NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
521755 | 2le0 | 17687 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 12.865 14.950 -2.356 2 H2 MET 1 2H MET 1 12.796 13.999 -0.950 3 H3 MET 1 3H MET 1 11.910 15.447 -1.044 4 HA MET 1 HA MET 1 10.292 13.861 -1.421 5 HB2 MET 1 1HB MET 1 11.448 14.725 -4.087 6 HB3 MET 1 2HB MET 1 9.859 13.980 -3.898 7 HG2 MET 1 1HG MET 1 9.183 15.806 -2.377 8 HG3 MET 1 2HG MET 1 10.772 16.547 -2.570 9 HE1 MET 1 3HE MET 1 9.577 19.168 -4.446 10 HE2 MET 1 1HE MET 1 9.477 18.458 -2.831 11 HE3 MET 1 2HE MET 1 8.034 18.580 -3.833 12 H LYS 2 H LYS 2 11.591 11.999 -0.517 13 HA LYS 2 HA LYS 2 11.886 9.926 -2.596 14 HB2 LYS 2 1HB LYS 2 13.920 10.615 -0.461 15 HB3 LYS 2 2HB LYS 2 13.936 9.109 -1.370 16 HG2 LYS 2 1HG LYS 2 13.884 10.663 -3.480 17 HG3 LYS 2 2HG LYS 2 14.407 11.919 -2.359 18 HD2 LYS 2 1HD LYS 2 16.349 10.558 -1.709 19 HD3 LYS 2 2HD LYS 2 15.814 9.266 -2.786 20 HE2 LYS 2 1HE LYS 2 16.595 12.072 -3.634 21 HE3 LYS 2 2HE LYS 2 17.547 10.608 -3.884 22 HZ1 LYS 2 3HZ LYS 2 14.976 11.367 -5.120 23 HZ2 LYS 2 1HZ LYS 2 15.474 9.747 -5.066 24 HZ3 LYS 2 2HZ LYS 2 16.423 10.900 -5.877 25 HA PRO 3 HA PRO 3 9.818 8.708 1.538 26 HB2 PRO 3 1HB PRO 3 7.194 8.656 0.740 27 HB3 PRO 3 2HB PRO 3 7.968 10.088 1.442 28 HG2 PRO 3 1HG PRO 3 7.462 9.447 -1.428 29 HG3 PRO 3 2HG PRO 3 7.245 10.977 -0.569 30 HD2 PRO 3 1HD PRO 3 9.417 10.487 -2.134 31 HD3 PRO 3 2HD PRO 3 9.499 11.506 -0.674 32 H LEU 4 H LEU 4 8.546 7.799 -1.698 33 HA LEU 4 HA LEU 4 8.452 4.980 -0.877 34 HB2 LEU 4 1HB LEU 4 7.336 6.535 -3.201 35 HB3 LEU 4 2HB LEU 4 7.421 4.775 -3.260 36 HG LEU 4 HG LEU 4 5.220 5.716 -2.425 37 HD11 LEU 4 1HD1 LEU 4 6.482 4.092 -0.224 38 HD12 LEU 4 2HD1 LEU 4 6.244 3.394 -1.826 39 HD13 LEU 4 3HD1 LEU 4 4.866 3.994 -0.907 40 HD21 LEU 4 3HD2 LEU 4 5.081 6.652 -0.228 41 HD22 LEU 4 1HD2 LEU 4 6.323 7.543 -1.091 42 HD23 LEU 4 2HD2 LEU 4 6.784 6.326 0.091 43 H SER 5 H SER 5 10.703 6.996 -2.268 44 HA SER 5 HA SER 5 11.661 5.424 -4.412 45 HB2 SER 5 1HB SER 5 12.217 7.802 -4.087 46 HB3 SER 5 2HB SER 5 13.194 7.365 -2.695 47 HG SER 5 HG SER 5 13.545 6.478 -5.371 48 H ASN 6 H ASN 6 11.961 4.956 -1.027 49 HA ASN 6 HA ASN 6 14.360 3.262 -1.347 50 HB2 ASN 6 1HB ASN 6 12.915 4.261 1.113 51 HB3 ASN 6 2HB ASN 6 14.331 3.212 1.141 52 HD21 ASN 6 2HD2 ASN 6 15.286 4.797 -1.398 53 HD22 ASN 6 1HD2 ASN 6 15.966 6.199 -0.727 54 H MET 7 H MET 7 11.201 2.775 -1.828 55 HA MET 7 HA MET 7 11.382 -0.031 -0.973 56 HB2 MET 7 1HB MET 7 9.135 0.130 0.088 57 HB3 MET 7 2HB MET 7 10.375 1.022 0.954 58 HG2 MET 