -8.370 13.647 3.754 464 2HH2 ARG 69 HH22 ARG 69 -8.851 13.841 2.123 465 H LYS 70 HN LYS 70 -11.487 7.818 2.301 466 HA LYS 70 HA LYS 70 -9.368 6.051 2.970 467 1HB LYS 70 HB2 LYS 70 -11.440 5.713 0.759 468 2HB LYS 70 HB1 LYS 70 -10.118 4.611 1.040 469 1HG LYS 70 HG2 LYS 70 -11.106 4.148 3.286 470 2HG LYS 70 HG1 LYS 70 -12.538 5.048 2.761 471 1HD LYS 70 HD2 LYS 70 -12.716 3.620 0.757 472 2HD LYS 70 HD1 LYS 70 -11.349 2.670 1.288 473 1HE LYS 70 HE2 LYS 70 -13.376 1.457 1.725 474 2HE LYS 70 HE1 LYS 70 -12.797 1.919 3.303 475 1HZ LYS 70 HZ1 LYS 70 -15.157 2.200 2.981 476 2HZ LYS 70 HZ2 LYS 70 -14.916 3.337 1.773 477 3HZ LYS 70 HZ3 LYS 70 -14.460 3.664 3.369 478 H LEU 71 HN LEU 71 -7.514 6.329 1.587 479 HA LEU 71 HA LEU 71 -7.711 8.482 -0.458 480 1HB LEU 71 HB2 LEU 71 -5.469 7.856 1.385 481 2HB LEU 71 HB1 LEU 71 -5.501 9.200 0.294 482 HG LEU 71 HG LEU 71 -7.266 8.772 2.711 483 1HD1 LEU 71 HD11 LEU 71 -6.110 10.774 3.607 484 2HD1 LEU 71 HD12 LEU 71 -5.122 10.828 2.143 485 3HD1 LEU 71 HD13 LEU 71 -4.988 9.458 3.244 486 1HD2 LEU 71 HD21 LEU 71 -8.205 11.004 2.339 487 2HD2 LEU 71 HD22 LEU 71 -8.572 9.955 0.987 488 3HD2 LEU 71 HD23 LEU 71 -7.321 11.191 0.837 489 H LYS 72 HN LYS 72 -7.090 7.750 -2.434 490 HA LYS 72 HA LYS 72 -5.728 5.234 -2.592 491 1HB LYS 72 HB2 LYS 72 -6.849 7.088 -4.664 492 2HB LYS 72 HB1 LYS 72 -5.744 5.810 -5.133 493 1HG LYS 72 HG2 LYS 72 -7.697 4.767 -5.491 494 2HG LYS 72 HG1 LYS 72 -7.370 4.298 -3.827 495 1HD LYS 72 HD2 LYS 72 -9.216 6.614 -4.681 496 2HD LYS 72 HD1 LYS 72 -9.817 4.994 -4.408 497 1HE LYS 72 HE2 LYS 72 -9.494 5.189 -2.032 498 2HE LYS 72 HE1 LYS 72 -8.432 6.591 -2.231 499 1HZ LYS 72 HZ1 LYS 72 -10.544 7.265 -1.448 500 2HZ LYS 72 HZ2 LYS 72 -11.351 6.397 -2.647 501 3HZ LYS 72 HZ3 LYS 72 -10.449 7.753 -3.058 502 H ILE 73 HN ILE 73 -3.567 4.913 -3.114 503 HA ILE 73 HA ILE 73 -2.019 7.369 -3.205 504 HB ILE 73 HB ILE 73 -1.228 4.530 -2.506 505 1HG1 ILE 73 HG12 ILE 73 -2.560 5.189 -0.760 506 2HG1 ILE 73 HG11 ILE 73 -0.938 5.221 -0.174 507 1HG2 ILE 73 HG21 ILE 73 1.042 5.612 -1.623 508 2HG2 ILE 73 HG22 ILE 73 0.578 7.120 -2.347 509 3HG2 ILE 73 HG23 ILE 73 0.859 5.759 -3.344 510 1HD1 ILE 73 HD11 ILE 73 -2.688 7.852 -0.649 511 2HD1 ILE 73 HD12 ILE 73 -1.029 7.945 -0.182 512 3HD1 ILE 73 HD13 ILE 73 -2.162 7.278 0.879 513 HA PRO 74 HA PRO 74 -1.251 6.369 -7.401 514 1HB PRO 74 HB2 PRO 74 -0.365 8.755 -8.156 515 2HB PRO 74 HB1 PRO 74 -2.047 8.528 -7.692 516 1HG PRO 74 HG2 PRO 74 0.204 9.684 -6.130 517 2HG PRO 74 HG1 PRO 74 -1.467 10.256 -6.257 518 1HD PRO 74 HD2 PRO 74 -0.526 8.697 -4.142 519 2HD PRO 74 HD1 PRO 74 -2.222 8.827 -4.649 520 H GLU 75 HN GLU 75 0.875 7.253 -8.840 521 HA GLU 75 HA GLU 75 2.892 5.565 -7.636 522 1HB GLU 75 HB2 GLU 75 2.891 6.683 -10.404 523 2HB GLU 75 HB1 GLU 75 3.813 5.339 -9.784 524 1HG GLU 75 HG2 GLU 75 1.804 4.024 -9.515 525 2HG GLU 75 HG1 GLU 75 0.822 5.392 -10.017 526 H ASN 76 HN ASN 76 2.577 8.953 -8.624 527 HA ASN 76 HA ASN 76 5.439 9.299 -8.498 528 1HB ASN 76 HB2 ASN 76 4.011 10.440 -10.209 529 2HB ASN 76 HB1 ASN 76 3.337 11.421 -8.915 530 1HD2 ASN 76 HD21 ASN 76 6.736 10.421 -9.261 531 2HD2 ASN 76 HD22 ASN 76 7.338 12.018 -9.447 532 H ALA 77 HN ALA 77 2.921 9.500 -6.296 533 HA ALA 77 HA ALA 77 4.142 11.660 -4.776 534 1HB ALA 77 HB1 ALA 77 1.772 9.923 -3.781 535 2HB ALA 77 HB2 ALA 77 1.524 11.449 -4.594 536 3HB ALA 77 HB3 ALA 77 2.276 11.398 -3.034 537 H ASN 78 HN ASN 78 5.466 11.527 -3.181 538 HA ASN 78 HA ASN 78 6.840 9.105 -2.654 539 1HB ASN 78 HB2 ASN 78 7.003 11.787 -1.167 540 2HB ASN 78 HB1 ASN 78 7.970 10.399 -0.771 541 1HD2 ASN 78 HD21 ASN 78 7.301 10.697 -4.070 542 2HD2 ASN 78 HD22 ASN 78 8.806 11.358 -4.584 543 H VAL 79 HN VAL 79 6.667 7.743 -0.756 544 HA VAL 79 HA VAL 79 4.002 7.574 0.225 545 HB VAL 79 HB VAL 79 6.507 6.257 1.281 546 1HG1 VAL 79 HG11 VAL 79 4.919 4.583 2.573 547 2HG1 VAL 79 HG12 VAL 79 3.562 5.414 1.933 548 3HG1 VAL 79 HG13 VAL 79 4.574 6.228 3.097 549 1HG2 VAL 79 HG21 VAL 79 5.631 4.106 0.171 550 2HG2 VAL 79 HG22 VAL 79 5.899 5.301 -1.067 551 3HG2 VAL 79 HG23 VAL 79 4.299 4.966 -0.475 552 H PHE 80 HN PHE 80 6.878 8.801 1.610 553 HA PHE 80 HA PHE 80 5.852 9.291 4.176 554 1HB PHE 80 HB2 PHE 80 8.138 10.407 2.687 555 2HB PHE 80 HB1 PHE 80 7.704 11.207 4.114 556 HD1 PHE 80 HD1 PHE 80 9.430 8.022 2.941 557 HD2 PHE 80 HD2 PHE 80 7.583 9.908 6.440 558 HE1 PHE 80 HE1 PHE 80 10.420 6.437 4.408 559 HE2 PHE 80 HE2 PHE 80 8.639 8.325 7.800 560 HZ PHE 80 HZ PHE 80 10.082 6.561 6.855 561 H TYR 81 HN TYR 81 5.464 10.953 1.284 562 HA TYR 81 HA TYR 81 4.560 13.394 2.541 563 1HB TYR 81 HB2 TYR 81 5.264 12.488 -0.145 564 2HB TYR 81 HB1 TYR 81 4.305 13.942 -0.013 565 HD1 TYR 81 HD1 TYR 81 7.644 12.436 1.393 566 HD2 TYR 81 HD2 TYR 81 5.670 16.193 0.232 567 HE1 TYR 81 HE1 TYR 81 9.611 13.670 1.778 568 HE2 TYR 81 HE2 TYR 81 7.714 17.309 0.663 569 HH TYR 81 HH TYR 81 10.692 15.704 1.174 570 H ALA 82 HN ALA 82 3.316 10.600 0.835 571 HA ALA 82 HA ALA 82 0.669 11.816 0.684 572 1HB ALA 82 HB1 ALA 82 0.019 9.780 -0.715 573 2HB ALA 82 HB2 ALA 82 1.506 9.022 -0.254 574 3HB ALA 82 HB3 ALA 82 1.564 10.397 -1.303 575 H MET 83 HN MET 83 2.341 9.676 2.805 576 HA MET 83 HA MET 83 0.024 8.364 3.758 577 1HB MET 83 HB2 MET 83 1.384 7.365 5.480 578 2HB MET 83 HB1 MET 83 2.219 7.388 3.968 579 1HG MET 83 HG2 MET 83 3.985 8.213 5.218 580 2HG MET 83 HG1 MET 83 3.065 9.725 5.155 581 1HE MET 83 HE1 MET 83 2.770 6.825 8.711 582 2HE MET 83 HE2 MET 83 3.761 6.504 7.288 583 3HE MET 83 HE3 MET 83 2.006 6.495 7.158 584 H ASN 84 HN ASN 84 -0.816 8.503 6.010 585 HA ASN 84 HA ASN 84 -1.094 11.289 6.598 586 1HB ASN 84 HB2 ASN 84 -3.272 10.722 7.501 587 2HB ASN 84 HB1 ASN 84 -3.205 10.212 5.866 588 1HD2 ASN 84 HD21 ASN 84 -2.493 7.414 5.765 589 2HD2 ASN 84 HD22 ASN 84 -3.214 6.620 7.067 590 H SER 85 HN SER 85 -1.453 11.533 9.368 591 HA SER 85 HA SER 85 -0.318 9.234 10.551 592 1HB SER 85 HB2 SER 85 1.119 10.907 11.940 593 2HB SER 85 HB1 SER 85 1.620 10.499 10.299 594 HG SER 85 HG SER 85 1.308 12.854 11.164 595 H THR 86 HN THR 86 -0.273 10.017 13.235 596 HA THR 86 HA THR 86 -1.769 10.160 15.136 597 HB THR 86 HB THR 86 -3.087 12.379 13.518 598 HG1 THR 86 HG1 THR 86 -0.531 12.150 13.855 599 1HG2 THR 86 HG21 THR 86 -2.374 12.065 16.491 600 2HG2 THR 86 HG22 THR 86 -4.002 11.863 15.925 601 3HG2 THR 86 HG23 THR 86 -3.240 13.453 15.895 602 H ALA 87 HN ALA 87 -2.390 8.280 13.062 603 HA ALA 87 HA ALA 87 -5.007 7.510 13.742 604 1HB ALA 87 HB1 ALA 87 -4.613 8.480 10.853 605 2HB ALA 87 HB2 ALA 87 -5.536 9.329 12.064 606 3HB ALA 87 HB3 ALA 87 -6.110 7.797 11.488 607 H ASN 88 HN ASN 88 -5.388 5.285 12.590 608 HA ASN 88 HA ASN 88 -3.005 3.949 12.432 609 1HB ASN 88 HB2 ASN 88 -4.314 2.022 11.416 610 2HB ASN 88 HB1 ASN 88 -4.898 2.625 12.958 611 1HD2 ASN 88 HD21 ASN 88 -5.546 2.450 9.504 612 2HD2 ASN 88 HD22 ASN 88 -7.199 2.921 9.638 613 H TYR 89 HN TYR 89 -1.700 3.241 10.641 614 HA TYR 89 HA TYR 89 -2.246 4.694 8.165 615 1HB TYR 89 HB2 TYR 89 0.177 3.089 8.405 616 2HB TYR 89 HB1 TYR 89 0.004 4.633 7.729 617 HD1 TYR 89 HD1 TYR 89 -0.594 6.759 9.691 618 HD2 TYR 89 HD2 TYR 89 1.706 3.114 10.705 619 HE1 TYR 89 HE1 TYR 89 0.426 7.766 11.603 620 HE2 TYR 89 HE2 TYR 89 2.585 4.246 12.507 621 HH TYR 89 HH TYR 89 3.057 6.444 13.269 622 H ASP 90 HN ASP 90 -3.766 3.302 7.192 623 HA ASP 90 HA ASP 90 -2.902 0.460 7.105 624 1HB ASP 90 HB2 ASP 90 -5.089 1.055 8.408 625 2HB ASP 90 HB1 ASP 90 -5.759 1.412 6.841 626 H PHE 91 HN PHE 91 -3.087 -0.599 5.155 627 HA PHE 91 HA PHE 91 -3.802 1.068 2.885 628 1HB PHE 91 HB2 PHE 91 -1.294 -0.617 2.922 629 2HB PHE 91 HB1 PHE 91 -1.921 0.298 1.582 630 HD1 PHE 91 HD1 PHE 91 -1.100 2.461 1.147 631 HD2 PHE 91 HD2 PHE 91 -0.575 0.800 5.030 632 HE1 PHE 91 HE1 PHE 91 0.453 4.285 1.731 633 HE2 PHE 91 HE2 PHE 91 0.858 2.603 5.635 634 HZ PHE 91 HZ PHE 91 1.426 4.397 3.999 635 H VAL 92 HN VAL 92 -4.517 -0.076 1.164 636 HA VAL 92 HA VAL 92 -4.914 -2.987 1.420 637 HB VAL 92 HB VAL 92 -6.802 -0.777 0.594 638 1HG1 VAL 92 HG11 VAL 92 -7.448 -3.819 0.483 639 2HG1 VAL 92 HG12 VAL 92 -7.407 -2.797 -0.974 640 3HG1 VAL 92 HG13 VAL 92 -8.631 -2.591 0.228 641 1HG2 VAL 92 HG21 VAL 92 -7.003 -2.823 2.764 642 2HG2 VAL 92 HG22 VAL 92 -8.264 -1.657 2.377 643 3HG2 VAL 92 HG23 VAL 92 -6.673 -1.104 2.933 644 H LEU 93 HN LEU 93 -4.567 -4.053 -0.598 645 HA LEU 93 HA LEU 93 -3.882 -2.245 -2.814 646 1HB LEU 93 HB2 LEU 93 -2.284 -3.719 -3.493 647 2HB LEU 93 HB1 LEU 93 -2.554 -4.651 -2.054 648 HG LEU 93 HG LEU 93 -3.868 -5.054 -4.743 649 1HD1 LEU 93 HD11 LEU 93 -1.372 -6.832 -3.752 650 2HD1 LEU 93 HD12 LEU 93 -1.276 -5.581 -4.874 651 3HD1 LEU 93 HD13 LEU 93 -2.127 -6.980 -5.306 652 1HD2 LEU 93 HD21 LEU 93 -3.981 -6.922 -2.237 653 2HD2 LEU 93 HD22 LEU 93 -4.599 -7.500 -3.741 654 3HD2 LEU 93 HD23 LEU 93 -5.331 -6.152 -2.981 655 H LYS 94 HN LYS 94 -4.914 -2.128 -4.726 656 HA LYS 94 HA LYS 94 -7.769 -3.053 -4.765 657 1HB LYS 94 HB2 LYS 94 -6.508 -0.634 -6.058 658 2HB LYS 94 HB1 LYS 94 -8.209 -1.007 -5.928 659 1HG LYS 94 HG2 LYS 94 -8.229 -0.361 -3.584 660 2HG LYS 94 HG1 LYS 94 -6.468 -0.430 -3.544 661 1HD LYS 94 HD2 LYS 94 -7.438 1.822 -3.517 662 2HD LYS 94 HD1 LYS 94 -6.333 1.614 -4.834 663 1HE LYS 94 HE2 LYS 94 -9.352 1.384 -5.125 664 2HE LYS 94 HE1 LYS 94 -8.492 2.898 -5.243 665 1HZ LYS 94 HZ1 LYS 94 -8.069 0.574 -7.036 666 2HZ LYS 94 HZ2 LYS 94 -7.267 2.087 -7.123 667 3HZ LYS 94 HZ3 LYS 94 -8.909 1.989 -7.379 668 H LYS 95 HN LYS 95 -8.516 -3.876 -6.850 669 HA LYS 95 HA LYS 95 -6.494 -3.989 -8.996 670 1HB LYS 95 HB2 LYS 95 -8.007 -6.105 -8.354 671 2HB LYS 95 HB1 LYS 95 -9.228 -5.190 -9.165 672 1HG LYS 95 HG2 LYS 95 -7.946 -5.098 -11.223 673 2HG LYS 95 HG1 LYS 95 -6.649 -6.007 -10.432 674 1HD LYS 95 HD2 LYS 95 -8.193 -7.884 -10.094 675 2HD LYS 95 HD1 LYS 95 -9.490 -6.983 -10.863 676 1HE LYS 95 HE2 LYS 95 -7.006 -8.152 -12.236 677 2HE LYS 95 HE1 LYS 95 -8.678 -8.541 -12.494 678 1HZ LYS 95 HZ1 LYS 95 -8.961 -6.150 -13.315 679 2HZ LYS 95 HZ2 LYS 95 -8.154 -7.259 -14.254 680 3HZ LYS 95 HZ3 LYS 95 -7.256 -6.127 -13.461 681 H ARG 96 HN ARG 96 -6.605 -2.316 -10.318 682 HA ARG 96 HA ARG 96 -9.138 -0.987 -10.671 683 1HB ARG 96 HB2 ARG 96 -6.451 -0.373 -11.902 684 2HB ARG 96 HB1 ARG 96 -7.880 0.545 -12.210 685 1HG ARG 96 HG2 ARG 96 -7.948 0.521 -9.558 686 2HG ARG 96 HG1 ARG 96 -6.217 0.487 -9.898 687 1HD ARG 96 HD2 ARG 96 -7.162 2.829 -9.776 688 2HD ARG 96 HD1 ARG 96 -6.411 2.490 -11.327 689 HE ARG 96 HE ARG 96 -9.240 1.942 -11.140 690 1HH1 ARG 96 HH11 ARG 96 -6.841 4.415 -11.954 691 2HH1 ARG 96 HH12 ARG 96 -7.862 5.201 -13.062 692 1HH2 ARG 96 HH21 ARG 96 -10.598 3.003 -12.641 693 2HH2 ARG 96 HH22 ARG 96 -10.038 4.387 -13.460 694 H THR 97 HN THR 97 -10.543 -2.006 -11.742 695 HA THR 97 HA THR 97 -11.669 -3.116 -13.363 696 HB THR 97 HB THR 97 -11.113 -2.479 -15.794 697 HG1 THR 97 HG1 THR 97 -8.832 -1.940 -14.890 698 1HG2 THR 97 HG21 THR 97 -12.806 -0.797 -14.623 699 2HG2 THR 97 HG22 THR 97 -11.703 0.054 -15.656 700 3HG2 THR 97 HG23 THR 97 -11.399 0.036 -13.984 Start of MODEL 5 1 1H ASP 11 HT1 ASP 11 15.422 7.494 8.802 2 2H ASP 11 HT2 ASP 11 15.006 7.515 10.439 3 3H ASP 11 HT3 ASP 11 15.309 8.967 9.634 4 HA ASP 11 HA ASP 11 13.010 8.653 9.962 5 1HB ASP 11 HB2 ASP 11 12.256 8.895 7.605 6 2HB ASP 11 HB1 ASP 11 13.704 9.835 7.921 7 H CYS 12 HN CYS 12 11.234 7.045 10.106 8 HA CYS 12 HA CYS 12 11.147 4.897 8.302 9 1HB CYS 12 HB2 CYS 12 11.252 3.079 10.135 10 2HB CYS 12 HB1 CYS 12 12.793 3.860 9.770 11 HG CYS 12 HG CYS 12 13.224 4.854 12.080 12 H CYS 13 HN CYS 13 9.016 3.993 8.312 13 HA CYS 13 HA CYS 13 7.286 4.755 10.497 14 1HB CYS 13 HB2 CYS 13 6.793 4.883 7.538 15 2HB CYS 13 HB1 CYS 13 5.522 4.912 8.742 16 HG CYS 13 HG CYS 13 7.653 7.197 9.593 17 H ILE 14 HN ILE 14 5.849 3.140 11.036 18 HA ILE 14 HA ILE 14 6.254 0.559 9.706 19 HB ILE 14 HB ILE 14 5.167 1.191 12.463 20 1HG1 ILE 14 HG12 ILE 14 7.866 0.181 11.612 21 2HG1 ILE 14 HG11 ILE 14 7.545 1.779 12.185 22 1HG2 ILE 14 HG21 ILE 14 5.554 -1.403 12.808 23 2HG2 ILE 14 HG22 ILE 14 6.181 -1.452 11.194 24 3HG2 ILE 14 HG23 ILE 14 4.485 -1.153 11.425 25 1HD1 ILE 14 HD11 ILE 14 6.868 0.836 14.534 26 2HD1 ILE 14 HD12 ILE 14 8.502 0.337 14.226 27 3HD1 ILE 14 HD13 ILE 14 7.185 -0.768 13.982 28 H ILE 15 HN ILE 15 4.541 -0.170 8.558 29 HA ILE 15 HA ILE 15 1.913 1.188 8.905 30 HB ILE 15 HB ILE 15 1.693 1.281 6.550 31 1HG1 ILE 15 HG12 ILE 15 4.381 -0.187 6.404 32 2HG1 ILE 15 HG11 ILE 15 2.862 -0.843 6.163 33 1HG2 ILE 15 HG21 ILE 15 3.683 3.194 6.044 34 2HG2 ILE 15 HG22 ILE 15 4.506 2.555 7.413 35 3HG2 ILE 15 HG23 ILE 15 3.052 3.325 7.632 36 1HD1 ILE 15 HD11 ILE 15 3.849 -0.598 3.788 37 2HD1 ILE 15 HD12 ILE 15 4.232 1.006 3.962 38 3HD1 ILE 15 HD13 ILE 15 2.557 0.545 3.873 39 H ARG 16 HN ARG 16 0.166 -0.002 7.719 40 HA ARG 16 HA ARG 16 0.421 -2.904 8.210 41 1HB ARG 16 HB2 ARG 16 -1.063 -1.702 9.760 42 2HB ARG 16 HB1 ARG 16 -2.033 -1.122 8.422 43 1HG ARG 16 HG2 ARG 16 -2.313 -3.605 7.813 44 2HG ARG 16 HG1 ARG 16 -1.810 -3.945 9.455 45 1HD ARG 16 HD2 ARG 16 -4.136 -2.214 8.597 46 2HD ARG 16 HD1 ARG 16 -4.283 -3.858 9.173 47 HE ARG 16 HE ARG 16 -3.224 -2.655 11.337 48 1HH1 ARG 16 HH11 ARG 16 -5.868 -1.578 9.182 49 2HH1 ARG 16 HH12 ARG 16 -6.632 -0.727 10.442 50 1HH2 ARG 16 HH21 ARG 16 -4.364 -1.498 12.989 51 2HH2 ARG 16 HH22 ARG 16 -5.798 -0.680 12.581 52 H VAL 17 HN VAL 17 -0.542 -4.306 6.651 53 HA VAL 17 HA VAL 17 -1.479 -3.007 4.197 54 HB VAL 17 HB VAL 17 0.310 -5.437 4.410 55 1HG1 VAL 17 HG11 VAL 17 -0.495 -3.974 1.744 56 2HG1 VAL 17 HG12 VAL 17 -1.148 -5.519 2.213 57 3HG1 VAL 17 HG13 VAL 17 0.543 -5.357 1.813 58 1HG2 VAL 17 HG21 VAL 17 1.230 -2.760 3.172 59 2HG2 VAL 17 HG22 VAL 17 2.256 -4.122 3.406 60 3HG2 VAL 17 HG23 VAL 17 1.689 -3.235 4.789 61 H SER 18 HN SER 18 -3.325 -3.848 3.467 62 HA SER 18 HA SER 18 -4.116 -6.533 4.258 63 1HB SER 18 HB2 SER 18 -6.447 -5.475 4.892 64 2HB SER 18 HB1 SER 18 -5.192 -4.805 5.876 65 HG SER 18 HG SER 18 -5.326 -2.978 4.960 66 H LEU 19 HN LEU 19 -5.901 -7.401 2.803 67 HA LEU 19 HA LEU 19 -5.295 -6.554 0.063 68 1HB LEU 19 HB2 LEU 19 -6.285 -9.212 1.119 69 2HB LEU 19 HB1 LEU 19 -6.000 -8.726 -0.556 70 HG LEU 19 HG LEU 19 -3.804 -8.822 1.532 71 1HD1 LEU 19 HD11 LEU 19 -4.825 -11.213 1.374 72 2HD1 LEU 19 HD12 LEU 19 -3.227 -11.296 0.840 73 3HD1 LEU 19 HD13 LEU 19 -4.503 -11.349 -0.312 74 1HD2 LEU 19 HD21 LEU 19 -2.258 -8.839 -0.677 75 2HD2 LEU 19 HD22 LEU 19 -3.297 -7.469 -0.562 76 3HD2 LEU 19 HD23 LEU 19 -3.749 -8.742 -1.594 77 H ASP 20 HN ASP 20 -7.021 -6.326 -1.382 78 HA ASP 20 HA ASP 20 -9.582 -5.465 -0.483 79 1HB ASP 20 HB2 ASP 20 -8.670 -4.873 -2.752 80 2HB ASP 20 HB1 ASP 20 -8.867 -6.547 -3.237 81 H VAL 21 HN VAL 21 -8.434 -8.550 -1.309 82 HA VAL 21 HA VAL 21 -10.829 -9.939 -1.415 83 HB VAL 21 HB VAL 21 -8.665 -10.838 -1.909 84 1HG1 VAL 21 HG11 VAL 21 -8.549 -11.535 1.107 85 2HG1 VAL 21 HG12 VAL 21 -7.223 -10.729 0.306 86 3HG1 VAL 21 HG13 VAL 21 -7.571 -12.401 -0.001 87 1HG2 VAL 21 HG21 VAL 21 -10.560 -12.603 -0.386 88 2HG2 VAL 21 HG22 VAL 21 -9.263 -13.242 -1.393 89 3HG2 VAL 21 HG23 VAL 21 -10.531 -12.251 -2.113 90 H ASP 22 HN ASP 22 -9.391 -8.626 1.474 91 HA ASP 22 HA ASP 22 -11.887 -9.322 2.707 92 1HB ASP 22 HB2 ASP 22 -10.280 -11.037 3.586 93 2HB ASP 22 HB1 ASP 22 -9.368 -9.708 4.326 94 H ASN 23 HN ASN 23 -12.633 -7.628 2.884 95 HA ASN 23 HA ASN 23 -11.867 -5.031 2.957 96 1HB ASN 23 HB2 ASN 23 -14.232 -5.600 2.820 97 2HB ASN 23 HB1 ASN 23 -14.228 -6.112 4.499 98 1HD2 ASN 23 HD21 ASN 23 -14.337 -3.390 2.353 99 2HD2 ASN 23 HD22 ASN 23 -14.691 -2.231 3.577 100 H GLY 24 HN GLY 24 -11.580 -6.901 5.570 101 1HA GLY 24 HA2 GLY 24 -10.059 -4.877 7.031 102 2HA GLY 24 HA1 GLY 24 -11.616 -5.181 7.782 103 H ASN 25 HN ASN 25 -8.971 -7.059 6.462 104 HA ASN 25 HA ASN 25 -9.373 -9.003 8.598 105 1HB ASN 25 HB2 ASN 25 -9.226 -9.887 6.371 106 2HB ASN 25 HB1 ASN 25 -7.658 -9.130 6.121 107 1HD2 ASN 25 HD21 ASN 25 -9.394 -11.673 7.733 108 2HD2 ASN 25 HD22 ASN 25 -8.027 -12.630 8.135 109 H MET 26 HN MET 26 -7.037 -6.612 7.610 110 HA MET 26 HA MET 26 -5.008 -5.966 8.345 111 1HB MET 26 HB2 MET 26 -6.190 -5.545 10.562 112 2HB MET 26 HB1 MET 26 -5.914 -7.230 10.900 113 1HG MET 26 HG2 MET 26 -3.496 -6.893 11.054 114 2HG MET 26 HG1 MET 26 -3.686 -5.250 10.490 115 1HE MET 26 HE1 MET 26 -2.040 -6.155 13.055 116 2HE MET 26 HE2 MET 26 -2.465 -4.846 14.162 117 3HE MET 26 HE3 MET 26 -2.150 -4.499 12.461 118 H TYR 27 HN TYR 27 -3.518 -6.937 7.219 119 HA TYR 27 HA TYR 27 -2.928 -9.692 7.873 120 1HB TYR 27 HB2 TYR 27 -2.511 -8.028 5.477 121 2HB TYR 27 HB1 TYR 27 -1.451 -9.403 5.675 122 HD1 TYR 27 HD1 TYR 27 -2.490 -11.754 5.424 123 HD2 TYR 27 HD2 TYR 27 -4.870 -8.209 4.944 124 HE1 TYR 27 HE1 TYR 27 -4.231 -13.053 4.370 125 HE2 TYR 27 HE2 TYR 27 -6.615 -9.551 3.898 126 HH TYR 27 HH TYR 27 -6.752 -12.857 4.069 127 H LYS 28 HN LYS 28 -0.569 -7.365 6.558 128 HA LYS 28 HA LYS 28 1.048 -8.022 8.897 129 1HB LYS 28 HB2 LYS 28 3.038 -8.409 7.537 130 2HB LYS 28 HB1 LYS 28 1.743 -9.563 7.244 131 1HG LYS 28 HG2 LYS 28 1.222 -8.492 5.118 132 2HG LYS 28 HG1 LYS 28 2.355 -7.206 5.493 133 1HD LYS 28 HD2 LYS 28 3.251 -8.970 3.928 134 2HD LYS 28 HD1 LYS 28 4.257 -8.584 5.325 135 1HE LYS 28 HE2 LYS 28 3.164 -10.606 6.444 136 2HE LYS 28 HE1 LYS 28 2.516 -11.001 4.859 137 1HZ LYS 28 HZ1 LYS 28 4.618 -12.159 5.405 138 2HZ LYS 28 HZ2 LYS 28 5.451 -10.701 5.317 139 3HZ LYS 28 HZ3 LYS 28 4.660 -11.325 3.973 140 H SER 29 HN SER 29 2.991 -6.753 9.148 141 HA SER 29 HA SER 29 2.443 -3.982 8.423 142 1HB SER 29 HB2 SER 29 2.285 -4.701 10.847 143 2HB SER 29 HB1 SER 29 4.003 -5.073 10.779 144 HG SER 29 HG SER 29 3.214 -2.576 9.896 145 H ILE 30 HN ILE 30 4.131 -2.758 7.556 146 HA ILE 30 HA ILE 30 6.771 -4.061 7.042 147 HB ILE 30 HB ILE 30 5.535 -2.112 5.116 148 1HG1 ILE 30 HG12 ILE 30 3.747 -3.552 4.969 149 2HG1 ILE 30 HG11 ILE 30 4.660 -3.748 3.550 150 1HG2 ILE 30 HG21 ILE 30 7.935 -2.835 4.398 151 2HG2 ILE 30 HG22 ILE 30 6.726 -3.450 3.285 152 3HG2 ILE 30 HG23 ILE 30 7.360 -4.515 4.443 153 1HD1 ILE 30 HD11 ILE 30 4.618 -5.953 5.713 154 2HD1 ILE 30 HD12 ILE 30 5.690 -5.887 4.329 155 3HD1 ILE 30 HD13 ILE 30 3.995 -6.013 4.068 156 H LEU 31 HN LEU 31 8.512 -2.687 7.383 157 HA LEU 31 HA LEU 31 7.836 -0.037 8.261 158 1HB LEU 31 HB2 LEU 31 9.153 -1.433 9.704 159 2HB LEU 31 HB1 LEU 31 10.344 -1.771 8.481 160 HG LEU 31 HG LEU 31 9.874 1.006 9.593 161 1HD1 LEU 31 HD11 LEU 31 12.087 -1.055 10.436 162 2HD1 LEU 31 HD12 LEU 31 10.921 -0.434 11.581 163 3HD1 LEU 31 HD13 LEU 31 12.147 0.596 10.915 164 1HD2 LEU 31 HD21 LEU 31 12.064 1.543 8.618 165 2HD2 LEU 31 HD22 LEU 31 10.949 0.820 7.425 166 3HD2 LEU 31 HD23 LEU 31 12.236 -0.147 8.113 167 H VAL 32 HN VAL 32 8.250 1.647 6.988 168 HA VAL 32 HA VAL 32 9.586 1.100 4.437 169 HB VAL 32 HB VAL 32 7.206 1.333 4.189 170 1HG1 VAL 32 HG11 VAL 32 7.592 4.131 5.415 171 2HG1 VAL 32 HG12 VAL 32 6.658 2.897 6.191 172 3HG1 VAL 32 HG13 VAL 32 6.052 3.706 4.739 173 1HG2 VAL 32 HG21 VAL 32 6.986 3.259 2.451 174 2HG2 VAL 32 HG22 VAL 32 8.433 2.398 2.100 175 3HG2 VAL 32 HG23 VAL 32 8.472 3.916 2.995 176 H THR 33 HN THR 33 11.202 2.688 3.755 177 HA THR 33 HA THR 33 11.537 4.947 5.584 178 HB THR 33 HB THR 33 13.845 5.046 4.483 179 HG1 THR 33 HG1 THR 33 14.495 3.477 3.166 180 1HG2 THR 33 HG21 THR 33 13.314 2.346 6.006 181 2HG2 THR 33 HG22 THR 33 13.965 3.766 6.794 182 3HG2 THR 33 HG23 THR 33 14.883 2.909 5.621 183 H SER 34 HN SER 34 12.273 7.016 4.471 184 HA SER 34 HA SER 34 10.306 7.646 2.483 185 1HB SER 34 HB2 SER 34 11.301 9.990 2.676 186 2HB SER 34 HB1 SER 34 10.757 9.396 4.233 187 HG SER 34 HG SER 34 12.869 8.772 4.669 188 H GLN 35 HN GLN 35 13.399 6.476 2.083 189 HA GLN 35 HA GLN 35 14.215 8.063 -0.131 190 1HB GLN 35 HB2 GLN 35 15.791 6.782 1.321 191 2HB GLN 35 HB1 GLN 35 15.184 5.302 0.591 192 1HG GLN 35 HG2 GLN 35 15.941 6.128 -1.606 193 2HG GLN 35 HG1 GLN 35 16.627 7.530 -0.799 194 1HE2 GLN 35 HE21 GLN 35 16.692 4.283 0.506 195 2HE2 GLN 35 HE22 GLN 35 18.378 4.034 0.324 196 H ASP 36 HN ASP 36 12.054 5.427 0.092 197 HA ASP 36 HA ASP 36 12.514 4.818 -2.760 198 1HB ASP 36 HB2 ASP 36 12.588 3.016 -0.857 199 2HB ASP 36 HB1 ASP 36 10.844 3.045 -1.027 200 H LYS 37 HN LYS 37 10.449 3.972 -3.822 201 HA LYS 37 HA LYS 37 8.674 6.347 -3.775 202 1HB LYS 37 HB2 LYS 37 10.214 5.224 -5.854 203 2HB LYS 37 HB1 LYS 37 8.629 4.593 -6.086 204 1HG LYS 37 HG2 LYS 37 7.680 6.867 -6.447 205 2HG LYS 37 HG1 LYS 37 9.282 7.579 -6.195 206 1HD LYS 37 HD2 LYS 37 10.116 6.241 -8.019 207 2HD LYS 37 HD1 LYS 37 8.478 5.657 -8.301 208 1HE LYS 37 HE2 LYS 37 9.241 8.557 -8.269 209 2HE LYS 37 HE1 LYS 37 9.177 7.570 -9.721 210 1HZ LYS 37 HZ1 LYS 37 6.795 7.179 -9.225 211 2HZ LYS 37 HZ2 LYS 37 7.177 8.773 -9.537 212 3HZ LYS 37 HZ3 LYS 37 6.874 8.313 -7.970 213 H ALA 38 HN ALA 38 6.491 5.912 -4.657 214 HA ALA 38 HA ALA 38 5.386 3.891 -2.987 215 1HB ALA 38 HB1 ALA 38 3.993 6.087 -3.244 216 2HB ALA 38 HB2 ALA 38 3.030 4.674 -3.575 217 3HB ALA 38 HB3 ALA 38 3.613 5.606 -4.880 218 HA PRO 39 HA PRO 39 4.021 1.625 -7.172 219 1HB PRO 39 HB2 PRO 39 6.136 1.546 -8.929 220 2HB PRO 39 HB1 PRO 39 4.778 2.671 -9.085 221 1HG PRO 39 HG2 PRO 39 7.434 3.110 -7.753 222 2HG PRO 39 HG1 PRO 39 6.627 4.130 -8.970 223 1HD PRO 39 HD2 PRO 39 6.420 4.862 -6.484 224 2HD PRO 39 HD1 PRO 39 4.949 4.737 -7.500 225 H ALA 40 HN ALA 40 7.377 1.908 -6.153 226 HA ALA 40 HA ALA 40 7.815 -0.898 -6.434 227 1HB ALA 40 HB1 ALA 40 9.887 0.661 -6.505 228 2HB ALA 40 HB2 ALA 40 10.075 -0.551 -5.258 229 3HB ALA 40 HB3 ALA 40 9.604 1.043 -4.826 230 H VAL 41 HN VAL 41 6.884 1.159 -3.767 231 HA VAL 41 HA VAL 41 6.973 -0.976 -1.822 232 HB VAL 41 HB VAL 41 5.262 1.521 -1.731 233 1HG1 VAL 41 HG11 VAL 41 4.336 -0.279 -0.157 234 2HG1 VAL 41 HG12 VAL 41 4.847 0.964 0.891 235 3HG1 VAL 41 HG13 VAL 41 5.825 -0.461 0.675 236 1HG2 VAL 41 HG21 VAL 41 8.119 1.227 -0.331 237 2HG2 VAL 41 HG22 VAL 41 7.124 2.591 -0.062 238 3HG2 VAL 41 HG23 VAL 41 7.729 2.310 -1.617 239 H ILE 42 HN ILE 42 4.627 0.175 -3.993 240 HA ILE 42 HA ILE 42 2.360 -1.270 -3.133 241 HB ILE 42 HB ILE 42 3.115 -1.020 -6.030 242 1HG1 ILE 42 HG12 ILE 42 2.097 1.180 -4.309 243 2HG1 ILE 42 HG11 ILE 42 2.888 1.205 -5.792 244 1HG2 ILE 42 HG21 ILE 42 0.285 -1.429 -4.786 245 2HG2 ILE 42 HG22 ILE 42 1.131 -2.676 -5.650 246 3HG2 ILE 42 HG23 ILE 42 0.512 -1.274 -6.503 247 1HD1 ILE 42 HD11 ILE 42 -0.081 0.736 -5.889 248 2HD1 ILE 42 HD12 ILE 42 1.042 0.849 -7.210 249 3HD1 ILE 42 HD13 ILE 42 0.723 2.268 -6.256 250 H ARG 43 HN ARG 43 4.958 -2.169 -5.303 251 HA ARG 43 HA ARG 43 4.084 -4.768 -5.753 252 1HB ARG 43 HB2 ARG 43 6.134 -3.273 -6.682 253 2HB ARG 43 HB1 ARG 43 6.943 -4.530 -5.797 254 1HG ARG 43 HG2 ARG 43 5.716 -6.395 -6.916 255 2HG ARG 43 HG1 ARG 43 4.771 -5.223 -7.744 256 1HD ARG 43 HD2 ARG 43 6.409 -6.295 -9.213 257 2HD ARG 43 HD1 ARG 43 6.609 -4.584 -9.141 258 HE ARG 43 HE ARG 43 8.518 -5.020 -7.575 259 1HH1 ARG 43 HH11 ARG 43 7.437 -7.642 -9.677 260 2HH1 ARG 43 HH12 ARG 43 8.818 -8.604 -9.428 261 1HH2 ARG 43 HH21 ARG 43 10.439 -6.283 -7.305 262 2HH2 ARG 43 HH22 ARG 43 10.587 -7.795 -8.095 263 H LYS 44 HN LYS 44 6.446 -3.423 -3.513 264 HA LYS 44 HA LYS 44 7.512 -5.793 -2.431 265 1HB LYS 44 HB2 LYS 44 7.096 -3.244 -0.899 266 2HB LYS 44 HB1 LYS 44 8.274 -4.493 -0.559 267 1HG LYS 44 HG2 LYS 44 8.253 -2.751 -3.001 268 2HG LYS 44 HG1 LYS 44 9.322 -2.541 -1.602 269 1HD LYS 44 HD2 LYS 44 10.304 -4.635 -2.023 270 2HD LYS 44 HD1 LYS 44 9.222 -4.988 -3.368 271 1HE LYS 44 HE2 LYS 44 11.199 -3.989 -4.613 272 2HE LYS 44 HE1 LYS 44 10.015 -2.743 -4.404 273 1HZ LYS 44 HZ1 LYS 44 12.266 -2.065 -3.853 274 2HZ LYS 44 HZ2 LYS 44 12.208 -3.037 -2.477 275 3HZ LYS 44 HZ3 LYS 44 11.123 -1.754 -2.655 276 H ALA 45 HN ALA 45 4.833 -3.875 -1.410 277 HA ALA 45 HA ALA 45 4.443 -5.524 0.928 278 1HB ALA 45 HB1 ALA 45 2.428 -3.426 -0.145 279 2HB ALA 45 HB2 ALA 45 3.675 -3.033 1.001 280 3HB ALA 45 HB3 ALA 45 2.377 -4.119 1.443 281 H MET 46 HN MET 46 2.908 -5.405 -2.213 282 HA MET 46 HA MET 46 1.183 -7.550 -1.524 283 1HB MET 46 HB2 MET 46 0.501 -7.714 -3.835 284 2HB MET 46 HB1 MET 46 0.636 -6.031 -3.386 285 1HG MET 46 HG2 MET 46 2.629 -5.748 -4.765 286 2HG MET 46 HG1 MET 46 2.761 -7.501 -5.014 287 1HE MET 46 HE1 MET 46 1.000 -8.803 -6.553 288 2HE MET 46 HE2 MET 46 -0.320 -8.007 -7.405 289 3HE MET 46 HE3 MET 46 -0.369 -8.148 -5.651 290 H ASP 47 HN ASP 47 4.380 -7.391 -2.904 291 HA ASP 47 HA ASP 47 5.025 -9.985 -3.669 292 1HB ASP 47 HB2 ASP 47 6.466 -7.706 -3.508 293 2HB ASP 47 HB1 ASP 47 6.690 -8.328 -1.937 294 H LYS 48 HN LYS 48 5.077 -8.352 -0.682 295 HA LYS 48 HA LYS 48 6.243 -10.220 0.998 296 1HB LYS 48 HB2 LYS 48 5.228 -7.662 1.135 297 2HB LYS 48 HB1 LYS 48 4.333 -8.585 2.302 298 1HG LYS 48 HG2 LYS 48 6.385 -7.414 3.189 299 2HG LYS 48 HG1 LYS 48 6.197 -9.096 3.642 300 1HD LYS 48 HD2 LYS 48 8.510 -8.558 3.040 301 2HD LYS 48 HD1 LYS 48 7.850 -9.726 1.940 302 1HE LYS 48 HE2 LYS 48 7.510 -8.020 0.202 303 2HE LYS 48 HE1 LYS 48 8.023 -6.741 1.286 304 1HZ LYS 48 HZ1 LYS 48 9.677 -9.004 0.334 305 2HZ LYS 48 HZ2 LYS 48 10.173 -7.811 1.412 306 3HZ LYS 48 HZ3 LYS 48 9.798 -7.391 -0.169 307 H HIS 49 HN HIS 49 3.092 -10.018 -0.200 308 HA HIS 49 HA HIS 49 1.989 -11.939 1.755 309 1HB HIS 49 HB2 HIS 49 0.639 -10.462 -0.528 310 2HB HIS 49 HB1 HIS 49 -0.150 -11.704 0.429 311 HD2 HIS 49 HD2 HIS 49 1.841 -8.559 1.766 312 HE1 HIS 49 HE1 HIS 49 -2.108 -8.503 3.266 313 HE2 HIS 49 HE2 HIS 49 0.026 -7.225 2.999 314 H ASN 50 HN ASN 50 3.819 -12.130 -0.941 315 HA ASN 50 HA ASN 50 4.363 -13.584 -2.451 316 1HB ASN 50 HB2 ASN 50 4.362 -15.362 -0.736 317 2HB ASN 50 HB1 ASN 50 2.631 -15.585 -0.948 318 1HD2 ASN 50 HD21 ASN 50 5.775 -16.109 -2.375 319 2HD2 ASN 50 HD22 ASN 50 5.278 -17.252 -3.568 320 H LEU 51 HN LEU 51 3.442 -12.261 -3.775 321 HA LEU 51 HA LEU 51 1.150 -13.321 -5.288 322 1HB LEU 51 HB2 LEU 51 1.549 -10.498 -4.302 323 2HB LEU 51 HB1 LEU 51 0.430 -10.861 -5.579 324 HG LEU 51 HG LEU 51 0.305 -11.933 -2.780 325 1HD1 LEU 51 HD11 LEU 51 -1.366 -9.783 -4.251 326 2HD1 LEU 51 HD12 LEU 51 -0.301 -9.381 -2.935 327 3HD1 LEU 51 HD13 LEU 51 -1.777 -10.293 -2.638 328 1HD2 LEU 51 HD21 LEU 51 -1.995 -12.653 -3.417 329 2HD2 LEU 51 HD22 LEU 51 -0.726 -13.450 -4.340 330 3HD2 LEU 51 HD23 LEU 51 -1.659 -12.145 -5.072 331 H GLU 52 HN GLU 52 3.362 -14.006 -5.996 332 HA GLU 52 HA GLU 52 4.946 -12.300 -7.630 333 1HB GLU 52 HB2 GLU 52 4.651 -15.308 -7.854 334 2HB GLU 52 HB1 GLU 52 5.938 -14.342 -8.545 335 1HG GLU 52 HG2 GLU 52 5.510 -14.999 -5.600 336 2HG GLU 52 HG1 GLU 52 6.808 -15.435 -6.673 337 H GLU 53 HN GLU 53 2.038 -14.036 -8.102 338 HA GLU 53 HA GLU 53 2.177 -14.368 -10.977 339 1HB GLU 53 HB2 GLU 53 0.029 -15.378 -10.797 340 2HB GLU 53 HB1 GLU 53 0.965 -15.901 -9.404 341 1HG GLU 53 HG2 GLU 53 -0.237 -13.922 -8.154 342 2HG GLU 53 HG1 GLU 53 -1.235 -13.916 -9.551 343 H GLU 54 HN GLU 54 1.421 -11.751 -9.050 344 HA GLU 54 HA GLU 54 -0.068 -10.543 -11.175 345 1HB GLU 54 HB2 GLU 54 -1.684 -9.631 -9.376 346 2HB GLU 54 HB1 GLU 54 -1.918 -11.273 -9.935 347 1HG GLU 54 HG2 GLU 54 -0.875 -12.094 -7.943 348 2HG GLU 54 HG1 GLU 54 -0.584 -10.435 -7.355 349 H GLU 55 HN GLU 55 -0.046 -8.195 -11.087 350 HA GLU 55 HA GLU 55 2.250 -7.269 -9.538 351 1HB GLU 55 HB2 GLU 55 1.583 -7.197 -12.358 352 2HB GLU 55 HB1 GLU 55 2.499 -5.840 -11.708 353 1HG GLU 55 HG2 GLU 55 4.212 -7.345 -10.935 354 2HG GLU 55 HG1 GLU 55 3.363 -8.743 -11.562 355 HA PRO 56 HA PRO 56 0.170 -3.337 -8.677 356 1HB PRO 56 HB2 PRO 56 2.730 -2.185 -9.820 357 2HB PRO 56 HB1 PRO 56 1.937 -1.812 -8.258 358 1HG PRO 56 HG2 PRO 56 4.079 -3.234 -8.408 359 2HG PRO 56 HG1 PRO 56 2.771 -3.834 -7.376 360 1HD PRO 56 HD2 PRO 56 3.457 -4.651 -10.200 361 2HD PRO 56 HD1 PRO 56 3.142 -5.688 -8.774 362 H GLU 57 HN GLU 57 1.318 -4.203 -11.760 363 HA GLU 57 HA GLU 57 0.461 -2.091 -13.364 364 1HB GLU 57 HB2 GLU 57 0.196 -5.028 -14.015 365 2HB GLU 57 HB1 GLU 57 0.275 -3.705 -15.167 366 1HG GLU 57 HG2 GLU 57 2.483 -4.670 -13.363 367 2HG GLU 57 HG1 GLU 57 2.378 -4.867 -15.106 368 H ASP 58 HN ASP 58 -1.323 -4.722 -11.828 369 HA ASP 58 HA ASP 58 -3.855 -3.860 -13.023 370 1HB ASP 58 HB2 ASP 58 -3.221 -6.184 -11.177 371 2HB ASP 58 HB1 ASP 58 -4.820 -5.800 -11.773 372 H TYR 59 HN TYR 59 -2.056 -3.331 -10.140 373 HA TYR 59 HA TYR 59 -4.526 -2.706 -8.615 374 1HB TYR 59 HB2 TYR 59 -1.959 -3.756 -7.642 375 2HB TYR 59 HB1 TYR 59 -3.318 -3.329 -6.599 376 HD1 TYR 59 HD1 TYR 59 -1.948 -5.798 -8.893 377 HD2 TYR 59 HD2 TYR 59 -5.299 -4.822 -6.489 378 HE1 TYR 59 HE1 TYR 59 -2.803 -8.080 -9.156 379 HE2 TYR 59 HE2 TYR 59 -6.154 -7.105 -6.749 380 HH TYR 59 HH TYR 59 -4.297 -9.551 -7.745 381 H GLU 60 HN GLU 60 -4.198 -1.298 -6.832 382 HA GLU 60 HA GLU 60 -1.892 0.481 -6.924 383 1HB GLU 60 HB2 GLU 60 -4.786 1.332 -6.832 384 2HB GLU 60 HB1 GLU 60 -3.448 2.387 -6.419 385 1HG GLU 60 HG2 GLU 60 -3.872 1.093 -9.096 386 2HG GLU 60 HG1 GLU 60 -4.352 2.733 -8.674 387 H LEU 61 HN LEU 61 -1.641 1.547 -4.893 388 HA LEU 61 HA LEU 61 -2.833 0.010 -2.759 389 1HB LEU 61 HB2 LEU 61 -0.851 -0.511 -2.083 390 2HB LEU 61 HB1 LEU 61 -0.194 0.370 -3.398 391 HG LEU 61 HG LEU 61 -0.627 1.764 -0.756 392 1HD1 LEU 61 HD11 LEU 61 1.998 1.083 -0.132 393 2HD1 LEU 61 HD12 LEU 61 1.952 0.015 -1.481 394 3HD1 LEU 61 HD13 LEU 61 0.957 -0.287 -0.156 395 1HD2 LEU 61 HD21 LEU 61 1.560 2.527 -2.920 396 2HD2 LEU 61 HD22 LEU 61 1.015 3.460 -1.552 397 3HD2 LEU 61 HD23 LEU 61 -0.051 3.136 -2.807 398 H LEU 62 HN LEU 62 -4.065 0.775 -1.347 399 HA LEU 62 HA LEU 62 -4.743 3.626 -1.591 400 1HB LEU 62 HB2 LEU 62 -6.134 1.568 -2.457 401 2HB LEU 62 HB1 LEU 62 -6.557 1.358 -0.814 402 HG LEU 62 HG LEU 62 -7.302 3.807 -2.440 403 1HD1 LEU 62 HD11 LEU 62 -9.611 2.924 -2.163 404 2HD1 LEU 62 HD12 LEU 62 -8.903 1.382 -1.687 405 3HD1 LEU 62 HD13 LEU 62 -8.567 2.087 -3.283 406 1HD2 LEU 62 HD21 LEU 62 -8.828 4.425 -0.498 407 2HD2 LEU 62 HD22 LEU 62 -7.218 4.272 0.185 408 3HD2 LEU 62 HD23 LEU 62 -8.350 2.968 0.293 409 H GLN 63 HN GLN 63 -4.767 4.750 0.454 410 HA GLN 63 HA GLN 63 -4.340 3.272 2.877 411 1HB GLN 63 HB2 GLN 63 -4.358 6.067 2.115 412 2HB GLN 63 HB1 GLN 63 -4.638 5.678 3.840 413 1HG GLN 63 HG2 GLN 63 -2.533 4.238 3.570 414 2HG GLN 63 HG1 GLN 63 -2.261 5.158 2.123 415 1HE2 GLN 63 HE21 GLN 63 -3.216 7.791 3.399 416 2HE2 GLN 63 HE22 GLN 63 -1.835 8.211 4.311 417 H ILE 64 HN ILE 64 -5.683 2.955 4.317 418 HA ILE 64 HA ILE 64 -8.334 4.134 4.144 419 HB ILE 64 HB ILE 64 -7.577 1.314 4.555 420 1HG1 ILE 64 HG12 ILE 64 -10.111 1.652 3.202 421 2HG1 ILE 64 HG11 ILE 64 -9.135 2.995 2.887 422 1HG2 ILE 64 HG21 ILE 64 -8.910 1.927 6.757 423 2HG2 ILE 64 HG22 ILE 64 -9.844 0.807 5.837 424 3HG2 ILE 64 HG23 ILE 64 -10.226 2.506 5.788 425 1HD1 ILE 64 HD11 ILE 64 -8.944 1.221 1.248 426 2HD1 ILE 64 HD12 ILE 64 -8.047 0.297 2.453 427 3HD1 ILE 64 HD13 ILE 64 -7.431 1.852 1.889 428 H LEU 65 HN LEU 65 -8.956 5.219 5.873 429 HA LEU 65 HA LEU 65 -7.044 5.161 8.017 430 1HB LEU 65 HB2 LEU 65 -9.112 7.200 7.229 431 2HB LEU 65 HB1 LEU 65 -8.336 7.191 8.748 432 HG LEU 65 HG LEU 65 -6.122 7.414 7.730 433 1HD1 LEU 65 HD11 LEU 65 -7.518 8.037 4.940 434 2HD1 LEU 65 HD12 LEU 65 -6.365 6.777 5.246 435 3HD1 LEU 65 HD13 LEU 65 -5.862 8.366 5.216 436 1HD2 LEU 65 HD21 LEU 65 -6.371 10.117 7.451 437 2HD2 LEU 65 HD22 LEU 65 -7.162 9.472 8.810 438 3HD2 LEU 65 HD23 LEU 65 -8.086 9.826 7.427 439 H SER 66 HN SER 66 -10.369 6.096 7.845 440 HA SER 66 HA SER 66 -11.210 3.778 9.362 441 1HB SER 66 HB2 SER 66 -11.034 5.887 10.812 442 2HB SER 66 HB1 SER 66 -12.227 6.618 9.742 443 HG SER 66 HG SER 66 -12.488 4.699 11.678 444 H ASP 67 HN ASP 67 -13.910 4.154 9.029 445 HA ASP 67 HA ASP 67 -13.943 4.143 6.176 446 1HB ASP 67 HB2 ASP 67 -15.262 2.424 7.417 447 2HB ASP 67 HB1 ASP 67 -16.385 3.706 7.892 448 H ASP 68 HN ASP 68 -13.486 6.397 5.873 449 HA ASP 68 HA ASP 68 -15.714 8.146 5.716 450 1HB ASP 68 HB2 ASP 68 -15.220 8.449 8.105 451 2HB ASP 68 HB1 ASP 68 -13.531 8.751 7.735 452 H ARG 69 HN ARG 69 -12.107 8.321 6.084 453 HA ARG 69 HA ARG 69 -12.139 9.406 3.390 454 1HB ARG 69 HB2 ARG 69 -10.077 9.819 5.559 455 2HB ARG 69 HB1 ARG 69 -9.908 10.396 3.906 456 1HG ARG 69 HG2 ARG 69 -11.976 11.730 4.227 457 2HG ARG 69 HG1 ARG 69 -11.977 11.256 5.920 458 1HD ARG 69 HD2 ARG 69 -9.856 12.833 4.479 459 2HD ARG 69 HD1 ARG 69 -10.985 13.441 5.680 460 HE ARG 69 HE ARG 69 -8.540 12.046 6.087 461 1HH1 ARG 69 HH11 ARG 69 -11.693 12.583 7.625 462 2HH1 ARG 69 HH12 ARG 69 -11.066 12.621 9.209 463 1HH2 ARG 69 HH21 ARG 69 -7.690 12.183 8.292 464 2HH2 ARG 69 HH22 ARG 69 -8.771 12.416 9.594 465 H LYS 70 HN LYS 70 -11.333 8.186 1.850 466 HA LYS 70 HA LYS 70 -9.369 6.114 2.518 467 1HB LYS 70 HB2 LYS 70 -11.294 6.069 0.154 468 2HB LYS 70 HB1 LYS 70 -10.308 4.746 0.746 469 1HG LYS 70 HG2 LYS 70 -12.610 5.956 2.185 470 2HG LYS 70 HG1 LYS 70 -12.722 4.505 1.187 471 1HD LYS 70 HD2 LYS 70 -11.179 3.338 2.612 472 2HD LYS 70 HD1 LYS 70 -10.941 4.748 3.635 473 1HE LYS 70 HE2 LYS 70 -12.448 3.052 4.650 474 2HE LYS 70 HE1 LYS 70 -13.368 4.512 4.418 475 1HZ LYS 70 HZ1 LYS 70 -14.636 2.637 3.771 476 2HZ LYS 70 HZ2 LYS 70 -13.443 2.064 2.728 477 3HZ LYS 70 HZ3 LYS 70 -14.270 3.479 2.361 478 H LEU 71 HN LEU 71 -7.525 6.227 1.140 479 HA LEU 71 HA LEU 71 -7.496 8.472 -0.817 480 1HB LEU 71 HB2 LEU 71 -5.426 7.772 1.208 481 2HB LEU 71 HB1 LEU 71 -5.289 9.102 0.099 482 HG LEU 71 HG LEU 71 -7.260 8.797 2.379 483 1HD1 LEU 71 HD11 LEU 71 -4.892 10.644 2.052 484 2HD1 LEU 71 HD12 LEU 71 -4.997 9.254 3.135 485 3HD1 LEU 71 HD13 LEU 71 -6.021 10.665 3.406 486 1HD2 LEU 71 HD21 LEU 71 -7.966 11.103 1.987 487 2HD2 LEU 71 HD22 LEU 71 -8.304 10.127 0.571 488 3HD2 LEU 71 HD23 LEU 71 -6.942 11.249 0.571 489 H LYS 72 HN LYS 72 -6.252 7.999 -2.681 490 HA LYS 72 HA LYS 72 -5.060 5.324 -2.675 491 1HB LYS 72 HB2 LYS 72 -5.943 7.062 -4.971 492 2HB LYS 72 HB1 LYS 72 -4.816 5.758 -5.216 493 1HG LYS 72 HG2 LYS 72 -6.890 4.812 -5.820 494 2HG LYS 72 HG1 LYS 72 -6.559 4.211 -4.214 495 1HD LYS 72 HD2 LYS 72 -8.907 4.870 -4.536 496 2HD LYS 72 HD1 LYS 72 -8.177 5.808 -3.251 497 1HE LYS 72 HE2 LYS 72 -7.818 7.643 -4.820 498 2HE LYS 72 HE1 LYS 72 -8.553 6.694 -6.120 499 1HZ LYS 72 HZ1 LYS 72 -9.874 7.625 -3.633 500 2HZ LYS 72 HZ2 LYS 72 -10.621 6.720 -4.827 501 3HZ LYS 72 HZ3 LYS 72 -10.079 8.276 -5.164 502 H ILE 73 HN ILE 73 -2.927 5.009 -2.934 503 HA ILE 73 HA ILE 73 -1.262 7.438 -3.000 504 HB ILE 73 HB ILE 73 -0.698 4.634 -2.146 505 1HG1 ILE 73 HG12 ILE 73 -2.310 5.197 -0.670 506 2HG1 ILE 73 HG11 ILE 73 -0.835 5.236 0.211 507 1HG2 ILE 73 HG21 ILE 73 1.510 5.828 -2.540 508 2HG2 ILE 73 HG22 ILE 73 1.378 5.644 -0.822 509 3HG2 ILE 73 HG23 ILE 73 1.059 7.179 -1.547 510 1HD1 ILE 73 HD11 ILE 73 -2.348 7.249 1.019 511 2HD1 ILE 73 HD12 ILE 73 -2.491 7.850 -0.558 512 3HD1 ILE 73 HD13 ILE 73 -0.968 7.943 0.257 513 HA PRO 74 HA PRO 74 -0.091 5.400 -6.864 514 1HB PRO 74 HB2 PRO 74 -0.340 7.350 -8.438 515 2HB PRO 74 HB1 PRO 74 -1.752 6.884 -7.503 516 1HG PRO 74 HG2 PRO 74 0.141 9.161 -6.996 517 2HG PRO 74 HG1 PRO 74 -1.618 9.200 -6.916 518 1HD PRO 74 HD2 PRO 74 0.109 8.744 -4.702 519 2HD PRO 74 HD1 PRO 74 -1.638 8.430 -4.754 520 H GLU 75 HN GLU 75 1.279 6.206 -8.686 521 HA GLU 75 HA GLU 75 3.932 6.257 -8.283 522 1HB GLU 75 HB2 GLU 75 2.115 6.746 -10.469 523 2HB GLU 75 HB1 GLU 75 3.682 7.524 -10.636 524 1HG GLU 75 HG2 GLU 75 3.545 4.634 -9.868 525 2HG GLU 75 HG1 GLU 75 3.397 5.137 -11.560 526 H ASN 76 HN ASN 76 1.940 9.210 -8.852 527 HA ASN 76 HA ASN 76 4.327 10.793 -8.932 528 1HB ASN 76 HB2 ASN 76 1.442 11.701 -8.965 529 2HB ASN 76 HB1 ASN 76 2.866 12.638 -9.330 530 1HD2 ASN 76 HD21 ASN 76 4.146 10.409 -10.911 531 2HD2 ASN 76 HD22 ASN 76 3.211 10.326 -12.354 532 H ALA 77 HN ALA 77 2.845 9.501 -6.337 533 HA ALA 77 HA ALA 77 3.396 11.951 -4.814 534 1HB ALA 77 HB1 ALA 77 1.571 11.381 -3.142 535 2HB ALA 77 HB2 ALA 77 1.467 9.808 -3.803 536 3HB ALA 77 HB3 ALA 77 0.850 11.147 -4.735 537 H ASN 78 HN ASN 78 4.729 11.876 -3.155 538 HA ASN 78 HA ASN 78 6.421 9.583 -2.844 539 1HB ASN 78 HB2 ASN 78 6.434 12.258 -1.337 540 2HB ASN 78 HB1 ASN 78 7.454 10.940 -0.897 541 1HD2 ASN 78 HD21 ASN 78 6.800 11.154 -4.249 542 2HD2 ASN 78 HD22 ASN 78 8.312 11.840 -4.714 543 H VAL 79 HN VAL 79 6.524 8.147 -1.131 544 HA VAL 79 HA VAL 79 3.999 7.427 -0.067 545 HB VAL 79 HB VAL 79 6.720 6.532 0.893 546 1HG1 VAL 79 HG11 VAL 79 3.968 5.155 1.495 547 2HG1 VAL 79 HG12 VAL 79 4.898 5.976 2.706 548 3HG1 VAL 79 HG13 VAL 79 5.477 4.478 2.016 549 1HG2 VAL 79 HG21 VAL 79 4.799 4.997 -1.013 550 2HG2 VAL 79 HG22 VAL 79 6.214 4.297 -0.377 551 3HG2 VAL 79 HG23 VAL 79 6.367 5.607 -1.496 552 H PHE 80 HN PHE 80 6.706 8.937 1.518 553 HA PHE 80 HA PHE 80 5.649 8.896 4.156 554 1HB PHE 80 HB2 PHE 80 7.911 10.115 2.811 555 2HB PHE 80 HB1 PHE 80 7.224 11.104 4.060 556 HD1 PHE 80 HD1 PHE 80 8.458 10.801 6.319 557 HD2 PHE 80 HD2 PHE 80 8.007 7.330 3.666 558 HE1 PHE 80 HE1 PHE 80 9.564 9.413 7.854 559 HE2 PHE 80 HE2 PHE 80 9.130 6.021 5.276 560 HZ PHE 80 HZ PHE 80 9.936 6.991 7.381 561 H TYR 81 HN TYR 81 5.238 11.079 1.551 562 HA TYR 81 HA TYR 81 3.945 12.990 3.292 563 1HB TYR 81 HB2 TYR 81 4.997 12.967 0.588 564 2HB TYR 81 HB1 TYR 81 3.914 14.259 0.986 565 HD1 TYR 81 HD1 TYR 81 7.520 12.943 1.714 566 HD2 TYR 81 HD2 TYR 81 4.617 16.065 2.834 567 HE1 TYR 81 HE1 TYR 81 9.165 14.166 2.847 568 HE2 TYR 81 HE2 TYR 81 6.393 17.195 3.931 569 HH TYR 81 HH TYR 81 8.503 16.700 4.960 570 H ALA 82 HN ALA 82 3.133 10.596 0.918 571 HA ALA 82 HA ALA 82 0.450 11.639 0.657 572 1HB ALA 82 HB1 ALA 82 1.527 10.368 -1.320 573 2HB ALA 82 HB2 ALA 82 0.044 9.566 -0.829 574 3HB ALA 82 HB3 ALA 82 1.579 8.951 -0.314 575 H MET 83 HN MET 83 2.105 9.564 2.802 576 HA MET 83 HA MET 83 -0.258 8.218 3.678 577 1HB MET 83 HB2 MET 83 1.071 7.090 5.302 578 2HB MET 83 HB1 MET 83 1.959 7.208 3.812 579 1HG MET 83 HG2 MET 83 3.682 7.835 5.241 580 2HG MET 83 HG1 MET 83 2.874 9.406 5.127 581 1HE MET 83 HE1 MET 83 1.644 6.173 7.064 582 2HE MET 83 HE2 MET 83 2.310 6.508 8.659 583 3HE MET 83 HE3 MET 83 3.391 6.203 7.300 584 H ASN 84 HN ASN 84 -1.052 8.405 5.923 585 HA ASN 84 HA ASN 84 -1.488 11.224 6.222 586 1HB ASN 84 HB2 ASN 84 -3.249 10.543 7.761 587 2HB ASN 84 HB1 ASN 84 -3.535 10.073 6.104 588 1HD2 ASN 84 HD21 ASN 84 -2.830 7.269 5.878 589 2HD2 ASN 84 HD22 ASN 84 -3.246 6.497 7.316 590 H SER 85 HN SER 85 -0.699 8.530 8.461 591 HA SER 85 HA SER 85 1.113 10.079 9.844 592 1HB SER 85 HB2 SER 85 -0.293 10.190 12.000 593 2HB SER 85 HB1 SER 85 -0.663 11.367 10.733 594 HG SER 85 HG SER 85 -2.221 9.392 10.156 595 H THR 86 HN THR 86 1.225 8.813 12.338 596 HA THR 86 HA THR 86 1.454 6.035 11.728 597 HB THR 86 HB THR 86 1.955 7.517 14.331 598 HG1 THR 86 HG1 THR 86 3.741 7.123 12.124 599 1HG2 THR 86 HG21 THR 86 2.129 4.931 14.397 600 2HG2 THR 86 HG22 THR 86 3.742 5.621 14.586 601 3HG2 THR 86 HG23 THR 86 3.214 5.033 13.039 602 H ALA 87 HN ALA 87 -1.187 7.105 11.700 603 HA ALA 87 HA ALA 87 -2.524 5.611 13.784 604 1HB ALA 87 HB1 ALA 87 -2.342 7.890 14.784 605 2HB ALA 87 HB2 ALA 87 -3.998 7.432 14.443 606 3HB ALA 87 HB3 ALA 87 -3.196 8.574 13.388 607 H ASN 88 HN ASN 88 -4.140 4.546 12.806 608 HA ASN 88 HA ASN 88 -5.431 3.753 11.148 609 1HB ASN 88 HB2 ASN 88 -5.881 6.708 10.562 610 2HB ASN 88 HB1 ASN 88 -6.796 5.403 9.823 611 1HD2 ASN 88 HD21 ASN 88 -7.824 7.526 11.355 612 2HD2 ASN 88 HD22 ASN 88 -8.603 6.849 12.727 613 H TYR 89 HN TYR 89 -3.068 3.460 10.667 614 HA TYR 89 HA TYR 89 -2.260 4.441 8.038 615 1HB TYR 89 HB2 TYR 89 -0.045 3.352 8.598 616 2HB TYR 89 HB1 TYR 89 -0.587 4.729 9.523 617 HD1 TYR 89 HD1 TYR 89 0.597 4.265 12.035 618 HD2 TYR 89 HD2 TYR 89 -1.438 0.955 9.938 619 HE1 TYR 89 HE1 TYR 89 0.878 2.857 13.837 620 HE2 TYR 89 HE2 TYR 89 -1.063 -0.360 11.879 621 HH TYR 89 HH TYR 89 -0.114 0.882 14.846 622 H ASP 90 HN ASP 90 -4.223 2.899 7.229 623 HA ASP 90 HA ASP 90 -3.054 0.177 6.965 624 1HB ASP 90 HB2 ASP 90 -5.420 0.487 8.089 625 2HB ASP 90 HB1 ASP 90 -5.968 0.787 6.453 626 H PHE 91 HN PHE 91 -3.023 -0.765 4.939 627 HA PHE 91 HA PHE 91 -3.618 1.044 2.748 628 1HB PHE 91 HB2 PHE 91 -1.061 -0.597 2.933 629 2HB PHE 91 HB1 PHE 91 -1.605 0.292 1.538 630 HD1 PHE 91 HD1 PHE 91 -0.729 0.883 5.114 631 HD2 PHE 91 HD2 PHE 91 -0.728 2.431 1.161 632 HE1 PHE 91 HE1 PHE 91 0.565 2.711 5.863 633 HE2 PHE 91 HE2 PHE 91 0.685 4.306 1.920 634 HZ PHE 91 HZ PHE 91 1.327 4.472 4.283 635 H VAL 92 HN VAL 92 -4.610 0.018 1.119 636 HA VAL 92 HA VAL 92 -4.984 -2.881 1.308 637 HB VAL 92 HB VAL 92 -6.793 -0.544 0.808 638 1HG1 VAL 92 HG11 VAL 92 -8.686 -2.177 0.093 639 2HG1 VAL 92 HG12 VAL 92 -7.587 -3.488 0.248 640 3HG1 VAL 92 HG13 VAL 92 -7.381 -2.333 -1.078 641 1HG2 VAL 92 HG21 VAL 92 -6.992 -2.948 2.587 642 2HG2 VAL 92 HG22 VAL 92 -8.259 -1.743 2.436 643 3HG2 VAL 92 HG23 VAL 92 -6.666 -1.281 3.052 644 H LEU 93 HN LEU 93 -4.632 -3.945 -0.636 645 HA LEU 93 HA LEU 93 -4.061 -2.190 -2.898 646 1HB LEU 93 HB2 LEU 93 -2.279 -3.560 -3.169 647 2HB LEU 93 HB1 LEU 93 -2.868 -4.636 -1.928 648 HG LEU 93 HG LEU 93 -3.827 -4.781 -4.778 649 1HD1 LEU 93 HD11 LEU 93 -1.847 -6.432 -5.387 650 2HD1 LEU 93 HD12 LEU 93 -1.255 -6.421 -3.800 651 3HD1 LEU 93 HD13 LEU 93 -1.149 -5.000 -4.723 652 1HD2 LEU 93 HD21 LEU 93 -4.361 -7.366 -4.032 653 2HD2 LEU 93 HD22 LEU 93 -5.174 -6.155 -3.119 654 3HD2 LEU 93 HD23 LEU 93 -3.813 -6.874 -2.441 655 H LYS 94 HN LYS 94 -5.527 -1.894 -4.538 656 HA LYS 94 HA LYS 94 -7.655 -3.767 -4.739 657 1HB LYS 94 HB2 LYS 94 -8.564 -1.657 -5.587 658 2HB LYS 94 HB1 LYS 94 -8.757 -1.908 -3.812 659 1HG LYS 94 HG2 LYS 94 -8.090 0.361 -3.919 660 2HG LYS 94 HG1 LYS 94 -6.510 -0.342 -4.151 661 1HD LYS 94 HD2 LYS 94 -6.773 1.307 -5.831 662 2HD LYS 94 HD1 LYS 94 -6.889 -0.255 -6.625 663 1HE LYS 94 HE2 LYS 94 -9.275 1.528 -5.911 664 2HE LYS 94 HE1 LYS 94 -8.513 1.432 -7.474 665 1HZ LYS 94 HZ1 LYS 94 -9.996 -0.810 -6.151 666 2HZ LYS 94 HZ2 LYS 94 -9.316 -0.867 -7.698 667 3HZ LYS 94 HZ3 LYS 94 -10.538 0.195 -7.359 668 H LYS 95 HN LYS 95 -8.386 -4.086 -6.859 669 HA LYS 95 HA LYS 95 -6.413 -3.643 -8.978 670 1HB LYS 95 HB2 LYS 95 -8.265 -5.664 -8.373 671 2HB LYS 95 HB1 LYS 95 -8.982 -4.808 -9.709 672 1HG LYS 95 HG2 LYS 95 -7.098 -5.226 -11.125 673 2HG LYS 95 HG1 LYS 95 -6.193 -5.883 -9.749 674 1HD LYS 95 HD2 LYS 95 -7.828 -7.697 -9.553 675 2HD LYS 95 HD1 LYS 95 -8.738 -7.069 -10.916 676 1HE LYS 95 HE2 LYS 95 -5.892 -8.288 -11.121 677 2HE LYS 95 HE1 LYS 95 -7.380 -8.980 -11.661 678 1HZ LYS 95 HZ1 LYS 95 -7.604 -7.555 -13.383 679 2HZ LYS 95 HZ2 LYS 95 -5.923 -7.734 -13.372 680 3HZ LYS 95 HZ3 LYS 95 -6.635 -6.367 -12.761 681 H ARG 96 HN ARG 96 -6.536 -2.217 -10.549 682 HA ARG 96 HA ARG 96 -8.985 -0.604 -10.733 683 1HB ARG 96 HB2 ARG 96 -6.231 0.057 -11.694 684 2HB ARG 96 HB1 ARG 96 -7.610 1.106 -11.795 685 1HG ARG 96 HG2 ARG 96 -7.643 0.621 -9.226 686 2HG ARG 96 HG1 ARG 96 -5.942 0.368 -9.551 687 1HD ARG 96 HD2 ARG 96 -7.479 2.831 -10.372 688 2HD ARG 96 HD1 ARG 96 -6.274 2.771 -9.092 689 HE ARG 96 HE ARG 96 -5.171 1.801 -11.498 690 1HH1 ARG 96 HH11 ARG 96 -6.214 4.873 -10.115 691 2HH1 ARG 96 HH12 ARG 96 -5.096 5.802 -10.991 692 1HH2 ARG 96 HH21 ARG 96 -3.652 3.052 -12.714 693 2HH2 ARG 96 HH22 ARG 96 -3.561 4.730 -12.471 694 H THR 97 HN THR 97 -7.763 -3.230 -12.266 695 HA THR 97 HA THR 97 -9.274 -2.977 -14.357 696 HB THR 97 HB THR 97 -7.645 -1.252 -15.199 697 HG1 THR 97 HG1 THR 97 -7.652 -3.659 -16.727 698 1HG2 THR 97 HG21 THR 97 -5.408 -2.171 -14.268 699 2HG2 THR 97 HG22 THR 97 -5.296 -2.125 -16.026 700 3HG2 THR 97 HG23 THR 97 -5.678 -3.606 -15.220 Start of MODEL 6 1 1H ASP 11 HT1 ASP 11 13.753 8.042 6.045 2 2H ASP 11 HT2 ASP 11 15.049 7.359 6.878 3 3H ASP 11 HT3 ASP 11 14.705 9.016 7.033 4 HA ASP 11 HA ASP 11 13.966 7.757 8.954 5 1HB ASP 11 HB2 ASP 11 11.827 8.912 7.198 6 2HB ASP 11 HB1 ASP 11 11.586 8.668 8.915 7 H CYS 12 HN CYS 12 12.277 6.142 9.734 8 HA CYS 12 HA CYS 12 11.333 4.467 7.571 9 1HB CYS 12 HB2 CYS 12 11.545 2.569 9.327 10 2HB CYS 12 HB1 CYS 12 13.066 3.219 8.705 11 HG CYS 12 HG CYS 12 11.679 4.252 11.650 12 H CYS 13 HN CYS 13 9.239 3.504 8.036 13 HA CYS 13 HA CYS 13 7.845 4.609 10.334 14 1HB CYS 13 HB2 CYS 13 7.390 6.181 8.477 15 2HB CYS 13 HB1 CYS 13 6.781 4.849 7.497 16 HG CYS 13 HG CYS 13 4.600 4.404 9.348 17 H ILE 14 HN ILE 14 5.938 3.457 10.842 18 HA ILE 14 HA ILE 14 5.983 0.673 9.906 19 HB ILE 14 HB ILE 14 4.959 1.999 12.400 20 1HG1 ILE 14 HG12 ILE 14 7.278 2.005 12.434 21 2HG1 ILE 14 HG11 ILE 14 6.764 0.819 13.581 22 1HG2 ILE 14 HG21 ILE 14 3.632 -0.187 11.847 23 2HG2 ILE 14 HG22 ILE 14 4.645 -0.496 13.260 24 3HG2 ILE 14 HG23 ILE 14 5.181 -0.994 11.683 25 1HD1 ILE 14 HD11 ILE 14 7.283 -1.106 11.882 26 2HD1 ILE 14 HD12 ILE 14 8.759 -0.241 12.179 27 3HD1 ILE 14 HD13 ILE 14 7.846 0.061 10.737 28 H ILE 15 HN ILE 15 4.313 0.108 8.634 29 HA ILE 15 HA ILE 15 1.746 1.615 8.753 30 HB ILE 15 HB ILE 15 1.603 1.482 6.394 31 1HG1 ILE 15 HG12 ILE 15 4.257 -0.033 6.491 32 2HG1 ILE 15 HG11 ILE 15 2.736 -0.668 6.218 33 1HG2 ILE 15 HG21 ILE 15 4.438 2.798 7.140 34 2HG2 ILE 15 HG22 ILE 15 2.987 3.595 7.359 35 3HG2 ILE 15 HG23 ILE 15 3.523 3.372 5.776 36 1HD1 ILE 15 HD11 ILE 15 2.590 0.534 3.820 37 2HD1 ILE 15 HD12 ILE 15 3.803 -0.660 3.899 38 3HD1 ILE 15 HD13 ILE 15 4.284 0.951 3.954 39 H ARG 16 HN ARG 16 -0.068 0.363 7.899 40 HA ARG 16 HA ARG 16 0.380 -2.513 8.254 41 1HB ARG 16 HB2 ARG 16 -1.017 -1.366 9.938 42 2HB ARG 16 HB1 ARG 16 -2.233 -1.042 8.729 43 1HG ARG 16 HG2 ARG 16 -2.174 -3.538 8.230 44 2HG ARG 16 HG1 ARG 16 -1.365 -3.720 9.775 45 1HD ARG 16 HD2 ARG 16 -4.115 -2.600 9.199 46 2HD ARG 16 HD1 ARG 16 -3.729 -4.074 10.015 47 HE ARG 16 HE ARG 16 -2.698 -2.610 11.833 48 1HH1 ARG 16 HH11 ARG 16 -5.333 -1.380 9.812 49 2HH1 ARG 16 HH12 ARG 16 -6.024 -0.465 11.077 50 1HH2 ARG 16 HH21 ARG 16 -3.626 -1.398 13.510 51 2HH2 ARG 16 HH22 ARG 16 -5.050 -0.502 13.243 52 H VAL 17 HN VAL 17 -0.782 -3.982 6.887 53 HA VAL 17 HA VAL 17 -1.890 -2.806 4.424 54 HB VAL 17 HB VAL 17 -0.098 -5.218 4.680 55 1HG1 VAL 17 HG11 VAL 17 -0.031 -5.330 2.069 56 2HG1 VAL 17 HG12 VAL 17 -1.008 -3.938 1.961 57 3HG1 VAL 17 HG13 VAL 17 -1.710 -5.417 2.585 58 1HG2 VAL 17 HG21 VAL 17 1.789 -4.027 3.510 59 2HG2 VAL 17 HG22 VAL 17 1.286 -2.941 4.783 60 3HG2 VAL 17 HG23 VAL 17 0.781 -2.705 3.128 61 H SER 18 HN SER 18 -3.649 -3.805 3.641 62 HA SER 18 HA SER 18 -4.411 -6.467 4.481 63 1HB SER 18 HB2 SER 18 -6.735 -5.559 5.245 64 2HB SER 18 HB1 SER 18 -5.503 -4.761 6.147 65 HG SER 18 HG SER 18 -5.817 -2.934 5.130 66 H LEU 19 HN LEU 19 -6.356 -7.247 2.898 67 HA LEU 19 HA LEU 19 -5.479 -6.274 0.242 68 1HB LEU 19 HB2 LEU 19 -6.217 -9.100 0.993 69 2HB LEU 19 HB1 LEU 19 -5.659 -8.434 -0.542 70 HG LEU 19 HG LEU 19 -3.912 -8.272 1.885 71 1HD1 LEU 19 HD11 LEU 19 -4.119 -10.976 0.177 72 2HD1 LEU 19 HD12 LEU 19 -4.653 -10.751 1.772 73 3HD1 LEU 19 HD13 LEU 19 -2.992 -10.714 1.485 74 1HD2 LEU 19 HD21 LEU 19 -3.261 -8.470 -1.183 75 2HD2 LEU 19 HD22 LEU 19 -2.017 -8.197 0.003 76 3HD2 LEU 19 HD23 LEU 19 -3.248 -7.027 -0.255 77 H ASP 20 HN ASP 20 -7.159 -5.955 -1.280 78 HA ASP 20 HA ASP 20 -9.933 -6.330 -0.532 79 1HB ASP 20 HB2 ASP 20 -9.243 -4.723 -2.419 80 2HB ASP 20 HB1 ASP 20 -8.807 -6.167 -3.340 81 H VAL 21 HN VAL 21 -7.559 -7.975 -2.296 82 HA VAL 21 HA VAL 21 -9.046 -9.889 -3.515 83 HB VAL 21 HB VAL 21 -6.166 -9.689 -2.789 84 1HG1 VAL 21 HG11 VAL 21 -6.650 -12.302 -3.321 85 2HG1 VAL 21 HG12 VAL 21 -5.505 -11.578 -4.395 86 3HG1 VAL 21 HG13 VAL 21 -7.100 -11.803 -4.944 87 1HG2 VAL 21 HG21 VAL 21 -6.912 -8.058 -4.321 88 2HG2 VAL 21 HG22 VAL 21 -7.628 -9.271 -5.379 89 3HG2 VAL 21 HG23 VAL 21 -5.874 -9.171 -5.212 90 H ASP 22 HN ASP 22 -8.152 -9.849 -0.148 91 HA ASP 22 HA ASP 22 -8.891 -12.652 0.028 92 1HB ASP 22 HB2 ASP 22 -6.450 -12.708 -0.240 93 2HB ASP 22 HB1 ASP 22 -6.220 -11.775 1.213 94 H ASN 23 HN ASN 23 -8.148 -9.705 1.972 95 HA ASN 23 HA ASN 23 -10.359 -10.010 3.545 96 1HB ASN 23 HB2 ASN 23 -9.299 -11.878 4.681 97 2HB ASN 23 HB1 ASN 23 -7.796 -10.977 4.840 98 1HD2 ASN 23 HD21 ASN 23 -11.072 -11.292 6.058 99 2HD2 ASN 23 HD22 ASN 23 -10.785 -10.423 7.513 100 H GLY 24 HN GLY 24 -10.661 -7.903 4.485 101 1HA GLY 24 HA2 GLY 24 -8.343 -6.139 4.250 102 2HA GLY 24 HA1 GLY 24 -10.020 -5.656 4.089 103 H ASN 25 HN ASN 25 -8.813 -7.786 6.637 104 HA ASN 25 HA ASN 25 -9.233 -5.591 8.531 105 1HB ASN 25 HB2 ASN 25 -10.152 -8.443 8.854 106 2HB ASN 25 HB1 ASN 25 -10.189 -7.283 10.160 107 1HD2 ASN 25 HD21 ASN 25 -11.835 -5.478 9.940 108 2HD2 ASN 25 HD22 ASN 25 -13.147 -5.722 8.878 109 H MET 26 HN MET 26 -7.005 -5.324 8.485 110 HA MET 26 HA MET 26 -4.884 -5.470 9.225 111 1HB MET 26 HB2 MET 26 -6.176 -7.078 11.389 112 2HB MET 26 HB1 MET 26 -4.521 -6.555 11.505 113 1HG MET 26 HG2 MET 26 -5.444 -4.172 11.232 114 2HG MET 26 HG1 MET 26 -7.026 -4.898 11.484 115 1HE MET 26 HE1 MET 26 -3.539 -5.795 13.186 116 2HE MET 26 HE2 MET 26 -3.619 -4.721 14.586 117 3HE MET 26 HE3 MET 26 -3.577 -4.053 12.951 118 H TYR 27 HN TYR 27 -3.658 -6.501 7.758 119 HA TYR 27 HA TYR 27 -3.659 -9.397 8.019 120 1HB TYR 27 HB2 TYR 27 -4.032 -7.938 5.776 121 2HB TYR 27 HB1 TYR 27 -2.300 -8.242 5.668 122 HD1 TYR 27 HD1 TYR 27 -5.616 -9.549 5.245 123 HD2 TYR 27 HD2 TYR 27 -1.532 -10.746 5.708 124 HE1 TYR 27 HE1 TYR 27 -6.159 -11.761 4.433 125 HE2 TYR 27 HE2 TYR 27 -2.101 -12.960 4.887 126 HH TYR 27 HH TYR 27 -5.259 -13.669 3.558 127 H LYS 28 HN LYS 28 -1.212 -6.951 7.016 128 HA LYS 28 HA LYS 28 0.491 -7.930 9.110 129 1HB LYS 28 HB2 LYS 28 2.390 -8.509 7.720 130 2HB LYS 28 HB1 LYS 28 0.997 -9.511 7.354 131 1HG LYS 28 HG2 LYS 28 0.606 -8.135 5.317 132 2HG LYS 28 HG1 LYS 28 2.024 -7.194 5.713 133 1HD LYS 28 HD2 LYS 28 2.647 -8.928 4.075 134 2HD LYS 28 HD1 LYS 28 3.479 -9.174 5.608 135 1HE LYS 28 HE2 LYS 28 1.593 -10.868 6.143 136 2HE LYS 28 HE1 LYS 28 1.175 -10.743 4.439 137 1HZ LYS 28 HZ1 LYS 28 3.791 -11.666 5.492 138 2HZ LYS 28 HZ2 LYS 28 3.391 -11.544 3.859 139 3HZ LYS 28 HZ3 LYS 28 2.582 -12.623 4.832 140 H SER 29 HN SER 29 2.498 -6.685 9.321 141 HA SER 29 HA SER 29 2.053 -3.973 8.358 142 1HB SER 29 HB2 SER 29 3.345 -4.869 10.929 143 2HB SER 29 HB1 SER 29 3.078 -3.201 10.397 144 HG SER 29 HG SER 29 0.877 -4.819 10.334 145 H ILE 30 HN ILE 30 3.762 -2.712 7.688 146 HA ILE 30 HA ILE 30 6.325 -4.113 7.074 147 HB ILE 30 HB ILE 30 5.064 -2.133 5.215 148 1HG1 ILE 30 HG12 ILE 30 3.241 -3.527 5.152 149 2HG1 ILE 30 HG11 ILE 30 4.080 -3.760 3.689 150 1HG2 ILE 30 HG21 ILE 30 6.890 -4.550 4.503 151 2HG2 ILE 30 HG22 ILE 30 7.358 -2.849 4.267 152 3HG2 ILE 30 HG23 ILE 30 6.081 -3.590 3.348 153 1HD1 ILE 30 HD11 ILE 30 3.357 -5.998 4.297 154 2HD1 ILE 30 HD12 ILE 30 4.062 -5.948 5.867 155 3HD1 ILE 30 HD13 ILE 30 5.086 -5.913 4.419 156 H LEU 31 HN LEU 31 8.113 -2.845 7.261 157 HA LEU 31 HA LEU 31 7.704 -0.162 8.192 158 1HB LEU 31 HB2 LEU 31 9.053 -1.591 9.520 159 2HB LEU 31 HB1 LEU 31 10.073 -2.098 8.209 160 HG LEU 31 HG LEU 31 10.012 0.755 9.203 161 1HD1 LEU 31 HD11 LEU 31 12.051 -1.507 9.980 162 2HD1 LEU 31 HD12 LEU 31 11.062 -0.711 11.184 163 3HD1 LEU 31 HD13 LEU 31 12.329 0.145 10.369 164 1HD2 LEU 31 HD21 LEU 31 10.875 0.386 6.979 165 2HD2 LEU 31 HD22 LEU 31 12.086 -0.742 7.584 166 3HD2 LEU 31 HD23 LEU 31 12.171 0.971 8.029 167 H VAL 32 HN VAL 32 7.882 1.434 6.811 168 HA VAL 32 HA VAL 32 8.985 0.850 4.179 169 HB VAL 32 HB VAL 32 6.704 1.480 4.087 170 1HG1 VAL 32 HG11 VAL 32 6.517 2.899 6.254 171 2HG1 VAL 32 HG12 VAL 32 5.895 3.879 4.932 172 3HG1 VAL 32 HG13 VAL 32 7.519 4.109 5.486 173 1HG2 VAL 32 HG21 VAL 32 6.672 3.615 2.575 174 2HG2 VAL 32 HG22 VAL 32 