7 1HG MET 7 9.643 3.079 -0.328 59 HG3 MET 7 2HG MET 7 8.281 2.135 -0.926 60 HE1 MET 7 3HE MET 7 6.220 1.657 0.238 61 HE2 MET 7 1HE MET 7 6.015 1.538 1.987 62 HE3 MET 7 2HE MET 7 7.101 0.439 1.151 63 H LYS 8 H LYS 8 9.910 -1.432 -1.998 64 HA LYS 8 HA LYS 8 8.939 -0.465 -4.589 65 HB2 LYS 8 1HB LYS 8 9.577 -3.143 -3.403 66 HB3 LYS 8 2HB LYS 8 8.348 -3.096 -4.664 67 HG2 LYS 8 1HG LYS 8 10.446 -3.479 -5.757 68 HG3 LYS 8 2HG LYS 8 10.009 -1.806 -6.089 69 HD2 LYS 8 1HD LYS 8 11.473 -1.047 -4.268 70 HD3 LYS 8 2HD LYS 8 11.892 -2.720 -3.896 71 HE2 LYS 8 1HE LYS 8 12.857 -3.001 -6.131 72 HE3 LYS 8 2HE LYS 8 12.398 -1.354 -6.555 73 HZ1 LYS 8 3HZ LYS 8 14.420 -0.830 -5.810 74 HZ2 LYS 8 1HZ LYS 8 14.618 -2.299 -4.989 75 HZ3 LYS 8 2HZ LYS 8 13.768 -1.023 -4.252 76 H ILE 9 H ILE 9 6.770 -0.945 -5.318 77 HA ILE 9 HA ILE 9 4.791 -1.239 -3.131 78 HB ILE 9 HB ILE 9 4.918 0.846 -5.281 79 HG12 ILE 9 1HG1 ILE 9 6.173 1.284 -3.206 80 HG13 ILE 9 2HG1 ILE 9 4.829 2.404 -3.397 81 HG21 ILE 9 1HG2 ILE 9 2.634 0.239 -5.331 82 HG22 ILE 9 2HG2 ILE 9 2.693 1.614 -4.229 83 HG23 ILE 9 3HG2 ILE 9 2.584 -0.024 -3.589 84 HD11 ILE 9 3HD1 ILE 9 4.401 1.804 -1.222 85 HD12 ILE 9 1HD1 ILE 9 5.252 0.274 -1.368 86 HD13 ILE 9 2HD1 ILE 9 3.604 0.433 -1.955 87 H LEU 10 H LEU 10 2.832 -2.040 -3.602 88 HA LEU 10 HA LEU 10 2.314 -3.163 -6.280 89 HB2 LEU 10 1HB LEU 10 3.397 -4.840 -4.693 90 HB3 LEU 10 2HB LEU 10 1.939 -4.741 -3.734 91 HG LEU 10 HG LEU 10 1.556 -5.266 -6.661 92 HD11 LEU 10 1HD1 LEU 10 1.923 -7.743 -6.179 93 HD12 LEU 10 2HD1 LEU 10 2.804 -7.238 -4.737 94 HD13 LEU 10 3HD1 LEU 10 3.380 -6.760 -6.331 95 HD21 LEU 10 3HD2 LEU 10 0.364 -6.532 -4.171 96 HD22 LEU 10 1HD2 LEU 10 -0.235 -6.697 -5.822 97 HD23 LEU 10 2HD2 LEU 10 -0.327 -5.139 -5.002 98 H THR 11 H THR 11 0.127 -3.069 -6.807 99 HA THR 11 HA THR 11 -1.735 -2.215 -4.656 100 HB THR 11 HB THR 11 -1.355 -0.239 -5.909 101 HG1 THR 11 HG1 THR 11 -3.674 -1.665 -6.543 102 HG21 THR 11 3HG2 THR 11 -1.492 -0.177 -8.360 103 HG22 THR 11 1HG2 THR 11 -1.723 -1.926 -8.388 104 HG23 THR 11 2HG2 THR 11 -0.204 -1.246 -7.806 105 H LEU 12 H LEU 12 -3.456 -3.386 -4.425 106 HA LEU 12 HA LEU 12 -4.299 -5.213 -6.614 107 HB2 LEU 12 1HB LEU 12 -3.347 -6.438 -4.726 108 HB3 LEU 12 2HB LEU 12 -4.412 -5.594 -3.608 109 HG LEU 12 HG LEU 12 -6.380 -6.600 -4.817 110 HD11 LEU 12 1HD1 LEU 12 -5.591 -7.127 -6.979 111 HD12 LEU 12 2HD1 LEU 12 -5.703 -8.700 -6.193 112 HD13 LEU 12 3HD1 LEU 12 -4.136 -7.906 -6.359 113 HD21 LEU 12 3HD2 LEU 12 -4.397 -8.658 -3.815 114 HD22 LEU 12 1HD2 LEU 12 -6.158 -8.763 -3.772 