7.925 2.556 2.035 175 3HG2 VAL 32 HG23 VAL 32 8.291 3.938 3.046 176 H THR 33 HN THR 33 10.773 1.995 3.399 177 HA THR 33 HA THR 33 12.009 3.933 5.243 178 HB THR 33 HB THR 33 14.022 3.503 3.682 179 HG1 THR 33 HG1 THR 33 12.479 2.605 2.064 180 1HG2 THR 33 HG21 THR 33 13.029 0.932 5.216 181 2HG2 THR 33 HG22 THR 33 14.184 2.047 5.899 182 3HG2 THR 33 HG23 THR 33 14.593 1.084 4.539 183 H SER 34 HN SER 34 13.065 5.912 4.228 184 HA SER 34 HA SER 34 11.288 7.241 2.544 185 1HB SER 34 HB2 SER 34 14.179 8.253 3.064 186 2HB SER 34 HB1 SER 34 12.805 9.182 2.806 187 HG SER 34 HG SER 34 12.152 9.050 4.715 188 H GLN 35 HN GLN 35 14.104 5.405 1.987 189 HA GLN 35 HA GLN 35 15.000 6.372 -0.528 190 1HB GLN 35 HB2 GLN 35 16.339 5.098 1.094 191 2HB GLN 35 HB1 GLN 35 15.352 3.682 0.783 192 1HG GLN 35 HG2 GLN 35 16.102 3.888 -1.619 193 2HG GLN 35 HG1 GLN 35 17.307 5.029 -1.038 194 1HE2 GLN 35 HE21 GLN 35 17.458 3.447 1.553 195 2HE2 GLN 35 HE22 GLN 35 18.424 2.089 1.147 196 H ASP 36 HN ASP 36 12.198 4.720 0.217 197 HA ASP 36 HA ASP 36 12.231 3.291 -2.353 198 1HB ASP 36 HB2 ASP 36 12.388 1.935 -0.152 199 2HB ASP 36 HB1 ASP 36 10.710 2.294 0.080 200 H LYS 37 HN LYS 37 10.701 3.784 -3.706 201 HA LYS 37 HA LYS 37 8.879 5.974 -3.092 202 1HB LYS 37 HB2 LYS 37 10.321 5.232 -5.377 203 2HB LYS 37 HB1 LYS 37 8.729 4.602 -5.646 204 1HG LYS 37 HG2 LYS 37 7.744 6.882 -5.634 205 2HG LYS 37 HG1 LYS 37 9.347 7.579 -5.348 206 1HD LYS 37 HD2 LYS 37 10.100 6.477 -7.399 207 2HD LYS 37 HD1 LYS 37 8.432 5.991 -7.689 208 1HE LYS 37 HE2 LYS 37 9.429 8.831 -7.416 209 2HE LYS 37 HE1 LYS 37 9.010 7.977 -8.897 210 1HZ LYS 37 HZ1 LYS 37 7.089 8.614 -6.726 211 2HZ LYS 37 HZ2 LYS 37 6.735 7.870 -8.219 212 3HZ LYS 37 HZ3 LYS 37 7.300 9.453 -8.166 213 H ALA 38 HN ALA 38 6.663 5.880 -3.974 214 HA ALA 38 HA ALA 38 5.306 3.789 -2.648 215 1HB ALA 38 HB1 ALA 38 4.073 6.078 -2.801 216 2HB ALA 38 HB2 ALA 38 3.051 4.775 -3.329 217 3HB ALA 38 HB3 ALA 38 3.795 5.776 -4.495 218 HA PRO 39 HA PRO 39 4.128 1.758 -6.911 219 1HB PRO 39 HB2 PRO 39 6.308 1.688 -8.619 220 2HB PRO 39 HB1 PRO 39 4.947 2.802 -8.803 221 1HG PRO 39 HG2 PRO 39 7.595 3.272 -7.470 222 2HG PRO 39 HG1 PRO 39 6.736 4.310 -8.626 223 1HD PRO 39 HD2 PRO 39 6.614 4.897 -6.066 224 2HD PRO 39 HD1 PRO 39 5.155 4.924 -7.098 225 H ALA 40 HN ALA 40 7.440 1.957 -5.741 226 HA ALA 40 HA ALA 40 7.862 -0.912 -5.962 227 1HB ALA 40 HB1 ALA 40 9.611 1.074 -4.362 228 2HB ALA 40 HB2 ALA 40 9.947 0.680 -6.025 229 3HB ALA 40 HB3 ALA 40 10.079 -0.539 -4.782 230 H VAL 41 HN VAL 41 6.832 1.250 -3.484 231 HA VAL 41 HA VAL 41 6.801 -0.754 -1.388 232 HB VAL 41 HB VAL 41 5.036 1.662 -1.677 233 1HG1 VAL 41 HG11 VAL 41 4.385 1.300 0.954 234 2HG1 VAL 41 HG12 VAL 41 5.346 -0.146 0.911 235 3HG1 VAL 41 HG13 VAL 41 3.972 -0.039 -0.065 236 1HG2 VAL 41 HG21 VAL 41 6.677 2.964 0.024 237 2HG2 VAL 41 HG22 VAL 41 7.572 2.429 -1.319 238 3HG2 VAL 41 HG23 VAL 41 7.661 1.561 0.138 239 H ILE 42 HN ILE 42 4.563 0.256 -3.778 240 HA ILE 42 HA ILE 42 2.340 -1.354 -3.090 241 HB ILE 42 HB ILE 42 3.287 -1.034 -5.927 242 1HG1 ILE 42 HG12 ILE 42 1.888 1.044 -4.299 243 2HG1 ILE 42 HG11 ILE 42 2.867 1.172 -5.671 244 1HG2 ILE 42 HG21 ILE 42 0.413 -1.674 -4.906 245 2HG2 ILE 42 HG22 ILE 42 1.422 -2.857 -5.675 246 3HG2 ILE 42 HG23 ILE 42 0.767 -1.518 -6.600 247 1HD1 ILE 42 HD11 ILE 42 1.273 0.712 -7.319 248 2HD1 ILE 42 HD12 ILE 42 0.647 2.029 -6.374 249 3HD1 ILE 42 HD13 ILE 42 0.002 0.399 -6.168 250 H ARG 43 HN ARG 43 5.135 -1.988 -5.055 251 HA ARG 43 HA ARG 43 4.686 -4.695 -5.534 252 1HB ARG 43 HB2 ARG 43 7.257 -3.102 -5.592 253 2HB ARG 43 HB1 ARG 43 7.243 -4.758 -5.993 254 1HG ARG 43 HG2 ARG 43 5.405 -2.907 -7.515 255 2HG ARG 43 HG1 ARG 43 7.123 -2.985 -7.909 256 1HD ARG 43 HD2 ARG 43 5.050 -5.275 -8.314 257 2HD ARG 43 HD1 ARG 43 6.035 -4.522 -9.442 258 HE ARG 43 HE ARG 43 7.991 -5.488 -8.206 259 1HH1 ARG 43 HH11 ARG 43 4.796 -7.055 -8.280 260 2HH1 ARG 43 HH12 ARG 43 5.403 -8.630 -8.359 261 1HH2 ARG 43 HH21 ARG 43 8.825 -7.689 -8.389 262 2HH2 ARG 43 HH22 ARG 43 7.729 -9.000 -8.419 263 H LYS 44 HN LYS 44 6.556 -3.149 -2.941 264 HA LYS 44 HA LYS 44 7.670 -5.483 -1.811 265 1HB LYS 44 HB2 LYS 44 6.902 -2.985 -0.325 266 2HB LYS 44 HB1 LYS 44 8.084 -4.180 0.171 267 1HG LYS 44 HG2 LYS 44 8.314 -2.349 -2.200 268 2HG LYS 44 HG1 LYS 44 9.184 -2.200 -0.677 269 1HD LYS 44 HD2 LYS 44 10.293 -4.190 -1.021 270 2HD LYS 44 HD1 LYS 44 9.377 -4.618 -2.458 271 1HE LYS 44 HE2 LYS 44 11.517 -3.523 -3.441 272 2HE LYS 44 HE1 LYS 44 10.198 -2.409 -3.521 273 1HZ LYS 44 HZ1 LYS 44 10.880 -1.221 -1.708 274 2HZ LYS 44 HZ2 LYS 44 12.233 -1.466 -2.646 275 3HZ LYS 44 HZ3 LYS 44 12.018 -2.369 -1.236 276 H ALA 45 HN ALA 45 4.763 -3.752 -1.120 277 HA ALA 45 HA ALA 45 4.205 -5.474 1.130 278 1HB ALA 45 HB1 ALA 45 2.224 -3.420 -0.086 279 2HB ALA 45 HB2 ALA 45 3.316 -3.021 1.203 280 3HB ALA 45 HB3 ALA 45 2.031 -4.176 1.463 281 H MET 46 HN MET 46 3.007 -5.297 -2.144 282 HA MET 46 HA MET 46 1.302 -7.504 -1.643 283 1HB MET 46 HB2 MET 46 0.739 -7.597 -3.968 284 2HB MET 46 HB1 MET 46 0.829 -5.937 -3.477 285 1HG MET 46 HG2 MET 46 2.916 -5.562 -4.713 286 2HG MET 46 HG1 MET 46 3.127 -7.304 -4.947 287 1HE MET 46 HE1 MET 46 0.264 -8.207 -5.955 288 2HE MET 46 HE2 MET 46 1.807 -8.661 -6.673 289 3HE MET 46 HE3 MET 46 0.517 -8.028 -7.691 290 H ASP 47 HN ASP 47 4.622 -7.220 -2.779 291 HA ASP 47 HA ASP 47 5.115 -9.930 -3.322 292 1HB ASP 47 HB2 ASP 47 6.954 -7.679 -2.464 293 2HB ASP 47 HB1 ASP 47 7.533 -9.331 -2.537 294 H LYS 48 HN LYS 48 4.924 -8.185 -0.388 295 HA LYS 48 HA LYS 48 6.106 -10.104 1.272 296 1HB LYS 48 HB2 LYS 48 5.117 -7.573 1.547 297 2HB LYS 48 HB1 LYS 48 3.988 -8.562 2.430 298 1HG LYS 48 HG2 LYS 48 5.748 -7.645 3.913 299 2HG LYS 48 HG1 LYS 48 5.684 -9.386 3.986 300 1HD LYS 48 HD2 LYS 48 8.001 -8.674 3.885 301 2HD LYS 48 HD1 LYS 48 7.603 -9.448 2.375 302 1HE LYS 48 HE2 LYS 48 7.266 -7.310 1.268 303 2HE LYS 48 HE1 LYS 48 7.615 -6.409 2.731 304 1HZ LYS 48 HZ1 LYS 48 9.531 -6.484 1.308 305 2HZ LYS 48 HZ2 LYS 48 9.455 -8.138 1.177 306 3HZ LYS 48 HZ3 LYS 48 9.868 -7.436 2.655 307 H HIS 49 HN HIS 49 3.091 -9.785 -0.154 308 HA HIS 49 HA HIS 49 1.822 -11.827 1.536 309 1HB HIS 49 HB2 HIS 49 0.650 -10.075 -0.614 310 2HB HIS 49 HB1 HIS 49 -0.222 -11.415 0.115 311 HD2 HIS 49 HD2 HIS 49 1.408 -8.036 1.356 312 HE1 HIS 49 HE1 HIS 49 -1.857 -9.016 3.837 313 HE2 HIS 49 HE2 HIS 49 -0.311 -7.211 3.070 314 H ASN 50 HN ASN 50 3.431 -11.562 -1.438 315 HA ASN 50 HA ASN 50 4.067 -12.967 -2.974 316 1HB ASN 50 HB2 ASN 50 4.360 -14.689 -1.200 317 2HB ASN 50 HB1 ASN 50 2.680 -15.161 -1.421 318 1HD2 ASN 50 HD21 ASN 50 5.866 -15.229 -2.753 319 2HD2 ASN 50 HD22 ASN 50 5.602 -16.430 -3.951 320 H LEU 51 HN LEU 51 2.783 -11.735 -4.217 321 HA LEU 51 HA LEU 51 0.500 -13.183 -5.415 322 1HB LEU 51 HB2 LEU 51 0.852 -10.184 -5.184 323 2HB LEU 51 HB1 LEU 51 -0.482 -10.998 -5.972 324 HG LEU 51 HG LEU 51 0.151 -11.133 -3.050 325 1HD1 LEU 51 HD11 LEU 51 -0.788 -8.791 -3.786 326 2HD1 LEU 51 HD12 LEU 51 -2.039 -9.635 -2.882 327 3HD1 LEU 51 HD13 LEU 51 -2.061 -9.643 -4.618 328 1HD2 LEU 51 HD21 LEU 51 -2.119 -12.101 -2.867 329 2HD2 LEU 51 HD22 LEU 51 -0.988 -13.096 -3.792 330 3HD2 LEU 51 HD23 LEU 51 -2.210 -12.125 -4.631 331 H GLU 52 HN GLU 52 2.506 -14.025 -6.334 332 HA GLU 52 HA GLU 52 4.115 -12.609 -8.174 333 1HB GLU 52 HB2 GLU 52 3.491 -15.563 -8.033 334 2HB GLU 52 HB1 GLU 52 4.709 -14.854 -9.072 335 1HG GLU 52 HG2 GLU 52 4.745 -14.896 -6.040 336 2HG GLU 52 HG1 GLU 52 5.752 -15.799 -7.152 337 H GLU 53 HN GLU 53 0.987 -13.697 -8.346 338 HA GLU 53 HA GLU 53 0.751 -14.565 -11.015 339 1HB GLU 53 HB2 GLU 53 -1.686 -14.351 -10.532 340 2HB GLU 53 HB1 GLU 53 -0.777 -15.300 -9.363 341 1HG GLU 53 HG2 GLU 53 -0.665 -13.082 -7.981 342 2HG GLU 53 HG1 GLU 53 -1.868 -12.536 -9.063 343 H GLU 54 HN GLU 54 0.193 -11.382 -9.545 344 HA GLU 54 HA GLU 54 -0.006 -10.231 -12.235 345 1HB GLU 54 HB2 GLU 54 -1.800 -9.458 -9.944 346 2HB GLU 54 HB1 GLU 54 -1.904 -8.940 -11.630 347 1HG GLU 54 HG2 GLU 54 -2.193 -11.468 -12.008 348 2HG GLU 54 HG1 GLU 54 -2.551 -11.472 -10.335 349 H GLU 55 HN GLU 55 0.059 -7.785 -12.064 350 HA GLU 55 HA GLU 55 2.160 -6.958 -10.149 351 1HB GLU 55 HB2 GLU 55 1.695 -6.527 -13.007 352 2HB GLU 55 HB1 GLU 55 2.505 -5.251 -12.128 353 1HG GLU 55 HG2 GLU 55 4.152 -6.662 -13.198 354 2HG GLU 55 HG1 GLU 55 4.264 -6.812 -11.450 355 HA PRO 56 HA PRO 56 0.015 -3.023 -9.011 356 1HB PRO 56 HB2 PRO 56 2.435 -1.790 -10.244 357 2HB PRO 56 HB1 PRO 56 1.674 -1.436 -8.685 358 1HG PRO 56 HG2 PRO 56 3.888 -2.824 -8.815 359 2HG PRO 56 HG1 PRO 56 2.634 -3.315 -7.679 360 1HD PRO 56 HD2 PRO 56 3.424 -4.583 -10.273 361 2HD PRO 56 HD1 PRO 56 2.781 -5.315 -8.794 362 H GLU 57 HN GLU 57 1.063 -3.738 -12.183 363 HA GLU 57 HA GLU 57 -0.016 -1.556 -13.580 364 1HB GLU 57 HB2 GLU 57 0.067 -4.457 -14.409 365 2HB GLU 57 HB1 GLU 57 -0.080 -3.072 -15.487 366 1HG GLU 57 HG2 GLU 57 2.104 -2.286 -14.795 367 2HG GLU 57 HG1 GLU 57 2.267 -3.656 -13.702 368 H ASP 58 HN ASP 58 -1.435 -4.409 -12.154 369 HA ASP 58 HA ASP 58 -4.111 -3.654 -13.046 370 1HB ASP 58 HB2 ASP 58 -3.023 -6.067 -11.628 371 2HB ASP 58 HB1 ASP 58 -4.746 -5.748 -11.675 372 H TYR 59 HN TYR 59 -2.177 -3.837 -10.166 373 HA TYR 59 HA TYR 59 -4.478 -3.097 -8.514 374 1HB TYR 59 HB2 TYR 59 -1.778 -3.664 -7.475 375 2HB TYR 59 HB1 TYR 59 -3.297 -3.636 -6.626 376 HD1 TYR 59 HD1 TYR 59 -1.112 -5.671 -8.683 377 HD2 TYR 59 HD2 TYR 59 -4.902 -5.567 -6.752 378 HE1 TYR 59 HE1 TYR 59 -1.234 -8.012 -8.870 379 HE2 TYR 59 HE2 TYR 59 -5.061 -8.013 -6.984 380 HH TYR 59 HH TYR 59 -3.974 -9.728 -8.737 381 H GLU 60 HN GLU 60 -4.001 -1.758 -6.716 382 HA GLU 60 HA GLU 60 -1.955 0.257 -6.907 383 1HB GLU 60 HB2 GLU 60 -3.691 2.194 -6.757 384 2HB GLU 60 HB1 GLU 60 -3.654 1.334 -8.283 385 1HG GLU 60 HG2 GLU 60 -5.500 0.363 -7.879 386 2HG GLU 60 HG1 GLU 60 -5.522 0.628 -6.117 387 H LEU 61 HN LEU 61 -1.723 1.374 -4.851 388 HA LEU 61 HA LEU 61 -3.065 -0.093 -2.767 389 1HB LEU 61 HB2 LEU 61 -1.157 -0.637 -1.948 390 2HB LEU 61 HB1 LEU 61 -0.378 0.156 -3.251 391 HG LEU 61 HG LEU 61 -0.935 1.653 -0.683 392 1HD1 LEU 61 HD11 LEU 61 1.663 0.918 0.073 393 2HD1 LEU 61 HD12 LEU 61 1.624 -0.185 -1.245 394 3HD1 LEU 61 HD13 LEU 61 0.569 -0.408 0.052 395 1HD2 LEU 61 HD21 LEU 61 -0.210 2.997 -2.725 396 2HD2 LEU 61 HD22 LEU 61 1.386 2.336 -2.740 397 3HD2 LEU 61 HD23 LEU 61 0.797 3.266 -1.401 398 H LEU 62 HN LEU 62 -3.866 0.795 -0.894 399 HA LEU 62 HA LEU 62 -4.976 3.484 -1.475 400 1HB LEU 62 HB2 LEU 62 -6.152 1.138 -1.655 401 2HB LEU 62 HB1 LEU 62 -6.311 1.303 0.059 402 HG LEU 62 HG LEU 62 -7.594 2.891 -2.096 403 1HD1 LEU 62 HD11 LEU 62 -9.708 2.025 -1.045 404 2HD1 LEU 62 HD12 LEU 62 -8.736 1.181 0.144 405 3HD1 LEU 62 HD13 LEU 62 -8.659 0.691 -1.529 406 1HD2 LEU 62 HD21 LEU 62 -7.798 3.432 0.924 407 2HD2 LEU 62 HD22 LEU 62 -8.988 4.001 -0.168 408 3HD2 LEU 62 HD23 LEU 62 -7.421 4.716 -0.224 409 H GLN 63 HN GLN 63 -4.863 4.932 0.520 410 HA GLN 63 HA GLN 63 -4.290 3.671 3.080 411 1HB GLN 63 HB2 GLN 63 -4.285 6.456 2.170 412 2HB GLN 63 HB1 GLN 63 -4.458 6.151 3.913 413 1HG GLN 63 HG2 GLN 63 -2.419 4.609 3.495 414 2HG GLN 63 HG1 GLN 63 -2.269 5.576 2.059 415 1HE2 GLN 63 HE21 GLN 63 -3.075 8.152 3.501 416 2HE2 GLN 63 HE22 GLN 63 -1.639 8.537 4.360 417 H ILE 64 HN ILE 64 -5.649 3.593 4.684 418 HA ILE 64 HA ILE 64 -8.261 4.887 4.423 419 HB ILE 64 HB ILE 64 -7.599 2.097 5.173 420 1HG1 ILE 64 HG12 ILE 64 -10.086 2.563 3.613 421 2HG1 ILE 64 HG11 ILE 64 -8.707 3.409 3.045 422 1HG2 ILE 64 HG21 ILE 64 -10.277 3.455 6.135 423 2HG2 ILE 64 HG22 ILE 64 -9.031 2.953 7.204 424 3HG2 ILE 64 HG23 ILE 64 -9.931 1.754 6.343 425 1HD1 ILE 64 HD11 ILE 64 -7.415 1.490 2.808 426 2HD1 ILE 64 HD12 ILE 64 -9.001 1.213 2.068 427 3HD1 ILE 64 HD13 ILE 64 -8.624 0.512 3.637 428 H LEU 65 HN LEU 65 -8.946 6.124 6.124 429 HA LEU 65 HA LEU 65 -7.186 6.235 8.430 430 1HB LEU 65 HB2 LEU 65 -8.995 8.305 7.204 431 2HB LEU 65 HB1 LEU 65 -8.211 8.364 8.740 432 HG LEU 65 HG LEU 65 -6.015 8.461 7.813 433 1HD1 LEU 65 HD11 LEU 65 -7.225 8.567 4.869 434 2HD1 LEU 65 HD12 LEU 65 -6.143 7.363 5.486 435 3HD1 LEU 65 HD13 LEU 65 -5.584 8.926 5.208 436 1HD2 LEU 65 HD21 LEU 65 -6.170 11.059 7.030 437 2HD2 LEU 65 HD22 LEU 65 -7.136 10.687 8.393 438 3HD2 LEU 65 HD23 LEU 65 -7.886 10.784 6.873 439 H SER 66 HN SER 66 -8.260 6.383 10.291 440 HA SER 66 HA SER 66 -9.757 5.079 11.757 441 1HB SER 66 HB2 SER 66 -11.588 7.252 10.689 442 2HB SER 66 HB1 SER 66 -11.591 6.526 12.307 443 HG SER 66 HG SER 66 -9.510 7.439 12.604 444 H ASP 67 HN ASP 67 -12.471 5.986 9.786 445 HA ASP 67 HA ASP 67 -12.536 3.766 8.149 446 1HB ASP 67 HB2 ASP 67 -13.129 2.446 10.113 447 2HB ASP 67 HB1 ASP 67 -14.382 3.601 10.553 448 H ASP 68 HN ASP 68 -12.750 5.826 6.923 449 HA ASP 68 HA ASP 68 -15.404 6.115 6.068 450 1HB ASP 68 HB2 ASP 68 -15.695 7.563 8.051 451 2HB ASP 68 HB1 ASP 68 -14.314 8.533 7.551 452 H ARG 69 HN ARG 69 -12.807 8.519 6.257 453 HA ARG 69 HA ARG 69 -12.864 8.723 3.398 454 1HB ARG 69 HB2 ARG 69 -11.084 10.112 5.408 455 2HB ARG 69 HB1 ARG 69 -10.837 10.244 3.683 456 1HG ARG 69 HG2 ARG 69 -13.182 11.140 3.512 457 2HG ARG 69 HG1 ARG 69 -13.203 11.245 5.271 458 1HD ARG 69 HD2 ARG 69 -11.250 12.600 3.411 459 2HD ARG 69 HD1 ARG 69 -12.547 13.380 4.308 460 HE ARG 69 HE ARG 69 -11.243 12.345 6.296 461 1HH1 ARG 69 HH11 ARG 69 -9.871 14.017 3.473 462 2HH1 ARG 69 HH12 ARG 69 -8.456 14.494 4.281 463 1HH2 ARG 69 HH21 ARG 69 -9.322 13.034 7.381 464 2HH2 ARG 69 HH22 ARG 69 -8.145 13.968 6.570 465 H LYS 70 HN LYS 70 -11.369 8.148 1.963 466 HA LYS 70 HA LYS 70 -9.268 6.394 2.895 467 1HB LYS 70 HB2 LYS 70 -11.167 5.678 0.621 468 2HB LYS 70 HB1 LYS 70 -9.896 4.688 1.326 469 1HG LYS 70 HG2 LYS 70 -11.093 4.456 3.357 470 2HG LYS 70 HG1 LYS 70 -12.375 5.524 2.818 471 1HD LYS 70 HD2 LYS 70 -12.794 3.962 0.914 472 2HD LYS 70 HD1 LYS 70 -11.672 2.821 1.637 473 1HE LYS 70 HE2 LYS 70 -14.003 2.257 2.175 474 2HE LYS 70 HE1 LYS 70 -13.234 2.684 3.680 475 1HZ LYS 70 HZ1 LYS 70 -15.344 3.682 3.562 476 2HZ LYS 70 HZ2 LYS 70 -15.075 4.346 2.048 477 3HZ LYS 70 HZ3 LYS 70 -14.259 4.963 3.385 478 H LEU 71 HN LEU 71 -7.537 6.404 1.342 479 HA LEU 71 HA LEU 71 -7.718 8.501 -0.758 480 1HB LEU 71 HB2 LEU 71 -5.474 7.997 1.149 481 2HB LEU 71 HB1 LEU 71 -5.481 9.258 -0.046 482 HG LEU 71 HG LEU 71 -7.205 9.049 2.438 483 1HD1 LEU 71 HD11 LEU 71 -4.978 10.961 1.736 484 2HD1 LEU 71 HD12 LEU 71 -4.910 9.657 2.922 485 3HD1 LEU 71 HD13 LEU 71 -5.967 11.041 3.194 486 1HD2 LEU 71 HD21 LEU 71 -8.476 10.173 0.641 487 2HD2 LEU 71 HD22 LEU 71 -7.189 11.376 0.461 488 3HD2 LEU 71 HD23 LEU 71 -8.085 11.254 1.959 489 H LYS 72 HN LYS 72 -7.241 7.363 -2.670 490 HA LYS 72 HA LYS 72 -5.691 4.980 -2.507 491 1HB LYS 72 HB2 LYS 72 -6.584 6.537 -4.925 492 2HB LYS 72 HB1 LYS 72 -5.608 5.085 -5.056 493 1HG LYS 72 HG2 LYS 72 -7.660 4.224 -5.364 494 2HG LYS 72 HG1 LYS 72 -7.436 4.040 -3.623 495 1HD LYS 72 HD2 LYS 72 -8.660 6.157 -3.200 496 2HD LYS 72 HD1 LYS 72 -8.975 6.301 -4.929 497 1HE LYS 72 HE2 LYS 72 -10.403 4.324 -4.876 498 2HE LYS 72 HE1 LYS 72 -10.011 4.077 -3.161 499 1HZ LYS 72 HZ1 LYS 72 -12.138 5.123 -3.477 500 2HZ LYS 72 HZ2 LYS 72 -11.458 6.341 -4.394 501 3HZ LYS 72 HZ3 LYS 72 -11.103 6.250 -2.768 502 H ILE 73 HN ILE 73 -3.495 4.721 -2.982 503 HA ILE 73 HA ILE 73 -1.935 7.192 -3.208 504 HB ILE 73 HB ILE 73 -1.220 4.417 -2.310 505 1HG1 ILE 73 HG12 ILE 73 -2.619 5.115 -0.653 506 2HG1 ILE 73 HG11 ILE 73 -1.023 5.182 0.003 507 1HG2 ILE 73 HG21 ILE 73 0.592 6.978 -2.106 508 2HG2 ILE 73 HG22 ILE 73 0.927 5.599 -3.070 509 3HG2 ILE 73 HG23 ILE 73 1.001 5.476 -1.338 510 1HD1 ILE 73 HD11 ILE 73 -2.369 7.275 0.890 511 2HD1 ILE 73 HD12 ILE 73 -2.769 7.777 -0.666 512 3HD1 ILE 73 HD13 ILE 73 -1.129 7.906 -0.123 513 HA PRO 74 HA PRO 74 -0.978 5.479 -7.211 514 1HB PRO 74 HB2 PRO 74 -0.607 7.701 -8.494 515 2HB PRO 74 HB1 PRO 74 -2.137 7.415 -7.708 516 1HG PRO 74 HG2 PRO 74 0.152 9.054 -6.667 517 2HG PRO 74 HG1 PRO 74 -1.552 9.513 -6.774 518 1HD PRO 74 HD2 PRO 74 -0.377 8.414 -4.485 519 2HD PRO 74 HD1 PRO 74 -2.111 8.393 -4.859 520 H GLU 75 HN GLU 75 0.946 6.306 -8.834 521 HA GLU 75 HA GLU 75 3.260 5.355 -7.456 522 1HB GLU 75 HB2 GLU 75 2.894 6.018 -10.315 523 2HB GLU 75 HB1 GLU 75 4.254 5.132 -9.640 524 1HG GLU 75 HG2 GLU 75 2.545 3.423 -8.843 525 2HG GLU 75 HG1 GLU 75 1.384 4.298 -9.797 526 H ASN 76 HN ASN 76 2.219 8.407 -8.683 527 HA ASN 76 HA ASN 76 4.806 9.619 -9.028 528 1HB ASN 76 HB2 ASN 76 2.763 10.340 -10.278 529 2HB ASN 76 HB1 ASN 76 2.083 10.927 -8.769 530 1HD2 ASN 76 HD21 ASN 76 5.403 11.250 -9.998 531 2HD2 ASN 76 HD22 ASN 76 5.387 12.970 -10.043 532 H ALA 77 HN ALA 77 2.878 8.992 -6.382 533 HA ALA 77 HA ALA 77 3.919 11.320 -4.900 534 1HB ALA 77 HB1 ALA 77 1.329 10.921 -4.717 535 2HB ALA 77 HB2 ALA 77 2.042 10.896 -3.139 536 3HB ALA 77 HB3 ALA 77 1.672 9.413 -3.925 537 H ASN 78 HN ASN 78 5.112 11.133 -2.981 538 HA ASN 78 HA ASN 78 6.484 8.592 -2.561 539 1HB ASN 78 HB2 ASN 78 6.803 11.253 -1.069 540 2HB ASN 78 HB1 ASN 78 7.762 9.833 -0.820 541 1HD2 ASN 78 HD21 ASN 78 8.162 9.119 -3.552 542 2HD2 ASN 78 HD22 ASN 78 9.198 10.328 -4.222 543 H VAL 79 HN VAL 79 6.204 7.330 -0.701 544 HA VAL 79 HA VAL 79 3.661 7.478 0.551 545 HB VAL 79 HB VAL 79 6.170 5.967 1.324 546 1HG1 VAL 79 HG11 VAL 79 4.696 6.242 3.462 547 2HG1 VAL 79 HG12 VAL 79 4.647 4.558 2.971 548 3HG1 VAL 79 HG13 VAL 79 3.338 5.610 2.559 549 1HG2 VAL 79 HG21 VAL 79 4.937 3.868 0.555 550 2HG2 VAL 79 HG22 VAL 79 5.002 4.995 -0.794 551 3HG2 VAL 79 HG23 VAL 79 3.550 4.793 0.146 552 H PHE 80 HN PHE 80 6.854 8.370 1.609 553 HA PHE 80 HA PHE 80 6.185 9.154 4.188 554 1HB PHE 80 HB2 PHE 80 8.400 9.647 2.379 555 2HB PHE 80 HB1 PHE 80 8.229 10.809 3.604 556 HD1 PHE 80 HD1 PHE 80 9.250 7.155 3.109 557 HD2 PHE 80 HD2 PHE 80 8.199 10.099 6.201 558 HE1 PHE 80 HE1 PHE 80 10.112 5.787 4.798 559 HE2 PHE 80 HE2 PHE 80 9.100 8.640 7.809 560 HZ PHE 80 HZ PHE 80 10.082 6.456 7.156 561 H TYR 81 HN TYR 81 5.419 10.696 1.293 562 HA TYR 81 HA TYR 81 5.067 13.242 2.667 563 1HB TYR 81 HB2 TYR 81 6.209 12.782 0.353 564 2HB TYR 81 HB1 TYR 81 4.643 12.830 -0.262 565 HD1 TYR 81 HD1 TYR 81 3.258 15.073 -0.502 566 HD2 TYR 81 HD2 TYR 81 7.114 15.126 1.628 567 HE1 TYR 81 HE1 TYR 81 3.281 17.437 -0.421 568 HE2 TYR 81 HE2 TYR 81 7.003 17.463 1.626 569 HH TYR 81 HH TYR 81 5.990 19.258 0.344 570 H ALA 82 HN ALA 82 3.280 10.739 0.876 571 HA ALA 82 HA ALA 82 0.821 12.269 1.080 572 1HB ALA 82 HB1 ALA 82 -0.154 10.449 -0.427 573 2HB ALA 82 HB2 ALA 82 1.279 9.517 -0.144 574 3HB ALA 82 HB3 ALA 82 1.404 10.968 -1.083 575 H MET 83 HN MET 83 2.371 9.921 2.939 576 HA MET 83 HA MET 83 -0.011 8.664 3.889 577 1HB MET 83 HB2 MET 83 1.314 7.408 5.485 578 2HB MET 83 HB1 MET 83 2.128 7.512 3.974 579 1HG MET 83 HG2 MET 83 3.897 7.887 5.468 580 2HG MET 83 HG1 MET 83 3.377 9.540 5.141 581 1HE MET 83 HE1 MET 83 3.254 6.571 7.692 582 2HE MET 83 HE2 MET 83 1.543 6.848 7.396 583 3HE MET 83 HE3 MET 83 2.243 7.241 8.965 584 H ASN 84 HN ASN 84 -0.742 8.675 6.256 585 HA ASN 84 HA ASN 84 -1.065 11.420 6.739 586 1HB ASN 84 HB2 ASN 84 -3.055 10.718 8.039 587 2HB ASN 84 HB1 ASN 84 -3.141 10.323 6.384 588 1HD2 ASN 84 HD21 ASN 84 -2.605 7.539 5.948 589 2HD2 ASN 84 HD22 ASN 84 -3.072 6.683 7.321 590 H SER 85 HN SER 85 -0.371 12.268 9.191 591 HA SER 85 HA SER 85 1.253 10.242 10.449 592 1HB SER 85 HB2 SER 85 1.309 13.236 10.684 593 2HB SER 85 HB1 SER 85 2.470 12.107 11.388 594 HG SER 85 HG SER 85 1.888 12.464 8.649 595 H THR 86 HN THR 86 -1.843 10.749 11.112 596 HA THR 86 HA THR 86 -1.476 10.285 13.863 597 HB THR 86 HB THR 86 -1.055 12.670 14.005 598 HG1 THR 86 HG1 THR 86 -3.553 11.952 15.125 599 1HG2 THR 86 HG21 THR 86 -2.987 14.404 13.617 600 2HG2 THR 86 HG22 THR 86 -3.916 13.129 12.918 601 3HG2 THR 86 HG23 THR 86 -2.498 13.702 12.086 602 H ALA 87 HN ALA 87 -2.836 8.544 12.202 603 HA ALA 87 HA ALA 87 -5.465 8.554 13.065 604 1HB ALA 87 HB1 ALA 87 -5.613 10.306 11.225 605 2HB ALA 87 HB2 ALA 87 -6.599 8.949 10.850 606 3HB ALA 87 HB3 ALA 87 -5.039 9.137 10.058 607 H ASN 88 HN ASN 88 -6.475 6.380 11.950 608 HA ASN 88 HA ASN 88 -4.924 4.300 12.103 609 1HB ASN 88 HB2 ASN 88 -7.316 4.243 11.831 610 2HB ASN 88 HB1 ASN 88 -7.185 4.821 10.181 611 1HD2 ASN 88 HD21 ASN 88 -8.309 3.082 9.415 612 2HD2 ASN 88 HD22 ASN 88 -7.609 1.518 9.306 613 H TYR 89 HN TYR 89 -3.116 3.586 10.850 614 HA TYR 89 HA TYR 89 -2.786 4.729 8.216 615 1HB TYR 89 HB2 TYR 89 -0.364 3.743 8.603 616 2HB TYR 89 HB1 TYR 89 -0.803 5.314 9.115 617 HD1 TYR 89 HD1 TYR 89 -0.336 5.864 11.818 618 HD2 TYR 89 HD2 TYR 89 -0.607 1.615 10.508 619 HE1 TYR 89 HE1 TYR 89 0.252 5.093 13.894 620 HE2 TYR 89 HE2 TYR 89 0.020 1.031 12.695 621 HH TYR 89 HH TYR 89 1.128 1.880 14.610 622 H ASP 90 HN ASP 90 -4.303 3.272 7.319 623 HA ASP 90 HA ASP 90 -3.203 0.512 7.264 624 1HB ASP 90 HB2 ASP 90 -5.468 0.799 8.534 625 2HB ASP 90 HB1 ASP 90 -6.163 1.160 6.985 626 H PHE 91 HN PHE 91 -3.256 -0.561 5.272 627 HA PHE 91 HA PHE 91 -3.925 1.163 3.046 628 1HB PHE 91 HB2 PHE 91 -1.347 -0.438 3.197 629 2HB PHE 91 HB1 PHE 91 -1.941 0.375 1.778 630 HD1 PHE 91 HD1 PHE 91 -1.003 2.435 1.258 631 HD2 PHE 91 HD2 PHE 91 -1.014 1.156 5.296 632 HE1 PHE 91 HE1 PHE 91 0.455 4.311 1.867 633 HE2 PHE 91 HE2 PHE 91 0.320 2.992 5.928 634 HZ PHE 91 HZ PHE 91 1.106 4.629 4.260 635 H VAL 92 HN VAL 92 -4.743 0.084 1.360 636 HA VAL 92 HA VAL 92 -5.131 -2.829 1.581 637 HB VAL 92 HB VAL 92 -6.938 -0.535 0.843 638 1HG1 VAL 92 HG11 VAL 92 -7.647 -3.540 0.421 639 2HG1 VAL 92 HG12 VAL 92 -7.441 -2.429 -0.948 640 3HG1 VAL 92 HG13 VAL 92 -8.772 -2.249 0.154 641 1HG2 VAL 92 HG21 VAL 92 -6.911 -1.126 3.129 642 2HG2 VAL 92 HG22 VAL 92 -7.252 -2.817 2.762 643 3HG2 VAL 92 HG23 VAL 92 -8.476 -1.585 2.460 644 H LEU 93 HN LEU 93 -4.689 -3.958 -0.405 645 HA LEU 93 HA LEU 93 -4.050 -2.171 -2.619 646 1HB LEU 93 HB2 LEU 93 -2.293 -3.530 -3.073 647 2HB LEU 93 HB1 LEU 93 -2.665 -4.617 -1.787 648 HG LEU 93 HG LEU 93 -3.741 -4.781 -4.611 649 1HD1 LEU 93 HD11 LEU 93 -1.107 -5.108 -4.592 650 2HD1 LEU 93 HD12 LEU 93 -1.813 -6.540 -5.154 651 3HD1 LEU 93 HD13 LEU 93 -1.211 -6.496 -3.576 652 1HD2 LEU 93 HD21 LEU 93 -4.435 -7.318 -3.885 653 2HD2 LEU 93 HD22 LEU 93 -5.195 -6.080 -2.961 654 3HD2 LEU 93 HD23 LEU 93 -3.878 -6.882 -2.281 655 H LYS 94 HN LYS 94 -5.163 -2.032 -4.425 656 HA LYS 94 HA LYS 94 -7.862 -3.324 -4.484 657 1HB LYS 94 HB2 LYS 94 -7.039 -0.706 -5.772 658 2HB LYS 94 HB1 LYS 94 -8.639 -1.367 -5.581 659 1HG LYS 94 HG2 LYS 94 -8.569 -0.769 -3.115 660 2HG LYS 94 HG1 LYS 94 -6.910 -0.284 -3.365 661 1HD LYS 94 HD2 LYS 94 -8.584 1.564 -3.218 662 2HD LYS 94 HD1 LYS 94 -7.592 1.675 -4.621 663 1HE LYS 94 HE2 LYS 94 -10.404 0.526 -4.623 664 2HE LYS 94 HE1 LYS 94 -10.020 2.215 -4.881 665 1HZ LYS 94 HZ1 LYS 94 -9.205 -0.059 -6.584 666 2HZ LYS 94 HZ2 LYS 94 -8.643 1.522 -6.756 667 3HZ LYS 94 HZ3 LYS 94 -10.289 1.176 -6.963 668 H LYS 95 HN LYS 95 -8.501 -4.150 -6.577 669 HA LYS 95 HA LYS 95 -6.458 -3.934 -8.678 670 1HB LYS 95 HB2 LYS 95 -7.226 -6.235 -8.086 671 2HB LYS 95 HB1 LYS 95 -8.841 -5.776 -8.603 672 1HG LYS 95 HG2 LYS 95 -8.059 -5.289 -10.807 673 2HG LYS 95 HG1 LYS 95 -6.416 -5.698 -10.413 674 1HD LYS 95 HD2 LYS 95 -8.853 -7.508 -10.621 675 2HD LYS 95 HD1 LYS 95 -7.407 -7.527 -11.597 676 1HE LYS 95 HE2 LYS 95 -6.062 -8.375 -9.678 677 2HE LYS 95 HE1 LYS 95 -7.502 -8.349 -8.666 678 1HZ LYS 95 HZ1 LYS 95 -7.029 -9.971 -11.082 679 2HZ LYS 95 HZ2 LYS 95 -8.463 -9.998 -10.200 680 3HZ LYS 95 HZ3 LYS 95 -7.004 -10.490 -9.493 681 H ARG 96 HN ARG 96 -6.668 -2.386 -9.939 682 HA ARG 96 HA ARG 96 -9.296 -1.425 -10.683 683 1HB ARG 96 HB2 ARG 96 -6.586 -0.275 -11.311 684 2HB ARG 96 HB1 ARG 96 -8.086 0.425 -11.810 685 1HG ARG 96 HG2 ARG 96 -8.635 0.168 -9.262 686 2HG ARG 96 HG1 ARG 96 -6.892 0.312 -9.196 687 1HD ARG 96 HD2 ARG 96 -8.037 2.553 -9.084 688 2HD ARG 96 HD1 ARG 96 -6.897 2.458 -10.399 689 HE ARG 96 HE ARG 96 -9.642 1.781 -11.055 690 1HH1 ARG 96 HH11 ARG 96 -7.261 4.402 -10.883 691 2HH1 ARG 96 HH12 ARG 96 -8.093 5.376 -11.994 692 1HH2 ARG 96 HH21 ARG 96 -10.762 3.130 -12.528 693 2HH2 ARG 96 HH22 ARG 96 -10.123 4.656 -12.941 694 H THR 97 HN THR 97 -6.308 -2.547 -12.213 695 HA THR 97 HA THR 97 -5.797 -3.317 -14.175 696 HB THR 97 HB THR 97 -8.777 -3.899 -14.372 697 HG1 THR 97 HG1 THR 97 -6.586 -5.644 -13.827 698 1HG2 THR 97 HG21 THR 97 -6.616 -5.135 -16.263 699 2HG2 THR 97 HG22 THR 97 -7.758 -3.956 -16.812 700 3HG2 THR 97 HG23 THR 97 -8.302 -5.535 -16.316 Start of MODEL 7 1 1H ASP 11 HT1 ASP 11 14.158 8.041 6.802 2 2H ASP 11 HT2 ASP 11 14.934 7.241 8.025 3 3H ASP 11 HT3 ASP 11 14.917 8.930 8.033 4 HA ASP 11 HA ASP 11 13.383 8.115 9.641 5 1HB ASP 11 HB2 ASP 11 12.063 9.095 7.140 6 2HB ASP 11 HB1 ASP 11 11.148 8.897 8.622 7 H CYS 12 HN CYS 12 11.536 6.605 10.170 8 HA CYS 12 HA CYS 12 11.008 4.674 8.089 9 1HB CYS 12 HB2 CYS 12 11.234 2.868 9.940 10 2HB CYS 12 HB1 CYS 12 12.741 3.622 9.405 11 HG CYS 12 HG CYS 12 12.392 3.064 12.249 12 H CYS 13 HN CYS 13 9.010 3.497 8.531 13 HA CYS 13 HA CYS 13 7.315 4.451 10.667 14 1HB CYS 13 HB2 CYS 13 6.978 6.081 8.802 15 2HB CYS 13 HB1 CYS 13 6.539 4.753 7.741 16 HG CYS 13 HG CYS 13 4.710 5.052 10.554 17 H ILE 14 HN ILE 14 5.457 3.037 10.895 18 HA ILE 14 HA ILE 14 5.878 0.438 9.636 19 HB ILE 14 HB ILE 14 4.986 1.265 12.369 20 1HG1 ILE 14 HG12 ILE 14 6.321 -0.830 13.020 21 2HG1 ILE 14 HG11 ILE 14 6.834 -0.885 11.373 22 1HG2 ILE 14 HG21 ILE 14 4.035 -1.168 12.783 23 2HG2 ILE 14 HG22 ILE 14 4.391 -1.501 11.116 24 3HG2 ILE 14 HG23 ILE 14 3.126 -0.372 11.489 25 1HD1 ILE 14 HD11 ILE 14 7.456 1.571 13.234 26 2HD1 ILE 14 HD12 ILE 14 8.037 1.440 11.610 27 3HD1 ILE 14 HD13 ILE 14 8.673 0.398 12.826 28 H ILE 15 HN ILE 15 4.299 -0.214 8.329 29 