115 HD23 LEU 12 2HD2 LEU 12 -5.319 -7.590 -2.757 116 H GLY 13 H GLY 13 -6.260 -4.848 -7.398 117 HA2 GLY 13 1HA GLY 13 -8.523 -4.370 -7.461 118 HA3 GLY 13 2HA GLY 13 -8.477 -4.070 -5.728 119 H LYS 14 H LYS 14 -10.020 -2.378 -6.919 120 HA LYS 14 HA LYS 14 -8.704 -0.096 -8.062 121 HB2 LYS 14 1HB LYS 14 -11.035 -0.716 -8.630 122 HB3 LYS 14 2HB LYS 14 -11.522 -0.317 -6.981 123 HG2 LYS 14 1HG LYS 14 -10.749 1.996 -7.293 124 HG3 LYS 14 2HG LYS 14 -10.197 1.606 -8.920 125 HD2 LYS 14 1HD LYS 14 -12.519 1.054 -9.569 126 HD3 LYS 14 2HD LYS 14 -13.065 1.471 -7.943 127 HE2 LYS 14 1HE LYS 14 -12.219 3.765 -8.235 128 HE3 LYS 14 2HE LYS 14 -11.658 3.355 -9.854 129 HZ1 LYS 14 3HZ LYS 14 -13.917 4.482 -9.617 130 HZ2 LYS 14 1HZ LYS 14 -14.481 2.975 -9.084 131 HZ3 LYS 14 2HZ LYS 14 -13.810 3.129 -10.639 132 H LEU 15 H LEU 15 -8.135 1.779 -7.171 133 HA LEU 15 HA LEU 15 -8.490 2.147 -4.251 134 HB2 LEU 15 1HB LEU 15 -6.287 2.997 -4.042 135 HB3 LEU 15 2HB LEU 15 -6.136 1.505 -4.961 136 HG LEU 15 HG LEU 15 -6.046 4.346 -6.014 137 HD11 LEU 15 1HD1 LEU 15 -3.804 3.814 -6.633 138 HD12 LEU 15 2HD1 LEU 15 -4.061 2.090 -6.367 139 HD13 LEU 15 3HD1 LEU 15 -3.990 3.194 -4.991 140 HD21 LEU 15 3HD2 LEU 15 -7.295 3.186 -7.672 141 HD22 LEU 15 1HD2 LEU 15 -6.353 1.711 -7.467 142 HD23 LEU 15 2HD2 LEU 15 -5.634 3.119 -8.248 143 H SER 16 H SER 16 -8.034 4.540 -3.654 144 HA SER 16 HA SER 16 -10.009 6.112 -4.857 145 HB2 SER 16 1HB SER 16 -7.632 7.020 -3.225 146 HB3 SER 16 2HB SER 16 -9.059 7.987 -3.579 147 HG SER 16 HG SER 16 -9.216 5.433 -2.376 148 H GLN 17 H GLN 17 -6.484 6.112 -5.384 149 HA GLN 17 HA GLN 17 -6.600 8.284 -7.265 150 HB2 GLN 17 1HB GLN 17 -4.459 6.309 -6.478 151 HB3 GLN 17 2HB GLN 17 -4.227 7.419 -7.826 152 HG2 GLN 17 1HG GLN 17 -3.306 8.542 -5.957 153 HG3 GLN 17 2HG GLN 17 -4.878 9.297 -6.198 154 HE21 GLN 17 2HE2 GLN 17 -3.074 7.043 -4.116 155 HE22 GLN 17 1HE2 GLN 17 -4.195 7.062 -2.843 156 H ASN 18 H ASN 18 -6.789 8.240 -9.412 157 HA ASN 18 HA ASN 18 -7.890 5.900 -10.643 158 HB2 ASN 18 1HB ASN 18 -7.007 8.502 -11.909 159 HB3 ASN 18 2HB ASN 18 -8.089 7.304 -12.619 160 HD21 ASN 18 2HD2 ASN 18 -7.850 9.868 -10.233 161 HD22 ASN 18 1HD2 ASN 18 -9.496 9.914 -9.833 162 H LYS 19 H LYS 19 -7.035 5.563 -13.049 163 HA LYS 19 HA LYS 19 -4.628 4.113 -12.874 164 HB2 LYS 19 1HB LYS 19 -6.158 3.492 -14.564 165 HB3 LYS 19 2HB LYS 19 -6.284 5.142 -15.170 166 HG2 LYS 19 1HG LYS 19 -3.978 5.054 -16.002 167 HG3 LYS 19 2HG LYS 19 -3.765 3.451 -15.298 168 HD2 LYS 19 1HD LYS 19 -5.374 2.514 -16.825 169 HD3 LYS 19 2HD LYS 19 -5.822 4.124 -17.405 170 HE2 LYS 19 1HE LYS 19 -3.676 4.484 -18.366 171 HE3 LYS 19 2HE LYS 19 -2.990 3.079 -17.564 172 HZ1 LYS 19 3HZ LYS 19 -5.187 2.198 -19.027 173 HZ2 LYS 19 1HZ LYS 19 -3.548 1.897 -19.350 174 HZ3 LYS 19 2HZ LYS 19 -4.319 3.237 -20.055 175 H ASP 20 H ASP 20 -5.267 7.231 -14.490 176 HA ASP 20 HA ASP 20 -2.496 7.582 -15.122 177 HB2 ASP 20 1HB ASP 20 -4.933 9.351 -15.333 178 HB3 ASP 20 2HB ASP 20 -3.332 9.855 -15.854 179 H GLU 21 H GLU 21 -4.346 8.101 -12.340 180 HA GLU 21 HA GLU 21 -2.703 10.362 -11.385 181 HB2 GLU 21 1HB GLU 21 -5.221 9.097 -10.296 182 HB3 GLU 21 2HB GLU 21 -4.328 10.382 -9.480 183 HG2 GLU 21 1HG GLU 21 -4.624 11.845 -11.435 184 HG3 GLU 21 2HG GLU 21 -5.482 10.558 -12.278 185 H ALA 22 H ALA 22 -3.186 6.944 -10.895 186 HA ALA 22 HA ALA 22 -1.774 6.936 -8.340 187 HB1 ALA 22 3HB ALA 22 -3.498 5.321 -8.475 188 HB2 ALA 22 1HB ALA 22 -2.010 4.398 -8.677 189 HB3 ALA 22 2HB ALA 22 -2.998 4.799 -10.082 190 H LYS 23 H LYS 23 -1.269 5.623 -11.586 191 HA LYS 23 HA LYS 23 1.271 4.530 -11.185 192 HB2 LYS 23 1HB LYS 23 -0.088 5.614 -13.659 193 HB3 LYS 23 2HB LYS 23 1.368 4.613 -13.679 194 HG2 LYS 23 1HG LYS 23 0.173 2.811 -12.520 195 HG3 LYS 23 2HG LYS 23 -1.274 3.813 -12.427 196 HD2 LYS 23 1HD LYS 23 -1.395 3.890 -14.883 197 HD3 LYS 23 2HD LYS 23 0.049 2.874 -14.985 198 HE2 LYS 23 1HE LYS 23 -1.120 1.081 -13.758 199 HE3 LYS 23 2HE LYS 23 -2.555 2.096 -13.643 200 HZ1 LYS 23 3HZ LYS 23 -2.663 2.140 -16.063 201 HZ2 LYS 23 1HZ LYS 23 -2.744 0.551 -15.476 202 HZ3 LYS 23 2HZ LYS 23 -1.300 1.131 -16.156 203 H ALA 24 H ALA 24 0.297 7.716 -12.429 204 HA ALA 24 HA ALA 24 2.921 8.636 -12.981 205 HB1 ALA 24 3HB ALA 24 1.787 10.911 -12.943 206 HB2 ALA 24 1HB ALA 24 0.301 10.054 -12.529 207 HB3 ALA 24 2HB ALA 24 1.108 9.728 -14.061 208 H MET 25 H MET 25 0.774 9.166 -10.166 209 HA MET 25 HA MET 25 2.669 10.822 -8.839 210 HB2 MET 25 1HB MET 25 1.034 11.184 -7.301 211 HB3 MET 25 2HB MET 25 0.016 10.405 -8.499 212 HG2 MET 25 1HG MET 25 -0.500 9.283 -6.486 213 HG3 MET 25 2HG MET 25 0.620 8.203 -7.298 214 HE1 MET 25 3HE MET 25 1.669 11.634 -4.999 215 HE2 MET 25 1HE MET 25 1.013 10.736 -3.624 216 HE3 MET 25 2HE MET 25 0.025 11.007 -5.054 217 H ILE 26 H ILE 26 2.012 7.327 -8.644 218 HA ILE 26 HA ILE 26 3.660 6.835 -6.407 219 HB ILE 26 HB ILE 26 2.800 5.092 -8.714 220 HG12 ILE 26 1HG1 ILE 26 2.002 4.959 -5.799 221 HG13 ILE 26 2HG1 ILE 26 1.169 6.022 -6.925 222 HG21 ILE 26 1HG2 ILE 26 4.811 4.063 -7.948 223 HG22 ILE 26 2HG2 ILE 26 3.522 3.218 -7.092 224 HG23 ILE 26 3HG2 ILE 26 4.465 4.456 -6.265 225 HD11 ILE 26 3HD1 ILE 26 0.007 3.878 -6.785 226 HD12 ILE 26 1HD1 ILE 26 1.492 3.033 -7.219 227 HD13 ILE 26 2HD1 ILE 26 0.706 4.092 -8.388 228 H GLU 27 H GLU 27 4.390 6.818 -9.887 229 HA GLU 27 HA GLU 27 7.107 6.027 -9.529 230 HB2 GLU 27 1HB GLU 27 5.641 7.254 -11.863 231 HB3 GLU 27 2HB GLU 27 7.338 6.768 -11.929 232 HG2 GLU 27 1HG GLU 27 6.726 4.473 -11.310 233 HG3 GLU 27 2HG GLU 27 5.033 4.943 -11.180 234 H LYS 28 H LYS 28 5.468 9.112 -9.587 235 HA LYS 28 HA LYS 28 7.649 10.804 -10.108 236 HB2 LYS 28 1HB LYS 28 5.275 11.499 -10.107 237 HB3 LYS 28 2HB LYS 28 5.245 11.356 -8.352 238 HG2 LYS 28 1HG LYS 28 7.053 13.048 -8.192 239 HG3 LYS 28 2HG LYS 28 7.055 13.205 -9.946 240 HD2 LYS 28 1HD LYS 28 4.560 13.660 -8.298 241 HD3 LYS 28 2HD LYS 28 5.706 14.955 -8.629 242 HE2 LYS 28 1HE LYS 28 5.430 14.410 -11.104 243 HE3 LYS 28 2HE LYS 28 4.088 13.365 -10.639 244 HZ1 LYS 28 3HZ LYS 28 2.945 15.201 -9.685 245 HZ2 LYS 28 1HZ LYS 28 3.417 15.648 -11.253 246 HZ3 LYS 28 2HZ LYS 28 4.279 16.230 -9.909 247 H LEU 29 H LEU 29 6.421 9.540 -7.004 248 HA LEU 29 HA LEU 29 8.201 10.965 -5.315 249 HB2 LEU 29 1HB LEU 29 7.182 8.152 -4.848 250 HB3 LEU 29 2HB LEU 29 7.671 9.325 -3.644 251 HG LEU 29 HG LEU 29 5.327 9.617 -5.506 252 HD11 LEU 29 1HD1 LEU 29 3.940 9.185 -3.564 253 HD12 LEU 29 2HD1 LEU 29 5.361 9.100 -2.526 254 HD13 LEU 29 3HD1 LEU 29 5.081 7.850 -3.740 255 HD21 LEU 29 3HD2 LEU 29 6.466 11.315 -3.291 256 HD22 LEU 29 1HD2 LEU 29 4.789 11.473 -3.806 257 HD23 LEU 29 2HD2 LEU 29 6.091 11.797 -4.946 258 H GLY 30 H GLY 30 8.315 7.884 -6.898 259 HA2 GLY 30 1HA GLY 30 10.652 7.348 -7.786 260 HA3 GLY 30 2HA GLY 30 11.097 7.395 -6.081 261 H GLY 31 H GLY 31 8.010 6.520 -5.965 262 HA2 GLY 31 1HA GLY 31 8.460 3.863 -5.189 263 HA3 GLY 31 2HA GLY 31 6.891 4.553 -5.608 264 H LYS 32 H LYS 32 7.881 1.886 -6.211 265 HA LYS 32 HA LYS 32 7.693 1.938 -9.166 266 HB2 LYS 32 1HB LYS 32 9.529 0.265 -7.441 267 HB3 LYS 32 2HB LYS 32 9.184 -0.087 -9.134 268 HG2 LYS 32 1HG LYS 32 10.078 2.050 -9.830 269 HG3 LYS 32 2HG LYS 32 10.246 2.579 -8.159 270 HD2 LYS 32 1HD LYS 32 12.428 1.910 -8.794 271 HD3 LYS 32 2HD LYS 32 11.809 0.553 -7.857 272 HE2 LYS 32 1HE LYS 32 11.255 -0.658 -9.908 273 HE3 LYS 32 2HE LYS 32 11.736 0.727 -10.888 274 HZ1 LYS 32 3HZ LYS 32 13.659 -0.439 -10.931 275 HZ2 LYS 32 1HZ LYS 32 13.381 -1.197 -9.438 276 HZ3 LYS 32 2HZ LYS 32 13.934 0.409 -9.485 277 H LEU 33 H LEU 33 6.641 0.159 -10.109 278 HA LEU 33 HA LEU 33 4.747 -1.205 -8.298 279 HB2 LEU 33 1HB LEU 33 4.688 -0.843 -11.303 280 HB3 LEU 33 2HB LEU 