HA ILE 15 HA ILE 15 1.685 1.158 8.487 30 HB ILE 15 HB ILE 15 1.571 1.217 6.116 31 1HG1 ILE 15 HG12 ILE 15 4.258 -0.220 6.171 32 2HG1 ILE 15 HG11 ILE 15 2.763 -0.860 5.774 33 1HG2 ILE 15 HG21 ILE 15 3.486 3.186 5.685 34 2HG2 ILE 15 HG22 ILE 15 4.330 2.566 7.054 35 3HG2 ILE 15 HG23 ILE 15 2.852 3.287 7.272 36 1HD1 ILE 15 HD11 ILE 15 3.955 -0.613 3.508 37 2HD1 ILE 15 HD12 ILE 15 4.383 0.975 3.742 38 3HD1 ILE 15 HD13 ILE 15 2.702 0.579 3.486 39 H ARG 16 HN ARG 16 -0.096 -0.086 7.499 40 HA ARG 16 HA ARG 16 0.475 -2.950 7.767 41 1HB ARG 16 HB2 ARG 16 -0.993 -1.799 9.529 42 2HB ARG 16 HB1 ARG 16 -2.136 -1.578 8.299 43 1HG ARG 16 HG2 ARG 16 -1.100 -4.333 8.748 44 2HG ARG 16 HG1 ARG 16 -2.245 -3.741 9.902 45 1HD ARG 16 HD2 ARG 16 -2.659 -3.953 6.931 46 2HD ARG 16 HD1 ARG 16 -3.216 -5.145 8.098 47 HE ARG 16 HE ARG 16 -4.506 -2.718 7.320 48 1HH1 ARG 16 HH11 ARG 16 -4.093 -4.576 10.264 49 2HH1 ARG 16 HH12 ARG 16 -5.702 -4.306 10.786 50 1HH2 ARG 16 HH21 ARG 16 -6.555 -2.357 7.986 51 2HH2 ARG 16 HH22 ARG 16 -7.161 -2.988 9.469 52 H VAL 17 HN VAL 17 -0.513 -4.452 6.255 53 HA VAL 17 HA VAL 17 -1.674 -3.080 3.977 54 HB VAL 17 HB VAL 17 0.288 -5.330 3.913 55 1HG1 VAL 17 HG11 VAL 17 -0.752 -3.748 1.396 56 2HG1 VAL 17 HG12 VAL 17 -1.251 -5.371 1.769 57 3HG1 VAL 17 HG13 VAL 17 0.399 -5.040 1.304 58 1HG2 VAL 17 HG21 VAL 17 1.513 -3.043 4.395 59 2HG2 VAL 17 HG22 VAL 17 1.008 -2.543 2.778 60 3HG2 VAL 17 HG23 VAL 17 2.087 -3.838 2.955 61 H SER 18 HN SER 18 -3.496 -4.044 3.324 62 HA SER 18 HA SER 18 -4.027 -6.877 3.923 63 1HB SER 18 HB2 SER 18 -6.446 -6.049 4.579 64 2HB SER 18 HB1 SER 18 -5.236 -5.365 5.653 65 HG SER 18 HG SER 18 -5.364 -3.467 4.625 66 H LEU 19 HN LEU 19 -5.615 -7.870 2.411 67 HA LEU 19 HA LEU 19 -5.259 -6.769 -0.296 68 1HB LEU 19 HB2 LEU 19 -6.200 -9.512 0.613 69 2HB LEU 19 HB1 LEU 19 -6.136 -8.881 -1.030 70 HG LEU 19 HG LEU 19 -3.672 -9.075 0.682 71 1HD1 LEU 19 HD11 LEU 19 -4.704 -11.466 0.635 72 2HD1 LEU 19 HD12 LEU 19 -3.231 -11.546 -0.194 73 3HD1 LEU 19 HD13 LEU 19 -4.703 -11.554 -1.083 74 1HD2 LEU 19 HD21 LEU 19 -4.068 -8.996 -2.433 75 2HD2 LEU 19 HD22 LEU 19 -2.482 -8.965 -1.712 76 3HD2 LEU 19 HD23 LEU 19 -3.591 -7.679 -1.455 77 H ASP 20 HN ASP 20 -7.026 -6.238 -1.581 78 HA ASP 20 HA ASP 20 -9.510 -5.563 -0.421 79 1HB ASP 20 HB2 ASP 20 -8.719 -4.644 -2.600 80 2HB ASP 20 HB1 ASP 20 -9.044 -6.214 -3.325 81 H VAL 21 HN VAL 21 -8.525 -8.478 -1.977 82 HA VAL 21 HA VAL 21 -10.910 -9.828 -2.291 83 HB VAL 21 HB VAL 21 -8.627 -10.654 -2.857 84 1HG1 VAL 21 HG11 VAL 21 -7.549 -12.393 -1.192 85 2HG1 VAL 21 HG12 VAL 21 -8.831 -12.039 -0.100 86 3HG1 VAL 21 HG13 VAL 21 -7.618 -10.835 -0.359 87 1HG2 VAL 21 HG21 VAL 21 -9.341 -13.045 -2.875 88 2HG2 VAL 21 HG22 VAL 21 -10.595 -11.909 -3.381 89 3HG2 VAL 21 HG23 VAL 21 -10.638 -12.605 -1.767 90 H ASP 22 HN ASP 22 -9.432 -9.077 0.747 91 HA ASP 22 HA ASP 22 -11.818 -9.444 2.142 92 1HB ASP 22 HB2 ASP 22 -11.038 -11.842 2.203 93 2HB ASP 22 HB1 ASP 22 -9.542 -11.292 2.948 94 H ASN 23 HN ASN 23 -11.440 -7.331 2.464 95 HA ASN 23 HA ASN 23 -8.912 -6.466 3.401 96 1HB ASN 23 HB2 ASN 23 -9.818 -4.168 3.405 97 2HB ASN 23 HB1 ASN 23 -10.012 -4.993 1.870 98 1HD2 ASN 23 HD21 ASN 23 -11.437 -2.679 2.937 99 2HD2 ASN 23 HD22 ASN 23 -13.102 -3.120 2.935 100 H GLY 24 HN GLY 24 -8.810 -7.728 5.347 101 1HA GLY 24 HA2 GLY 24 -9.086 -6.142 7.556 102 2HA GLY 24 HA1 GLY 24 -10.226 -7.505 7.590 103 H ASN 25 HN ASN 25 -9.172 -8.799 8.940 104 HA ASN 25 HA ASN 25 -7.784 -10.523 9.617 105 1HB ASN 25 HB2 ASN 25 -8.262 -11.421 7.411 106 2HB ASN 25 HB1 ASN 25 -6.978 -10.463 6.701 107 1HD2 ASN 25 HD21 ASN 25 -7.774 -13.278 8.499 108 2HD2 ASN 25 HD22 ASN 25 -6.246 -14.058 8.430 109 H MET 26 HN MET 26 -6.322 -7.771 8.315 110 HA MET 26 HA MET 26 -4.584 -6.529 8.882 111 1HB MET 26 HB2 MET 26 -3.768 -8.743 10.743 112 2HB MET 26 HB1 MET 26 -2.806 -7.294 10.503 113 1HG MET 26 HG2 MET 26 -4.801 -5.976 11.202 114 2HG MET 26 HG1 MET 26 -5.586 -7.496 11.619 115 1HE MET 26 HE1 MET 26 -1.774 -5.899 13.682 116 2HE MET 26 HE2 MET 26 -2.576 -5.117 12.316 117 3HE MET 26 HE3 MET 26 -1.718 -6.635 12.088 118 H TYR 27 HN TYR 27 -3.775 -9.855 8.246 119 HA TYR 27 HA TYR 27 -2.339 -10.820 6.867 120 1HB TYR 27 HB2 TYR 27 -2.718 -8.241 5.433 121 2HB TYR 27 HB1 TYR 27 -1.610 -9.400 4.759 122 HD1 TYR 27 HD1 TYR 27 -5.082 -8.588 5.551 123 HD2 TYR 27 HD2 TYR 27 -2.599 -11.535 3.702 124 HE1 TYR 27 HE1 TYR 27 -7.050 -9.626 4.526 125 HE2 TYR 27 HE2 TYR 27 -4.559 -12.555 2.706 126 HH TYR 27 HH TYR 27 -7.615 -11.026 2.680 127 H LYS 28 HN LYS 28 -0.791 -7.632 6.396 128 HA LYS 28 HA LYS 28 1.314 -8.535 8.107 129 1HB LYS 28 HB2 LYS 28 3.083 -8.381 6.380 130 2HB LYS 28 HB1 LYS 28 2.019 -9.758 6.238 131 1HG LYS 28 HG2 LYS 28 0.778 -8.216 4.508 132 2HG LYS 28 HG1 LYS 28 2.319 -7.370 4.476 133 1HD LYS 28 HD2 LYS 28 2.422 -9.078 2.758 134 2HD LYS 28 HD1 LYS 28 3.496 -9.552 4.073 135 1HE LYS 28 HE2 LYS 28 1.358 -10.918 4.912 136 2HE LYS 28 HE1 LYS 28 0.859 -10.746 3.243 137 1HZ LYS 28 HZ1 LYS 28 3.025 -11.817 2.607 138 2HZ LYS 28 HZ2 LYS 28 1.952 -12.778 3.461 139 3HZ LYS 28 HZ3 LYS 28 3.263 -12.122 4.249 140 H SER 29 HN SER 29 3.084 -7.088 8.356 141 HA SER 29 HA SER 29 2.195 -4.350 8.010 142 1HB SER 29 HB2 SER 29 2.069 -5.108 10.348 143 2HB SER 29 HB1 SER 29 3.759 -5.598 10.279 144 HG SER 29 HG SER 29 2.981 -2.943 9.736 145 H ILE 30 HN ILE 30 3.855 -2.948 7.200 146 HA ILE 30 HA ILE 30 6.527 -4.154 6.694 147 HB ILE 30 HB ILE 30 5.341 -2.119 4.843 148 1HG1 ILE 30 HG12 ILE 30 3.562 -3.565 4.611 149 2HG1 ILE 30 HG11 ILE 30 4.483 -3.672 3.181 150 1HG2 ILE 30 HG21 ILE 30 7.245 -4.466 4.147 151 2HG2 ILE 30 HG22 ILE 30 7.736 -2.763 4.113 152 3HG2 ILE 30 HG23 ILE 30 6.559 -3.408 2.992 153 1HD1 ILE 30 HD11 ILE 30 4.428 -6.003 5.214 154 2HD1 ILE 30 HD12 ILE 30 5.527 -5.842 3.858 155 3HD1 ILE 30 HD13 ILE 30 3.839 -5.963 3.553 156 H LEU 31 HN LEU 31 8.213 -2.841 7.190 157 HA LEU 31 HA LEU 31 7.533 -0.226 8.164 158 1HB LEU 31 HB2 LEU 31 8.762 -1.632 9.622 159 2HB LEU 31 HB1 LEU 31 9.986 -2.022 8.451 160 HG LEU 31 HG LEU 31 9.599 0.776 9.539 161 1HD1 LEU 31 HD11 LEU 31 11.682 -1.381 10.478 162 2HD1 LEU 31 HD12 LEU 31 10.483 -0.720 11.572 163 3HD1 LEU 31 HD13 LEU 31 11.776 0.265 10.971 164 1HD2 LEU 31 HD21 LEU 31 10.765 0.577 7.442 165 2HD2 LEU 31 HD22 LEU 31 11.962 -0.503 8.150 166 3HD2 LEU 31 HD23 LEU 31 11.872 1.188 8.678 167 H VAL 32 HN VAL 32 7.914 1.475 6.968 168 HA VAL 32 HA VAL 32 9.311 1.052 4.447 169 HB VAL 32 HB VAL 32 7.045 1.652 4.133 170 1HG1 VAL 32 HG11 VAL 32 7.624 4.201 5.772 171 2HG1 VAL 32 HG12 VAL 32 6.592 2.929 6.352 172 3HG1 VAL 32 HG13 VAL 32 6.069 3.963 5.025 173 1HG2 VAL 32 HG21 VAL 32 7.142 3.879 2.755 174 2HG2 VAL 32 HG22 VAL 32 8.454 2.860 2.290 175 3HG2 VAL 32 HG23 VAL 32 8.694 4.183 3.417 176 H THR 33 HN THR 33 11.141 2.305 3.951 177 HA THR 33 HA THR 33 11.969 4.193 6.031 178 HB THR 33 HB THR 33 14.234 4.028 4.915 179 HG1 THR 33 HG1 THR 33 13.375 1.753 3.490 180 1HG2 THR 33 HG21 THR 33 14.865 1.569 5.554 181 2HG2 THR 33 HG22 THR 33 13.237 1.205 5.898 182 3HG2 THR 33 HG23 THR 33 14.101 2.328 6.904 183 H SER 34 HN SER 34 13.069 6.221 5.189 184 HA SER 34 HA SER 34 11.499 7.470 3.178 185 1HB SER 34 HB2 SER 34 13.312 9.316 3.660 186 2HB SER 34 HB1 SER 34 12.279 8.951 5.029 187 HG SER 34 HG SER 34 14.929 8.218 4.544 188 H GLN 35 HN GLN 35 13.954 5.369 2.892 189 HA GLN 35 HA GLN 35 15.417 6.531 0.727 190 1HB GLN 35 HB2 GLN 35 16.560 5.076 2.228 191 2HB GLN 35 HB1 GLN 35 15.373 3.806 2.002 192 1HG GLN 35 HG2 GLN 35 16.123 3.501 -0.285 193 2HG GLN 35 HG1 GLN 35 17.279 4.815 -0.072 194 1HE2 GLN 35 HE21 GLN 35 16.638 2.514 2.468 195 2HE2 GLN 35 HE22 GLN 35 18.171 1.730 2.380 196 H ASP 36 HN ASP 36 12.601 4.514 1.029 197 HA ASP 36 HA ASP 36 12.846 3.860 -1.834 198 1HB ASP 36 HB2 ASP 36 12.788 1.944 -0.076 199 2HB ASP 36 HB1 ASP 36 11.090 2.296 0.091 200 H LYS 37 HN LYS 37 11.028 4.000 -3.186 201 HA LYS 37 HA LYS 37 9.372 6.304 -2.471 202 1HB LYS 37 HB2 LYS 37 10.779 5.688 -4.799 203 2HB LYS 37 HB1 LYS 37 9.196 5.060 -5.100 204 1HG LYS 37 HG2 LYS 37 8.214 7.354 -4.707 205 2HG LYS 37 HG1 LYS 37 9.886 7.956 -4.674 206 1HD LYS 37 HD2 LYS 37 10.290 7.097 -6.916 207 2HD LYS 37 HD1 LYS 37 8.686 6.394 -6.970 208 1HE LYS 37 HE2 LYS 37 7.780 8.787 -6.766 209 2HE LYS 37 HE1 LYS 37 9.412 9.353 -7.104 210 1HZ LYS 37 HZ1 LYS 37 8.257 9.268 -9.122 211 2HZ LYS 37 HZ2 LYS 37 7.735 7.703 -8.877 212 3HZ LYS 37 HZ3 LYS 37 9.369 8.012 -9.144 213 H ALA 38 HN ALA 38 7.141 6.274 -3.373 214 HA ALA 38 HA ALA 38 5.829 4.083 -2.159 215 1HB ALA 38 HB1 ALA 38 4.253 6.247 -3.757 216 2HB ALA 38 HB2 ALA 38 4.570 6.371 -2.057 217 3HB ALA 38 HB3 ALA 38 3.554 5.109 -2.667 218 HA PRO 39 HA PRO 39 4.461 2.494 -6.522 219 1HB PRO 39 HB2 PRO 39 6.414 2.620 -8.429 220 2HB PRO 39 HB1 PRO 39 5.135 3.835 -8.292 221 1HG PRO 39 HG2 PRO 39 7.923 3.910 -7.176 222 2HG PRO 39 HG1 PRO 39 7.072 5.155 -8.111 223 1HD PRO 39 HD2 PRO 39 7.184 5.387 -5.487 224 2HD PRO 39 HD1 PRO 39 5.678 5.692 -6.390 225 H ALA 40 HN ALA 40 7.796 2.538 -5.408 226 HA ALA 40 HA ALA 40 8.178 -0.222 -6.153 227 1HB ALA 40 HB1 ALA 40 10.388 -0.135 -4.879 228 2HB ALA 40 HB2 ALA 40 9.944 1.346 -4.139 229 3HB ALA 40 HB3 ALA 40 10.281 1.317 -5.850 230 H VAL 41 HN VAL 41 7.186 1.490 -3.308 231 HA VAL 41 HA VAL 41 6.964 -0.854 -1.647 232 HB VAL 41 HB VAL 41 5.391 1.716 -1.426 233 1HG1 VAL 41 HG11 VAL 41 5.615 -0.527 0.808 234 2HG1 VAL 41 HG12 VAL 41 4.264 -0.242 -0.164 235 3HG1 VAL 41 HG13 VAL 41 4.651 0.921 1.037 236 1HG2 VAL 41 HG21 VAL 41 8.075 1.090 0.195 237 2HG2 VAL 41 HG22 VAL 41 7.143 2.489 0.506 238 3HG2 VAL 41 HG23 VAL 41 7.895 2.324 -0.994 239 H ILE 42 HN ILE 42 4.984 0.668 -3.881 240 HA ILE 42 HA ILE 42 2.483 -0.638 -3.572 241 HB ILE 42 HB ILE 42 3.951 0.190 -6.058 242 1HG1 ILE 42 HG12 ILE 42 1.655 1.504 -4.601 243 2HG1 ILE 42 HG11 ILE 42 3.128 2.258 -4.986 244 1HG2 ILE 42 HG21 ILE 42 2.245 -1.694 -6.723 245 2HG2 ILE 42 HG22 ILE 42 1.732 -0.164 -7.427 246 3HG2 ILE 42 HG23 ILE 42 1.001 -0.709 -5.964 247 1HD1 ILE 42 HD11 ILE 42 2.668 2.286 -7.416 248 2HD1 ILE 42 HD12 ILE 42 1.552 3.282 -6.545 249 3HD1 ILE 42 HD13 ILE 42 1.046 1.708 -7.149 250 H ARG 43 HN ARG 43 5.250 -1.474 -5.508 251 HA ARG 43 HA ARG 43 4.426 -4.055 -6.183 252 1HB ARG 43 HB2 ARG 43 6.662 -2.419 -6.732 253 2HB ARG 43 HB1 ARG 43 7.238 -3.943 -6.202 254 1HG ARG 43 HG2 ARG 43 6.081 -5.278 -7.851 255 2HG ARG 43 HG1 ARG 43 5.015 -3.962 -8.208 256 1HD ARG 43 HD2 ARG 43 6.690 -4.465 -10.022 257 2HD ARG 43 HD1 ARG 43 6.597 -2.819 -9.528 258 HE ARG 43 HE ARG 43 8.626 -4.362 -8.143 259 1HH1 ARG 43 HH11 ARG 43 7.942 -2.336 -10.961 260 2HH1 ARG 43 HH12 ARG 43 9.565 -2.146 -11.405 261 1HH2 ARG 43 HH21 ARG 43 10.880 -4.065 -8.708 262 2HH2 ARG 43 HH22 ARG 43 11.292 -3.146 -10.074 263 H LYS 44 HN LYS 44 6.664 -2.903 -3.681 264 HA LYS 44 HA LYS 44 7.627 -5.361 -2.678 265 1HB LYS 44 HB2 LYS 44 7.104 -2.940 -0.966 266 2HB LYS 44 HB1 LYS 44 8.236 -4.232 -0.650 267 1HG LYS 44 HG2 LYS 44 8.425 -2.241 -2.877 268 2HG LYS 44 HG1 LYS 44 9.353 -2.197 -1.376 269 1HD LYS 44 HD2 LYS 44 10.373 -4.207 -1.900 270 2HD LYS 44 HD1 LYS 44 9.423 -4.458 -3.361 271 1HE LYS 44 HE2 LYS 44 11.551 -3.313 -4.286 272 2HE LYS 44 HE1 LYS 44 10.270 -2.156 -4.175 273 1HZ LYS 44 HZ1 LYS 44 11.139 -1.127 -2.269 274 2HZ LYS 44 HZ2 LYS 44 12.445 -1.423 -3.277 275 3HZ LYS 44 HZ3 LYS 44 12.184 -2.420 -1.964 276 H ALA 45 HN ALA 45 4.882 -3.468 -1.712 277 HA ALA 45 HA ALA 45 4.366 -5.246 0.502 278 1HB ALA 45 HB1 ALA 45 2.467 -3.001 -0.491 279 2HB ALA 45 HB2 ALA 45 3.641 -2.758 0.769 280 3HB ALA 45 HB3 ALA 45 2.293 -3.840 1.013 281 H MET 46 HN MET 46 2.948 -4.844 -2.679 282 HA MET 46 HA MET 46 1.224 -7.001 -2.114 283 1HB MET 46 HB2 MET 46 0.551 -7.075 -4.400 284 2HB MET 46 HB1 MET 46 0.616 -5.430 -3.830 285 1HG MET 46 HG2 MET 46 2.713 -5.048 -5.223 286 2HG MET 46 HG1 MET 46 2.671 -6.734 -5.725 287 1HE MET 46 HE1 MET 46 -0.635 -6.665 -7.870 288 2HE MET 46 HE2 MET 46 -0.565 -7.012 -6.145 289 3HE MET 46 HE3 MET 46 0.653 -7.683 -7.231 290 H ASP 47 HN ASP 47 4.453 -6.825 -3.441 291 HA ASP 47 HA ASP 47 4.953 -9.423 -4.336 292 1HB ASP 47 HB2 ASP 47 6.666 -7.238 -3.882 293 2HB ASP 47 HB1 ASP 47 6.838 -8.213 -2.505 294 H LYS 48 HN LYS 48 4.968 -7.980 -1.262 295 HA LYS 48 HA LYS 48 6.089 -9.950 0.307 296 1HB LYS 48 HB2 LYS 48 5.144 -7.435 0.601 297 2HB LYS 48 HB1 LYS 48 4.099 -8.389 1.610 298 1HG LYS 48 HG2 LYS 48 6.142 -7.440 2.795 299 2HG LYS 48 HG1 LYS 48 5.801 -9.140 3.055 300 1HD LYS 48 HD2 LYS 48 8.195 -8.721 2.690 301 2HD LYS 48 HD1 LYS 48 7.558 -9.746 1.450 302 1HE LYS 48 HE2 LYS 48 7.428 -7.834 -0.141 303 2HE LYS 48 HE1 LYS 48 8.054 -6.738 1.074 304 1HZ LYS 48 HZ1 LYS 48 9.423 -9.059 -0.148 305 2HZ LYS 48 HZ2 LYS 48 10.057 -8.180 1.136 306 3HZ LYS 48 HZ3 LYS 48 9.803 -7.423 -0.347 307 H HIS 49 HN HIS 49 3.013 -9.711 -0.964 308 HA HIS 49 HA HIS 49 1.860 -11.636 0.921 309 1HB HIS 49 HB2 HIS 49 0.582 -10.497 -1.580 310 2HB HIS 49 HB1 HIS 49 -0.132 -11.666 -0.486 311 HD2 HIS 49 HD2 HIS 49 1.316 -8.044 0.225 312 HE1 HIS 49 HE1 HIS 49 -2.131 -8.709 2.577 313 HE2 HIS 49 HE2 HIS 49 -0.405 -7.041 1.848 314 H ASN 50 HN ASN 50 3.888 -11.849 -1.558 315 HA ASN 50 HA ASN 50 4.660 -13.351 -2.902 316 1HB ASN 50 HB2 ASN 50 4.803 -14.651 -0.735 317 2HB ASN 50 HB1 ASN 50 3.292 -15.432 -1.187 318 1HD2 ASN 50 HD21 ASN 50 6.662 -15.115 -1.879 319 2HD2 ASN 50 HD22 ASN 50 6.803 -16.497 -2.895 320 H LEU 51 HN LEU 51 3.214 -12.337 -4.256 321 HA LEU 51 HA LEU 51 1.698 -14.260 -5.650 322 1HB LEU 51 HB2 LEU 51 -0.191 -12.427 -6.005 323 2HB LEU 51 HB1 LEU 51 -0.329 -13.644 -4.738 324 HG LEU 51 HG LEU 51 0.426 -11.774 -3.248 325 1HD1 LEU 51 HD11 LEU 51 1.213 -10.125 -5.266 326 2HD1 LEU 51 HD12 LEU 51 0.026 -9.372 -4.219 327 3HD1 LEU 51 HD13 LEU 51 -0.481 -10.110 -5.692 328 1HD2 LEU 51 HD21 LEU 51 -1.838 -12.536 -3.300 329 2HD2 LEU 51 HD22 LEU 51 -2.136 -11.695 -4.800 330 3HD2 LEU 51 HD23 LEU 51 -1.946 -10.767 -3.334 331 H GLU 52 HN GLU 52 3.341 -14.328 -6.792 332 HA GLU 52 HA GLU 52 4.447 -12.290 -8.366 333 1HB GLU 52 HB2 GLU 52 4.333 -15.270 -8.778 334 2HB GLU 52 HB1 GLU 52 5.213 -14.190 -9.840 335 1HG GLU 52 HG2 GLU 52 5.763 -14.665 -6.907 336 2HG GLU 52 HG1 GLU 52 6.709 -15.229 -8.276 337 H GLU 53 HN GLU 53 1.572 -14.028 -8.660 338 HA GLU 53 HA GLU 53 1.266 -13.821 -11.507 339 1HB GLU 53 HB2 GLU 53 -0.997 -14.666 -11.082 340 2HB GLU 53 HB1 GLU 53 0.236 -15.626 -10.271 341 1HG GLU 53 HG2 GLU 53 -0.265 -14.316 -8.177 342 2HG GLU 53 HG1 GLU 53 -1.610 -13.604 -9.064 343 H GLU 54 HN GLU 54 0.914 -11.564 -9.002 344 HA GLU 54 HA GLU 54 -1.142 -10.086 -10.456 345 1HB GLU 54 HB2 GLU 54 -0.296 -9.987 -7.603 346 2HB GLU 54 HB1 GLU 54 -1.538 -8.959 -8.267 347 1HG GLU 54 HG2 GLU 54 -1.614 -11.976 -7.988 348 2HG GLU 54 HG1 GLU 54 -2.481 -10.824 -6.996 349 H GLU 55 HN GLU 55 -0.471 -8.224 -11.425 350 HA GLU 55 HA GLU 55 2.047 -7.042 -10.565 351 1HB GLU 55 HB2 GLU 55 0.536 -7.078 -13.108 352 2HB GLU 55 HB1 GLU 55 1.593 -5.709 -12.797 353 1HG GLU 55 HG2 GLU 55 2.791 -7.278 -14.146 354 2HG GLU 55 HG1 GLU 55 3.451 -7.306 -12.507 355 HA PRO 56 HA PRO 56 0.048 -3.312 -9.033 356 1HB PRO 56 HB2 PRO 56 2.200 -1.893 -10.547 357 2HB PRO 56 HB1 PRO 56 1.752 -1.745 -8.839 358 1HG PRO 56 HG2 PRO 56 3.923 -3.003 -9.574 359 2HG PRO 56 HG1 PRO 56 2.908 -3.671 -8.279 360 1HD PRO 56 HD2 PRO 56 3.130 -4.554 -11.142 361 2HD PRO 56 HD1 PRO 56 2.982 -5.516 -9.657 362 H GLU 57 HN GLU 57 0.580 -3.906 -12.339 363 HA GLU 57 HA GLU 57 -0.824 -1.623 -13.340 364 1HB GLU 57 HB2 GLU 57 -0.174 -4.252 -14.682 365 2HB GLU 57 HB1 GLU 57 -0.786 -2.821 -15.499 366 1HG GLU 57 HG2 GLU 57 1.829 -3.010 -14.029 367 2HG GLU 57 HG1 GLU 57 1.634 -3.078 -15.781 368 H ASP 58 HN ASP 58 -1.801 -4.380 -11.727 369 HA ASP 58 HA ASP 58 -4.528 -4.302 -12.837 370 1HB ASP 58 HB2 ASP 58 -3.136 -6.436 -12.684 371 2HB ASP 58 HB1 ASP 58 -3.288 -6.291 -11.002 372 H TYR 59 HN TYR 59 -2.572 -3.736 -10.068 373 HA TYR 59 HA TYR 59 -4.979 -3.244 -8.406 374 1HB TYR 59 HB2 TYR 59 -2.319 -4.293 -7.572 375 2HB TYR 59 HB1 TYR 59 -3.543 -3.672 -6.471 376 HD1 TYR 59 HD1 TYR 59 -4.899 -5.123 -5.431 377 HD2 TYR 59 HD2 TYR 59 -3.279 -6.228 -9.174 378 HE1 TYR 59 HE1 TYR 59 -5.916 -7.333 -5.171 379 HE2 TYR 59 HE2 TYR 59 -4.363 -8.458 -8.970 380 HH TYR 59 HH TYR 59 -5.214 -9.883 -7.405 381 H GLU 60 HN GLU 60 -4.713 -1.766 -6.680 382 HA GLU 60 HA GLU 60 -2.700 0.375 -7.017 383 1HB GLU 60 HB2 GLU 60 -5.637 0.630 -6.382 384 2HB GLU 60 HB1 GLU 60 -4.487 1.957 -6.375 385 1HG GLU 60 HG2 GLU 60 -4.981 0.292 -8.779 386 2HG GLU 60 HG1 GLU 60 -6.015 1.688 -8.405 387 H LEU 61 HN LEU 61 -2.114 1.335 -5.005 388 HA LEU 61 HA LEU 61 -3.121 -0.073 -2.702 389 1HB LEU 61 HB2 LEU 61 -1.093 -0.652 -2.263 390 2HB LEU 61 HB1 LEU 61 -0.449 0.269 -3.561 391 HG LEU 61 HG LEU 61 -0.853 1.529 -0.828 392 1HD1 LEU 61 HD11 LEU 61 1.842 0.856 -0.386 393 2HD1 LEU 61 HD12 LEU 61 1.705 -0.163 -1.764 394 3HD1 LEU 61 HD13 LEU 61 0.795 -0.509 -0.389 395 1HD2 LEU 61 HD21 LEU 61 -0.391 2.947 -2.911 396 2HD2 LEU 61 HD22 LEU 61 1.281 2.489 -2.949 397 3HD2 LEU 61 HD23 LEU 61 0.591 3.296 -1.574 398 H LEU 62 HN LEU 62 -4.132 0.822 -1.134 399 HA LEU 62 HA LEU 62 -4.894 3.661 -1.555 400 1HB LEU 62 HB2 LEU 62 -6.236 1.497 -2.207 401 2HB LEU 62 HB1 LEU 62 -6.642 1.423 -0.544 402 HG LEU 62 HG LEU 62 -7.421 3.514 -2.525 403 1HD1 LEU 62 HD11 LEU 62 -8.742 1.611 -2.830 404 2HD1 LEU 62 HD12 LEU 62 -9.750 2.750 -1.957 405 3HD1 LEU 62 HD13 LEU 62 -9.006 1.412 -1.096 406 1HD2 LEU 62 HD21 LEU 62 -8.093 3.481 0.474 407 2HD2 LEU 62 HD22 LEU 62 -9.022 4.421 -0.605 408 3HD2 LEU 62 HD23 LEU 62 -7.383 4.892 -0.290 409 H GLN 63 HN GLN 63 -4.696 4.891 0.553 410 HA GLN 63 HA GLN 63 -4.367 3.448 3.007 411 1HB GLN 63 HB2 GLN 63 -4.290 6.237 2.187 412 2HB GLN 63 HB1 GLN 63 -4.698 5.910 3.898 413 1HG GLN 63 HG2 GLN 63 -2.616 4.431 3.813 414 2HG GLN 63 HG1 GLN 63 -2.209 5.288 2.372 415 1HE2 GLN 63 HE21 GLN 63 -3.221 7.996 3.526 416 2HE2 GLN 63 HE22 GLN 63 -1.885 8.409 4.511 417 H ILE 64 HN ILE 64 -5.760 3.208 4.499 418 HA ILE 64 HA ILE 64 -8.385 4.367 4.191 419 HB ILE 64 HB ILE 64 -7.682 1.540 4.681 420 1HG1 ILE 64 HG12 ILE 64 -10.057 1.813 3.077 421 2HG1 ILE 64 HG11 ILE 64 -9.128 3.212 2.873 422 1HG2 ILE 64 HG21 ILE 64 -9.310 2.252 6.724 423 2HG2 ILE 64 HG22 ILE 64 -10.061 1.064 5.736 424 3HG2 ILE 64 HG23 ILE 64 -10.493 2.726 5.539 425 1HD1 ILE 64 HD11 ILE 64 -7.299 2.123 1.978 426 2HD1 ILE 64 HD12 ILE 64 -8.749 1.463 1.226 427 3HD1 ILE 64 HD13 ILE 64 -7.926 0.550 2.483 428 H LEU 65 HN LEU 65 -9.141 5.381 5.958 429 HA LEU 65 HA LEU 65 -7.506 5.284 8.379 430 1HB LEU 65 HB2 LEU 65 -9.270 7.437 7.173 431 2HB LEU 65 HB1 LEU 65 -8.724 7.435 8.795 432 HG LEU 65 HG LEU 65 -6.418 7.655 8.197 433 1HD1 LEU 65 HD11 LEU 65 -6.236 6.592 5.840 434 2HD1 LEU 65 HD12 LEU 65 -5.602 8.148 5.694 435 3HD1 LEU 65 HD13 LEU 65 -7.163 7.857 5.098 436 1HD2 LEU 65 HD21 LEU 65 -7.702 9.805 8.661 437 2HD2 LEU 65 HD22 LEU 65 -8.251 9.933 7.067 438 3HD2 LEU 65 HD23 LEU 65 -6.581 10.254 7.421 439 H SER 66 HN SER 66 -10.672 6.450 7.604 440 HA SER 66 HA SER 66 -11.913 4.306 9.088 441 1HB SER 66 HB2 SER 66 -13.544 6.300 9.729 442 2HB SER 66 HB1 SER 66 -12.079 6.018 10.673 443 HG SER 66 HG SER 66 -12.394 7.872 8.521 444 H ASP 67 HN ASP 67 -14.511 4.778 8.494 445 HA ASP 67 HA ASP 67 -14.446 4.489 5.631 446 1HB ASP 67 HB2 ASP 67 -15.827 2.956 7.030 447 2HB ASP 67 HB1 ASP 67 -16.859 4.321 7.454 448 H ASP 68 HN ASP 68 -13.831 6.723 5.258 449 HA ASP 68 HA ASP 68 -16.026 8.474 4.768 450 1HB ASP 68 HB2 ASP 68 -15.178 10.405 6.124 451 2HB ASP 68 HB1 ASP 68 -15.778 9.156 7.171 452 H ARG 69 HN ARG 69 -12.559 8.735 5.358 453 HA ARG 69 HA ARG 69 -12.302 9.956 2.711 454 1HB ARG 69 HB2 ARG 69 -10.863 10.651 5.268 455 2HB ARG 69 HB1 ARG 69 -10.638 11.447 3.714 456 1HG ARG 69 HG2 ARG 69 -13.014 12.291 3.854 457 2HG ARG 69 HG1 ARG 69 -13.182 11.535 5.392 458 1HD ARG 69 HD2 ARG 69 -11.169 13.690 4.811 459 2HD ARG 69 HD1 ARG 69 -12.686 13.856 5.686 460 HE ARG 69 HE ARG 69 -11.602 11.944 7.097 461 1HH1 ARG 69 HH11 ARG 69 -10.106 14.917 5.917 462 2HH1 ARG 69 HH12 ARG 69 -9.011 15.068 7.198 463 1HH2 ARG 69 HH21 ARG 69 -10.034 12.098 8.849 464 2HH2 ARG 69 HH22 ARG 69 -8.937 13.406 8.891 465 H LYS 70 HN LYS 70 -11.178 8.514 1.563 466 HA LYS 70 HA LYS 70 -9.060 7.105 2.945 467 1HB LYS 70 HB2 LYS 70 -10.848 5.828 0.841 468 2HB LYS 70 HB1 LYS 70 -9.626 5.019 1.815 469 1HG LYS 70 HG2 LYS 70 -11.076 5.743 3.866 470 2HG LYS 70 HG1 LYS 70 -12.315 6.066 2.689 471 1HD LYS 70 HD2 LYS 70 -11.034 3.466 3.327 472 2HD LYS 70 HD1 LYS 70 -12.684 3.965 3.623 473 1HE LYS 70 HE2 LYS 70 -11.507 3.667 0.838 474 2HE LYS 70 HE1 LYS 70 -12.513 2.428 1.555 475 1HZ LYS 70 HZ1 LYS 70 -14.331 4.030 1.642 476 2HZ LYS 70 HZ2 LYS 70 -13.776 3.846 0.074 477 3HZ LYS 70 HZ3 LYS 70 -13.375 5.222 0.948 478 H LEU 71 HN LEU 71 -7.231 6.673 1.542 479 HA LEU 71 HA LEU 71 -7.135 8.739 -0.592 480 1HB LEU 71 HB2 LEU 71 -5.037 8.005 1.372 481 2HB LEU 71 HB1 LEU 71 -4.888 9.278 0.202 482 HG LEU 71 HG LEU 71 -6.761 9.218 2.598 483 1HD1 LEU 71 HD11 LEU 71 -4.521 9.640 3.228 484 2HD1 LEU 71 HD12 LEU 71 -5.461 11.131 3.381 485 3HD1 LEU 71 HD13 LEU 71 -4.369 10.904 2.012 486 1HD2 LEU 71 HD21 LEU 71 -7.861 10.398 0.723 487 2HD2 LEU 71 HD22 LEU 71 -6.489 11.512 0.603 488 3HD2 LEU 71 HD23 LEU 71 -7.469 11.465 2.052 489 H LYS 72 HN LYS 72 -6.585 7.868 -2.484 490 HA LYS 72 HA LYS 72 -5.283 5.323 -2.619 491 1HB LYS 72 HB2 LYS 72 -6.330 7.250 -4.661 492 2HB LYS 72 HB1 LYS 72 -5.384 5.842 -5.133 493 1HG LYS 72 HG2 LYS 72 -6.950 4.425 -4.709 494 2HG LYS 72 HG1 LYS 72 -7.410 5.192 -3.203 495 1HD LYS 72 HD2 LYS 72 -8.219 5.999 -6.070 496 2HD LYS 72 HD1 LYS 72 -9.263 5.143 -4.946 497 1HE LYS 72 HE2 LYS 72 -9.519 7.135 -3.560 498 2HE LYS 72 HE1 LYS 72 -8.254 7.973 -4.482 499 1HZ LYS 72 HZ1 LYS 72 -10.897 7.072 -5.488 500 2HZ LYS 72 HZ2 LYS 72 -9.739 7.993 -6.338 501 3HZ LYS 72 HZ3 LYS 72 -10.484 8.629 -4.984 502 H ILE 73 HN ILE 73 -3.142 4.975 -3.012 503 HA ILE 73 HA ILE 73 -1.482 7.369 -2.937 504 HB ILE 73 HB ILE 73 -0.921 4.494 -2.234 505 1HG1 ILE 73 HG12 ILE 73 -2.556 5.272 -0.790 506 2HG1 ILE 73 HG11 ILE 73 -1.129 4.942 0.093 507 1HG2 ILE 73 HG21 ILE 73 1.228 5.449 -0.974 508 2HG2 ILE 73 HG22 ILE 73 0.943 6.997 -1.721 509 3HG2 ILE 73 HG23 ILE 73 1.309 5.648 -2.697 510 1HD1 ILE 73 HD11 ILE 73 -0.777 7.639 0.415 511 2HD1 ILE 73 HD12 ILE 73 -2.232 7.113 1.115 512 3HD1 ILE 73 HD13 ILE 73 -2.300 7.886 -0.391 513 HA PRO 74 HA PRO 74 -0.379 6.058 -7.035 514 1HB PRO 74 HB2 PRO 74 0.202 8.387 -8.041 515 2HB PRO 74 HB1 PRO 74 -1.409 8.128 -7.402 516 1HG PRO 74 HG2 PRO 74 0.903 9.468 -6.068 517 2HG PRO 74 HG1 PRO 74 -0.760 10.054 -6.199 518 1HD PRO 74 HD2 PRO 74 0.220 8.652 -3.985 519 2HD PRO 74 HD1 PRO 74 -1.492 8.749 -4.451 520 H GLU 75 HN GLU 75 1.601 7.047 -8.482 521 HA GLU 75 HA GLU 75 3.858 5.766 -7.235 522 1HB GLU 75 HB2 GLU 75 4.682 5.990 -9.720 523 2HB GLU 75 HB1 GLU 75 3.596 4.709 -9.223 524 1HG GLU 75 HG2 GLU 75 2.684 5.674 -11.358 525 2HG GLU 75 HG1 GLU 75 1.653 5.977 -9.997 526 H ASN 76 HN ASN 76 3.062 8.898 -8.481 527 HA ASN 76 HA ASN 76 5.774 9.877 -8.534 528 1HB ASN 76 HB2 ASN 76 4.000 10.673 -10.069 529 2HB ASN 76 HB1 ASN 76 3.155 11.384 -8.703 530 1HD2 ASN 76 HD21 ASN 76 6.630 11.412 -9.443 531 2HD2 ASN 76 HD22 ASN 76 6.766 13.113 -9.582 532 H ALA 77 HN ALA 77 3.661 9.353 -6.049 533 HA ALA 77 HA ALA 77 4.625 11.697 -4.528 534 1HB ALA 77 HB1 ALA 77 2.025 11.316 -4.461 535 2HB ALA 77 HB2 ALA 77 2.695 11.309 -2.861 536 3HB ALA 77 HB3 ALA 77 2.335 9.815 -3.624 537 H ASN 78 HN ASN 78 5.809 11.548 -2.654 538 HA ASN 78 HA ASN 78 7.182 9.082 -2.067 539 1HB ASN 78 HB2 ASN 78 7.083 11.665 -0.429 540 2HB ASN 78 HB1 ASN 78 8.148 10.343 -0.098 541 1HD2 ASN 78 HD21 ASN 78 8.681 9.914 -3.015 542 2HD2 ASN 78 HD22 ASN 78 9.721 11.202 -3.462 543 H VAL 79 HN VAL 79 6.853 7.728 -0.276 544 HA VAL 79 HA VAL 79 4.155 7.384 0.555 545 HB VAL 79 HB VAL 79 6.680 6.372 1.882 546 1HG1 VAL 79 HG11 VAL 79 4.631 6.190 3.523 547 2HG1 VAL 79 HG12 VAL 79 5.155 4.580 3.084 548 3HG1 VAL 79 HG13 VAL 79 3.784 5.257 2.302 549 1HG2 VAL 79 HG21 VAL 79 4.830 4.827 -0.068 550 2HG2 VAL 79 HG22 VAL 79 6.035 4.052 0.849 551 3HG2 VAL 79 HG23 VAL 79 6.521 5.178 -0.385 552 H PHE 80 HN PHE 80 6.878 8.845 2.032 553 HA PHE 80 HA PHE 80 5.786 9.248 4.565 554 1HB PHE 80 HB2 PHE 80 8.089 10.362 3.143 555 2HB PHE 80 HB1 PHE 80 7.596 11.241 4.510 556 HD1 PHE 80 HD1 PHE 80 9.283 7.947 3.563 557 HD2 PHE 80 HD2 PHE 80 7.403 10.078 6.907 558 HE1 PHE 80 HE1 PHE 80 10.140 6.391 5.110 559 HE2 PHE 80 HE2 PHE 80 8.335 8.489 8.374 560 HZ PHE 80 HZ PHE 80 9.709 6.605 7.533 561 H TYR 81 HN TYR 81 5.454 11.007 1.690 562 HA TYR 81 HA TYR 81 4.275 13.257 3.087 563 1HB TYR 81 HB2 TYR 81 5.396 12.738 0.468 564 2HB TYR 81 HB1 TYR 81 4.338 14.104 0.581 565 HD1 TYR 81 HD1 TYR 81 4.914 16.071 2.337 566 HD2 TYR 81 HD2 TYR 81 7.955 13.005 1.454 567 HE1 TYR 81 HE1 TYR 81 6.647 17.383 3.301 568 HE2 TYR 81 HE2 TYR 81 9.552 14.414 2.428 569 HH TYR 81 HH TYR 81 9.946 16.682 2.927 570 H ALA 82 HN ALA 82 3.415 10.563 1.091 571 HA ALA 82 HA ALA 82 0.784 11.665 0.583 572 1HB ALA 82 HB1 ALA 82 0.364 9.501 -0.732 573 2HB ALA 82 HB2 ALA 82 1.825 8.849 -0.070 574 3HB ALA 82 HB3 ALA 82 1.933 10.158 -1.196 575 H MET 83 HN MET 83 2.253 9.728 3.004 576 HA MET 83 HA MET 83 -0.268 8.597 3.795 577 1HB MET 83 HB2 MET 83 0.906 7.238 5.385 578 2HB MET 83 HB1 MET 83 1.858 7.366 3.958 579 1HG MET 83 HG2 MET 83 3.547 7.726 5.499 580 2HG MET 83 HG1 MET 83 2.928 9.378 5.342 581 1HE MET 83 HE1 MET 83 2.778 6.111 7.526 582 2HE MET 83 HE2 MET 83 1.064 6.419 7.223 583 3HE MET 83 HE3 MET 83 1.729 6.640 8.837 584 H ASN 84 HN ASN 84 -0.952 8.777 6.172 585 HA ASN 84 HA ASN 84 -1.541 11.585 6.363 586 1HB ASN 84 HB2 ASN 84 -3.239 10.825 7.876 587 2HB ASN 84 HB1 ASN 84 -3.467 10.215 6.284 588 1HD2 ASN 84 HD21 ASN 84 -2.524 7.489 6.131 589 2HD2 ASN 84 HD22 ASN 84 -2.764 6.760 7.618 590 H SER 85 HN SER 85 0.018 9.170 8.237 591 HA SER 85 HA SER 85 1.240 9.113 10.260 592 1HB SER 85 HB2 SER 85 2.439 11.193 10.949 593 2HB SER 85 HB1 SER 85 2.696 10.760 9.264 594 HG SER 85 HG SER 85 0.655 12.363 9.238 595 H THR 86 HN THR 86 -0.956 11.882 10.606 596 HA THR 86 HA THR 86 -1.006 11.615 13.439 597 HB THR 86 HB THR 86 -2.859 13.170 11.619 598 HG1 THR 86 HG1 THR 86 -1.281 14.667 11.506 599 1HG2 THR 86 HG21 THR 86 -3.004 14.765 13.667 600 2HG2 THR 86 HG22 THR 86 -1.893 13.711 14.483 601 3HG2 THR 86 HG23 THR 86 -3.497 13.140 14.165 602 H ALA 87 HN ALA 87 -2.441 9.678 11.183 603 HA ALA 87 HA ALA 87 -4.688 9.016 12.929 604 1HB ALA 87 HB1 ALA 87 -5.142 9.117 9.859 605 2HB ALA 87 HB2 ALA 87 -5.498 10.450 10.914 606 3HB ALA 87 HB3 ALA 87 -6.386 9.007 11.103 607 H ASN 88 HN ASN 88 -5.560 6.595 12.232 608 HA ASN 88 HA ASN 88 -3.468 4.869 12.406 609 1HB ASN 88 HB2 ASN 88 -5.066 3.091 11.878 610 2HB ASN 88 HB1 ASN 88 -5.808 4.281 12.935 611 1HD2 ASN 88 HD21 ASN 88 -5.886 2.756 9.853 612 2HD2 ASN 88 HD22 ASN 88 -7.312 3.529 9.273 613 H TYR 89 HN TYR 89 -2.828 3.152 10.841 614 HA TYR 89 HA TYR 89 -2.467 4.369 8.230 615 1HB TYR 89 HB2 TYR 89 -0.217 3.056 8.355 616 2HB TYR 89 HB1 TYR 89 -0.367 4.683 8.887 617 HD1 TYR 89 HD1 TYR 89 0.528 5.131 11.507 618 HD2 TYR 89 HD2 TYR 89 -0.593 0.989 10.291 619 HE1 TYR 89 HE1 TYR 89 1.214 4.247 13.521 620 HE2 TYR 89 HE2 TYR 89 0.176 0.296 12.371 621 HH TYR 89 HH TYR 89 0.848 2.420 14.938 622 H ASP 90 HN ASP 90 -4.236 3.130 7.388 623 HA ASP 90 HA ASP 90 -3.488 0.278 7.153 624 1HB ASP 90 HB2 ASP 90 -5.816 0.541 8.240 625 2HB ASP 90 HB1 ASP 90 -6.321 1.441 6.847 626 H PHE 91 HN PHE 91 -3.009 -0.492 5.193 627 HA PHE 91 HA PHE 91 -3.714 1.192 2.951 628 1HB PHE 91 HB2 PHE 91 -1.139 -0.332 3.390 629 2HB PHE 91 HB1 PHE 91 -1.619 0.262 1.803 630 HD1 PHE 91 HD1 PHE 91 -1.056 1.608 5.282 631 HD2 PHE 91 HD2 PHE 91 -0.678 2.193 1.100 632 HE1 PHE 91 HE1 PHE 91 0.254 3.629 5.663 633 HE2 PHE 91 HE2 PHE 91 0.710 4.183 1.498 634 HZ PHE 91 HZ PHE 91 1.148 4.917 3.795 635 H VAL 92 HN VAL 92 -4.639 0.089 1.347 636 HA VAL 92 HA VAL 92 -4.972 -2.792 1.654 637 HB VAL 92 HB VAL 92 -6.877 -0.578 0.942 638 1HG1 VAL 92 HG11 VAL 92 -7.408 -2.609 -0.653 639 2HG1 VAL 92 HG12 VAL 92 -8.695 -2.401 0.517 640 3HG1 VAL 92 HG13 VAL 92 -7.509 -3.627 0.786 641 1HG2 VAL 92 HG21 VAL 92 -6.975 -2.704 3.058 642 2HG2 VAL 92 HG22 VAL 92 -8.259 -1.536 2.762 643 3HG2 VAL 92 HG23 VAL 92 -6.659 -0.984 3.274 644 H LEU 93 HN LEU 93 -4.464 -3.890 -0.224 645 HA LEU 93 HA LEU 93 -4.004 -2.200 -2.551 646 1HB LEU 93 HB2 LEU 93 -2.070 -3.434 -1.900 647 2HB LEU 93 HB1 LEU 93 -2.837 -4.945 -1.687 648 HG LEU 93 HG LEU 93 -3.199 -4.282 -4.335 649 1HD1 LEU 93 HD11 LEU 93 -1.342 -2.497 -4.154 650 2HD1 LEU 93 HD12 LEU 93 -0.534 -3.813 -4.942 651 3HD1 LEU 93 HD13 LEU 93 -0.342 -3.544 -3.248 652 1HD2 LEU 93 HD21 LEU 93 -1.276 -6.312 -2.892 653 2HD2 LEU 93 HD22 LEU 93 -1.780 -6.565 -4.527 654 3HD2 LEU 93 HD23 LEU 93 -2.912 -6.613 -3.233 655 H LYS 94 HN LYS 94 -5.593 -2.221 -4.139 656 HA LYS 94 HA LYS 94 -7.497 -4.313 -4.037 657 1HB LYS 94 HB2 LYS 94 -8.710 -2.352 -4.897 658 2HB LYS 94 HB1 LYS 94 -8.730 -2.531 -3.106 659 1HG LYS 94 HG2 LYS 94 -8.276 -0.181 -3.347 660 2HG LYS 94 HG1 LYS 94 -6.686 -0.767 -3.748 661 1HD LYS 94 HD2 LYS 94 -7.346 0.780 -5.407 662 2HD LYS 94 HD1 LYS 94 -7.307 -0.825 -6.136 663 1HE LYS 94 HE2 LYS 94 -9.801 0.732 -5.288 664 2HE LYS 94 HE1 LYS 94 -9.206 0.554 -6.913 665 1HZ LYS 94 HZ1 LYS 94 -11.051 -0.896 -6.525 666 2HZ LYS 94 HZ2 LYS 94 -10.330 -1.620 -5.221 667 3HZ LYS 94 HZ3 LYS 94 -9.707 -1.865 -6.769 668 H LYS 95 HN LYS 95 -8.426 -4.823 -5.979 669 HA LYS 95 HA LYS 95 -6.657 -4.662 -8.262 670 1HB LYS 95 HB2 LYS 95 -7.997 -6.696 -7.301 671 2HB LYS 95 HB1 LYS 95 -9.354 -5.937 -8.067 672 1HG LYS 95 HG2 LYS 95 -8.428 -6.258 -10.223 673 2HG LYS 95 HG1 LYS 95 -6.919 -6.909 -9.579 674 1HD LYS 95 HD2 LYS 95 -8.250 -8.690 -8.412 675 2HD LYS 95 HD1 LYS 95 -9.695 -8.081 -9.199 676 1HE LYS 95 HE2 LYS 95 -8.985 -10.009 -10.367 677 2HE LYS 95 HE1 LYS 95 -8.606 -8.657 -11.408 678 1HZ LYS 95 HZ1 LYS 95 -6.673 -10.099 -9.664 679 2HZ LYS 95 HZ2 LYS 95 -6.298 -8.810 -10.711 680 3HZ LYS 95 HZ3 LYS 95 -6.849 -10.266 -11.329 681 H ARG 96 HN ARG 96 -7.261 -3.758 -10.244 682 HA ARG 96 HA ARG 96 -9.503 -1.866 -10.212 683 1HB ARG 96 HB2 ARG 96 -7.274 -2.067 -12.268 684 2HB ARG 96 HB1 ARG 96 -8.332 -0.699 -11.972 685 1HG ARG 96 HG2 ARG 96 -7.456 -0.550 -9.796 686 2HG ARG 96 HG1 ARG 96 -6.152 -1.661 -10.240 687 1HD ARG 96 HD2 ARG 96 -6.774 1.030 -11.503 688 2HD ARG 96 HD1 ARG 96 -5.302 0.602 -10.652 689 HE ARG 96 HE ARG 96 -6.076 -0.692 -13.162 690 1HH1 ARG 96 HH11 ARG 96 -3.492 0.935 -11.236 691 2HH1 ARG 96 HH12 ARG 96 -2.449 1.033 -12.568 692 1HH2 ARG 96 HH21 ARG 96 -4.546 -0.433 -14.980 693 2HH2 ARG 96 HH22 ARG 96 -3.032 0.276 -14.671 694 H THR 97 HN THR 97 -9.640 -4.851 -10.629 695 HA THR 97 HA THR 97 -10.851 -4.722 -13.058 696 HB THR 97 HB THR 97 -8.861 -6.957 -12.375 697 HG1 THR 97 HG1 THR 97 -7.542 -5.843 -13.428 698 1HG2 THR 97 HG21 THR 97 -10.576 -6.870 -14.972 699 2HG2 THR 97 HG22 THR 97 -10.884 -8.011 -13.708 700 3HG2 THR 97 HG23 THR 97 -9.397 -8.089 -14.613 Start of MODEL 8 1 1H ASP 11 HT1 ASP 11 15.941 7.558 9.767 2 2H ASP 11 HT2 ASP 11 15.731 6.072 8.974 3 3H ASP 11 HT3 ASP 11 15.101 6.298 10.509 4 HA ASP 11 HA ASP 11 13.601 7.876 9.756 5 1HB ASP 11 HB2 ASP 11 13.310 8.315 7.330 6 2HB ASP 11 HB1 ASP 11 14.910 8.794 7.874 7 H CYS 12 HN CYS 12 11.533 6.675 9.794 8 HA CYS 12 HA CYS 12 11.147 4.541 8.030 9 1HB CYS 12 HB2 CYS 12 10.853 2.762 9.887 10 2HB CYS 12 HB1 CYS 12 12.517 3.247 9.546 11 HG CYS 12 HG CYS 12 12.695 4.901 11.754 12 H CYS 13 HN CYS 13 8.941 3.989 7.950 13 HA CYS 13 HA CYS 13 7.243 5.021 10.040 14 1HB CYS 13 HB2 CYS 13 6.885 5.055 7.057 15 2HB CYS 13 HB1 CYS 13 5.558 5.245 8.191 16 HG CYS 13 HG CYS 13 8.041 7.344 8.857 17 H ILE 14 HN ILE 14 5.544 3.678 10.551 18 HA ILE 14 HA ILE 14 5.820 0.884 9.685 19 HB ILE 14 HB ILE 14 4.638 2.152 12.139 20 1HG1 ILE 14 HG12 ILE 14 6.960 2.349 12.231 21 2HG1 ILE 14 HG11 ILE 14 6.507 1.158 13.399 22 1HG2 ILE 14 HG21 ILE 14 3.516 -0.140 11.574 23 2HG2 ILE 14 HG22 ILE 14 4.512 -0.356 13.014 24 3HG2 ILE 14 HG23 ILE 14 5.128 -0.818 11.456 25 1HD1 ILE 14 HD11 ILE 14 7.238 -0.766 11.783 26 2HD1 ILE 14 HD12 ILE 14 8.630 0.237 12.066 27 3HD1 ILE 14 HD13 ILE 14 7.714 0.404 10.603 28 H ILE 15 HN ILE 15 4.166 0.142 8.447 29 HA ILE 15 HA ILE 15 1.549 1.496 8.598 30 HB ILE 15 HB ILE 15 1.310 1.395 6.246 31 1HG1 ILE 15 HG12 ILE 15 3.998 -0.075 6.192 32 2HG1 ILE 15 HG11 ILE 15 2.491 -0.759 5.971 33 1HG2 ILE 15 HG21 ILE 15 3.195 3.289 5.548 34 2HG2 ILE 15 HG22 ILE 15 4.145 2.746 6.884 35 3HG2 ILE 15 HG23 ILE 15 2.698 3.498 7.171 36 1HD1 ILE 15 HD11 ILE 15 3.457 -0.629 3.584 37 2HD1 ILE 15 HD12 ILE 15 3.867 0.970 3.681 38 3HD1 ILE 15 HD13 ILE 15 2.179 0.526 3.617 39 H ARG 16 HN ARG 16 -0.249 0.110 7.710 40 HA ARG 16 HA ARG 16 0.311 -2.730 8.323 41 1HB ARG 16 HB2 ARG 16 -1.541 -1.197 9.572 42 2HB ARG 16 HB1 ARG 16 -2.399 -1.652 8.096 43 1HG ARG 16 HG2 ARG 16 -1.564 -4.096 8.760 44 2HG ARG 16 HG1 ARG 16 -1.561 -3.417 10.373 45 1HD ARG 16 HD2 ARG 16 -3.923 -3.701 8.505 46 2HD ARG 16 HD1 ARG 16 -3.628 -4.607 9.970 47 HE ARG 16 HE ARG 16 -4.794 -2.006 9.682 48 1HH1 ARG 16 HH11 ARG 16 -3.234 -4.061 12.149 49 2HH1 ARG 16 HH12 ARG 16 -4.101 -3.349 13.414 50 1HH2 ARG 16 HH21 ARG 16 -5.885 -1.082 11.369 51 2HH2 ARG 16 HH22 ARG 16 -5.656 -1.587 12.987 52 H VAL 17 HN VAL 17 -0.721 -4.265 6.878 53 HA VAL 17 HA VAL 17 -1.861 -3.086 4.465 54 HB VAL 17 HB VAL 17 -0.123 -5.473 4.612 55 1HG1 VAL 17 HG11 VAL 17 -0.031 -5.467 1.973 56 2HG1 VAL 17 HG12 VAL 17 -1.002 -4.070 1.934 57 3HG1 VAL 17 HG13 VAL 17 -1.705 -5.578 2.493 58 1HG2 VAL 17 HG21 VAL 17 1.423 -3.392 4.822 59 2HG2 VAL 17 HG22 VAL 17 0.812 -2.843 3.273 60 3HG2 VAL 17 HG23 VAL 17 1.767 -4.251 3.340 61 H SER 18 HN SER 18 -3.498 -4.218 3.665 62 HA SER 18 HA SER 18 -4.195 -6.823 4.620 63 1HB SER 18 HB2 SER 18 -5.252 -5.447 6.267 64 2HB SER 18 HB1 SER 18 -5.895 -4.333 5.128 65 HG SER 18 HG SER 18 -6.984 -6.549 6.122 66 H LEU 19 HN LEU 19 -6.161 -7.622 3.223 67 HA LEU 19 HA LEU 19 -5.474 -6.814 0.470 68 1HB LEU 19 HB2 LEU 19 -6.607 -9.430 1.471 69 2HB LEU 19 HB1 LEU 19 -6.386 -8.921 -0.210 70 HG LEU 19 HG LEU 19 -4.111 -9.032 1.740 71 1HD1 LEU 19 HD11 LEU 19 -4.979 -11.593 0.013 72 2HD1 LEU 19 HD12 LEU 19 -5.142 -11.436 1.687 73 3HD1 LEU 19 HD13 LEU 19 -3.572 -11.537 1.041 74 1HD2 LEU 19 HD21 LEU 19 -4.169 -9.089 -1.398 75 2HD2 LEU 19 HD22 LEU 19 -2.663 -9.056 -0.522 76 3HD2 LEU 19 HD23 LEU 19 -3.764 -7.741 -0.428 77 H ASP 20 HN ASP 20 -7.081 -6.705 -1.117 78 HA ASP 20 HA ASP 20 -9.697 -5.812 -0.236 79 1HB ASP 20 HB2 ASP 20 -8.673 -4.770 -2.272 80 2HB ASP 20 HB1 ASP 20 -8.764 -6.319 -3.076 81 H VAL 21 HN VAL 21 -8.763 -8.295 -2.539 82 HA VAL 21 HA VAL 21 -11.076 -9.619 -2.965 83 HB VAL 21 HB VAL 21 -8.976 -10.228 -4.048 84 1HG1 VAL 21 HG11 VAL 21 -8.515 -12.023 -1.569 85 2HG1 VAL 21 HG12 VAL 21 -7.323 -10.856 -2.061 86 3HG1 VAL 21 HG13 VAL 21 -7.618 -12.289 -3.011 87 1HG2 VAL 21 HG21 VAL 21 -9.534 -12.637 -4.425 88 2HG2 VAL 21 HG22 VAL 21 -10.911 -11.535 -4.492 89 3HG2 VAL 21 HG23 VAL 21 -10.648 -12.531 -3.062 90 H ASP 22 HN ASP 22 -9.098 -10.326 -0.183 91 HA ASP 22 HA ASP 22 -11.543 -11.124 1.163 92 1HB ASP 22 HB2 ASP 22 -10.332 -13.252 0.656 93 2HB ASP 22 HB1 ASP 22 -8.917 -12.624 1.504 94 H ASN 23 HN ASN 23 -11.694 -9.320 2.188 95 HA ASN 23 HA ASN 23 -9.365 -8.084 3.328 96 1HB ASN 23 HB2 ASN 23 -11.197 -6.666 2.323 97 2HB ASN 23 HB1 ASN 23 -12.235 -7.112 3.674 98 1HD2 ASN 23 HD21 ASN 23 -9.340 -5.431 2.774 99 2HD2 ASN 23 HD22 ASN 23 -9.272 -4.399 4.154 100 H GLY 24 HN GLY 24 -8.966 -7.785 5.640 101 1HA GLY 24 HA2 GLY 24 -10.671 -8.980 7.426 102 2HA GLY 24 HA1 GLY 24 -9.244 -9.933 7.084 103 H ASN 25 HN ASN 25 -9.994 -7.746 9.304 104 HA ASN 25 HA ASN 25 -7.928 -5.881 9.118 105 1HB ASN 25 HB2 ASN 25 -9.874 -5.612 10.638 106 2HB ASN 25 HB1 ASN 25 -9.248 -6.923 11.635 107 1HD2 ASN 25 HD21 ASN 25 -8.856 -3.627 10.664 108 2HD2 ASN 25 HD22 ASN 25 -7.754 -3.178 11.901 109 H MET 26 HN MET 26 -5.878 -5.963 9.572 110 HA MET 26 HA MET 26 -3.838 -6.620 10.219 111 1HB MET 26 HB2 MET 26 -5.299 -8.450 12.122 112 2HB MET 26 HB1 MET 26 -3.566 -8.476 11.914 113 1HG MET 26 HG2 MET 26 -4.534 -5.726 12.344 114 2HG MET 26 HG1 MET 26 -4.868 -6.755 13.726 115 1HE MET 26 HE1 MET 26 -2.027 -5.378 11.278 116 2HE MET 26 HE2 MET 26 -1.770 -7.123 11.216 117 3HE MET 26 HE3 MET 26 -0.588 -6.085 12.010 118 H TYR 27 HN TYR 27 -3.097 -7.202 8.344 119 HA TYR 27 HA TYR 27 -2.853 -10.077 8.003 120 1HB TYR 27 HB2 TYR 27 -3.000 -7.860 6.067 121 2HB TYR 27 HB1 TYR 27 -1.875 -9.133 5.652 122 HD1 TYR 27 HD1 TYR 27 -5.448 -8.466 6.554 123 HD2 TYR 27 HD2 TYR 27 -2.802 -11.205 4.573 124 HE1 TYR 27 HE1 TYR 27 -7.351 -9.730 5.669 125 HE2 TYR 27 HE2 TYR 27 -4.657 -12.404 3.723 126 HH TYR 27 HH TYR 27 -7.826 -11.265 3.727 127 H LYS 28 HN LYS 28 -0.794 -7.344 6.938 128 HA LYS 28 HA LYS 28 1.136 -8.134 8.898 129 1HB LYS 28 HB2 LYS 28 2.988 -8.451 7.339 130 2HB LYS 28 HB1 LYS 28 1.715 -9.646 7.166 131 1HG LYS 28 HG2 LYS 28 0.913 -8.445 5.146 132 2HG LYS 28 HG1 LYS 28 2.216 -7.293 5.351 133 1HD LYS 28 HD2 LYS 28 2.860 -9.030 3.712 134 2HD LYS 28 HD1 LYS 28 3.920 -9.010 5.117 135 1HE LYS 28 HE2 LYS 28 2.414 -10.944 6.016 136 2HE LYS 28 HE1 LYS 28 1.796 -11.005 4.370 137 1HZ LYS 28 HZ1 LYS 28 4.655 -11.373 5.046 138 2HZ LYS 28 HZ2 LYS 28 3.936 -11.555 3.535 139 3HZ LYS 28 HZ3 LYS 28 3.533 -12.590 4.779 140 H SER 29 HN SER 29 3.011 -6.683 8.981 141 HA SER 29 HA SER 29 2.209 -4.016 8.114 142 1HB SER 29 HB2 SER 29 3.830 -4.824 10.536 143 2HB SER 29 HB1 SER 29 3.279 -3.205 10.093 144 HG SER 29 HG SER 29 1.900 -5.302 11.226 145 H ILE 30 HN ILE 30 3.840 -2.670 7.265 146 HA ILE 30 HA ILE 30 6.461 -3.964 6.652 147 HB ILE 30 HB ILE 30 5.113 -1.970 4.853 148 1HG1 ILE 30 HG12 ILE 30 3.404 -3.504 4.786 149 2HG1 ILE 30 HG11 ILE 30 4.218 -3.603 3.277 150 1HG2 ILE 30 HG21 ILE 30 6.288 -3.177 2.935 151 2HG2 ILE 30 HG22 ILE 30 7.025 -4.262 4.017 152 3HG2 ILE 30 HG23 ILE 30 7.510 -2.552 4.026 153 1HD1 ILE 30 HD11 ILE 30 5.401 -5.704 3.946 154 2HD1 ILE 30 HD12 ILE 30 3.703 -5.855 3.718 155 3HD1 ILE 30 HD13 ILE 30 4.319 -5.892 5.345 156 H LEU 31 HN LEU 31 8.225 -2.703 7.008 157 HA LEU 31 HA LEU 31 7.695 -0.069 7.999 158 1HB LEU 31 HB2 LEU 31 8.983 -1.531 9.360 159 2HB LEU 31 HB1 LEU 31 10.124 -1.923 8.105 160 HG LEU 31 HG LEU 31 9.829 0.870 9.221 161 1HD1 LEU 31 HD11 LEU 31 12.089 0.355 10.513 162 2HD1 LEU 31 HD12 LEU 31 11.962 -1.291 10.035 163 3HD1 LEU 31 HD13 LEU 31 10.818 -0.637 11.180 164 1HD2 LEU 31 HD21 LEU 31 12.036 1.284 8.214 165 2HD2 LEU 31 HD22 LEU 31 10.861 0.634 7.038 166 3HD2 LEU 31 HD23 LEU 31 12.103 -0.407 7.698 167 H VAL 32 HN VAL 32 7.964 1.578 6.722 168 HA VAL 32 HA VAL 32 9.392 1.143 4.225 169 HB VAL 32 HB VAL 32 7.118 1.487 3.725 170 1HG1 VAL 32 HG11 VAL 32 7.278 4.081 5.374 171 2HG1 VAL 32 HG12 VAL 32 6.408 2.690 5.946 172 3HG1 VAL 32 HG13 VAL 32 5.794 3.630 4.582 173 1HG2 VAL 32 HG21 VAL 32 8.499 2.899 2.021 174 2HG2 VAL 32 HG22 VAL 32 8.505 4.201 3.181 175 3HG2 VAL 32 HG23 VAL 32 7.037 3.782 2.418 176 H THR 33 HN THR 33 11.139 2.458 3.785 177 HA THR 33 HA THR 33 11.783 4.557 5.734 178 HB THR 33 HB THR 33 14.019 4.543 4.453 179 HG1 THR 33 HG1 THR 33 13.782 2.128 3.299 180 1HG2 THR 33 HG21 THR 33 14.945 2.246 5.309 181 2HG2 THR 33 HG22 THR 33 13.382 1.726 5.742 182 3HG2 THR 33 HG23 THR 33 14.128 3.025 6.618 183 H SER 34 HN SER 34 12.844 6.549 4.673 184 HA SER 34 HA SER 34 10.859 7.730 2.989 185 1HB SER 34 HB2 SER 34 12.407 9.715 3.078 186 2HB SER 34 HB1 SER 34 12.121 9.122 4.703 187 HG SER 34 HG SER 34 14.064 7.967 4.574 188 H GLN 35 HN GLN 35 13.729 6.008 2.374 189 HA GLN 35 HA GLN 35 14.259 7.202 -0.167 190 1HB GLN 35 HB2 GLN 35 16.027 6.163 1.314 191 2HB GLN 35 HB1 GLN 35 15.387 4.589 0.924 192 1HG GLN 35 HG2 GLN 35 16.115 6.273 -1.348 193 2HG GLN 35 HG1 GLN 35 17.455 5.744 -0.341 194 1HE2 GLN 35 HE21 GLN 35 14.546 3.811 -1.071 195 2HE2 GLN 35 HE22 GLN 35 15.388 2.639 -2.000 196 H ASP 36 HN ASP 36 12.417 4.471 0.987 197 HA ASP 36 HA ASP 36 12.290 3.361 -1.683 198 1HB ASP 36 HB2 ASP 36 12.303 1.901 0.476 199 2HB ASP 36 HB1 ASP 36 10.606 2.303 0.625 200 H LYS 37 HN LYS 37 10.850 3.781 -3.133 201 HA LYS 37 HA LYS 37 9.011 5.947 -2.639 202 1HB LYS 37 HB2 LYS 37 9.952 4.485 -5.078 203 2HB LYS 37 HB1 LYS 37 8.761 5.755 -5.179 204 1HG LYS 37 HG2 LYS 37 11.536 6.097 -4.011 205 2HG LYS 37 HG1 LYS 37 11.091 6.491 -5.678 206 1HD LYS 37 HD2 LYS 37 9.622 8.183 -4.943 207 2HD LYS 37 HD1 LYS 37 9.730 7.651 -3.269 208 1HE LYS 37 HE2 LYS 37 12.031 8.742 -4.891 209 2HE LYS 37 HE1 LYS 37 11.063 9.676 -3.752 210 1HZ LYS 37 HZ1 LYS 37 11.834 8.250 -1.958 211 2HZ LYS 37 HZ2 LYS 37 13.138 8.890 -2.784 212 3HZ LYS 37 HZ3 LYS 37 12.729 7.307 -3.035 213 H ALA 38 HN ALA 38 6.889 5.939 -3.661 214 HA ALA 38 HA ALA 38 5.402 3.866 -2.501 215 1HB ALA 38 HB1 ALA 38 3.260 4.890 -3.389 216 2HB ALA 38 HB2 ALA 38 4.108 6.017 -4.359 217 3HB ALA 38 HB3 ALA 38 4.188 6.134 -2.640 218 HA PRO 39 HA PRO 39 4.367 2.070 -6.844 219 1HB PRO 39 HB2 PRO 39 6.539 2.054 -8.551 220 2HB PRO 39 HB1 PRO 39 5.215 3.220 -8.674 221 1HG PRO 39 HG2 PRO 39 7.865 3.523 -7.280 222 2HG PRO 39 HG1 PRO 39 7.071 4.651 -8.400 223 1HD PRO 39 HD2 PRO 39 6.897 5.129 -5.834 224 2HD PRO 39 HD1 PRO 39 5.468 5.209 -6.917 225 H ALA 40 HN ALA 40 7.620 2.180 -5.515 226 HA ALA 40 HA ALA 40 8.010 -0.687 -5.899 227 1HB ALA 40 HB1 ALA 40 10.127 0.851 -5.714 228 2HB ALA 40 HB2 ALA 40 10.168 -0.442 -4.541 229 3HB ALA 40 HB3 ALA 40 9.703 1.137 -4.046 230 H VAL 41 HN VAL 41 6.908 1.351 -3.321 231 HA VAL 41 HA VAL 41 6.607 -0.780 -1.378 232 HB VAL 41 HB VAL 41 5.003 1.773 -1.591 233 1HG1 VAL 41 HG11 VAL 41 4.199 1.293 0.963 234 2HG1 VAL 41 HG12 VAL 41 5.109 -0.183 0.902 235 3HG1 VAL 41 HG13 VAL 41 3.798 0.020 -0.142 236 1HG2 VAL 41 HG21 VAL 41 7.537 2.398 -1.089 237 2HG2 VAL 41 HG22 VAL 41 7.559 1.441 0.312 238 3HG2 VAL 41 HG23 VAL 41 6.622 2.856 0.279 239 H ILE 42 HN ILE 42 4.705 0.498 -3.827 240 HA ILE 42 HA ILE 42 2.197 -0.800 -3.504 241 HB ILE 42 HB ILE 42 3.717 -0.223 -6.042 242 1HG1 ILE 42 HG12 ILE 42 1.600 1.469 -4.682 243 2HG1 ILE 42 HG11 ILE 42 3.077 1.997 -5.322 244 1HG2 ILE 42 HG21 ILE 42 1.922 -2.015 -6.561 245 2HG2 ILE 42 HG22 ILE 42 1.413 -0.479 -7.298 246 3HG2 ILE 42 HG23 ILE 42 0.747 -0.941 -5.794 247 1HD1 ILE 42 HD11 ILE 42 2.435 1.743 -7.644 248 2HD1 ILE 42 HD12 ILE 42 1.416 2.908 -6.865 249 3HD1 ILE 42 HD13 ILE 42 0.809 1.291 -7.214 250 H ARG 43 HN ARG 43 5.029 -1.723 -5.326 251 HA ARG 43 HA ARG 43 4.305 -4.312 -5.793 252 1HB ARG 43 HB2 ARG 43 6.720 -2.781 -6.037 253 2HB ARG 43 HB1 ARG 43 7.032 -4.455 -5.878 254 1HG ARG 43 HG2 ARG 43 5.724 -5.163 -7.783 255 2HG ARG 43 HG1 ARG 43 4.843 -3.638 -7.761 256 1HD ARG 43 HD2 ARG 43 6.283 -3.905 -9.729 257 2HD ARG 43 HD1 ARG 43 6.662 -2.509 -8.822 258 HE ARG 43 HE ARG 43 8.291 -4.626 -7.918 259 1HH1 ARG 43 HH11 ARG 43 7.905 -2.744 -10.882 260 2HH1 ARG 43 HH12 ARG 43 9.430 -3.145 -11.503 261 1HH2 ARG 43 HH21 ARG 43 10.373 -5.205 -8.758 262 2HH2 ARG 43 HH22 ARG 43 10.877 -4.571 -10.252 263 H LYS 44 HN LYS 44 6.383 -3.008 -3.225 264 HA LYS 44 HA LYS 44 7.335 -5.387 -2.076 265 1HB LYS 44 HB2 LYS 44 6.601 -2.920 -0.525 266 2HB LYS 44 HB1 LYS 44 7.701 -4.180 -0.020 267 1HG LYS 44 HG2 LYS 44 8.123 -2.290 -2.311 268 2HG LYS 44 HG1 LYS 44 8.910 -2.212 -0.740 269 1HD LYS 44 HD2 LYS 44 9.946 -4.243 -1.073 270 2HD LYS 44 HD1 LYS 44 9.134 -4.565 -2.601 271 1HE LYS 44 HE2 LYS 44 11.350 -3.495 -3.369 272 2HE LYS 44 HE1 LYS 44 10.090 -2.319 -3.457 273 1HZ LYS 44 HZ1 LYS 44 10.707 -1.292 -1.447 274 2HZ LYS 44 HZ2 LYS 44 12.072 -1.484 -2.388 275 3HZ LYS 44 HZ3 LYS 44 11.802 -2.527 -1.090 276 H ALA 45 HN ALA 45 4.444 -3.619 -1.430 277 HA ALA 45 HA ALA 45 3.815 -5.388 0.757 278 1HB ALA 45 HB1 ALA 45 1.880 -3.280 -0.430 279 2HB ALA 45 HB2 ALA 45 2.975 -2.925 0.874 280 3HB ALA 45 HB3 ALA 45 1.672 -4.061 1.116 281 H MET 46 HN MET 46 2.660 -5.121 -2.557 282 HA MET 46 HA MET 46 0.961 -7.352 -2.115 283 1HB MET 46 HB2 MET 46 0.545 -7.490 -4.495 284 2HB MET 46 HB1 MET 46 0.501 -5.832 -3.934 285 1HG MET 46 HG2 MET 46 2.517 -5.268 -5.139 286 2HG MET 46 HG1 MET 46 3.011 -6.962 -5.227 287 1HE MET 46 HE1 MET 46 -0.235 -4.976 -7.837 288 2HE MET 46 HE2 MET 46 0.650 -4.139 -6.558 289 3HE MET 46 HE3 MET 46 -0.526 -5.394 -6.151 290 H ASP 47 HN ASP 47 4.300 -7.050 -3.193 291 HA ASP 47 HA ASP 47 4.816 -9.745 -3.826 292 1HB ASP 47 HB2 ASP 47 6.647 -7.578 -2.769 293 2HB ASP 47 HB1 ASP 47 7.209 -9.209 -3.079 294 H LYS 48 HN LYS 48 4.612 -8.061 -0.834 295 HA LYS 48 HA LYS 48 5.939 -9.927 0.771 296 1HB LYS 48 HB2 LYS 48 4.963 -7.453 1.100 297 2HB LYS 48 HB1 LYS 48 3.784 -8.421 1.930 298 1HG LYS 48 HG2 LYS 48 5.487 -7.598 3.510 299 2HG LYS 48 HG1 LYS 48 5.395 -9.338 3.507 300 1HD LYS 48 HD2 LYS 48 7.719 -8.661 3.550 301 2HD LYS 48 HD1 LYS 48 7.381 -9.384 2.002 302 1HE LYS 48 HE2 LYS 48 7.174 -7.229 0.930 303 2HE LYS 48 HE1 LYS 48 7.407 -6.364 2.436 304 1HZ LYS 48 HZ1 LYS 48 9.628 -7.358 2.556 305 2HZ LYS 48 HZ2 LYS 48 9.431 -6.427 1.175 306 3HZ LYS 48 HZ3 LYS 48 9.385 -8.113 1.070 307 H HIS 49 HN HIS 49 2.805 -9.685 -0.443 308 HA HIS 49 HA HIS 49 1.795 -11.919 1.210 309 1HB HIS 49 HB2 HIS 49 0.318 -10.204 -0.824 310 2HB HIS 49 HB1 HIS 49 -0.396 -11.600 -0.026 311 HD2 HIS 49 HD2 HIS 49 1.275 -8.276 1.348 312 HE1 HIS 49 HE1 HIS 49 -2.205 -9.221 3.562 313 HE2 HIS 49 HE2 HIS 49 -0.167 -7.771 3.422 314 H ASN 50 HN ASN 50 3.645 -11.612 -1.364 315 HA ASN 50 HA ASN 50 4.337 -12.806 -3.047 316 1HB ASN 50 HB2 ASN 50 4.486 -14.713 -1.532 317 2HB ASN 50 HB1 ASN 50 2.783 -15.080 -1.763 318 1HD2 ASN 50 HD21 ASN 50 5.961 -15.127 -3.261 319 2HD2 ASN 50 HD22 ASN 50 5.539 -16.259 -4.486 320 H LEU 51 HN LEU 51 3.070 -11.251 -4.108 321 HA LEU 51 HA LEU 51 1.104 -12.548 -5.897 322 1HB LEU 51 HB2 LEU 51 1.132 -9.657 -5.004 323 2HB LEU 51 HB1 LEU 51 -0.041 -10.384 -6.073 324 HG LEU 51 HG LEU 51 0.362 -11.042 -3.184 325 1HD1 LEU 51 HD11 LEU 51 -1.916 -9.598 -4.689 326 2HD1 LEU 51 HD12 LEU 51 -0.859 -8.756 -3.596 327 3HD1 LEU 51 HD13 LEU 51 -2.030 -9.920 -2.982 328 1HD2 LEU 51 HD21 LEU 51 -0.394 -12.987 -4.316 329 2HD2 LEU 51 HD22 LEU 51 -1.613 -12.080 -5.197 330 3HD2 LEU 51 HD23 LEU 51 -1.789 -12.329 -3.455 331 H GLU 52 HN GLU 52 3.662 -12.759 -6.388 332 HA GLU 52 HA GLU 52 4.734 -10.751 -8.032 333 1HB GLU 52 HB2 GLU 52 5.434 -13.674 -7.869 334 2HB GLU 52 HB1 GLU 52 6.378 -12.444 -8.710 335 1HG GLU 52 HG2 GLU 52 6.626 -11.239 -6.563 336 2HG GLU 52 HG1 GLU 52 5.811 -12.578 -5.761 337 H GLU 53 HN GLU 53 2.277 -13.037 -8.629 338 HA GLU 53 HA GLU 53 2.785 -13.199 -11.479 339 1HB GLU 53 HB2 GLU 53 0.662 -14.467 -11.618 340 2HB GLU 53 HB1 GLU 53 1.820 -15.168 -10.506 341 1HG GLU 53 HG2 GLU 53 -0.341 -13.365 -9.498 342 2HG GLU 53 HG1 GLU 53 -0.694 -15.055 -9.868 343 H GLU 54 HN GLU 54 1.850 -10.674 -9.834 344 HA GLU 54 HA GLU 54 0.135 -9.801 -11.895 345 1HB GLU 54 HB2 GLU 54 -1.436 -8.890 -9.901 346 2HB GLU 54 HB1 GLU 54 -1.741 -10.384 -10.764 347 1HG GLU 54 HG2 GLU 54 -0.336 -11.474 -8.868 348 2HG GLU 54 HG1 GLU 54 -0.651 -9.957 -8.006 349 H GLU 55 HN GLU 55 -0.059 -7.597 -12.147 350 HA GLU 55 HA GLU 55 2.352 -6.373 -11.120 351 1HB GLU 55 HB2 GLU 55 0.866 -6.187 -13.655 352 2HB GLU 55 HB1 GLU 55 1.885 -4.830 -13.189 353 1HG GLU 55 HG2 GLU 55 3.168 -6.258 -14.655 354 2HG GLU 55 HG1 GLU 55 3.792 -6.387 -13.007 355 HA PRO 56 HA PRO 56 0.428 -2.907 -9.060 356 1HB PRO 56 HB2 PRO 56 2.491 -1.279 -10.538 357 2HB PRO 56 HB1 PRO 56 2.166 -1.364 -8.799 358 1HG PRO 56 HG2 PRO 56 4.258 -2.511 -9.784 359 2HG PRO 56 HG1 PRO 56 3.262 -3.405 -8.628 360 1HD PRO 56 HD2 PRO 56 3.306 -3.631 -11.610 361 2HD PRO 56 HD1 PRO 56 3.371 -4.910 -10.371 362 H GLU 57 HN GLU 57 0.639 -2.945 -12.462 363 HA GLU 57 HA GLU 57 -1.006 -0.629 -12.724 364 1HB GLU 57 HB2 GLU 57 -1.216 -1.334 -15.155 365 2HB GLU 57 HB1 GLU 57 0.400 -0.971 -14.575 366 1HG GLU 57 HG2 GLU 57 0.772 -3.409 -14.298 367 2HG GLU 57 HG1 GLU 57 -0.797 -3.678 -15.060 368 H ASP 58 HN ASP 58 -1.668 -3.845 -11.965 369 HA ASP 58 HA ASP 58 -4.441 -3.743 -12.871 370 1HB ASP 58 HB2 ASP 58 -3.043 -5.915 -12.705 371 2HB ASP 58 HB1 ASP 58 -3.172 -5.706 -10.998 372 H TYR 59 HN TYR 59 -2.571 -3.395 -9.995 373 HA TYR 59 HA TYR 59 -4.979 -3.046 -8.333 374 1HB TYR 59 HB2 TYR 59 -2.212 -3.832 -7.566 375 2HB TYR 59 HB1 TYR 59 -3.526 -3.521 -6.455 376 HD1 TYR 59 HD1 TYR 59 -2.534 -5.878 -9.213 377 HD2 TYR 59 HD2 TYR 59 -5.002 -5.164 -5.814 378 HE1 TYR 59 HE1 TYR 59 -3.246 -8.224 -9.221 379 HE2 TYR 59 HE2 TYR 59 -5.687 -7.518 -5.811 380 HH TYR 59 HH TYR 59 -4.119 -9.848 -7.529 381 H GLU 60 HN GLU 60 -4.688 -1.680 -6.507 382 HA GLU 60 HA GLU 60 -2.703 0.485 -6.711 383 1HB GLU 60 HB2 GLU 60 -5.612 0.677 -5.926 384 2HB GLU 60 HB1 GLU 60 -4.446 1.974 -5.759 385 1HG GLU 60 HG2 GLU 60 -5.093 0.730 -8.388 386 2HG GLU 60 HG1 GLU 60 -6.061 2.024 -7.680 387 H LEU 61 HN LEU 61 -1.975 1.022 -4.610 388 HA LEU 61 HA LEU 61 -3.210 -0.536 -2.544 389 1HB LEU 61 HB2 LEU 61 -1.313 -1.193 -1.822 390 2HB LEU 61 HB1 LEU 61 -0.517 -0.523 -3.166 391 HG LEU 61 HG LEU 61 -0.816 1.114 -0.618 392 1HD1 LEU 61 HD11 LEU 61 0.443 -1.068 0.180 393 2HD1 LEU 61 HD12 LEU 61 1.699 0.089 0.085 394 3HD1 LEU 61 HD13 LEU 61 1.461 -1.028 -1.191 395 1HD2 LEU 61 HD21 LEU 61 0.072 2.267 -2.762 396 2HD2 LEU 61 HD22 LEU 61 1.574 1.435 -2.678 397 3HD2 LEU 61 HD23 LEU 61 1.049 2.492 -1.407 398 H LEU 62 HN LEU 62 -4.311 0.280 -1.057 399 HA LEU 62 HA LEU 62 -5.041 3.095 -1.479 400 1HB LEU 62 HB2 LEU 62 -6.448 0.963 -1.931 401 2HB LEU 62 HB1 LEU 62 -6.612 0.842 -0.232 402 HG LEU 62 HG LEU 62 -7.562 3.174 -1.851 403 1HD1 LEU 62 HD11 LEU 62 -9.071 0.779 -0.755 404 2HD1 LEU 62 HD12 LEU 62 -8.976 1.335 -2.444 405 3HD1 LEU 62 HD13 LEU 62 -9.861 2.258 -1.256 406 1HD2 LEU 62 HD21 LEU 62 -7.268 3.894 0.622 407 2HD2 LEU 62 HD22 LEU 62 -8.070 2.426 1.052 408 3HD2 LEU 62 HD23 LEU 62 -8.995 3.673 0.304 409 H GLN 63 HN GLN 63 -4.504 4.511 0.269 410 HA GLN 63 HA GLN 63 -4.011 3.510 2.925 411 1HB GLN 63 HB2 GLN 63 -3.975 6.269 1.758 412 2HB GLN 63 HB1 GLN 63 -3.969 6.023 3.498 413 1HG GLN 63 HG2 GLN 63 -1.959 4.602 3.147 414 2HG GLN 63 HG1 GLN 63 -2.018 5.109 1.489 415 1HE2 GLN 63 HE21 GLN 63 -2.837 7.379 4.066 416 2HE2 GLN 63 HE22 GLN 63 -1.491 8.424 3.771 417 H ILE 64 HN ILE 64 -5.196 3.622 4.566 418 HA ILE 64 HA ILE 64 -7.787 4.873 4.348 419 HB ILE 64 HB ILE 64 -7.047 2.193 5.462 420 1HG1 ILE 64 HG12 ILE 64 -9.467 2.529 3.655 421 2HG1 ILE 64 HG11 ILE 64 -7.893 2.949 3.061 422 1HG2 ILE 64 HG21 ILE 64 -8.564 3.287 7.264 423 2HG2 ILE 64 HG22 ILE 64 -9.484 2.029 6.513 424 3HG2 ILE 64 HG23 ILE 64 -9.757 3.684 6.074 425 1HD1 ILE 64 HD11 ILE 64 -7.022 0.879 3.484 426 2HD1 ILE 64 HD12 ILE 64 -8.538 0.675 2.593 427 3HD1 ILE 64 HD13 ILE 64 -8.473 0.327 4.329 428 H LEU 65 HN LEU 65 -8.175 6.264 5.619 429 HA LEU 65 HA LEU 65 -6.464 6.782 7.954 430 1HB LEU 65 HB2 LEU 65 -8.567 8.395 6.515 431 2HB LEU 65 HB1 LEU 65 -7.988 8.799 8.019 432 HG LEU 65 HG LEU 65 -5.594 8.768 6.961 433 1HD1 LEU 65 HD11 LEU 65 -7.105 9.421 4.245 434 2HD1 LEU 65 HD12 LEU 65 -6.028 8.100 4.487 435 3HD1 LEU 65 HD13 LEU 65 -5.416 9.659 4.432 436 1HD2 LEU 65 HD21 LEU 65 -5.735 11.456 6.621 437 2HD2 LEU 65 HD22 LEU 65 -6.476 