33 3.416 -1.574 -10.327 281 HG LEU 33 HG LEU 33 4.408 1.278 -10.010 282 HD11 LEU 33 1HD1 LEU 33 2.130 1.817 -10.982 283 HD12 LEU 33 2HD1 LEU 33 1.985 0.111 -11.409 284 HD13 LEU 33 3HD1 LEU 33 3.263 1.093 -12.121 285 HD21 LEU 33 3HD2 LEU 33 2.278 -0.388 -8.655 286 HD22 LEU 33 1HD2 LEU 33 2.101 1.364 -8.763 287 HD23 LEU 33 2HD2 LEU 33 3.483 0.674 -7.924 288 H THR 34 H THR 34 5.330 -3.192 -7.705 289 HA THR 34 HA THR 34 7.061 -4.832 -9.402 290 HB THR 34 HB THR 34 6.856 -6.434 -7.426 291 HG1 THR 34 HG1 THR 34 5.358 -5.922 -6.064 292 HG21 THR 34 3HG2 THR 34 8.342 -5.040 -6.014 293 HG22 THR 34 1HG2 THR 34 7.865 -3.617 -6.939 294 HG23 THR 34 2HG2 THR 34 8.767 -4.914 -7.721 295 H GLY 35 H GLY 35 6.466 -7.135 -9.777 296 HA2 GLY 35 1HA GLY 35 3.587 -7.370 -10.464 297 HA3 GLY 35 2HA GLY 35 4.898 -8.163 -11.330 298 H SER 36 H SER 36 6.102 -8.657 -8.518 299 HA SER 36 HA SER 36 4.880 -11.275 -8.176 300 HB2 SER 36 1HB SER 36 7.350 -10.937 -8.075 301 HB3 SER 36 2HB SER 36 7.120 -9.991 -6.611 302 HG SER 36 HG SER 36 5.817 -12.390 -6.566 303 H ALA 37 H ALA 37 5.766 -10.975 -5.207 304 HA ALA 37 HA ALA 37 3.460 -9.427 -4.203 305 HB1 ALA 37 3HB ALA 37 2.547 -11.211 -2.996 306 HB2 ALA 37 1HB ALA 37 4.018 -12.176 -3.109 307 HB3 ALA 37 2HB ALA 37 2.990 -11.965 -4.526 308 H ASN 38 H ASN 38 5.828 -11.682 -2.785 309 HA ASN 38 HA ASN 38 6.244 -10.129 -0.478 310 HB2 ASN 38 1HB ASN 38 6.687 -12.523 -0.551 311 HB3 ASN 38 2HB ASN 38 8.054 -12.241 -1.627 312 HD21 ASN 38 2HD2 ASN 38 6.857 -10.838 1.481 313 HD22 ASN 38 1HD2 ASN 38 8.368 -10.858 2.252 314 H LYS 39 H LYS 39 7.760 -10.009 -3.610 315 HA LYS 39 HA LYS 39 10.139 -8.691 -2.903 316 HB2 LYS 39 1HB LYS 39 8.486 -8.567 -5.408 317 HB3 LYS 39 2HB LYS 39 10.033 -7.742 -5.227 318 HG2 LYS 39 1HG LYS 39 11.144 -9.855 -4.714 319 HG3 LYS 39 2HG LYS 39 9.604 -10.706 -4.787 320 HD2 LYS 39 1HD LYS 39 10.697 -11.061 -6.874 321 HD3 LYS 39 2HD LYS 39 9.389 -9.925 -7.165 322 HE2 LYS 39 1HE LYS 39 10.870 -8.085 -7.338 323 HE3 LYS 39 2HE LYS 39 12.196 -8.971 -6.587 324 HZ1 LYS 39 3HZ LYS 39 12.122 -10.479 -8.543 325 HZ2 LYS 39 1HZ LYS 39 12.586 -8.892 -8.910 326 HZ3 LYS 39 2HZ LYS 39 11.013 -9.418 -9.269 327 H ALA 40 H ALA 40 6.857 -7.564 -3.373 328 HA ALA 40 HA ALA 40 7.408 -4.769 -3.345 329 HB1 ALA 40 3HB ALA 40 5.068 -4.488 -3.130 330 HB2 ALA 40 1HB ALA 40 4.870 -6.068 -2.369 331 HB3 ALA 40 2HB ALA 40 5.273 -5.962 -4.081 332 H SER 41 H SER 41 6.892 -3.254 -1.570 333 HA SER 41 HA SER 41 7.765 -4.392 1.016 334 HB2 SER 41 1HB SER 41 7.532 -1.546 0.033 335 HB3 SER 41 2HB SER 41 