10.895 8.048 438 3HD2 LEU 65 HD23 LEU 65 -7.464 11.263 6.704 439 H SER 66 HN SER 66 -9.678 7.115 6.956 440 HA SER 66 HA SER 66 -10.737 5.173 8.822 441 1HB SER 66 HB2 SER 66 -10.852 7.414 9.956 442 2HB SER 66 HB1 SER 66 -11.800 8.008 8.594 443 HG SER 66 HG SER 66 -12.461 6.123 10.564 444 H ASP 67 HN ASP 67 -13.094 4.723 8.057 445 HA ASP 67 HA ASP 67 -12.982 4.576 5.225 446 1HB ASP 67 HB2 ASP 67 -13.948 2.696 6.355 447 2HB ASP 67 HB1 ASP 67 -15.190 3.702 7.089 448 H ASP 68 HN ASP 68 -12.898 6.834 4.783 449 HA ASP 68 HA ASP 68 -15.202 7.942 3.714 450 1HB ASP 68 HB2 ASP 68 -15.735 8.685 6.020 451 2HB ASP 68 HB1 ASP 68 -14.123 9.375 6.186 452 H ARG 69 HN ARG 69 -12.240 9.089 5.320 453 HA ARG 69 HA ARG 69 -11.298 10.268 2.854 454 1HB ARG 69 HB2 ARG 69 -9.883 10.027 5.548 455 2HB ARG 69 HB1 ARG 69 -9.408 11.008 4.164 456 1HG ARG 69 HG2 ARG 69 -11.982 11.442 5.633 457 2HG ARG 69 HG1 ARG 69 -10.474 12.253 6.042 458 1HD ARG 69 HD2 ARG 69 -11.707 12.285 3.323 459 2HD ARG 69 HD1 ARG 69 -12.005 13.563 4.518 460 HE ARG 69 HE ARG 69 -9.405 12.884 3.297 461 1HH1 ARG 69 HH11 ARG 69 -11.579 15.340 4.674 462 2HH1 ARG 69 HH12 ARG 69 -10.474 16.615 4.401 463 1HH2 ARG 69 HH21 ARG 69 -7.959 14.661 2.943 464 2HH2 ARG 69 HH22 ARG 69 -8.409 16.242 3.393 465 H LYS 70 HN LYS 70 -10.547 8.877 1.397 466 HA LYS 70 HA LYS 70 -8.675 6.794 2.198 467 1HB LYS 70 HB2 LYS 70 -11.171 6.553 0.536 468 2HB LYS 70 HB1 LYS 70 -9.803 5.524 0.172 469 1HG LYS 70 HG2 LYS 70 -9.898 4.519 2.285 470 2HG LYS 70 HG1 LYS 70 -11.129 5.646 2.886 471 1HD LYS 70 HD2 LYS 70 -12.761 4.717 1.350 472 2HD LYS 70 HD1 LYS 70 -11.513 3.784 0.538 473 1HE LYS 70 HE2 LYS 70 -11.277 2.267 2.370 474 2HE LYS 70 HE1 LYS 70 -12.208 3.301 3.458 475 1HZ LYS 70 HZ1 LYS 70 -13.418 2.131 1.027 476 2HZ LYS 70 HZ2 LYS 70 -14.148 2.578 2.517 477 3HZ LYS 70 HZ3 LYS 70 -13.194 1.219 2.411 478 H LEU 71 HN LEU 71 -7.087 6.361 0.729 479 HA LEU 71 HA LEU 71 -6.856 8.221 -1.558 480 1HB LEU 71 HB2 LEU 71 -4.850 7.642 0.567 481 2HB LEU 71 HB1 LEU 71 -4.468 8.566 -0.846 482 HG LEU 71 HG LEU 71 -6.445 9.265 1.334 483 1HD1 LEU 71 HD11 LEU 71 -4.819 11.022 1.951 484 2HD1 LEU 71 HD12 LEU 71 -3.726 10.438 0.697 485 3HD1 LEU 71 HD13 LEU 71 -4.119 9.410 2.075 486 1HD2 LEU 71 HD21 LEU 71 -6.577 11.494 0.338 487 2HD2 LEU 71 HD22 LEU 71 -7.174 10.287 -0.776 488 3HD2 LEU 71 HD23 LEU 71 -5.588 11.022 -1.021 489 H LYS 72 HN LYS 72 -6.631 6.799 -3.267 490 HA LYS 72 HA LYS 72 -5.201 4.383 -2.814 491 1HB LYS 72 HB2 LYS 72 -6.458 5.568 -5.265 492 2HB LYS 72 HB1 LYS 72 -5.338 4.227 -5.443 493 1HG LYS 72 HG2 LYS 72 -6.683 2.749 -4.390 494 2HG LYS 72 HG1 LYS 72 -7.617 3.954 -3.517 495 1HD LYS 72 HD2 LYS 72 -7.621 3.122 -6.472 496 2HD LYS 72 HD1 LYS 72 -8.901 2.828 -5.310 497 1HE LYS 72 HE2 LYS 72 -9.568 5.168 -5.353 498 2HE LYS 72 HE1 LYS 72 -8.137 5.600 -6.306 499 1HZ LYS 72 HZ1 LYS 72 -10.122 5.444 -7.659 500 2HZ LYS 72 HZ2 LYS 72 -10.395 3.877 -7.141 501 3HZ LYS 72 HZ3 LYS 72 -9.038 4.238 -8.079 502 H ILE 73 HN ILE 73 -3.099 4.115 -2.992 503 HA ILE 73 HA ILE 73 -1.467 6.432 -3.691 504 HB ILE 73 HB ILE 73 -0.826 3.764 -2.501 505 1HG1 ILE 73 HG12 ILE 73 -2.116 4.721 -0.920 506 2HG1 ILE 73 HG11 ILE 73 -0.493 4.758 -0.329 507 1HG2 ILE 73 HG21 ILE 73 1.478 4.817 -1.751 508 2HG2 ILE 73 HG22 ILE 73 1.116 6.211 -2.719 509 3HG2 ILE 73 HG23 ILE 73 1.307 4.686 -3.478 510 1HD1 ILE 73 HD11 ILE 73 -2.127 7.366 -1.252 511 2HD1 ILE 73 HD12 ILE 73 -0.469 7.469 -0.774 512 3HD1 ILE 73 HD13 ILE 73 -1.646 7.029 0.360 513 HA PRO 74 HA PRO 74 -0.550 4.361 -7.504 514 1HB PRO 74 HB2 PRO 74 -0.421 6.470 -9.011 515 2HB PRO 74 HB1 PRO 74 -1.935 6.120 -8.201 516 1HG PRO 74 HG2 PRO 74 0.159 8.112 -7.420 517 2HG PRO 74 HG1 PRO 74 -1.596 8.317 -7.462 518 1HD PRO 74 HD2 PRO 74 -0.130 7.612 -5.162 519 2HD PRO 74 HD1 PRO 74 -1.878 7.413 -5.403 520 H GLU 75 HN GLU 75 1.228 5.746 -9.252 521 HA GLU 75 HA GLU 75 3.706 4.918 -8.014 522 1HB GLU 75 HB2 GLU 75 3.177 5.773 -10.795 523 2HB GLU 75 HB1 GLU 75 4.588 4.900 -10.221 524 1HG GLU 75 HG2 GLU 75 3.194 2.962 -9.708 525 2HG GLU 75 HG1 GLU 75 1.769 3.853 -10.208 526 H ASN 76 HN ASN 76 2.192 7.902 -8.969 527 HA ASN 76 HA ASN 76 4.745 9.309 -9.124 528 1HB ASN 76 HB2 ASN 76 2.947 9.631 -10.847 529 2HB ASN 76 HB1 ASN 76 1.970 10.399 -9.611 530 1HD2 ASN 76 HD21 ASN 76 5.478 10.800 -10.098 531 2HD2 ASN 76 HD22 ASN 76 5.374 12.461 -10.522 532 H ALA 77 HN ALA 77 2.791 8.536 -6.661 533 HA ALA 77 HA ALA 77 3.158 11.160 -5.322 534 1HB ALA 77 HB1 ALA 77 1.227 8.936 -4.369 535 2HB ALA 77 HB2 ALA 77 0.665 10.271 -5.314 536 3HB ALA 77 HB3 ALA 77 1.242 10.537 -3.694 537 H ASN 78 HN ASN 78 4.269 11.287 -3.344 538 HA ASN 78 HA ASN 78 6.014 8.987 -2.819 539 1HB ASN 78 HB2 ASN 78 6.128 11.821 -1.679 540 2HB ASN 78 HB1 ASN 78 7.236 10.558 -1.261 541 1HD2 ASN 78 HD21 ASN 78 7.423 9.492 -4.007 542 2HD2 ASN 78 HD22 ASN 78 8.355 10.654 -4.862 543 H VAL 79 HN VAL 79 6.117 7.868 -0.875 544 HA VAL 79 HA VAL 79 3.591 7.742 0.490 545 HB VAL 79 HB VAL 79 6.253 6.492 1.180 546 1HG1 VAL 79 HG11 VAL 79 3.467 5.759 2.422 547 2HG1 VAL 79 HG12 VAL 79 4.717 6.560 3.317 548 3HG1 VAL 79 HG13 VAL 79 4.920 4.894 2.821 549 1HG2 VAL 79 HG21 VAL 79 5.236 4.259 0.380 550 2HG2 VAL 79 HG22 VAL 79 5.263 5.395 -0.948 551 3HG2 VAL 79 HG23 VAL 79 3.794 5.079 -0.073 552 H PHE 80 HN PHE 80 6.738 8.970 1.283 553 HA PHE 80 HA PHE 80 6.199 9.593 3.995 554 1HB PHE 80 HB2 PHE 80 8.323 9.983 2.097 555 2HB PHE 80 HB1 PHE 80 8.100 11.369 3.085 556 HD1 PHE 80 HD1 PHE 80 9.303 11.359 5.379 557 HD2 PHE 80 HD2 PHE 80 8.215 7.553 3.520 558 HE1 PHE 80 HE1 PHE 80 10.287 10.168 7.146 559 HE2 PHE 80 HE2 PHE 80 9.247 6.421 5.342 560 HZ PHE 80 HZ PHE 80 10.302 7.684 7.192 561 H TYR 81 HN TYR 81 5.171 11.054 1.250 562 HA TYR 81 HA TYR 81 4.818 13.618 2.580 563 1HB TYR 81 HB2 TYR 81 4.854 12.616 -0.122 564 2HB TYR 81 HB1 TYR 81 4.095 14.159 0.111 565 HD1 TYR 81 HD1 TYR 81 7.595 12.378 0.172 566 HD2 TYR 81 HD2 TYR 81 5.608 16.280 0.709 567 HE1 TYR 81 HE1 TYR 81 9.636 13.507 0.084 568 HE2 TYR 81 HE2 TYR 81 7.759 17.285 0.601 569 HH TYR 81 HH TYR 81 10.159 16.617 1.070 570 H ALA 82 HN ALA 82 3.032 10.902 1.193 571 HA ALA 82 HA ALA 82 0.527 12.379 1.634 572 1HB ALA 82 HB1 ALA 82 -0.510 10.727 -0.027 573 2HB ALA 82 HB2 ALA 82 0.989 9.858 -0.012 574 3HB ALA 82 HB3 ALA 82 0.950 11.428 -0.744 575 H MET 83 HN MET 83 2.314 10.368 3.407 576 HA MET 83 HA MET 83 0.132 8.586 4.069 577 1HB MET 83 HB2 MET 83 1.585 7.201 5.310 578 2HB MET 83 HB1 MET 83 2.313 7.605 3.769 579 1HG MET 83 HG2 MET 83 4.167 7.865 5.122 580 2HG MET 83 HG1 MET 83 3.496 9.473 5.364 581 1HE MET 83 HE1 MET 83 3.179 5.964 8.307 582 2HE MET 83 HE2 MET 83 3.962 5.921 6.726 583 3HE MET 83 HE3 MET 83 2.206 5.992 6.842 584 H ASN 84 HN ASN 84 -0.729 8.205 5.960 585 HA ASN 84 HA ASN 84 -1.077 10.550 7.542 586 1HB ASN 84 HB2 ASN 84 -3.121 9.230 8.486 587 2HB ASN 84 HB1 ASN 84 -3.041 9.668 6.822 588 1HD2 ASN 84 HD21 ASN 84 -1.000 6.890 7.540 589 2HD2 ASN 84 HD22 ASN 84 -2.126 5.768 6.851 590 H SER 85 HN SER 85 -1.287 7.365 9.084 591 HA SER 85 HA SER 85 -0.230 6.366 10.895 592 1HB SER 85 HB2 SER 85 2.111 6.797 11.460 593 2HB SER 85 HB1 SER 85 1.914 6.575 9.729 594 HG SER 85 HG SER 85 1.793 9.043 9.799 595 H THR 86 HN THR 86 -0.186 9.870 11.213 596 HA THR 86 HA THR 86 -0.031 9.802 14.009 597 HB THR 86 HB THR 86 -1.502 11.900 12.382 598 HG1 THR 86 HG1 THR 86 1.248 11.252 12.618 599 1HG2 THR 86 HG21 THR 86 -0.628 13.451 14.273 600 2HG2 THR 86 HG22 THR 86 0.199 12.079 14.930 601 3HG2 THR 86 HG23 THR 86 -1.532 12.117 15.002 602 H ALA 87 HN ALA 87 -2.803 9.575 11.837 603 HA ALA 87 HA ALA 87 -4.309 8.484 14.071 604 1HB ALA 87 HB1 ALA 87 -5.232 10.830 13.705 605 2HB ALA 87 HB2 ALA 87 -6.388 9.547 13.490 606 3HB ALA 87 HB3 ALA 87 -5.748 10.339 12.080 607 H ASN 88 HN ASN 88 -3.884 6.488 13.453 608 HA ASN 88 HA ASN 88 -4.058 4.606 12.559 609 1HB ASN 88 HB2 ASN 88 -6.462 4.987 12.348 610 2HB ASN 88 HB1 ASN 88 -6.224 5.757 10.780 611 1HD2 ASN 88 HD21 ASN 88 -5.872 2.742 12.533 612 2HD2 ASN 88 HD22 ASN 88 -5.948 1.759 11.108 613 H TYR 89 HN TYR 89 -3.484 3.252 10.669 614 HA TYR 89 HA TYR 89 -2.375 4.573 8.453 615 1HB TYR 89 HB2 TYR 89 -0.087 3.458 8.802 616 2HB TYR 89 HB1 TYR 89 -0.458 4.971 9.508 617 HD1 TYR 89 HD1 TYR 89 -0.624 1.158 10.513 618 HD2 TYR 89 HD2 TYR 89 0.338 5.155 12.203 619 HE1 TYR 89 HE1 TYR 89 0.090 0.267 12.608 620 HE2 TYR 89 HE2 TYR 89 0.958 4.117 14.126 621 HH TYR 89 HH TYR 89 1.582 0.884 14.503 622 H ASP 90 HN ASP 90 -4.282 3.181 7.940 623 HA ASP 90 HA ASP 90 -3.400 0.409 7.516 624 1HB ASP 90 HB2 ASP 90 -6.282 1.487 7.592 625 2HB ASP 90 HB1 ASP 90 -5.888 0.091 6.662 626 H PHE 91 HN PHE 91 -3.124 -0.527 5.556 627 HA PHE 91 HA PHE 91 -3.815 1.052 3.211 628 1HB PHE 91 HB2 PHE 91 -1.169 -0.398 3.664 629 2HB PHE 91 HB1 PHE 91 -1.700 0.199 2.104 630 HD1 PHE 91 HD1 PHE 91 -1.376 1.740 5.548 631 HD2 PHE 91 HD2 PHE 91 -0.483 1.985 1.402 632 HE1 PHE 91 HE1 PHE 91 -0.107 3.748 5.946 633 HE2 PHE 91 HE2 PHE 91 0.835 3.970 1.777 634 HZ PHE 91 HZ PHE 91 1.048 4.899 4.073 635 H VAL 92 HN VAL 92 -4.663 -0.200 1.621 636 HA VAL 92 HA VAL 92 -4.784 -3.105 2.034 637 HB VAL 92 HB VAL 92 -6.976 -1.091 1.552 638 1HG1 VAL 92 HG11 VAL 92 -7.447 -3.118 -0.067 639 2HG1 VAL 92 HG12 VAL 92 -8.640 -3.063 1.215 640 3HG1 VAL 92 HG13 VAL 92 -7.337 -4.178 1.339 641 1HG2 VAL 92 HG21 VAL 92 -6.691 -3.305 3.566 642 2HG2 VAL 92 HG22 VAL 92 -8.080 -2.222 3.454 643 3HG2 VAL 92 HG23 VAL 92 -6.484 -1.575 3.842 644 H LEU 93 HN LEU 93 -4.445 -4.260 0.046 645 HA LEU 93 HA LEU 93 -4.081 -2.487 -2.242 646 1HB LEU 93 HB2 LEU 93 -2.105 -3.760 -1.679 647 2HB LEU 93 HB1 LEU 93 -2.864 -5.294 -1.624 648 HG LEU 93 HG LEU 93 -3.294 -4.289 -4.153 649 1HD1 LEU 93 HD11 LEU 93 -1.343 -2.663 -3.740 650 2HD1 LEU 93 HD12 LEU 93 -0.664 -3.879 -4.768 651 3HD1 LEU 93 HD13 LEU 93 -0.355 -3.892 -3.067 652 1HD2 LEU 93 HD21 LEU 93 -1.497 -6.592 -2.993 653 2HD2 LEU 93 HD22 LEU 93 -1.993 -6.600 -4.652 654 3HD2 LEU 93 HD23 LEU 93 -3.147 -6.739 -3.380 655 H LYS 94 HN LYS 94 -5.602 -2.454 -3.886 656 HA LYS 94 HA LYS 94 -7.523 -4.524 -3.939 657 1HB LYS 94 HB2 LYS 94 -8.750 -2.581 -4.634 658 2HB LYS 94 HB1 LYS 94 -8.668 -2.769 -2.847 659 1HG LYS 94 HG2 LYS 94 -8.273 -0.418 -3.077 660 2HG LYS 94 HG1 LYS 94 -6.695 -0.960 -3.588 661 1HD LYS 94 HD2 LYS 94 -7.485 0.589 -5.183 662 2HD LYS 94 HD1 LYS 94 -7.468 -1.002 -5.937 663 1HE LYS 94 HE2 LYS 94 -9.933 0.508 -4.918 664 2HE LYS 94 HE1 LYS 94 -9.449 0.327 -6.584 665 1HZ LYS 94 HZ1 LYS 94 -11.244 -1.089 -6.015 666 2HZ LYS 94 HZ2 LYS 94 -10.423 -1.851 -4.792 667 3HZ LYS 94 HZ3 LYS 94 -9.951 -2.079 -6.410 668 H LYS 95 HN LYS 95 -8.405 -4.868 -5.974 669 HA LYS 95 HA LYS 95 -6.671 -4.365 -8.241 670 1HB LYS 95 HB2 LYS 95 -7.743 -6.575 -7.784 671 2HB LYS 95 HB1 LYS 95 -9.304 -5.826 -7.986 672 1HG LYS 95 HG2 LYS 95 -8.805 -5.391 -10.322 673 2HG LYS 95 HG1 LYS 95 -7.208 -6.112 -10.131 674 1HD LYS 95 HD2 LYS 95 -9.820 -7.531 -9.629 675 2HD LYS 95 HD1 LYS 95 -8.913 -7.659 -11.125 676 1HE LYS 95 HE2 LYS 95 -7.781 -8.489 -8.418 677 2HE LYS 95 HE1 LYS 95 -8.464 -9.624 -9.562 678 1HZ LYS 95 HZ1 LYS 95 -6.027 -9.469 -9.654 679 2HZ LYS 95 HZ2 LYS 95 -6.153 -7.877 -10.244 680 3HZ LYS 95 HZ3 LYS 95 -6.783 -9.151 -11.112 681 H ARG 96 HN ARG 96 -7.134 -2.974 -9.943 682 HA ARG 96 HA ARG 96 -9.657 -1.466 -9.843 683 1HB ARG 96 HB2 ARG 96 -7.252 -0.961 -11.553 684 2HB ARG 96 HB1 ARG 96 -8.622 0.090 -11.379 685 1HG ARG 96 HG2 ARG 96 -7.907 0.065 -8.915 686 2HG ARG 96 HG1 ARG 96 -6.358 -0.371 -9.630 687 1HD ARG 96 HD2 ARG 96 -8.003 2.055 -10.375 688 2HD ARG 96 HD1 ARG 96 -6.409 2.044 -9.628 689 HE ARG 96 HE ARG 96 -6.219 0.657 -12.017 690 1HH1 ARG 96 HH11 ARG 96 -6.769 3.978 -10.930 691 2HH1 ARG 96 HH12 ARG 96 -6.209 4.686 -12.374 692 1HH2 ARG 96 HH21 ARG 96 -5.503 1.636 -14.018 693 2HH2 ARG 96 HH22 ARG 96 -5.452 3.329 -14.143 694 H THR 97 HN THR 97 -7.592 -3.455 -11.842 695 HA THR 97 HA THR 97 -7.669 -4.404 -13.831 696 HB THR 97 HB THR 97 -9.803 -5.082 -14.953 697 HG1 THR 97 HG1 THR 97 -10.831 -3.060 -13.469 698 1HG2 THR 97 HG21 THR 97 -9.272 -6.667 -12.932 699 2HG2 THR 97 HG22 THR 97 -10.994 -6.424 -13.049 700 3HG2 THR 97 HG23 THR 97 -10.098 -5.506 -11.921 Start of MODEL 9 1 1H ASP 11 HT1 ASP 11 14.948 7.631 5.964 2 2H ASP 11 HT2 ASP 11 15.291 7.580 7.611 3 3H ASP 11 HT3 ASP 11 15.180 9.068 6.832 4 HA ASP 11 HA ASP 11 13.272 8.627 8.131 5 1HB ASP 11 HB2 ASP 11 12.725 8.345 5.204 6 2HB ASP 11 HB1 ASP 11 11.502 8.749 6.385 7 H CYS 12 HN CYS 12 11.642 7.070 8.885 8 HA CYS 12 HA CYS 12 11.350 4.644 7.482 9 1HB CYS 12 HB2 CYS 12 11.933 3.326 9.651 10 2HB CYS 12 HB1 CYS 12 13.296 3.999 8.761 11 HG CYS 12 HG CYS 12 13.711 4.180 11.517 12 H CYS 13 HN CYS 13 9.452 3.612 8.240 13 HA CYS 13 HA CYS 13 8.045 4.556 10.538 14 1HB CYS 13 HB2 CYS 13 7.432 6.355 8.968 15 2HB CYS 13 HB1 CYS 13 6.863 5.170 7.784 16 HG CYS 13 HG CYS 13 4.606 4.454 9.260 17 H ILE 14 HN ILE 14 5.969 3.420 10.681 18 HA ILE 14 HA ILE 14 6.252 0.684 9.681 19 HB ILE 14 HB ILE 14 4.893 1.900 12.054 20 1HG1 ILE 14 HG12 ILE 14 7.177 1.892 12.406 21 2HG1 ILE 14 HG11 ILE 14 6.514 0.647 13.411 22 1HG2 ILE 14 HG21 ILE 14 5.224 -1.037 11.248 23 2HG2 ILE 14 HG22 ILE 14 3.658 -0.259 11.211 24 3HG2 ILE 14 HG23 ILE 14 4.443 -0.617 12.754 25 1HD1 ILE 14 HD11 ILE 14 7.277 -1.187 11.700 26 2HD1 ILE 14 HD12 ILE 14 8.694 -0.337 12.239 27 3HD1 ILE 14 HD13 ILE 14 7.984 0.038 10.704 28 H ILE 15 HN ILE 15 4.728 0.060 8.271 29 HA ILE 15 HA ILE 15 2.089 1.364 8.293 30 HB ILE 15 HB ILE 15 2.000 1.172 5.917 31 1HG1 ILE 15 HG12 ILE 15 4.824 0.035 6.087 32 2HG1 ILE 15 HG11 ILE 15 3.419 -0.856 5.841 33 1HG2 ILE 15 HG21 ILE 15 4.671 2.841 6.632 34 2HG2 ILE 15 HG22 ILE 15 3.146 3.425 6.903 35 3HG2 ILE 15 HG23 ILE 15 3.639 3.279 5.298 36 1HD1 ILE 15 HD11 ILE 15 4.701 0.931 3.537 37 2HD1 ILE 15 HD12 ILE 15 3.130 0.252 3.396 38 3HD1 ILE 15 HD13 ILE 15 4.482 -0.779 3.523 39 H ARG 16 HN ARG 16 0.423 -0.042 7.469 40 HA ARG 16 HA ARG 16 1.189 -2.848 7.789 41 1HB ARG 16 HB2 ARG 16 -0.191 -1.752 9.667 42 2HB ARG 16 HB1 ARG 16 -1.543 -1.770 8.579 43 1HG ARG 16 HG2 ARG 16 -1.039 -4.231 8.236 44 2HG ARG 16 HG1 ARG 16 -0.084 -4.107 9.707 45 1HD ARG 16 HD2 ARG 16 -2.979 -3.502 9.286 46 2HD ARG 16 HD1 ARG 16 -2.298 -4.799 10.245 47 HE ARG 16 HE ARG 16 -1.490 -3.153 11.831 48 1HH1 ARG 16 HH11 ARG 16 -3.856 -1.914 9.474 49 2HH1 ARG 16 HH12 ARG 16 -4.568 -0.815 10.527 50 1HH2 ARG 16 HH21 ARG 16 -2.442 -1.540 13.304 51 2HH2 ARG 16 HH22 ARG 16 -3.743 -0.585 12.762 52 H VAL 17 HN VAL 17 -0.141 -4.344 6.515 53 HA VAL 17 HA VAL 17 -1.370 -3.038 4.168 54 HB VAL 17 HB VAL 17 0.537 -5.352 4.207 55 1HG1 VAL 17 HG11 VAL 17 -0.617 -3.991 1.614 56 2HG1 VAL 17 HG12 VAL 17 -1.163 -5.542 2.187 57 3HG1 VAL 17 HG13 VAL 17 0.465 -5.347 1.601 58 1HG2 VAL 17 HG21 VAL 17 1.728 -2.991 4.414 59 2HG2 VAL 17 HG22 VAL 17 1.233 -2.725 2.730 60 3HG2 VAL 17 HG23 VAL 17 2.295 -3.974 3.106 61 H SER 18 HN SER 18 -3.253 -3.938 3.588 62 HA SER 18 HA SER 18 -3.812 -6.672 4.366 63 1HB SER 18 HB2 SER 18 -6.018 -5.957 5.421 64 2HB SER 18 HB1 SER 18 -4.817 -4.875 6.007 65 HG SER 18 HG SER 18 -5.723 -3.323 5.138 66 H LEU 19 HN LEU 19 -5.978 -7.506 2.977 67 HA LEU 19 HA LEU 19 -5.313 -6.726 0.200 68 1HB LEU 19 HB2 LEU 19 -6.285 -9.432 1.082 69 2HB LEU 19 HB1 LEU 19 -5.674 -8.822 -0.457 70 HG LEU 19 HG LEU 19 -3.898 -9.079 1.985 71 1HD1 LEU 19 HD11 LEU 19 -3.331 -11.555 1.357 72 2HD1 LEU 19 HD12 LEU 19 -4.306 -11.509 -0.052 73 3HD1 LEU 19 HD13 LEU 19 -5.030 -11.399 1.473 74 1HD2 LEU 19 HD21 LEU 19 -3.059 -7.641 0.057 75 2HD2 LEU 19 HD22 LEU 19 -3.361 -8.851 -1.082 76 3HD2 LEU 19 HD23 LEU 19 -2.035 -9.050 0.038 77 H ASP 20 HN ASP 20 -7.170 -6.003 -0.906 78 HA ASP 20 HA ASP 20 -9.761 -5.872 0.171 79 1HB ASP 20 HB2 ASP 20 -9.119 -4.645 -1.994 80 2HB ASP 20 HB1 ASP 20 -9.175 -6.210 -2.780 81 H VAL 21 HN VAL 21 -8.281 -8.245 -1.796 82 HA VAL 21 HA VAL 21 -10.299 -9.923 -2.509 83 HB VAL 21 HB VAL 21 -7.939 -10.124 -3.200 84 1HG1 VAL 21 HG11 VAL 21 -7.711 -11.937 -0.716 85 2HG1 VAL 21 HG12 VAL 21 -6.644 -10.585 -0.931 86 3HG1 VAL 21 HG13 VAL 21 -6.520 -11.998 -1.954 87 1HG2 VAL 21 HG21 VAL 21 -9.522 -11.661 -4.044 88 2HG2 VAL 21 HG22 VAL 21 -9.456 -12.652 -2.588 89 3HG2 VAL 21 HG23 VAL 21 -8.070 -12.590 -3.676 90 H ASP 22 HN ASP 22 -9.047 -9.723 0.723 91 HA ASP 22 HA ASP 22 -11.178 -11.576 1.454 92 1HB ASP 22 HB2 ASP 22 -9.299 -12.987 1.729 93 2HB ASP 22 HB1 ASP 22 -8.370 -11.791 2.627 94 H ASN 23 HN ASN 23 -9.106 -8.924 2.696 95 HA ASN 23 HA ASN 23 -11.411 -7.934 3.914 96 1HB ASN 23 HB2 ASN 23 -10.405 -7.606 6.218 97 2HB ASN 23 HB1 ASN 23 -10.907 -9.254 5.847 98 1HD2 ASN 23 HD21 ASN 23 -7.927 -7.503 5.140 99 2HD2 ASN 23 HD22 ASN 23 -6.880 -8.505 6.104 100 H GLY 24 HN GLY 24 -11.367 -5.624 3.829 101 1HA GLY 24 HA2 GLY 24 -8.903 -4.545 2.756 102 2HA GLY 24 HA1 GLY 24 -10.490 -3.791 2.756 103 H ASN 25 HN ASN 25 -8.883 -5.213 5.520 104 HA ASN 25 HA ASN 25 -7.850 -2.805 6.528 105 1HB ASN 25 HB2 ASN 25 -10.255 -2.332 6.934 106 2HB ASN 25 HB1 ASN 25 -10.377 -3.801 7.887 107 1HD2 ASN 25 HD21 ASN 25 -10.771 -0.916 8.510 108 2HD2 ASN 25 HD22 ASN 25 -9.787 -0.626 9.911 109 H MET 26 HN MET 26 -6.124 -3.541 7.264 110 HA MET 26 HA MET 26 -4.628 -4.331 8.666 111 1HB MET 26 HB2 MET 26 -6.405 -3.933 10.457 112 2HB MET 26 HB1 MET 26 -6.757 -5.632 10.264 113 1HG MET 26 HG2 MET 26 -4.492 -6.259 10.954 114 2HG MET 26 HG1 MET 26 -4.067 -4.568 10.928 115 1HE MET 26 HE1 MET 26 -3.554 -5.157 14.567 116 2HE MET 26 HE2 MET 26 -2.970 -4.513 13.017 117 3HE MET 26 HE3 MET 26 -3.186 -6.244 13.219 118 H TYR 27 HN TYR 27 -3.234 -5.623 7.772 119 HA TYR 27 HA TYR 27 -3.421 -8.273 8.848 120 1HB TYR 27 HB2 TYR 27 -2.552 -7.910 5.965 121 2HB TYR 27 HB1 TYR 27 -1.952 -9.246 6.882 122 HD1 TYR 27 HD1 TYR 27 -4.468 -10.788 7.884 123 HD2 TYR 27 HD2 TYR 27 -3.843 -8.492 4.260 124 HE1 TYR 27 HE1 TYR 27 -6.087 -12.072 6.753 125 HE2 TYR 27 HE2 TYR 27 -5.486 -9.837 3.178 126 HH TYR 27 HH TYR 27 -7.661 -11.891 4.762 127 H LYS 28 HN LYS 28 -0.702 -7.341 6.795 128 HA LYS 28 HA LYS 28 0.883 -7.837 9.220 129 1HB LYS 28 HB2 LYS 28 2.727 -8.582 7.876 130 2HB LYS 28 HB1 LYS 28 1.260 -9.441 7.445 131 1HG LYS 28 HG2 LYS 28 1.052 -8.100 5.408 132 2HG LYS 28 HG1 LYS 28 2.446 -7.160 5.865 133 1HD LYS 28 HD2 LYS 28 3.063 -8.943 4.231 134 2HD LYS 28 HD1 LYS 28 3.940 -9.076 5.751 135 1HE LYS 28 HE2 LYS 28 2.223 -10.841 6.440 136 2HE LYS 28 HE1 LYS 28 1.625 -10.777 4.783 137 1HZ LYS 28 HZ1 LYS 28 4.399 -11.510 5.549 138 2HZ LYS 28 HZ2 LYS 28 3.747 -11.559 3.990 139 3HZ LYS 28 HZ3 LYS 28 3.170 -12.583 5.177 140 H SER 29 HN SER 29 2.936 -6.894 9.446 141 HA SER 29 HA SER 29 2.839 -4.007 9.113 142 1HB SER 29 HB2 SER 29 4.839 -5.720 10.597 143 2HB SER 29 HB1 SER 29 4.503 -4.026 10.828 144 HG SER 29 HG SER 29 2.262 -5.566 11.095 145 H ILE 30 HN ILE 30 4.286 -2.892 7.806 146 HA ILE 30 HA ILE 30 6.722 -4.224 6.810 147 HB ILE 30 HB ILE 30 5.082 -2.292 5.163 148 1HG1 ILE 30 HG12 ILE 30 3.510 -4.001 5.165 149 2HG1 ILE 30 HG11 ILE 30 4.236 -3.910 3.634 150 1HG2 ILE 30 HG21 ILE 30 7.459 -2.630 4.181 151 2HG2 ILE 30 HG22 ILE 30 6.220 -3.310 3.126 152 3HG2 ILE 30 HG23 ILE 30 7.103 -4.367 4.125 153 1HD1 ILE 30 HD11 ILE 30 5.686 -5.888 4.020 154 2HD1 ILE 30 HD12 ILE 30 4.015 -6.226 3.897 155 3HD1 ILE 30 HD13 ILE 30 4.760 -6.323 5.475 156 H LEU 31 HN LEU 31 8.476 -2.898 7.114 157 HA LEU 31 HA LEU 31 7.870 -0.204 7.932 158 1HB LEU 31 HB2 LEU 31 9.134 -1.483 9.440 159 2HB LEU 31 HB1 LEU 31 10.313 -1.996 8.267 160 HG LEU 31 HG LEU 31 9.994 0.903 9.095 161 1HD1 LEU 31 HD11 LEU 31 12.046 -1.186 10.217 162 2HD1 LEU 31 HD12 LEU 31 10.888 -0.382 11.259 163 3HD1 LEU 31 HD13 LEU 31 12.189 0.501 10.531 164 1HD2 LEU 31 HD21 LEU 31 12.342 -0.529 7.847 165 2HD2 LEU 31 HD22 LEU 31 12.207 1.223 8.121 166 3HD2 LEU 31 HD23 LEU 31 11.110 0.386 7.003 167 H VAL 32 HN VAL 32 8.461 1.504 6.748 168 HA VAL 32 HA VAL 32 9.654 0.916 4.156 169 HB VAL 32 HB VAL 32 7.437 1.614 3.833 170 1HG1 VAL 32 HG11 VAL 32 6.502 3.903 4.788 171 2HG1 VAL 32 HG12 VAL 32 8.067 4.165 5.472 172 3HG1 VAL 32 HG13 VAL 32 7.080 2.873 6.105 173 1HG2 VAL 32 HG21 VAL 32 7.615 3.882 2.505 174 2HG2 VAL 32 HG22 VAL 32 8.890 2.815 2.025 175 3HG2 VAL 32 HG23 VAL 32 9.182 4.094 3.189 176 H THR 33 HN THR 33 11.560 1.956 3.607 177 HA THR 33 HA THR 33 12.591 3.991 5.474 178 HB THR 33 HB THR 33 14.833 3.420 4.385 179 HG1 THR 33 HG1 THR 33 13.683 1.080 3.358 180 1HG2 THR 33 HG21 THR 33 15.198 1.041 5.414 181 2HG2 THR 33 HG22 THR 33 13.532 0.929 5.784 182 3HG2 THR 33 HG23 THR 33 14.529 2.077 6.628 183 H SER 34 HN SER 34 14.088 5.637 4.371 184 HA SER 34 HA SER 34 12.696 7.047 2.349 185 1HB SER 34 HB2 SER 34 15.153 8.184 2.568 186 2HB SER 34 HB1 SER 34 13.971 8.606 3.776 187 HG SER 34 HG SER 34 16.243 7.285 4.034 188 H GLN 35 HN GLN 35 14.605 4.426 2.015 189 HA GLN 35 HA GLN 35 15.832 5.397 -0.481 190 1HB GLN 35 HB2 GLN 35 17.216 3.455 -0.543 191 2HB GLN 35 HB1 GLN 35 17.174 3.847 1.156 192 1HG GLN 35 HG2 GLN 35 15.558 1.978 1.545 193 2HG GLN 35 HG1 GLN 35 15.587 1.719 -0.205 194 1HE2 GLN 35 HE21 GLN 35 16.397 0.090 2.212 195 2HE2 GLN 35 HE22 GLN 35 17.983 -0.430 1.806 196 H ASP 36 HN ASP 36 12.888 4.312 0.252 197 HA ASP 36 HA ASP 36 12.643 2.978 -2.361 198 1HB ASP 36 HB2 ASP 36 12.452 1.535 -0.214 199 2HB ASP 36 HB1 ASP 36 10.899 2.277 0.005 200 H LYS 37 HN LYS 37 10.423 2.998 -3.173 201 HA LYS 37 HA LYS 37 9.078 5.624 -2.774 202 1HB LYS 37 HB2 LYS 37 9.863 4.211 -5.288 203 2HB LYS 37 HB1 LYS 37 8.581 5.376 -5.358 204 1HG LYS 37 HG2 LYS 37 10.255 7.022 -4.381 205 2HG LYS 37 HG1 LYS 37 11.438 5.721 -4.646 206 1HD LYS 37 HD2 LYS 37 10.988 5.738 -7.039 207 2HD LYS 37 HD1 LYS 37 9.637 6.836 -6.825 208 1HE LYS 37 HE2 LYS 37 11.263 8.606 -6.072 209 2HE LYS 37 HE1 LYS 37 12.591 7.540 -6.500 210 1HZ LYS 37 HZ1 LYS 37 10.564 8.554 -8.365 211 2HZ LYS 37 HZ2 LYS 37 11.856 7.536 -8.758 212 3HZ LYS 37 HZ3 LYS 37 12.142 9.103 -8.162 213 H ALA 38 HN ALA 38 6.861 5.655 -3.662 214 HA ALA 38 HA ALA 38 5.470 3.514 -2.436 215 1HB ALA 38 HB1 ALA 38 4.314 5.859 -2.396 216 2HB ALA 38 HB2 ALA 38 3.236 4.634 -2.992 217 3HB ALA 38 HB3 ALA 38 3.989 5.690 -4.100 218 HA PRO 39 HA PRO 39 4.125 1.975 -6.910 219 1HB PRO 39 HB2 PRO 39 6.308 1.941 -8.591 220 2HB PRO 39 HB1 PRO 39 5.025 3.153 -8.671 221 1HG PRO 39 HG2 PRO 39 7.679 3.307 -7.265 222 2HG PRO 39 HG1 PRO 39 6.913 4.507 -8.327 223 1HD PRO 39 HD2 PRO 39 6.755 4.869 -5.735 224 2HD PRO 39 HD1 PRO 39 5.316 5.044 -6.780 225 H ALA 40 HN ALA 40 7.471 1.850 -5.818 226 HA ALA 40 HA ALA 40 7.635 -0.985 -6.320 227 1HB ALA 40 HB1 ALA 40 9.835 0.464 -6.367 228 2HB ALA 40 HB2 ALA 40 9.967 -0.943 -5.340 229 3HB ALA 40 HB3 ALA 40 9.667 0.592 -4.629 230 H VAL 41 HN VAL 41 6.950 0.997 -3.579 231 HA VAL 41 HA VAL 41 6.863 -1.153 -1.656 232 HB VAL 41 HB VAL 41 5.250 1.405 -1.654 233 1HG1 VAL 41 HG11 VAL 41 4.096 -0.345 -0.184 234 2HG1 VAL 41 HG12 VAL 41 4.619 0.830 0.933 235 3HG1 VAL 41 HG13 VAL 41 5.504 -0.659 0.738 236 1HG2 VAL 41 HG21 VAL 41 7.806 1.945 -1.335 237 2HG2 VAL 41 HG22 VAL 41 7.929 0.948 0.049 238 3HG2 VAL 41 HG23 VAL 41 7.021 2.385 0.117 239 H ILE 42 HN ILE 42 4.581 0.085 -3.847 240 HA ILE 42 HA ILE 42 2.301 -1.456 -3.135 241 HB ILE 42 HB ILE 42 3.112 -1.187 -6.016 242 1HG1 ILE 42 HG12 ILE 42 1.940 1.088 -4.381 243 2HG1 ILE 42 HG11 ILE 42 2.972 1.069 -5.732 244 1HG2 ILE 42 HG21 ILE 42 1.084 -2.776 -5.634 245 2HG2 ILE 42 HG22 ILE 42 0.510 -1.371 -6.507 246 3HG2 ILE 42 HG23 ILE 42 0.247 -1.473 -4.811 247 1HD1 ILE 42 HD11 ILE 42 0.068 0.588 -6.292 248 2HD1 ILE 42 HD12 ILE 42 1.402 0.734 -7.400 249 3HD1 ILE 42 HD13 ILE 42 0.901 2.134 -6.510 250 H ARG 43 HN ARG 43 4.904 -2.137 -5.338 251 HA ARG 43 HA ARG 43 4.277 -4.711 -5.893 252 1HB ARG 43 HB2 ARG 43 6.637 -3.061 -6.199 253 2HB ARG 43 HB1 ARG 43 6.911 -4.754 -6.394 254 1HG ARG 43 HG2 ARG 43 5.572 -5.092 -8.201 255 2HG ARG 43 HG1 ARG 43 4.433 -3.851 -7.809 256 1HD ARG 43 HD2 ARG 43 5.494 -3.360 -9.905 257 2HD ARG 43 HD1 ARG 43 5.988 -2.158 -8.780 258 HE ARG 43 HE ARG 43 8.008 -4.031 -8.734 259 1HH1 ARG 43 HH11 ARG 43 6.325 -2.330 -11.386 260 2HH1 ARG 43 HH12 ARG 43 7.697 -2.303 -12.392 261 1HH2 ARG 43 HH21 ARG 43 9.887 -3.963 -10.199 262 2HH2 ARG 43 HH22 ARG 43 9.701 -3.209 -11.721 263 H LYS 44 HN LYS 44 6.358 -3.373 -3.391 264 HA LYS 44 HA LYS 44 7.571 -5.726 -2.330 265 1HB LYS 44 HB2 LYS 44 6.917 -3.213 -0.806 266 2HB LYS 44 HB1 LYS 44 8.070 -4.439 -0.339 267 1HG LYS 44 HG2 LYS 44 8.296 -2.622 -2.716 268 2HG LYS 44 HG1 LYS 44 9.186 -2.470 -1.201 269 1HD LYS 44 HD2 LYS 44 10.224 -4.529 -1.551 270 2HD LYS 44 HD1 LYS 44 9.344 -4.858 -3.039 271 1HE LYS 44 HE2 LYS 44 11.495 -3.776 -3.932 272 2HE LYS 44 HE1 LYS 44 10.244 -2.590 -3.928 273 1HZ LYS 44 HZ1 LYS 44 12.086 -2.811 -1.645 274 2HZ LYS 44 HZ2 LYS 44 11.037 -1.525 -1.993 275 3HZ LYS 44 HZ3 LYS 44 12.355 -1.835 -2.979 276 H ALA 45 HN ALA 45 4.735 -3.975 -1.447 277 HA ALA 45 HA ALA 45 4.294 -5.668 0.865 278 1HB ALA 45 HB1 ALA 45 3.453 -3.218 0.947 279 2HB ALA 45 HB2 ALA 45 2.155 -4.349 1.250 280 3HB ALA 45 HB3 ALA 45 2.278 -3.613 -0.291 281 H MET 46 HN MET 46 2.988 -5.527 -2.345 282 HA MET 46 HA MET 46 1.229 -7.701 -1.849 283 1HB MET 46 HB2 MET 46 0.802 -7.861 -4.199 284 2HB MET 46 HB1 MET 46 0.950 -6.163 -3.804 285 1HG MET 46 HG2 MET 46 3.018 -5.949 -4.918 286 2HG MET 46 HG1 MET 46 3.308 -7.708 -4.916 287 1HE MET 46 HE1 MET 46 3.255 -7.175 -8.601 288 2HE MET 46 HE2 MET 46 3.940 -8.015 -7.216 289 3HE MET 46 HE3 MET 46 4.089 -6.266 -7.343 290 H ASP 47 HN ASP 47 4.606 -7.456 -2.849 291 HA ASP 47 HA ASP 47 5.333 -10.069 -3.484 292 1HB ASP 47 HB2 ASP 47 6.839 -7.872 -3.350 293 2HB ASP 47 HB1 ASP 47 6.739 -8.217 -1.689 294 H LYS 48 HN