8.049 -1.998 1.653 336 HG SER 41 HG SER 41 9.887 -2.756 0.872 337 H LEU 42 H LEU 42 5.546 -1.748 0.156 338 HA LEU 42 HA LEU 42 3.558 -2.904 2.035 339 HB2 LEU 42 1HB LEU 42 4.415 -0.074 1.527 340 HB3 LEU 42 2HB LEU 42 2.749 -0.374 2.008 341 HG LEU 42 HG LEU 42 3.535 -1.578 4.013 342 HD11 LEU 42 1HD1 LEU 42 5.599 -2.534 3.538 343 HD12 LEU 42 2HD1 LEU 42 6.102 -1.155 4.504 344 HD13 LEU 42 3HD1 LEU 42 6.216 -1.085 2.748 345 HD21 LEU 42 3HD2 LEU 42 3.345 1.073 3.778 346 HD22 LEU 42 1HD2 LEU 42 5.084 0.999 4.070 347 HD23 LEU 42 2HD2 LEU 42 3.961 0.339 5.256 348 H CYS 43 H CYS 43 1.846 -3.647 1.096 349 HA CYS 43 HA CYS 43 1.253 -3.126 -1.688 350 HB2 CYS 43 1HB CYS 43 0.918 -5.372 -0.991 351 HB3 CYS 43 2HB CYS 43 0.008 -4.872 0.434 352 HG CYS 43 HG CYS 43 -1.128 -5.171 -2.395 353 H ILE 44 H ILE 44 -0.437 -1.952 -2.508 354 HA ILE 44 HA ILE 44 -1.806 -0.156 -0.623 355 HB ILE 44 HB ILE 44 -1.671 -0.129 -3.646 356 HG12 ILE 44 1HG1 ILE 44 0.500 0.355 -2.598 357 HG13 ILE 44 2HG1 ILE 44 -0.174 1.810 -3.326 358 HG21 ILE 44 1HG2 ILE 44 -3.700 0.924 -3.001 359 HG22 ILE 44 2HG2 ILE 44 -2.557 2.237 -3.272 360 HG23 ILE 44 3HG2 ILE 44 -2.939 1.724 -1.629 361 HD11 ILE 44 3HD1 ILE 44 -1.166 2.157 -0.864 362 HD12 ILE 44 1HD1 ILE 44 0.475 2.653 -1.269 363 HD13 ILE 44 2HD1 ILE 44 0.195 1.125 -0.436 364 H SER 45 H SER 45 -3.632 -0.863 0.135 365 HA SER 45 HA SER 45 -5.768 -1.691 -1.631 366 HB2 SER 45 1HB SER 45 -4.717 -3.850 -1.308 367 HB3 SER 45 2HB SER 45 -4.647 -3.598 0.428 368 HG SER 45 HG SER 45 -6.675 -4.117 0.581 369 H THR 46 H THR 46 -7.817 -1.614 -0.605 370 HA THR 46 HA THR 46 -7.832 0.049 1.824 371 HB THR 46 HB THR 46 -10.130 0.557 1.238 372 HG1 THR 46 HG1 THR 46 -11.217 -0.793 0.087 373 HG21 THR 46 3HG2 THR 46 -8.199 0.636 -1.089 374 HG22 THR 46 1HG2 THR 46 -8.517 1.908 0.089 375 HG23 THR 46 2HG2 THR 46 -9.751 1.473 -1.092 376 H LYS 47 H LYS 47 -9.512 -0.421 3.445 377 HA LYS 47 HA LYS 47 -9.246 -3.005 4.475 378 HB2 LYS 47 1HB LYS 47 -9.868 -0.822 5.687 379 HB3 LYS 47 2HB LYS 47 -11.512 -1.134 5.139 380 HG2 LYS 47 1HG LYS 47 -11.401 -2.065 7.308 381 HG3 LYS 47 2HG LYS 47 -11.292 -3.436 6.212 382 HD2 LYS 47 1HD LYS 47 -9.445 -4.037 7.417 383 HD3 LYS 47 2HD LYS 47 -8.608 -2.759 6.557 384 HE2 LYS 47 1HE LYS 47 -8.150 -2.169 8.747 385 HE3 LYS 47 2HE LYS 47 -9.615 -1.233 8.484 386 HZ1 LYS 47 3HZ LYS 47 -9.238 -3.052 10.462 387 HZ2 LYS 47 1HZ LYS 47 -10.128 -3.932 9.317 388 HZ3 LYS 47 2HZ LYS 47 -10.745 -2.472 9.932 389 H LYS 48 H LYS 48 -11.794 -1.538 2.510 390 HA LYS 48 HA LYS 48 -13.700 -3.572 2.758 391 HB2 