LYS 48 5.255 -8.361 -0.537 295 HA LYS 48 HA LYS 48 5.965 -10.402 1.208 296 1HB LYS 48 HB2 LYS 48 5.237 -7.689 1.389 297 2HB LYS 48 HB1 LYS 48 4.333 -8.577 2.593 298 1HG LYS 48 HG2 LYS 48 6.551 -7.598 3.332 299 2HG LYS 48 HG1 LYS 48 6.289 -9.258 3.789 300 1HD LYS 48 HD2 LYS 48 8.551 -9.014 2.990 301 2HD LYS 48 HD1 LYS 48 7.697 -9.915 1.781 302 1HE LYS 48 HE2 LYS 48 7.377 -7.931 0.412 303 2HE LYS 48 HE1 LYS 48 8.195 -6.909 1.576 304 1HZ LYS 48 HZ1 LYS 48 9.770 -7.425 -0.026 305 2HZ LYS 48 HZ2 LYS 48 9.245 -9.004 -0.198 306 3HZ LYS 48 HZ3 LYS 48 10.140 -8.556 1.170 307 H HIS 49 HN HIS 49 2.930 -9.662 -0.145 308 HA HIS 49 HA HIS 49 1.629 -11.599 1.622 309 1HB HIS 49 HB2 HIS 49 0.419 -9.637 -0.324 310 2HB HIS 49 HB1 HIS 49 -0.499 -10.968 0.329 311 HD2 HIS 49 HD2 HIS 49 1.374 -7.855 1.884 312 HE1 HIS 49 HE1 HIS 49 -1.832 -9.064 4.367 313 HE2 HIS 49 HE2 HIS 49 -0.314 -7.199 3.753 314 H ASN 50 HN ASN 50 3.483 -11.972 -0.859 315 HA ASN 50 HA ASN 50 3.849 -13.442 -2.486 316 1HB ASN 50 HB2 ASN 50 3.480 -15.131 -0.707 317 2HB ASN 50 HB1 ASN 50 1.763 -15.145 -1.074 318 1HD2 ASN 50 HD21 ASN 50 4.231 -15.047 -3.665 319 2HD2 ASN 50 HD22 ASN 50 3.914 -16.660 -4.168 320 H LEU 51 HN LEU 51 2.490 -11.474 -3.256 321 HA LEU 51 HA LEU 51 0.656 -12.554 -5.314 322 1HB LEU 51 HB2 LEU 51 0.532 -9.918 -3.859 323 2HB LEU 51 HB1 LEU 51 -0.471 -10.361 -5.219 324 HG LEU 51 HG LEU 51 -0.452 -11.730 -2.567 325 1HD1 LEU 51 HD11 LEU 51 -1.483 -9.314 -2.510 326 2HD1 LEU 51 HD12 LEU 51 -2.795 -10.487 -2.387 327 3HD1 LEU 51 HD13 LEU 51 -2.414 -9.760 -3.915 328 1HD2 LEU 51 HD21 LEU 51 -1.128 -13.181 -4.333 329 2HD2 LEU 51 HD22 LEU 51 -2.235 -11.956 -4.966 330 3HD2 LEU 51 HD23 LEU 51 -2.561 -12.719 -3.400 331 H GLU 52 HN GLU 52 3.369 -12.482 -5.694 332 HA GLU 52 HA GLU 52 4.318 -10.049 -6.730 333 1HB GLU 52 HB2 GLU 52 5.161 -12.796 -7.657 334 2HB GLU 52 HB1 GLU 52 6.067 -11.305 -7.820 335 1HG GLU 52 HG2 GLU 52 7.162 -12.168 -6.046 336 2HG GLU 52 HG1 GLU 52 5.861 -11.374 -5.169 337 H GLU 53 HN GLU 53 2.147 -12.324 -7.938 338 HA GLU 53 HA GLU 53 2.475 -11.717 -10.757 339 1HB GLU 53 HB2 GLU 53 0.657 -13.317 -11.054 340 2HB GLU 53 HB1 GLU 53 1.921 -13.968 -10.021 341 1HG GLU 53 HG2 GLU 53 0.473 -13.178 -8.057 342 2HG GLU 53 HG1 GLU 53 -0.801 -12.993 -9.254 343 H GLU 54 HN GLU 54 0.855 -10.231 -8.181 344 HA GLU 54 HA GLU 54 -1.379 -9.358 -9.840 345 1HB GLU 54 HB2 GLU 54 -0.952 -9.424 -6.889 346 2HB GLU 54 HB1 GLU 54 -2.341 -8.620 -7.563 347 1HG GLU 54 HG2 GLU 54 -1.617 -11.542 -7.757 348 2HG GLU 54 HG1 GLU 54 -2.980 -10.840 -6.883 349 H GLU 55 HN GLU 55 0.589 -8.211 -10.729 350 HA GLU 55 HA GLU 55 1.974 -6.153 -9.659 351 1HB GLU 55 HB2 GLU 55 1.009 -6.721 -12.372 352 2HB GLU 55 HB1 GLU 55 1.886 -5.232 -12.059 353 1HG GLU 55 HG2 GLU 55 2.973 -7.979 -11.427 354 2HG GLU 55 HG1 GLU 55 3.309 -7.076 -12.905 355 HA PRO 56 HA PRO 56 -0.452 -2.466 -8.977 356 1HB PRO 56 HB2 PRO 56 1.874 -1.099 -10.251 357 2HB PRO 56 HB1 PRO 56 1.144 -0.846 -8.650 358 1HG PRO 56 HG2 PRO 56 3.466 -2.050 -8.902 359 2HG PRO 56 HG1 PRO 56 2.268 -2.576 -7.710 360 1HD PRO 56 HD2 PRO 56 2.967 -3.834 -10.337 361 2HD PRO 56 HD1 PRO 56 2.578 -4.570 -8.761 362 H GLU 57 HN GLU 57 0.746 -3.456 -11.990 363 HA GLU 57 HA GLU 57 -0.234 -1.599 -13.816 364 1HB GLU 57 HB2 GLU 57 -0.315 -4.614 -14.084 365 2HB GLU 57 HB1 GLU 57 -0.370 -3.461 -15.403 366 1HG GLU 57 HG2 GLU 57 1.961 -3.945 -13.554 367 2HG GLU 57 HG1 GLU 57 1.821 -4.486 -15.225 368 H ASP 58 HN ASP 58 -1.857 -4.149 -11.990 369 HA ASP 58 HA ASP 58 -4.439 -3.192 -13.047 370 1HB ASP 58 HB2 ASP 58 -3.592 -5.936 -12.187 371 2HB ASP 58 HB1 ASP 58 -5.300 -5.485 -12.200 372 H TYR 59 HN TYR 59 -2.569 -3.260 -10.261 373 HA TYR 59 HA TYR 59 -4.950 -2.913 -8.550 374 1HB TYR 59 HB2 TYR 59 -2.301 -4.054 -7.930 375 2HB TYR 59 HB1 TYR 59 -3.444 -3.545 -6.690 376 HD1 TYR 59 HD1 TYR 59 -5.029 -5.023 -5.888 377 HD2 TYR 59 HD2 TYR 59 -3.191 -5.849 -9.589 378 HE1 TYR 59 HE1 TYR 59 -6.143 -7.187 -5.910 379 HE2 TYR 59 HE2 TYR 59 -4.344 -8.024 -9.681 380 HH TYR 59 HH TYR 59 -5.354 -9.593 -8.183 381 H GLU 60 HN GLU 60 -4.503 -1.729 -6.561 382 HA GLU 60 HA GLU 60 -2.614 0.507 -6.902 383 1HB GLU 60 HB2 GLU 60 -5.488 0.647 -6.040 384 2HB GLU 60 HB1 GLU 60 -4.356 1.980 -5.960 385 1HG GLU 60 HG2 GLU 60 -5.141 0.582 -8.482 386 2HG GLU 60 HG1 GLU 60 -5.942 2.021 -7.815 387 H LEU 61 HN LEU 61 -1.899 1.312 -4.884 388 HA LEU 61 HA LEU 61 -2.864 -0.139 -2.590 389 1HB LEU 61 HB2 LEU 61 -0.803 -0.573 -2.100 390 2HB LEU 61 HB1 LEU 61 -0.320 0.332 -3.485 391 HG LEU 61 HG LEU 61 -0.617 1.727 -0.824 392 1HD1 LEU 61 HD11 LEU 61 1.125 -0.202 -0.296 393 2HD1 LEU 61 HD12 LEU 61 2.104 1.185 -0.401 394 3HD1 LEU 61 HD13 LEU 61 1.975 0.119 -1.741 395 1HD2 LEU 61 HD21 LEU 61 1.327 2.588 -3.177 396 2HD2 LEU 61 HD22 LEU 61 0.865 3.502 -1.763 397 3HD2 LEU 61 HD23 LEU 61 -0.299 3.108 -2.908 398 H LEU 62 HN LEU 62 -3.985 0.688 -1.146 399 HA LEU 62 HA LEU 62 -4.801 3.512 -1.504 400 1HB LEU 62 HB2 LEU 62 -6.100 1.327 -2.179 401 2HB LEU 62 HB1 LEU 62 -6.467 1.188 -0.520 402 HG LEU 62 HG LEU 62 -7.398 3.427 -2.330 403 1HD1 LEU 62 HD11 LEU 62 -8.817 1.048 -1.206 404 2HD1 LEU 62 HD12 LEU 62 -8.605 1.574 -2.899 405 3HD1 LEU 62 HD13 LEU 62 -9.640 2.473 -1.818 406 1HD2 LEU 62 HD21 LEU 62 -8.904 4.157 -0.385 407 2HD2 LEU 62 HD22 LEU 62 -7.258 4.268 0.189 408 3HD2 LEU 62 HD23 LEU 62 -8.228 2.880 0.550 409 H GLN 63 HN GLN 63 -4.866 4.766 0.624 410 HA GLN 63 HA GLN 63 -4.204 3.298 3.015 411 1HB GLN 63 HB2 GLN 63 -4.513 6.083 2.283 412 2HB GLN 63 HB1 GLN 63 -4.804 5.663 4.004 413 1HG GLN 63 HG2 GLN 63 -2.570 4.448 3.776 414 2HG GLN 63 HG1 GLN 63 -2.322 5.407 2.364 415 1HE2 GLN 63 HE21 GLN 63 -3.699 7.848 3.755 416 2HE2 GLN 63 HE22 GLN 63 -2.388 8.475 4.612 417 H ILE 64 HN ILE 64 -5.480 2.823 4.543 418 HA ILE 64 HA ILE 64 -8.271 3.603 4.362 419 HB ILE 64 HB ILE 64 -7.113 0.896 4.630 420 1HG1 ILE 64 HG12 ILE 64 -9.571 0.891 3.143 421 2HG1 ILE 64 HG11 ILE 64 -8.914 2.440 3.053 422 1HG2 ILE 64 HG21 ILE 64 -8.680 1.200 6.782 423 2HG2 ILE 64 HG22 ILE 64 -9.334 -0.010 5.731 424 3HG2 ILE 64 HG23 ILE 64 -9.997 1.590 5.706 425 1HD1 ILE 64 HD11 ILE 64 -7.254 0.136 2.369 426 2HD1 ILE 64 HD12 ILE 64 -7.023 1.842 1.925 427 3HD1 ILE 64 HD13 ILE 64 -8.343 0.903 1.237 428 H LEU 65 HN LEU 65 -9.116 4.438 6.134 429 HA LEU 65 HA LEU 65 -7.447 4.431 8.500 430 1HB LEU 65 HB2 LEU 65 -9.497 6.385 7.476 431 2HB LEU 65 HB1 LEU 65 -8.981 6.341 9.102 432 HG LEU 65 HG LEU 65 -6.656 6.742 8.515 433 1HD1 LEU 65 HD11 LEU 65 -7.510 7.299 5.508 434 2HD1 LEU 65 HD12 LEU 65 -6.395 6.097 6.043 435 3HD1 LEU 65 HD13 LEU 65 -5.958 7.726 6.114 436 1HD2 LEU 65 HD21 LEU 65 -8.561 9.107 7.726 437 2HD2 LEU 65 HD22 LEU 65 -6.927 9.399 8.240 438 3HD2 LEU 65 HD23 LEU 65 -8.060 8.726 9.321 439 H SER 66 HN SER 66 -10.907 5.085 8.114 440 HA SER 66 HA SER 66 -11.467 2.480 9.253 441 1HB SER 66 HB2 SER 66 -12.513 4.987 10.571 442 2HB SER 66 HB1 SER 66 -12.856 3.285 10.958 443 HG SER 66 HG SER 66 -10.274 3.497 10.902 444 H ASP 67 HN ASP 67 -12.377 1.939 7.429 445 HA ASP 67 HA ASP 67 -13.847 1.696 5.683 446 1HB ASP 67 HB2 ASP 67 -16.070 1.064 6.363 447 2HB ASP 67 HB1 ASP 67 -14.911 0.505 7.553 448 H ASP 68 HN ASP 68 -13.305 4.585 6.005 449 HA ASP 68 HA ASP 68 -15.503 5.469 4.328 450 1HB ASP 68 HB2 ASP 68 -16.361 5.972 6.580 451 2HB ASP 68 HB1 ASP 68 -14.924 6.936 6.907 452 H ARG 69 HN ARG 69 -12.972 6.974 6.280 453 HA ARG 69 HA ARG 69 -12.208 8.552 4.000 454 1HB ARG 69 HB2 ARG 69 -11.016 8.403 6.784 455 2HB ARG 69 HB1 ARG 69 -10.304 9.362 5.500 456 1HG ARG 69 HG2 ARG 69 -12.451 10.627 5.353 457 2HG ARG 69 HG1 ARG 69 -13.030 9.800 6.783 458 1HD ARG 69 HD2 ARG 69 -10.544 11.479 6.612 459 2HD ARG 69 HD1 ARG 69 -12.085 11.970 7.300 460 HE ARG 69 HE ARG 69 -11.355 9.716 8.680 461 1HH1 ARG 69 HH11 ARG 69 -9.881 12.888 8.080 462 2HH1 ARG 69 HH12 ARG 69 -9.154 12.988 9.621 463 1HH2 ARG 69 HH21 ARG 69 -10.299 9.869 10.795 464 2HH2 ARG 69 HH22 ARG 69 -9.383 11.268 11.162 465 H LYS 70 HN LYS 70 -11.378 7.376 2.427 466 HA LYS 70 HA LYS 70 -9.013 5.843 3.069 467 1HB LYS 70 HB2 LYS 70 -10.978 4.770 1.052 468 2HB LYS 70 HB1 LYS 70 -9.723 3.909 1.924 469 1HG LYS 70 HG2 LYS 70 -11.213 4.477 4.019 470 2HG LYS 70 HG1 LYS 70 -12.475 4.671 2.815 471 1HD LYS 70 HD2 LYS 70 -10.904 2.260 3.551 472 2HD LYS 70 HD1 LYS 70 -12.637 2.503 3.603 473 1HE LYS 70 HE2 LYS 70 -11.040 2.396 1.014 474 2HE LYS 70 HE1 LYS 70 -11.945 1.022 1.608 475 1HZ LYS 70 HZ1 LYS 70 -13.184 2.219 -0.050 476 2HZ LYS 70 HZ2 LYS 70 -13.087 3.661 0.802 477 3HZ LYS 70 HZ3 LYS 70 -13.957 2.372 1.431 478 H LEU 71 HN LEU 71 -7.461 6.007 1.390 479 HA LEU 71 HA LEU 71 -8.118 7.910 -0.816 480 1HB LEU 71 HB2 LEU 71 -5.793 7.936 0.989 481 2HB LEU 71 HB1 LEU 71 -6.054 9.108 -0.280 482 HG LEU 71 HG LEU 71 -7.648 8.809 2.294 483 1HD1 LEU 71 HD11 LEU 71 -6.892 11.081 2.773 484 2HD1 LEU 71 HD12 LEU 71 -5.959 11.073 1.276 485 3HD1 LEU 71 HD13 LEU 71 -5.558 9.946 2.574 486 1HD2 LEU 71 HD21 LEU 71 -9.189 9.388 0.445 487 2HD2 LEU 71 HD22 LEU 71 -8.225 10.833 0.087 488 3HD2 LEU 71 HD23 LEU 71 -9.035 10.668 1.630 489 H LYS 72 HN LYS 72 -7.033 7.395 -2.749 490 HA LYS 72 HA LYS 72 -5.313 5.090 -2.698 491 1HB LYS 72 HB2 LYS 72 -6.215 6.799 -5.001 492 2HB LYS 72 HB1 LYS 72 -4.996 5.553 -5.192 493 1HG LYS 72 HG2 LYS 72 -6.854 4.433 -5.843 494 2HG LYS 72 HG1 LYS 72 -6.727 4.016 -4.141 495 1HD LYS 72 HD2 LYS 72 -8.404 5.673 -3.486 496 2HD LYS 72 HD1 LYS 72 -8.515 6.250 -5.146 497 1HE LYS 72 HE2 LYS 72 -9.634 4.216 -5.854 498 2HE LYS 72 HE1 LYS 72 -9.306 3.460 -4.279 499 1HZ LYS 72 HZ1 LYS 72 -11.570 4.255 -4.582 500 2HZ LYS 72 HZ2 LYS 72 -11.020 5.846 -4.731 501 3HZ LYS 72 HZ3 LYS 72 -10.814 5.012 -3.307 502 H ILE 73 HN ILE 73 -3.195 4.944 -3.047 503 HA ILE 73 HA ILE 73 -1.680 7.449 -2.848 504 HB ILE 73 HB ILE 73 -0.991 4.592 -2.207 505 1HG1 ILE 73 HG12 ILE 73 -2.662 5.180 -0.740 506 2HG1 ILE 73 HG11 ILE 73 -1.220 4.975 0.156 507 1HG2 ILE 73 HG21 ILE 73 0.734 7.150 -1.563 508 2HG2 ILE 73 HG22 ILE 73 1.188 5.852 -2.586 509 3HG2 ILE 73 HG23 ILE 73 1.078 5.587 -0.877 510 1HD1 ILE 73 HD11 ILE 73 -2.543 7.031 1.171 511 2HD1 ILE 73 HD12 ILE 73 -2.627 7.809 -0.321 512 3HD1 ILE 73 HD13 ILE 73 -1.106 7.682 0.493 513 HA PRO 74 HA PRO 74 -0.644 6.060 -6.960 514 1HB PRO 74 HB2 PRO 74 -0.141 8.398 -8.058 515 2HB PRO 74 HB1 PRO 74 -1.753 7.970 -7.522 516 1HG PRO 74 HG2 PRO 74 0.279 9.680 -6.166 517 2HG PRO 74 HG1 PRO 74 -1.449 9.987 -6.365 518 1HD PRO 74 HD2 PRO 74 -0.326 8.868 -4.056 519 2HD PRO 74 HD1 PRO 74 -2.021 8.715 -4.551 520 H GLU 75 HN GLU 75 1.272 6.683 -8.479 521 HA GLU 75 HA GLU 75 3.513 5.673 -7.104 522 1HB GLU 75 HB2 GLU 75 3.316 6.484 -9.958 523 2HB GLU 75 HB1 GLU 75 4.570 5.490 -9.245 524 1HG GLU 75 HG2 GLU 75 2.805 3.833 -8.651 525 2HG GLU 75 HG1 GLU 75 1.667 4.845 -9.492 526 H ASN 76 HN ASN 76 2.753 8.869 -8.380 527 HA ASN 76 HA ASN 76 5.465 9.812 -8.244 528 1HB ASN 76 HB2 ASN 76 3.776 10.691 -9.864 529 2HB ASN 76 HB1 ASN 76 2.892 11.389 -8.513 530 1HD2 ASN 76 HD21 ASN 76 6.418 11.329 -8.994 531 2HD2 ASN 76 HD22 ASN 76 6.585 13.034 -9.098 532 H ALA 77 HN ALA 77 2.970 9.391 -6.018 533 HA ALA 77 HA ALA 77 3.959 11.562 -4.332 534 1HB ALA 77 HB1 ALA 77 1.612 9.673 -3.606 535 2HB ALA 77 HB2 ALA 77 1.344 11.246 -4.314 536 3HB ALA 77 HB3 ALA 77 2.024 11.103 -2.721 537 H ASN 78 HN ASN 78 5.241 11.291 -2.744 538 HA ASN 78 HA ASN 78 6.510 8.725 -2.329 539 1HB ASN 78 HB2 ASN 78 6.921 11.354 -0.837 540 2HB ASN 78 HB1 ASN 78 7.826 9.933 -0.483 541 1HD2 ASN 78 HD21 ASN 78 8.005 9.138 -3.391 542 2HD2 ASN 78 HD22 ASN 78 9.204 10.216 -3.987 543 H VAL 79 HN VAL 79 6.423 7.388 -0.548 544 HA VAL 79 HA VAL 79 3.866 7.019 0.554 545 HB VAL 79 HB VAL 79 6.543 6.047 1.552 546 1HG1 VAL 79 HG11 VAL 79 3.747 4.955 2.419 547 2HG1 VAL 79 HG12 VAL 79 4.786 5.857 3.478 548 3HG1 VAL 79 HG13 VAL 79 5.237 4.239 2.966 549 1HG2 VAL 79 HG21 VAL 79 4.422 4.469 -0.086 550 2HG2 VAL 79 HG22 VAL 79 5.754 3.723 0.644 551 3HG2 VAL 79 HG23 VAL 79 6.042 4.842 -0.661 552 H PHE 80 HN PHE 80 6.627 8.489 2.027 553 HA PHE 80 HA PHE 80 5.472 8.952 4.590 554 1HB PHE 80 HB2 PHE 80 7.582 10.648 3.296 555 2HB PHE 80 HB1 PHE 80 7.220 10.634 4.953 556 HD1 PHE 80 HD1 PHE 80 9.557 8.954 2.501 557 HD2 PHE 80 HD2 PHE 80 7.542 8.253 6.368 558 HE1 PHE 80 HE1 PHE 80 10.999 7.240 3.021 559 HE2 PHE 80 HE2 PHE 80 9.088 6.548 6.773 560 HZ PHE 80 HZ PHE 80 10.858 5.993 5.171 561 H TYR 81 HN TYR 81 5.527 10.834 1.721 562 HA TYR 81 HA TYR 81 4.403 13.190 2.883 563 1HB TYR 81 HB2 TYR 81 4.714 12.307 0.025 564 2HB TYR 81 HB1 TYR 81 4.132 13.861 0.462 565 HD1 TYR 81 HD1 TYR 81 5.950 15.750 0.358 566 HD2 TYR 81 HD2 TYR 81 7.232 11.676 1.343 567 HE1 TYR 81 HE1 TYR 81 8.213 16.406 0.423 568 HE2 TYR 81 HE2 TYR 81 9.478 12.468 1.374 569 HH TYR 81 HH TYR 81 10.752 14.312 0.294 570 H ALA 82 HN ALA 82 3.172 10.365 1.208 571 HA ALA 82 HA ALA 82 0.562 11.542 0.795 572 1HB ALA 82 HB1 ALA 82 1.581 9.987 -0.981 573 2HB ALA 82 HB2 ALA 82 0.045 9.337 -0.411 574 3HB ALA 82 HB3 ALA 82 1.542 8.722 0.214 575 H MET 83 HN MET 83 1.988 9.979 3.376 576 HA MET 83 HA MET 83 -0.477 8.680 4.146 577 1HB MET 83 HB2 MET 83 0.675 7.834 6.159 578 2HB MET 83 HB1 MET 83 1.427 7.500 4.629 579 1HG MET 83 HG2 MET 83 3.313 8.605 5.160 580 2HG MET 83 HG1 MET 83 2.431 9.910 5.948 581 1HE MET 83 HE1 MET 83 3.571 6.084 6.481 582 2HE MET 83 HE2 MET 83 1.855 6.153 6.878 583 3HE MET 83 HE3 MET 83 3.042 5.882 8.148 584 H ASN 84 HN ASN 84 -1.596 8.979 6.004 585 HA ASN 84 HA ASN 84 -2.078 11.718 6.609 586 1HB ASN 84 HB2 ASN 84 -3.856 10.826 7.959 587 2HB ASN 84 HB1 ASN 84 -4.077 10.259 6.344 588 1HD2 ASN 84 HD21 ASN 84 -2.803 7.634 6.182 589 2HD2 ASN 84 HD22 ASN 84 -3.134 6.819 7.607 590 H SER 85 HN SER 85 -0.676 8.968 8.006 591 HA SER 85 HA SER 85 0.545 8.385 9.952 592 1HB SER 85 HB2 SER 85 2.097 10.104 10.839 593 2HB SER 85 HB1 SER 85 2.169 9.963 9.090 594 HG SER 85 HG SER 85 1.691 12.103 10.594 595 H THR 86 HN THR 86 -1.042 11.385 10.824 596 HA THR 86 HA THR 86 -0.976 10.901 13.586 597 HB THR 86 HB THR 86 -2.899 12.681 12.085 598 HG1 THR 86 HG1 THR 86 -0.130 12.771 12.550 599 1HG2 THR 86 HG21 THR 86 -2.692 14.124 14.231 600 2HG2 THR 86 HG22 THR 86 -1.545 12.971 14.827 601 3HG2 THR 86 HG23 THR 86 -3.205 12.494 14.695 602 H ALA 87 HN ALA 87 -3.205 9.769 11.204 603 HA ALA 87 HA ALA 87 -4.972 9.032 13.418 604 1HB ALA 87 HB1 ALA 87 -6.197 9.311 10.578 605 2HB ALA 87 HB2 ALA 87 -6.282 10.473 11.883 606 3HB ALA 87 HB3 ALA 87 -6.981 8.908 12.087 607 H ASN 88 HN ASN 88 -4.322 7.227 10.218 608 HA ASN 88 HA ASN 88 -4.015 4.953 11.872 609 1HB ASN 88 HB2 ASN 88 -6.452 5.293 11.050 610 2HB ASN 88 HB1 ASN 88 -5.788 4.977 9.446 611 1HD2 ASN 88 HD21 ASN 88 -6.296 3.719 12.599 612 2HD2 ASN 88 HD22 ASN 88 -6.054 2.074 12.152 613 H TYR 89 HN TYR 89 -3.526 3.166 9.880 614 HA TYR 89 HA TYR 89 -1.981 4.340 7.812 615 1HB TYR 89 HB2 TYR 89 0.195 3.244 8.649 616 2HB TYR 89 HB1 TYR 89 -0.296 4.785 9.230 617 HD1 TYR 89 HD1 TYR 89 0.055 5.010 11.985 618 HD2 TYR 89 HD2 TYR 89 -0.904 1.049 10.224 619 HE1 TYR 89 HE1 TYR 89 0.121 3.995 14.047 620 HE2 TYR 89 HE2 TYR 89 -0.785 0.176 12.426 621 HH TYR 89 HH TYR 89 -0.809 2.094 15.172 622 H ASP 90 HN ASP 90 -4.044 2.639 7.372 623 HA ASP 90 HA ASP 90 -2.627 0.071 7.082 624 1HB ASP 90 HB2 ASP 90 -4.946 0.145 8.369 625 2HB ASP 90 HB1 ASP 90 -5.624 0.331 6.758 626 H PHE 91 HN PHE 91 -2.411 -0.753 5.066 627 HA PHE 91 HA PHE 91 -3.369 0.981 2.935 628 1HB PHE 91 HB2 PHE 91 -0.650 -0.281 3.237 629 2HB PHE 91 HB1 PHE 91 -1.227 0.341 1.696 630 HD1 PHE 91 HD1 PHE 91 -0.503 2.484 1.120 631 HD2 PHE 91 HD2 PHE 91 -0.701 1.493 5.256 632 HE1 PHE 91 HE1 PHE 91 0.633 4.585 1.705 633 HE2 PHE 91 HE2 PHE 91 0.329 3.564 5.816 634 HZ PHE 91 HZ PHE 91 1.040 5.141 4.063 635 H VAL 92 HN VAL 92 -4.109 -0.108 1.192 636 HA VAL 92 HA VAL 92 -4.360 -3.015 1.514 637 HB VAL 92 HB VAL 92 -6.360 -0.868 0.935 638 1HG1 VAL 92 HG11 VAL 92 -7.013 -2.937 -0.543 639 2HG1 VAL 92 HG12 VAL 92 -8.173 -2.720 0.756 640 3HG1 VAL 92 HG13 VAL 92 -6.971 -3.934 0.922 641 1HG2 VAL 92 HG21 VAL 92 -7.564 -1.808 2.894 642 2HG2 VAL 92 HG22 VAL 92 -5.943 -1.186 3.246 643 3HG2 VAL 92 HG23 VAL 92 -6.217 -2.916 3.108 644 H LEU 93 HN LEU 93 -4.104 -4.124 -0.428 645 HA LEU 93 HA LEU 93 -3.949 -2.445 -2.809 646 1HB LEU 93 HB2 LEU 93 -2.128 -3.697 -3.376 647 2HB LEU 93 HB1 LEU 93 -2.335 -4.707 -1.972 648 HG LEU 93 HG LEU 93 -3.801 -5.183 -4.528 649 1HD1 LEU 93 HD11 LEU 93 -1.179 -5.167 -5.053 650 2HD1 LEU 93 HD12 LEU 93 -1.833 -6.673 -5.469 651 3HD1 LEU 93 HD13 LEU 93 -0.925 -6.533 -4.032 652 1HD2 LEU 93 HD21 LEU 93 -3.093 -7.099 -2.150 653 2HD2 LEU 93 HD22 LEU 93 -3.914 -7.740 -3.536 654 3HD2 LEU 93 HD23 LEU 93 -4.661 -6.545 -2.557 655 H LYS 94 HN LYS 94 -5.615 -2.332 -4.238 656 HA LYS 94 HA LYS 94 -7.599 -4.351 -4.143 657 1HB LYS 94 HB2 LYS 94 -8.794 -2.364 -4.855 658 2HB LYS 94 HB1 LYS 94 -8.720 -2.563 -3.066 659 1HG LYS 94 HG2 LYS 94 -8.249 -0.229 -3.299 660 2HG LYS 94 HG1 LYS 94 -6.694 -0.818 -3.813 661 1HD LYS 94 HD2 LYS 94 -7.462 0.769 -5.418 662 2HD LYS 94 HD1 LYS 94 -7.451 -0.828 -6.152 663 1HE LYS 94 HE2 LYS 94 -9.949 0.643 -5.139 664 2HE LYS 94 HE1 LYS 94 -9.403 0.568 -6.793 665 1HZ LYS 94 HZ1 LYS 94 -9.881 -1.854 -6.776 666 2HZ LYS 94 HZ2 LYS 94 -11.181 -0.912 -6.412 667 3HZ LYS 94 HZ3 LYS 94 -10.440 -1.720 -5.171 668 H LYS 95 HN LYS 95 -8.634 -4.683 -6.136 669 HA LYS 95 HA LYS 95 -6.936 -4.435 -8.458 670 1HB LYS 95 HB2 LYS 95 -8.329 -6.487 -7.845 671 2HB LYS 95 HB1 LYS 95 -9.737 -5.531 -8.215 672 1HG LYS 95 HG2 LYS 95 -9.019 -5.350 -10.526 673 2HG LYS 95 HG1 LYS 95 -7.579 -6.308 -10.163 674 1HD LYS 95 HD2 LYS 95 -9.056 -8.154 -9.367 675 2HD LYS 95 HD1 LYS 95 -10.451 -7.219 -9.887 676 1HE LYS 95 HE2 LYS 95 -9.890 -8.926 -11.526 677 2HE LYS 95 HE1 LYS 95 -9.637 -7.331 -12.223 678 1HZ LYS 95 HZ1 LYS 95 -7.274 -7.583 -11.912 679 2HZ LYS 95 HZ2 LYS 95 -7.837 -8.957 -12.699 680 3HZ LYS 95 HZ3 LYS 95 -7.486 -9.030 -11.071 681 H ARG 96 HN ARG 96 -7.187 -2.940 -10.038 682 HA ARG 96 HA ARG 96 -9.708 -1.454 -10.192 683 1HB ARG 96 HB2 ARG 96 -7.110 -0.932 -11.618 684 2HB ARG 96 HB1 ARG 96 -8.511 0.100 -11.670 685 1HG ARG 96 HG2 ARG 96 -8.160 0.050 -9.073 686 2HG ARG 96 HG1 ARG 96 -6.515 -0.239 -9.615 687 1HD ARG 96 HD2 ARG 96 -6.995 2.240 -9.395 688 2HD ARG 96 HD1 ARG 96 -6.514 1.826 -11.026 689 HE ARG 96 HE ARG 96 -9.349 1.805 -10.495 690 1HH1 ARG 96 HH11 ARG 96 -6.611 3.726 -11.653 691 2HH1 ARG 96 HH12 ARG 96 -7.576 4.895 -12.407 692 1HH2 ARG 96 HH21 ARG 96 -10.660 3.377 -11.533 693 2HH2 ARG 96 HH22 ARG 96 -9.957 4.694 -12.350 694 H THR 97 HN THR 97 -7.225 -2.698 -12.352 695 HA THR 97 HA THR 97 -7.204 -3.458 -14.360 696 HB THR 97 HB THR 97 -9.620 -4.921 -13.274 697 HG1 THR 97 HG1 THR 97 -6.907 -5.636 -13.680 698 1HG2 THR 97 HG21 THR 97 -9.382 -6.674 -15.158 699 2HG2 THR 97 HG22 THR 97 -8.063 -5.814 -15.823 700 3HG2 THR 97 HG23 THR 97 -9.659 -5.119 -15.927 Start of MODEL 10 1 1H ASP 11 HT1 ASP 11 14.574 7.364 5.582 2 2H ASP 11 HT2 ASP 11 15.486 6.622 6.767 3 3H ASP 11 HT3 ASP 11 15.549 8.308 6.597 4 HA ASP 11 HA ASP 11 14.297 7.682 8.496 5 1HB ASP 11 HB2 ASP 11 12.598 8.708 6.242 6 2HB ASP 11 HB1 ASP 11 12.151 8.859 7.927 7 H CYS 12 HN CYS 12 12.349 6.468 9.350 8 HA CYS 12 HA CYS 12 11.410 4.493 7.462 9 1HB CYS 12 HB2 CYS 12 11.696 2.728 9.354 10 2HB CYS 12 HB1 CYS 12 13.173 3.282 8.566 11 HG CYS 12 HG CYS 12 12.282 4.961 11.326 12 H CYS 13 HN CYS 13 9.406 3.515 8.091 13 HA CYS 13 HA CYS 13 7.955 4.670 10.326 14 1HB CYS 13 HB2 CYS 13 7.638 6.242 8.447 15 2HB CYS 13 HB1 CYS 13 7.062 4.927 7.430 16 HG CYS 13 HG CYS 13 4.993 4.752 9.825 17 H ILE 14 HN ILE 14 6.022 3.357 10.747 18 HA ILE 14 HA ILE 14 6.192 0.777 9.389 19 HB ILE 14 HB ILE 14 6.631 0.690 11.812 20 1HG1 ILE 14 HG12 ILE 14 4.827 -1.010 12.399 21 2HG1 ILE 14 HG11 ILE 14 4.141 -0.666 10.847 22 1HG2 ILE 14 HG21 ILE 14 3.673 1.493 12.006 23 2HG2 ILE 14 HG22 ILE 14 4.937 2.516 12.644 24 3HG2 ILE 14 HG23 ILE 14 4.547 0.971 13.414 25 1HD1 ILE 14 HD11 ILE 14 6.340 -1.392 9.649 26 2HD1 ILE 14 HD12 ILE 14 5.816 -2.746 10.602 27 3HD1 ILE 14 HD13 ILE 14 7.076 -1.702 11.179 28 H ILE 15 HN ILE 15 4.461 0.074 8.337 29 HA ILE 15 HA ILE 15 1.957 1.637 8.466 30 HB ILE 15 HB ILE 15 1.776 1.463 6.081 31 1HG1 ILE 15 HG12 ILE 15 4.560 0.171 6.076 32 2HG1 ILE 15 HG11 ILE 15 3.155 -0.716 5.913 33 1HG2 ILE 15 HG21 ILE 15 3.031 3.636 6.991 34 2HG2 ILE 15 HG22 ILE 15 3.674 3.421 5.474 35 3HG2 ILE 15 HG23 ILE 15 4.542 2.900 6.875 36 1HD1 ILE 15 HD11 ILE 15 4.271 1.111 3.557 37 2HD1 ILE 15 HD12 ILE 15 2.678 0.486 3.518 38 3HD1 ILE 15 HD13 ILE 15 4.000 -0.589 3.528 39 H ARG 16 HN ARG 16 0.120 0.441 7.606 40 HA ARG 16 HA ARG 16 0.317 -2.405 8.370 41 1HB ARG 16 HB2 ARG 16 -1.090 -0.688 9.648 42 2HB ARG 16 HB1 ARG 16 -2.116 -0.692 8.200 43 1HG ARG 16 HG2 ARG 16 -2.287 -3.228 8.557 44 2HG ARG 16 HG1 ARG 16 -1.669 -2.932 10.172 45 1HD ARG 16 HD2 ARG 16 -4.275 -1.952 8.964 46 2HD ARG 16 HD1 ARG 16 -4.080 -3.111 10.241 47 HE ARG 16 HE ARG 16 -3.695 -0.172 10.594 48 1HH1 ARG 16 HH11 ARG 16 -4.324 -3.308 12.082 49 2HH1 ARG 16 HH12 ARG 16 -4.699 -2.637 13.591 50 1HH2 ARG 16 HH21 ARG 16 -4.179 0.700 12.654 51 2HH2 ARG 16 HH22 ARG 16 -4.604 -0.324 13.930 52 H VAL 17 HN VAL 17 -0.739 -3.895 6.946 53 HA VAL 17 HA VAL 17 -1.537 -2.798 4.342 54 HB VAL 17 HB VAL 17 0.158 -5.215 4.885 55 1HG1 VAL 17 HG11 VAL 17 -0.437 -4.027 2.038 56 2HG1 VAL 17 HG12 VAL 17 -1.180 -5.486 2.630 57 3HG1 VAL 17 HG13 VAL 17 0.540 -5.430 2.328 58 1HG2 VAL 17 HG21 VAL 17 1.687 -3.130 5.133 59 2HG2 VAL 17 HG22 VAL 17 1.222 -2.648 3.511 60 3HG2 VAL 17 HG23 VAL 17 2.152 -4.056 3.723 61 H SER 18 HN SER 18 -3.376 -3.644 3.583 62 HA SER 18 HA SER 18 -4.303 -6.277 4.368 63 1HB SER 18 HB2 SER 18 -6.563 -5.193 5.152 64 2HB SER 18 HB1 SER 18 -5.257 -4.492 6.045 65 HG SER 18 HG SER 18 -5.344 -2.713 5.056 66 H LEU 19 HN LEU 19 -6.303 -6.928 2.799 67 HA LEU 19 HA LEU 19 -5.396 -6.050 0.144 68 1HB LEU 19 HB2 LEU 19 -6.569 -8.743 0.868 69 2HB LEU 19 HB1 LEU 19 -5.985 -8.113 -0.680 70 HG LEU 19 HG LEU 19 -4.159 -8.415 1.697 71 1HD1 LEU 19 HD11 LEU 19 -4.664 -10.834 -0.344 72 2HD1 LEU 19 HD12 LEU 19 -5.243 -10.757 1.241 73 3HD1 LEU 19 HD13 LEU 19 -3.569 -10.878 1.014 74 1HD2 LEU 19 HD21 LEU 19 -2.307 -8.355 -0.248 75 2HD2 LEU 19 HD22 LEU 19 -3.351 -6.978 -0.273 76 3HD2 LEU 19 HD23 LEU 19 -3.632 -8.226 -1.384 77 H ASP 20 HN ASP 20 -6.952 -6.024 -1.528 78 HA ASP 20 HA ASP 20 -9.682 -5.252 -0.912 79 1HB ASP 20 HB2 ASP 20 -8.448 -4.542 -3.041 80 2HB ASP 20 HB1 ASP 20 -8.582 -6.209 -3.576 81 H VAL 21 HN VAL 21 -8.296 -7.937 -2.662 82 HA VAL 21 HA VAL 21 -10.485 -9.407 -3.016 83 HB VAL 21 HB VAL 21 -7.617 -10.222 -2.743 84 1HG1 VAL 21 HG11 VAL 21 -9.765 -12.202 -3.988 85 2HG1 VAL 21 HG12 VAL 21 -8.998 -12.508 -2.470 86 3HG1 VAL 21 HG13 VAL 21 -8.065 -12.496 -3.929 87 1HG2 VAL 21 HG21 VAL 21 -9.368 -9.832 -5.157 88 2HG2 VAL 21 HG22 VAL 21 -7.695 -10.375 -5.231 89 3HG2 VAL 21 HG23 VAL 21 -8.078 -8.784 -4.569 90 H ASP 22 HN ASP 22 -8.549 -9.284 -0.107 91 HA ASP 22 HA ASP 22 -10.537 -10.835 1.300 92 1HB ASP 22 HB2 ASP 22 -8.588 -12.378 0.607 93 2HB ASP 22 HB1 ASP 22 -7.601 -11.416 1.703 94 H ASN 23 HN ASN 23 -11.142 -9.308 2.741 95 HA ASN 23 HA ASN 23 -8.986 -7.739 3.959 96 1HB ASN 23 HB2 ASN 23 -10.444 -6.440 2.341 97 2HB ASN 23 HB1 ASN 23 -11.788 -6.712 3.428 98 1HD2 ASN 23 HD21 ASN 23 -8.849 -4.965 2.914 99 2HD2 ASN 23 HD22 ASN 23 -9.046 -3.865 4.230 100 H GLY 24 HN GLY 24 -8.908 -9.109 5.866 101 1HA GLY 24 HA2 GLY 24 -11.407 -9.313 7.350 102 2HA GLY 24 HA1 GLY 24 -9.965 -10.289 7.583 103 H ASN 25 HN ASN 25 -9.202 -9.891 9.465 104 HA ASN 25 HA ASN 25 -9.191 -7.129 10.405 105 1HB ASN 25 HB2 ASN 25 -9.114 -8.005 12.739 106 2HB ASN 25 HB1 ASN 25 -10.573 -8.476 11.889 107 1HD2 ASN 25 HD21 ASN 25 -9.290 -9.634 14.237 108 2HD2 ASN 25 HD22 ASN 25 -8.980 -11.288 13.869 109 H MET 26 HN MET 26 -7.352 -6.622 9.329 110 HA MET 26 HA MET 26 -5.149 -6.107 9.186 111 1HB MET 26 HB2 MET 26 -4.787 -7.731 11.699 112 2HB MET 26 HB1 MET 26 -3.519 -6.814 10.908 113 1HG MET 26 HG2 MET 26 -4.896 -4.769 11.309 114 2HG MET 26 HG1 MET 26 -5.990 -5.775 12.249 115 1HE MET 26 HE1 MET 26 -1.562 -5.048 13.447 116 2HE MET 26 HE2 MET 26 -2.306 -4.354 12.007 117 3HE MET 26 HE3 MET 26 -1.997 -6.088 12.092 118 H TYR 27 HN TYR 27 -3.213 -6.849 8.459 119 HA TYR 27 HA TYR 27 -3.010 -9.704 8.134 120 1HB TYR 27 HB2 TYR 27 -3.257 -7.772 5.962 121 2HB TYR 27 HB1 TYR 27 -1.886 -8.848 5.756 122 HD1 TYR 27 HD1 TYR 27 -5.582 -8.616 6.016 123 HD2 TYR 27 HD2 TYR 27 -2.299 -11.312 5.298 124 HE1 TYR 27 HE1 TYR 27 -7.125 -10.379 5.309 125 HE2 TYR 27 HE2 TYR 27 -3.851 -12.998 4.610 126 HH TYR 27 HH TYR 27 -7.240 -12.414 4.190 127 H LYS 28 HN LYS 28 -0.939 -6.947 7.103 128 HA LYS 28 HA LYS 28 0.925 -7.814 9.105 129 1HB LYS 28 HB2 LYS 28 2.808 -8.169 7.554 130 2HB LYS 28 HB1 LYS 28 1.533 -9.362 7.415 131 1HG LYS 28 HG2 LYS 28 0.721 -7.967 5.403 132 2HG LYS 28 HG1 LYS 28 2.258 -7.140 5.522 133 1HD LYS 28 HD2 LYS 28 2.487 -8.972 3.909 134 2HD LYS 28 HD1 LYS 28 3.501 -9.267 5.319 135 1HE LYS 28 HE2 LYS 28 1.577 -10.790 6.178 136 2HE LYS 28 HE1 LYS 28 0.891 -10.649 4.569 137 1HZ LYS 28 HZ1 LYS 28 2.156 -12.615 4.750 138 2HZ LYS 28 HZ2 LYS 28 3.502 -11.794 5.288 139 3HZ LYS 28 HZ3 LYS 28 3.003 -11.609 3.695 140 H SER 29 HN SER 29 2.830 -6.439 9.302 141 HA SER 29 HA SER 29 2.183 -3.753 8.362 142 1HB SER 29 HB2 SER 29 3.800 -4.479 10.840 143 2HB SER 29 HB1 SER 29 3.265 -2.887 10.331 144 HG SER 29 HG SER 29 1.469 -4.996 10.814 145 H ILE 30 HN ILE 30 3.804 -2.472 7.586 146 HA ILE 30 HA ILE 30 6.233 -3.895 6.751 147 HB ILE 30 HB ILE 30 4.336 -2.186 5.166 148 1HG1 ILE 30 HG12 ILE 30 4.379 -4.723 4.998 149 2HG1 ILE 30 HG11 ILE 30 4.157 -3.762 3.598 150 1HG2 ILE 30 HG21 ILE 30 6.680 -1.089 4.693 151 2HG2 ILE 30 HG22 ILE 30 6.036 -1.909 3.255 152 3HG2 ILE 30 HG23 ILE 30 7.182 -2.727 4.242 153 1HD1 ILE 30 HD11 ILE 30 6.294 -3.955 2.773 154 2HD1 ILE 30 HD12 ILE 30 5.838 -5.627 3.016 155 3HD1 ILE 30 HD13 ILE 30 7.011 -4.873 4.053 156 H LEU 31 HN LEU 31 8.199 -2.806 7.217 157 HA LEU 31 HA LEU 31 7.937 -0.109 8.125 158 1HB LEU 31 HB2 LEU 31 9.130 -1.721 9.460 159 2HB LEU 31 HB1 LEU 31 10.224 -2.142 8.174 160 HG LEU 31 HG LEU 31 10.107 0.623 9.399 161 1HD1 LEU 31 HD11 LEU 31 12.366 -0.040 10.602 162 2HD1 LEU 31 HD12 LEU 31 12.194 -1.642 10.013 163 3HD1 LEU 31 HD13 LEU 31 11.095 -1.059 11.235 164 1HD2 LEU 31 HD21 LEU 31 12.302 0.957 8.310 165 2HD2 LEU 31 HD22 LEU 31 11.010 0.461 7.180 166 3HD2 LEU 31 HD23 LEU 31 12.205 -0.703 7.691 167 H VAL 32 HN VAL 32 8.123 1.403 6.711 168 HA VAL 32 HA VAL 32 9.288 0.780 4.124 169 HB VAL 32 HB VAL 32 7.013 1.434 3.998 170 1HG1 VAL 32 HG11 VAL 32 6.185 3.813 4.828 171 2HG1 VAL 32 HG12 VAL 32 7.812 4.092 5.352 172 3HG1 VAL 32 HG13 VAL 32 6.870 2.881 6.168 173 1HG2 VAL 32 HG21 VAL 32 7.034 3.560 2.459 174 2HG2 VAL 32 HG22 VAL 32 8.265 2.466 1.943 175 3HG2 VAL 32 HG23 VAL 32 8.657 3.849 2.947 176 H THR 33 HN THR 33 11.106 1.891 3.379 177 HA THR 33 HA THR 33 12.256 3.865 5.189 178 HB THR 33 HB THR 33 14.289 3.471 3.645 179 HG1 THR 33 HG1 THR 33 13.672 2.549 1.917 180 1HG2 THR 33 HG21 THR 33 14.462 2.101 5.915 181 2HG2 THR 33 HG22 THR 33 14.970 1.114 4.597 182 3HG2 THR 33 HG23 THR 33 13.406 0.895 5.214 183 H SER 34 HN SER 34 13.440 5.729 4.057 184 HA SER 34 HA SER 34 11.359 7.141 2.735 185 1HB SER 34 HB2 SER 34 13.179 9.005 2.740 186 2HB SER 34 HB1 SER 34 12.650 8.525 4.335 187 HG SER 34 HG SER 34 15.053 8.480 3.365 188 H GLN 35 HN GLN 35 14.253 5.664 1.451 189 HA GLN 35 HA GLN 35 13.763 7.097 -1.004 190 1HB GLN 35 HB2 GLN 35 16.074 7.099 -0.321 191 2HB GLN 35 HB1 GLN 35 16.100 5.369 -0.144 192 1HG GLN 35 HG2 GLN 35 17.398 6.230 -2.049 193 2HG GLN 35 HG1 GLN 35 16.208 5.051 -2.536 194 1HE2 GLN 35 HE21 GLN 35 13.926 7.009 -2.658 195 2HE2 GLN 35 HE22 GLN 35 14.312 8.059 -3.963 196 H ASP 36 HN ASP 36 11.998 5.039 -0.016 197 HA ASP 36 HA ASP 36 12.058 3.350 -2.412 198 1HB ASP 36 HB2 ASP 36 12.288 2.341 -0.016 199 2HB ASP 36 HB1 ASP 36 10.545 2.549 0.075 200 H LYS 37 HN LYS 37 10.524 3.810 -3.775 201 HA LYS 37 HA LYS 37 8.689 5.913 -3.062 202 1HB LYS 37 HB2 LYS 37 9.553 4.676 -5.620 203 2HB LYS 37 HB1 LYS 37 8.135 5.679 -5.650 204 1HG LYS 37 HG2 LYS 37 9.542 7.544 -4.707 205 2HG LYS 37 HG1 LYS 37 10.950 6.493 -4.859 206 1HD LYS 37 HD2 LYS 37 10.535 6.335 -7.241 207 2HD LYS 37 HD1 LYS 37 9.116 7.357 -7.069 208 1HE LYS 37 HE2 LYS 37 11.935 8.150 -6.374 209 2HE LYS 37 HE1 LYS 37 11.054 8.614 -7.831 210 1HZ LYS 37 HZ1 LYS 37 10.263 9.334 -5.060 211 2HZ LYS 37 HZ2 LYS 37 9.486 9.831 -6.477 212 3HZ LYS 37 HZ3 LYS 37 11.023 10.365 -6.140 213 H ALA 38 HN ALA 38 6.470 5.893 -3.900 214 HA ALA 38 HA ALA 38 5.130 3.767 -2.635 215 1HB ALA 38 HB1 ALA 38 3.920 6.081 -2.684 216 2HB ALA 38 HB2 ALA 38 2.874 4.815 -3.250 217 3HB ALA 38 HB3 ALA 38 3.613 5.852 -4.384 218 HA PRO 39 HA PRO 39 3.873 1.972 -7.039 219 1HB PRO 39 HB2 PRO 39 6.112 2.009 -8.662 220 2HB PRO 39 HB1 PRO 39 4.724 3.089 -8.853 221 1HG PRO 39 HG2 PRO 39 7.315 3.580 -7.407 222 2HG PRO 39 HG1 PRO 39 6.459 4.640 -8.550 223 1HD PRO 39 HD2 PRO 39 6.196 5.155 -6.004 224 2HD PRO 39 HD1 PRO 39 4.770 5.056 -7.087 225 H ALA 40 HN ALA 40 7.180 2.108 -5.830 226 HA ALA 40 HA ALA 40 7.629 -0.687 -6.319 227 1HB ALA 40 HB1 ALA 40 9.395 1.128 -4.531 228 2HB ALA 40 HB2 ALA 40 9.711 0.893 -6.224 229 3HB ALA 40 HB3 ALA 40 9.871 -0.437 -5.106 230 H VAL 41 HN VAL 41 6.655 1.228 -3.605 231 HA VAL 41 HA VAL 41 6.630 -0.915 -1.690 232 HB VAL 41 HB VAL 41 4.909 1.573 -1.704 233 1HG1 VAL 41 HG11 VAL 41 3.886 -0.219 -0.184 234 2HG1 VAL 41 HG12 VAL 41 4.350 1.014 0.896 235 3HG1 VAL 41 HG13 VAL 41 5.324 -0.419 0.727 236 1HG2 VAL 41 HG21 VAL 41 7.651 1.276 -0.095 237 2HG2 VAL 41 HG22 VAL 41 6.673 2.668 0.047 238 3HG2 VAL 41 HG23 VAL 41 7.410 2.331 -1.431 239 H ILE 42 HN ILE 42 4.372 0.225 -3.983 240 HA ILE 42 HA ILE 42 2.130 -1.326 -3.245 241 HB ILE 42 HB ILE 42 2.976 -1.039 -6.115 242 1HG1 ILE 42 HG12 ILE 42 1.733 1.142 -4.457 243 2HG1 ILE 42 HG11 ILE 42 2.681 1.185 -5.858 244 1HG2 ILE 42 HG21 ILE 42 1.032 -2.757 -5.781 245 2HG2 ILE 42 HG22 ILE 42 0.401 -1.384 -6.667 246 3HG2 ILE 42 HG23 ILE 42 0.108 -1.506 -4.974 247 1HD1 ILE 42 HD11 ILE 42 0.472 2.149 -6.489 248 2HD1 ILE 42 HD12 ILE 42 -0.225 0.549 -6.277 249 3HD1 ILE 42 HD13 ILE 42 1.028 0.796 -7.451 250 H ARG 43 HN ARG 43 4.889 -2.103 -5.290 251 HA ARG 43 HA ARG 43 4.205 -4.801 -5.776 252 1HB ARG 43 HB2 ARG 43 6.125 -3.172 -6.667 253 2HB ARG 43 HB1 ARG 43 7.046 -4.196 -5.620 254 1HG ARG 43 HG2 ARG 43 6.289 -6.313 -6.579 255 2HG ARG 43 HG1 ARG 43 5.141 -5.506 -7.567 256 1HD ARG 43 HD2 ARG 43 7.023 -6.340 -8.891 257 2HD ARG 43 HD1 ARG 43 6.827 -4.631 -9.031 258 HE ARG 43 HE ARG 43 8.754 -4.489 -7.389 259 1HH1 ARG 43 HH11 ARG 43 8.347 -7.467 -9.285 260 2HH1 ARG 43 HH12 ARG 43 10.002 -7.814 -9.337 261 1HH2 ARG 43 HH21 ARG 43 10.996 -4.970 -7.449 262 2HH2 ARG 43 HH22 ARG 43 11.553 -6.361 -8.262 263 H LYS 44 HN LYS 44 6.192 -3.277 -3.337 264 HA LYS 44 HA LYS 44 7.329 -5.543 -2.106 265 1HB LYS 44 HB2 LYS 44 6.541 -2.969 -0.780 266 2HB LYS 44 HB1 LYS 44 7.703 -4.134 -0.183 267 1HG LYS 44 HG2 LYS 44 7.979 -2.691 -2.779 268 2HG LYS 44 HG1 LYS 44 8.713 -2.122 -1.260 269 1HD LYS 44 HD2 LYS 44 9.841 -4.218 -1.096 270 2HD LYS 44 HD1 LYS 44 9.203 -4.754 -2.650 271 1HE LYS 44 HE2 LYS 44 11.443 -3.663 -3.329 272 2HE LYS 44 HE1 LYS 44 10.148 -2.559 -3.654 273 1HZ LYS 44 HZ1 LYS 44 11.601 -2.423 -1.113 274 2HZ LYS 44 HZ2 LYS 44 10.589 -1.240 -1.797 275 3HZ LYS 44 HZ3 LYS 44 12.057 -1.609 -2.499 276 H ALA 45 HN ALA 45 4.408 -3.805 -1.356 277 HA ALA 45 HA ALA 45 3.904 -5.576 0.902 278 1HB ALA 45 HB1 ALA 45 1.853 -4.189 1.429 279 2HB ALA 45 HB2 ALA 45 1.897 -3.470 -0.137 280 3HB ALA 45 HB3 ALA 45 3.137 -3.069 1.033 281 H MET 46 HN MET 46 2.651 -5.344 -2.269 282 HA MET 46 HA MET 46 0.961 -7.546 -1.741 283 1HB MET 46 HB2 MET 46 0.358 -7.638 -4.051 284 2HB MET 46 HB1 MET 46 0.482 -5.976 -3.585 285 1HG MET 46 HG2 MET 46 2.587 -5.701 -4.842 286 2HG MET 46 HG1 MET 46 2.625 -7.436 -5.196 287 1HE MET 46 HE1 MET 46 -0.490 -7.905 -5.882 288 2HE MET 46 HE2 MET 46 0.849 -8.561 -6.823 289 3HE MET 46 HE3 MET 46 -0.435 -7.661 -7.627 290 H ASP 47 HN ASP 47 4.275 -7.278 -2.860 291 HA ASP 47 HA ASP 47 4.964 -9.889 -3.573 292 1HB ASP 47 HB2 ASP 47 6.570 -7.627 -3.174 293 2HB ASP 47 HB1 ASP 47 6.574 -8.395 -1.669 294 H LYS 48 HN LYS 48 4.813 -8.258 -0.562 295 HA LYS 48 HA LYS 48 5.826 -10.184 1.135 296 1HB LYS 48 HB2 LYS 48 4.931 -7.621 1.292 297 2HB LYS 48 HB1 LYS 48 3.823 -8.520 2.295 298 1HG LYS 48 HG2 LYS 48 5.735 -7.556 3.545 299 2HG LYS 48 HG1 LYS 48 5.548 -9.270 3.805 300 1HD LYS 48 HD2 LYS 48 7.897 -8.673 3.497 301 2HD LYS 48 HD1 LYS 48 7.380 -9.682 2.178 302 1HE LYS 48 HE2 LYS 48 7.253 -7.810 0.639 303 2HE LYS 48 HE1 LYS 48 7.449 -6.644 1.943 304 1HZ LYS 48 HZ1 LYS 48 9.675 -7.513 2.289 305 2HZ LYS 48 HZ2 LYS 48 9.486 -6.936 0.736 306 3HZ LYS 48 HZ3 LYS 48 9.487 -8.591 1.009 307 H HIS 49 HN HIS 49 2.721 -9.807 -0.165 308 HA HIS 49 HA HIS 49 1.532 -11.775 1.673 309 1HB HIS 49 HB2 HIS 49 0.293 -10.101 -0.508 310 2HB HIS 49 HB1 HIS 49 -0.563 -11.417 0.280 311 HD2 HIS 49 HD2 HIS 49 1.290 -8.188 1.641 312 HE1 HIS 49 HE1 HIS 49 -2.352 -8.763 3.707 313 HE2 HIS 49 HE2 HIS 49 -0.498 -7.171 3.189 314 H ASN 50 HN ASN 50 3.442 -11.952 -0.806 315 HA ASN 50 HA ASN 50 3.929 -13.222 -2.509 316 1HB ASN 50 HB2 ASN 50 3.945 -15.017 -0.766 317 2HB ASN 50 HB1 ASN 50 2.269 -15.380 -1.158 318 1HD2 ASN 50 HD21 ASN 50 5.578 -15.612 -2.223 319 2HD2 ASN 50 HD22 ASN 50 5.283 -16.684 -3.535 320 H LEU 51 HN LEU 51 2.442 -11.559 -3.384 321 HA LEU 51 HA LEU 51 0.445 -12.929 -5.089 322 1HB LEU 51 HB2 LEU 51 0.721 -9.994 -4.406 323 2HB LEU 51 HB1 LEU 51 -0.504 -10.687 -5.448 324 HG LEU 51 HG LEU 51 -0.178 -11.246 -2.531 325 1HD1 LEU 51 HD11 LEU 51 -2.231 -9.552 -4.104 326 2HD1 LEU 51 HD12 LEU 51 -1.081 -8.825 -3.018 327 3HD1 LEU 51 HD13 LEU 51 -2.403 -9.804 -2.389 328 1HD2 LEU 51 HD21 LEU 51 -2.337 -12.037 -4.486 329 2HD2 LEU 51 HD22 LEU 51 -2.442 -12.267 -2.741 330 3HD2 LEU 51 HD23 LEU 51 -1.193 -13.100 -3.663 331 H GLU 52 HN GLU 52 3.038 -13.274 -5.493 332 HA GLU 52 HA GLU 52 4.359 -11.457 -7.181 333 1HB GLU 52 HB2 GLU 52 4.683 -14.441 -7.109 334 2HB GLU 52 HB1 GLU 52 5.885 -13.248 -7.576 335 1HG GLU 52 HG2 GLU 52 5.799 -12.397 -5.209 336 2HG GLU 52 HG1 GLU 52 4.806 -13.798 -4.830 337 H GLU 53 HN GLU 53 1.862 -13.737 -7.638 338 HA GLU 53 HA GLU 53 2.220 -14.192 -10.442 339 1HB GLU 53 HB2 GLU 53 0.007 -15.245 -10.355 340 2HB GLU 53 HB1 GLU 53 1.031 -15.808 -9.046 341 1HG GLU 53 HG2 GLU 53 -0.143 -14.223 -7.518 342 2HG GLU 53 HG1 GLU 53 -1.199 -13.810 -8.862 343 H GLU 54 HN GLU 54 1.043 -11.601 -8.639 344 HA GLU 54 HA GLU 54 -0.457 -10.509 -10.905 345 1HB GLU 54 HB2 GLU 54 -0.692 -10.129 -7.948 346 2HB GLU 54 HB1 GLU 54 -1.487 -9.056 -9.051 347 1HG GLU 54 HG2 GLU 54 -2.009 -11.972 -8.524 348 2HG GLU 54 HG1 GLU 54 -3.088 -10.615 -8.279 349 H GLU 55 HN GLU 55 0.101 -8.386 -11.517 350 HA GLU 55 HA GLU 55 2.519 -7.363 -10.268 351 1HB GLU 55 HB2 GLU 55 1.456 -7.336 -12.989 352 2HB GLU 55 HB1 GLU 55 2.224 -5.875 -12.461 353 1HG GLU 55 HG2 GLU 55 3.904 -7.246 -13.578 354 2HG GLU 55 HG1 GLU 55 4.263 -7.047 -11.865 355 HA PRO 56 HA PRO 56 0.413 -3.681 -8.729 356 1HB PRO 56 HB2 PRO 56 3.010 -2.388 -9.410 357 2HB PRO 56 HB1 PRO 56 2.142 -2.414 -7.866 358 1HG PRO 56 HG2 PRO 56 4.298 -3.820 -8.218 359 2HG PRO 56 HG1 PRO 56 2.916 -4.525 -7.362 360 1HD PRO 56 HD2 PRO 56 3.815 -5.002 -10.188 361 2HD PRO 56 HD1 PRO 56 3.245 -6.151 -8.952 362 H GLU 57 HN GLU 57 1.811 -4.028 -11.779 363 HA GLU 57 HA GLU 57 1.461 -1.588 -13.052 364 1HB GLU 57 HB2 GLU 57 0.889 -4.310 -14.248 365 2HB GLU 57 HB1 GLU 57 1.333 -2.852 -15.117 366 1HG GLU 57 HG2 GLU 57 3.118 -4.340 -13.189 367 2HG GLU 57 HG1 GLU 57 3.195 -4.439 -14.947 368 H ASP 58 HN ASP 58 -0.832 -4.199 -12.434 369 HA ASP 58 HA ASP 58 -3.037 -2.533 -13.451 370 1HB ASP 58 HB2 ASP 58 -3.103 -5.471 -12.719 371 2HB ASP 58 HB1 ASP 58 -4.435 -4.540 -13.342 372 H TYR 59 HN TYR 59 -1.651 -2.863 -10.477 373 HA TYR 59 HA TYR 59 -4.239 -2.669 -9.139 374 1HB TYR 59 HB2 TYR 59 -1.738 -3.975 -8.091 375 2HB TYR 59 HB1 TYR 59 -3.148 -3.582 -7.123 376 HD1 TYR 59 HD1 TYR 59 -4.796 -5.211 -6.804 377 HD2 TYR 59 HD2 TYR 59 -2.291 -5.535 -10.189 378 HE1 TYR 59 HE1 TYR 59 -5.824 -7.395 -7.365 379 HE2 TYR 59 HE2 TYR 59 -3.381 -7.686 -10.798 380 HH TYR 59 HH TYR 59 -4.589 -9.412 -9.833 381 H GLU 60 HN GLU 60 -4.001 -1.630 -6.975 382 HA GLU 60 HA GLU 60 -2.222 0.761 -7.062 383 1HB GLU 60 HB2 GLU 60 -5.151 0.659 -6.452 384 2HB GLU 60 HB1 GLU 60 -4.137 2.075 -6.278 385 1HG GLU 60 HG2 GLU 60 -4.434 0.686 -8.888 386 2HG GLU 60 HG1 GLU 60 -5.630 1.869 -8.332 387 H LEU 61 HN LEU 61 -2.048 1.758 -4.935 388 HA LEU 61 HA LEU 61 -3.105 0.168 -2.794 389 1HB LEU 61 HB2 LEU 61 -1.148 -0.354 -2.112 390 2HB LEU 61 HB1 LEU 61 -0.518 0.475 -3.461 391 HG LEU 61 HG LEU 61 -0.842 1.942 -0.845 392 1HD1 LEU 61 HD11 LEU 61 1.816 1.231 -0.322 393 2HD1 LEU 61 HD12 LEU 61 1.680 0.147 -1.648 394 3HD1 LEU 61 HD13 LEU 61 0.746 -0.117 -0.274 395 1HD2 LEU 61 HD21 LEU 61 1.240 2.643 -3.137 396 2HD2 LEU 61 HD22 LEU 61 0.811 3.599 -1.742 397 3HD2 LEU 61 HD23 LEU 61 -0.344 3.300 -2.915 398 H LEU 62 HN LEU 62 -4.143 0.992 -1.168 399 HA LEU 62 HA LEU 62 -5.027 3.819 -1.517 400 1HB LEU 62 HB2 LEU 62 -6.335 1.606 -2.129 401 2HB LEU 62 HB1 LEU 62 -6.653 1.547 -0.431 402 HG LEU 62 HG LEU 62 -7.589 3.609 -2.394 403 1HD1 LEU 62 HD11 LEU 62 -9.070 1.473 -0.876 404 2HD1 LEU 62 HD12 LEU 62 -8.865 1.606 -2.623 405 3HD1 LEU 62 HD13 LEU 62 -9.857 2.762 -1.757 406 1HD2 LEU 62 HD21 LEU 62 -7.462 4.912 -0.091 407 2HD2 LEU 62 HD22 LEU 62 -8.177 3.513 0.621 408 3HD2 LEU 62 HD23 LEU 62 -9.131 4.474 -0.423 409 H GLN 63 HN GLN 63 -4.844 5.013 0.623 410 HA GLN 63 HA GLN 63 -4.368 3.471 2.985 411 1HB GLN 63 HB2 GLN 63 -4.440 6.307 2.313 412 2HB GLN 63 HB1 GLN 63 -4.729 5.855 4.015 413 1HG GLN 63 HG2 GLN 63 -2.600 4.462 3.733 414 2HG GLN 63 HG1 GLN 63 -2.337 5.423 2.312 415 1HE2 GLN 63 HE21 GLN 63 -3.272 8.059 3.582 416 2HE2 GLN 63 HE22 GLN 63 -1.922 8.435 4.536 417 H ILE 64 HN ILE 64 -5.699 3.100 4.473 418 HA ILE 64 HA ILE 64 -8.394 4.154 4.250 419 HB ILE 64 HB ILE 64 -7.545 1.356 4.586 420 1HG1 ILE 64 HG12 ILE 64 -10.007 1.588 3.126 421 2HG1 ILE 64 HG11 ILE 64 -9.169 3.046 2.950 422 1HG2 ILE 64 HG21 ILE 64 -10.325 2.392 5.657 423 2HG2 ILE 64 HG22 ILE 64 -9.057 1.920 6.730 424 3HG2 ILE 64 HG23 ILE 64 -9.828 0.715 5.752 425 1HD1 ILE 64 HD11 ILE 64 -7.317 2.111 1.935 426 2HD1 ILE 64 HD12 ILE 64 -8.767 1.420 1.204 427 3HD1 ILE 64 HD13 ILE 64 -7.851 0.487 2.382 428 H LEU 65 HN LEU 65 -9.130 5.138 5.938 429 HA LEU 65 HA LEU 65 -7.488 5.075 8.328 430 1HB LEU 65 HB2 LEU 65 -9.289 7.180 7.119 431 2HB LEU 65 HB1 LEU 65 -8.833 7.165 8.754 432 HG LEU 65 HG LEU 65 -6.473 7.394 8.249 433 1HD1 LEU 65 HD11 LEU 65 -7.123 7.736 5.153 434 2HD1 LEU 65 HD12 LEU 65 -6.214 6.447 5.848 435 3HD1 LEU 65 HD13 LEU 65 -5.554 7.992 5.836 436 1HD2 LEU 65 HD21 LEU 65 -7.798 9.519 8.775 437 2HD2 LEU 65 HD22 LEU 65 -8.222 9.757 7.150 438 3HD2 LEU 65 HD23 LEU 65 -6.588 10.017 7.647 439 H SER 66 HN SER 66 -10.691 5.977 7.473 440 HA SER 66 HA SER 66 -11.801 3.756 8.987 441 1HB SER 66 HB2 SER 66 -12.819 6.643 9.263 442 2HB SER 66 HB1 SER 66 -13.332 5.272 10.225 443 HG SER 66 HG SER 66 -10.778 5.309 10.440 444 H ASP 67 HN ASP 67 -14.433 3.858 8.296 445 HA ASP 67 HA ASP 67 -14.502 3.426 5.523 446 1HB ASP 67 HB2 ASP 67 -16.892 2.999 5.907 447 2HB ASP 67 HB1 ASP 67 -15.889 2.195 7.109 448 H ASP 68 HN ASP 68 -13.777 6.227 6.069 449 HA ASP 68 HA ASP 68 -15.916 7.478 4.560 450 1HB ASP 68 HB2 ASP 68 -16.375 8.043 6.948 451 2HB ASP 68 HB1 ASP 68 -14.781 8.785 7.051 452 H ARG 69 HN ARG 69 -13.050 8.668 6.241 453 HA ARG 69 HA ARG 69 -12.096 9.875 3.792 454 1HB ARG 69 HB2 ARG 69 -10.890 9.822 6.585 455 2HB ARG 69 HB1 ARG 69 -10.195 10.623 5.191 456 1HG ARG 69 HG2 ARG 69 -12.938 11.293 6.145 457 2HG ARG 69 HG1 ARG 69 -11.488 12.060 6.806 458 1HD ARG 69 HD2 ARG 69 -12.207 11.951 3.898 459 2HD ARG 69 HD1 ARG 69 -12.506 13.347 4.946 460 HE ARG 69 HE ARG 69 -9.822 12.713 5.177 461 1HH1 ARG 69 HH11 ARG 69 -11.971 13.851 2.615 462 2HH1 ARG 69 HH12 ARG 69 -10.745 14.626 1.732 463 1HH2 ARG 69 HH21 ARG 69 -8.158 13.756 4.016 464 2HH2 ARG 69 HH22 ARG 69 -8.490 14.578 2.543 465 H LYS 70 HN LYS 70 -11.241 8.516 2.351 466 HA LYS 70 HA LYS 70 -9.136 6.863 3.387 467 1HB LYS 70 HB2 LYS 70 -10.878 5.920 1.085 468 2HB LYS 70 HB1 LYS 70 -9.704 4.982 1.993 469 1HG LYS 70 HG2 LYS 70 -11.282 5.530 4.031 470 2HG LYS 70 HG1 LYS 70 -12.459 5.812 2.763 471 1HD LYS 70 HD2 LYS 70 -11.008 3.310 3.450 472 2HD LYS 70 HD1 LYS 70 -12.718 3.624 3.541 473 1HE LYS 70 HE2 LYS 70 -11.255 3.643 0.881 474 2HE LYS 70 HE1 LYS 70 -12.065 2.202 1.468 475 1HZ LYS 70 HZ1 LYS 70 -13.408 4.824 0.937 476 2HZ LYS 70 HZ2 LYS 70 -14.142 3.377 1.435 477 3HZ LYS 70 HZ3 LYS 70 -13.427 3.460 -0.064 478 H LEU 71 HN LEU 71 -7.350 6.632 1.784 479 HA LEU 71 HA LEU 71 -7.367 8.837 -0.219 480 1HB LEU 71 HB2 LEU 71 -5.221 8.091 1.677 481 2HB LEU 71 HB1 LEU 71 -5.070 9.370 0.514 482 HG LEU 71 HG LEU 71 -6.910 9.325 2.939 483 1HD1 LEU 71 HD11 LEU 71 -4.617 9.760 3.506 484 2HD1 LEU 71 HD12 LEU 71 -5.584 11.219 3.724 485 3HD1 LEU 71 HD13 LEU 71 -4.535 11.057 2.312 486 1HD2 LEU 71 HD21 LEU 71 -8.041 10.505 1.082 487 2HD2 LEU 71 HD22 LEU 71 -6.663 11.604 0.921 488 3HD2 LEU 71 HD23 LEU 71 -7.612 11.582 2.393 489 H LYS 72 HN LYS 72 -6.905 7.960 -2.151 490 HA LYS 72 HA LYS 72 -5.513 5.451 -2.358 491 1HB LYS 72 HB2 LYS 72 -6.647 7.318 -4.421 492 2HB LYS 72 HB1 LYS 72 -5.826 5.816 -4.811 493 1HG LYS 72 HG2 LYS 72 -7.480 4.586 -4.292 494 2HG LYS 72 HG1 LYS 72 -7.766 5.407 -2.768 495 1HD LYS 72 HD2 LYS 72 -8.728 6.191 -5.595 496 2HD LYS 72 HD1 LYS 72 -9.749 5.547 -4.319 497 1HE LYS 72 HE2 LYS 72 -9.640 7.626 -3.065 498 2HE LYS 72 HE1 LYS 72 -8.335 8.233 -4.092 499 1HZ LYS 72 HZ1 LYS 72 -9.921 8.302 -5.885 500 2HZ LYS 72 HZ2 LYS 72 -10.422 9.218 -4.564 501 3HZ LYS 72 HZ3 LYS 72 -11.134 7.708 -4.868 502 H ILE 73 HN ILE 73 -3.393 5.186 -2.853 503 HA ILE 73 HA ILE 73 -1.795 7.625 -3.017 504 HB ILE 73 HB ILE 73 -1.094 4.789 -2.322 505 1HG1 ILE 73 HG12 ILE 73 -2.528 5.399 -0.647 506 2HG1 ILE 73 HG11 ILE 73 -0.947 5.374 0.026 507 1HG2 ILE 73 HG21 ILE 73 1.034 6.021 -3.007 508 2HG2 ILE 73 HG22 ILE 73 1.141 5.806 -1.290 509 3HG2 ILE 73 HG23 ILE 73 0.715 7.345 -1.938 510 1HD1 ILE 73 HD11 ILE 73 -0.986 8.093 0.148 511 2HD1 ILE 73 HD12 ILE 73 -2.229 7.414 1.084 512 3HD1 ILE 73 HD13 ILE 73 -2.628 8.048 -0.436 513 HA PRO 74 HA PRO 74 -0.944 6.185 -7.165 514 1HB PRO 74 HB2 PRO 74 -0.442 8.518 -8.249 515 2HB PRO 74 HB1 PRO 74 -2.050 8.148 -7.647 516 1HG PRO 74 HG2 PRO 74 0.074 9.830 -6.384 517 2HG PRO 74 HG1 PRO 74 -1.670 10.115 -6.462 518 1HD PRO 74 HD2 PRO 74 -0.325 8.936 -4.269 519 2HD PRO 74 HD1 PRO 74 -2.068 8.897 -4.590 520 H GLU 75 HN GLU 75 1.061 7.488 -8.710 521 HA GLU 75 HA GLU 75 3.322 6.241 -7.413 522 1HB GLU 75 HB2 GLU 75 3.078 7.132 -10.234 523 2HB GLU 75 HB1 GLU 75 4.366 6.156 -9.564 524 1HG GLU 75 HG2 GLU 75 2.708 4.401 -9.055 525 2HG GLU 75 HG1 GLU 75 1.485 5.414 -9.810 526 H ASN 76 HN ASN 76 2.379 9.420 -8.542 527 HA ASN 76 HA ASN 76 5.047 10.499 -8.511 528 1HB ASN 76 HB2 ASN 76 3.238 11.428 -9.933 529 2HB ASN 76 HB1 ASN 76 2.369 11.902 -8.480 530 1HD2 ASN 76 HD21 ASN 76 5.858 12.208 -9.183 531 2HD2 ASN 76 HD22 ASN 76 5.881 13.920 -9.064 532 H ALA 77 HN ALA 77 2.760 9.790 -6.167 533 HA ALA 77 HA ALA 77 3.751 11.913 -4.418 534 1HB ALA 77 HB1 ALA 77 1.790 11.461 -2.849 535 2HB ALA 77 HB2 ALA 77 1.417 10.022 -3.694 536 3HB ALA 77 HB3 ALA 77 1.123 11.557 -4.468 537 H ASN 78 HN ASN 78 4.982 11.575 -2.758 538 HA ASN 78 HA ASN 78 6.321 9.027 -2.472 539 1HB ASN 78 HB2 ASN 78 6.586 11.528 -0.762 540 2HB ASN 78 HB1 ASN 78 7.667 10.179 -0.726 541 1HD2 ASN 78 HD21 ASN 78 7.590 9.904 -3.732 542 2HD2 ASN 78 HD22 ASN 78 8.540 11.245 -4.276 543 H VAL 79 HN VAL 79 6.213 7.634 -0.693 544 HA VAL 79 HA VAL 79 3.682 7.456 0.564 545 HB VAL 79 HB VAL 79 6.331 6.194 1.301 546 1HG1 VAL 79 HG11 VAL 79 3.526 5.387 2.411 547 2HG1 VAL 79 HG12 VAL 79 4.734 6.157 3.393 548 3HG1 VAL 79 HG13 VAL 79 4.970 4.514 2.827 549 1HG2 VAL 79 HG21 VAL 79 5.421 5.169 -0.903 550 2HG2 VAL 79 HG22 VAL 79 3.912 4.823 -0.097 551 3HG2 VAL 79 HG23 VAL 79 5.311 3.989 0.385 552 H PHE 80 HN PHE 80 6.727 8.654 1.647 553 HA PHE 80 HA PHE 80 6.032 9.194 4.322 554 1HB PHE 80 HB2 PHE 80 8.169 10.060 2.524 555 2HB PHE 80 HB1 PHE 80 7.944 11.051 3.871 556 HD1 PHE 80 HD1 PHE 80 8.055 10.083 6.338 557 HD2 PHE 80 HD2 PHE 80 9.220 7.591 2.936 558 HE1 PHE 80 HE1 PHE 80 9.127 8.538 7.780 559 HE2 PHE 80 HE2 PHE 80 10.257 6.096 4.452 560 HZ PHE 80 HZ PHE 80 10.247 6.513 6.885 561 H TYR 81 HN TYR 81 5.278 10.839 1.504 562 HA TYR 81 HA TYR 81 4.645 13.293 2.945 563 1HB TYR 81 HB2 TYR 81 5.045 12.486 0.194 564 2HB TYR 81 HB1 TYR 81 4.254 14.008 0.451 565 HD1 TYR 81 HD1 TYR 81 5.696 16.091 1.281 566 HD2 TYR 81 HD2 TYR 81 7.697 12.173 0.964 567 HE1 TYR 81 HE1 TYR 81 7.838 17.057 1.553 568 HE2 TYR 81 HE2 TYR 81 9.739 13.273 1.232 569 HH TYR 81 HH TYR 81 10.060 16.478 2.252 570 H ALA 82 HN ALA 82 3.130 10.719 1.059 571 HA ALA 82 HA ALA 82 0.576 12.108 1.147 572 1HB ALA 82 HB1 ALA 82 1.253 10.895 -1.013 573 2HB ALA 82 HB2 ALA 82 -0.238 10.200 -0.380 574 3HB ALA 82 HB3 ALA 82 1.279 9.413 -0.104 575 H MET 83 HN MET 83 2.169 9.717 3.015 576 HA MET 83 HA MET 83 -0.286 8.505 3.837 577 1HB MET 83 HB2 MET 83 0.946 7.034 5.289 578 2HB MET 83 HB1 MET 83 1.718 7.169 3.741 579 1HG MET 83 HG2 MET 83 3.586 7.282 5.100 580 2HG MET 83 HG1 MET 83 3.149 8.988 5.146 581 1HE MET 83 HE1 MET 83 3.083 5.602 7.040 582 2HE MET 83 HE2 MET 83 1.349 5.929 6.929 583 3HE MET 83 HE3 MET 83 2.165 5.994 8.491 584 H ASN 84 HN ASN 84 -1.094 8.401 6.001 585 HA ASN 84 HA ASN 84 -1.338 11.128 6.807 586 1HB ASN 84 HB2 ASN 84 -3.136 10.373 8.276 587 2HB ASN 84 HB1 ASN 84 -3.460 10.139 6.555 588 1HD2 ASN 84 HD21 ASN 84 -1.977 7.340 6.638 589 2HD2 ASN 84 HD22 ASN 84 -3.088 6.470 7.592 590 H SER 85 HN SER 85 0.139 8.502 8.050 591 HA SER 85 HA SER 85 1.907 8.337 9.641 592 1HB SER 85 HB2 SER 85 1.562 11.307 10.034 593 2HB SER 85 HB1 SER 85 2.959 10.271 10.369 594 HG SER 85 HG SER 85 2.776 9.762 8.019 595 H THR 86 HN THR 86 -0.217 10.751 11.183 596 HA THR 86 HA THR 86 0.514 10.229 13.761 597 HB THR 86 HB THR 86 -2.216 11.153 12.869 598 HG1 THR 86 HG1 THR 86 -0.301 13.045 13.398 599 1HG2 THR 86 HG21 THR 86 -2.069 12.549 15.050 600 2HG2 THR 86 HG22 THR 86 -0.472 11.917 15.276 601 3HG2 THR 86 HG23 THR 86 -1.817 10.845 15.460 602 H ALA 87 HN ALA 87 -2.066 8.632 11.942 603 HA ALA 87 HA ALA 87 -2.258 6.393 13.655 604 1HB ALA 87 HB1 ALA 87 -4.523 8.445 13.802 605 2HB ALA 87 HB2 ALA 87 -3.424 8.079 15.112 606 3HB ALA 87 HB3 ALA 87 -4.565 6.874 14.598 607 H ASN 88 HN ASN 88 -4.011 4.909 12.638 608 HA ASN 88 HA ASN 88 -5.459 4.225 11.065 609 1HB ASN 88 HB2 ASN 88 -5.643 7.177 10.436 610 2HB ASN 88 HB1 ASN 88 -6.630 5.971 9.640 611 1HD2 ASN 88 HD21 ASN 88 -7.419 8.218 11.302 612 2HD2 ASN 88 HD22 ASN 88 -8.308 7.565 12.615 613 H TYR 89 HN TYR 89 -2.846 4.073 10.639 614 HA TYR 89 HA TYR 89 -2.274 4.822 7.894 615 1HB TYR 89 HB2 TYR 89 0.061 3.919 8.338 616 2HB TYR 89 HB1 TYR 89 -0.514 5.290 9.264 617 HD1 TYR 89 HD1 TYR 89 -1.244 1.570 9.933 618 HD2 TYR 89 HD2 TYR 89 1.166 4.920 11.502 619 HE1 TYR 89 HE1 TYR 89 -0.551 0.313 11.820 620 HE2 TYR 89 HE2 TYR 89 1.740 3.563 13.303 621 HH TYR 89 HH TYR 89 0.960 1.690 14.522 622 H ASP 90 HN ASP 90 -4.260 3.152 7.350 623 HA ASP 90 HA ASP 90 -3.012 0.467 7.027 624 1HB ASP 90 HB2 ASP 90 -5.353 0.713 8.222 625 2HB ASP 90 HB1 ASP 90 -5.971 1.019 6.613 626 H PHE 91 HN PHE 91 -3.150 -0.582 5.012 627 HA PHE 91 HA PHE 91 -3.748 1.191 2.796 628 1HB PHE 91 HB2 PHE 91 -1.179 -0.452 2.887 629 2HB PHE 91 HB1 PHE 91 -1.778 0.424 1.510 630 HD1 PHE 91 HD1 PHE 91 -0.910 2.553 1.066 631 HD2 PHE 91 HD2 PHE 91 -0.841 1.056 5.009 632 HE1 PHE 91 HE1 PHE 91 0.507 4.449 1.778 633 HE2 PHE 91 HE2 PHE 91 0.434 2.886 5.734 634 HZ PHE 91 HZ PHE 91 1.169 4.646 4.138 635 H VAL 92 HN VAL 92 -4.631 0.138 1.147 636 HA VAL 92 HA VAL 92 -5.041 -2.756 1.339 637 HB VAL 92 HB VAL 92 -6.863 -0.426 0.809 638 1HG1 VAL 92 HG11 VAL 92 -8.750 -2.067 0.105 639 2HG1 VAL 92 HG12 VAL 92 -7.678 -3.384 0.268 640 3HG1 VAL 92 HG13 VAL 92 -7.455 -2.233 -1.065 641 1HG2 VAL 92 HG21 VAL 92 -7.090 -2.819 2.598 642 2HG2 VAL 92 HG22 VAL 92 -8.333 -1.584 2.437 643 3HG2 VAL 92 HG23 VAL 92 -6.733 -1.158 3.055 644 H LEU 93 HN LEU 93 -4.733 -3.788 -0.651 645 HA LEU 93 HA LEU 93 -3.980 -1.960 -2.823 646 1HB LEU 93 HB2 LEU 93 -2.359 -3.463 -3.328 647 2HB LEU 93 HB1 LEU 93 -2.911 -4.478 -2.025 648 HG LEU 93 HG LEU 93 -3.937 -4.626 -4.886 649 1HD1 LEU 93 HD11 LEU 93 -2.171 -6.575 -5.363 650 2HD1 LEU 93 HD12 LEU 93 -1.547 -6.466 -3.798 651 3HD1 LEU 93 HD13 LEU 93 -1.349 -5.153 -4.858 652 1HD2 LEU 93 HD21 LEU 93 -4.228 -6.675 -2.507 653 2HD2 LEU 93 HD22 LEU 93 -4.842 -7.091 -4.073 654 3HD2 LEU 93 HD23 LEU 93 -5.506 -5.772 -3.199 655 H LYS 94 HN LYS 94 -4.917 -1.889 -4.815 656 HA LYS 94 HA LYS 94 -7.808 -2.715 -4.864 657 1HB LYS 94 HB2 LYS 94 -6.687 -0.404 -6.445 658 2HB LYS 94 HB1 LYS 94 -8.310 -0.785 -6.028 659 1HG LYS 94 HG2 LYS 94 -8.105 0.093 -3.824 660 2HG LYS 94 HG1 LYS 94 -6.348 0.083 -3.950 661 1HD LYS 94 HD2 LYS 94 -7.297 2.343 -4.126 662 2HD LYS 94 HD1 LYS 94 -6.416 1.900 -5.569 663 1HE LYS 94 HE2 LYS 94 -9.434 1.687 -5.388 664 2HE LYS 94 HE1 LYS 94 -8.624 3.171 -5.870 665 1HZ LYS 94 HZ1 LYS 94 -9.395 1.959 -7.720 666 2HZ LYS 94 HZ2 LYS 94 -8.671 0.545 -7.278 667 3HZ LYS 94 HZ3 LYS 94 -7.726 1.890 -7.784 668 H LYS 95 HN LYS 95 -8.598 -3.490 -6.839 669 HA LYS 95 HA LYS 95 -6.650 -4.076 -8.935 670 1HB LYS 95 HB2 LYS 95 -8.207 -5.927 -8.366 671 2HB LYS 95 HB1 LYS 95 -9.547 -4.845 -8.607 672 1HG LYS 95 HG2 LYS 95 -9.242 -4.724 -10.926 673 2HG LYS 95 HG1 LYS 95 -7.670 -5.503 -10.863 674 1HD LYS 95 HD2 LYS 95 -10.193 -6.857 -9.950 675 2HD LYS 95 HD1 LYS 95 -9.694 -6.893 -11.641 676 1HE LYS 95 HE2 LYS 95 -7.997 -7.911 -9.329 677 2HE LYS 95 HE1 LYS 95 -8.889 -8.938 -10.434 678 1HZ LYS 95 HZ1 LYS 95 -7.570 -8.329 -12.216 679 2HZ LYS 95 HZ2 LYS 95 -6.460 -8.566 -10.965 680 3HZ LYS 95 HZ3 LYS 95 -6.880 -7.021 -11.467 681 H ARG 96 HN ARG 96 -6.464 -2.807 -10.706 682 HA ARG 96 HA ARG 96 -8.633 -0.937 -11.276 683 1HB ARG 96 HB2 ARG 96 -5.931 -1.171 -12.634 684 2HB ARG 96 HB1 ARG 96 -7.063 0.157 -12.766 685 1HG ARG 96 HG2 ARG 96 -6.862 0.410 -10.372 686 2HG ARG 96 HG1 ARG 96 -5.399 -0.582 -10.464 687 1HD ARG 96 HD2 ARG 96 -5.943 2.017 -11.905 688 2HD ARG 96 HD1 ARG 96 -4.724 1.729 -10.674 689 HE ARG 96 HE ARG 96 -4.549 0.171 -13.140 690 1HH1 ARG 96 HH11 ARG 96 -3.002 2.661 -11.148 691 2HH1 ARG 96 HH12 ARG 96 -1.883 3.120 -12.334 692 1HH2 ARG 96 HH21 ARG 96 -2.952 0.752 -14.735 693 2HH2 ARG 96 HH22 ARG 96 -1.863 2.025 -14.444 694 H THR 97 HN THR 97 -6.846 -3.737 -12.542 695 HA THR 97 HA THR 97 -8.850 -4.347 -14.237 696 HB THR 97 HB THR 97 -6.890 -4.695 -16.048 697 HG1 THR 97 HG1 THR 97 -5.088 -3.827 -15.384 698 1HG2 THR 97 HG21 THR 97 -7.256 -2.347 -17.139 699 2HG2 THR 97 HG22 THR 97 -8.085 -1.817 -15.747 700 3HG2 THR 97 HG23 THR 97 -8.819 -3.027 -16.779
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