LYS 48 1HB LYS 48 -13.073 -1.719 0.452 392 HB3 LYS 48 2HB LYS 48 -14.453 -2.822 0.459 393 HG2 LYS 48 1HG LYS 48 -15.279 -1.782 2.537 394 HG3 LYS 48 2HG LYS 48 -13.901 -0.680 2.536 395 HD2 LYS 48 1HD LYS 48 -14.629 0.257 0.380 396 HD3 LYS 48 2HD LYS 48 -15.989 -0.868 0.345 397 HE2 LYS 48 1HE LYS 48 -16.872 0.119 2.417 398 HE3 LYS 48 2HE LYS 48 -15.512 1.238 2.478 399 HZ1 LYS 48 3HZ LYS 48 -17.910 1.580 1.147 400 HZ2 LYS 48 1HZ LYS 48 -16.752 1.326 -0.063 401 HZ3 LYS 48 2HZ LYS 48 -16.537 2.578 1.065 402 H GLU 49 H GLU 49 -10.870 -3.316 0.634 403 HA GLU 49 HA GLU 49 -11.430 -5.666 -0.869 404 HB2 GLU 49 1HB GLU 49 -8.814 -4.279 -0.249 405 HB3 GLU 49 2HB GLU 49 -9.001 -5.582 -1.423 406 HG2 GLU 49 1HG GLU 49 -10.610 -4.240 -2.694 407 HG3 GLU 49 2HG GLU 49 -10.488 -2.945 -1.502 408 H VAL 50 H VAL 50 -9.643 -4.999 2.098 409 HA VAL 50 HA VAL 50 -8.558 -7.582 2.505 410 HB VAL 50 HB VAL 50 -9.275 -5.440 4.504 411 HG11 VAL 50 1HG1 VAL 50 -7.562 -7.918 4.753 412 HG12 VAL 50 2HG1 VAL 50 -9.005 -7.519 5.690 413 HG13 VAL 50 3HG1 VAL 50 -7.525 -6.583 5.902 414 HG21 VAL 50 3HG2 VAL 50 -6.795 -4.985 4.356 415 HG22 VAL 50 1HG2 VAL 50 -7.682 -4.621 2.879 416 HG23 VAL 50 2HG2 VAL 50 -6.733 -6.099 2.990 417 H GLU 51 H GLU 51 -11.591 -6.099 3.688 418 HA GLU 51 HA GLU 51 -12.449 -8.056 5.444 419 HB2 GLU 51 1HB GLU 51 -14.096 -6.410 3.498 420 HB3 GLU 51 2HB GLU 51 -14.771 -7.358 4.826 421 HG2 GLU 51 1HG GLU 51 -12.671 -5.227 5.232 422 HG3 GLU 51 2HG GLU 51 -14.392 -4.917 5.387 423 H LYS 52 H LYS 52 -12.669 -8.034 1.936 424 HA LYS 52 HA LYS 52 -14.412 -10.215 1.619 425 HB2 LYS 52 1HB LYS 52 -12.239 -9.646 -0.380 426 HB3 LYS 52 2HB LYS 52 -13.941 -10.039 -0.650 427 HG2 LYS 52 1HG LYS 52 -14.285 -7.717 0.685 428 HG3 LYS 52 2HG LYS 52 -12.680 -7.415 0.038 429 HD2 LYS 52 1HD LYS 52 -13.920 -6.604 -1.715 430 HD3 LYS 52 2HD LYS 52 -13.816 -8.282 -2.229 431 HE2 LYS 52 1HE LYS 52 -15.994 -8.759 -1.199 432 HE3 LYS 52 2HE LYS 52 -16.095 -7.100 -0.607 433 HZ1 LYS 52 3HZ LYS 52 -15.641 -7.487 -3.469 434 HZ2 LYS 52 1HZ LYS 52 -16.532 -6.289 -2.663 435 HZ3 LYS 52 2HZ LYS 52 -17.192 -7.839 -2.874 436 H MET 53 H MET 53 -10.901 -10.036 1.898 437 HA MET 53 HA MET 53 -9.295 -11.662 2.206 438 HB2 MET 53 1HB MET 53 -11.699 -13.154 3.290 439 HB3 MET 53 2HB MET 53 -10.056 -13.780 3.353 440 HG2 MET 53 1HG MET 53 -10.637 -11.029 4.421 441 HG3 MET 53 2HG MET 53 -10.988 -12.443 5.404 442 HE1 MET 53 3HE MET 53 -8.317 -10.010 4.130 443 HE2 MET 53 1HE MET 53 -7.229 -10.315 5.491 444 HE3 MET 53 2HE MET 53 -8.929 -9.946 5.779 445 H SER 54 H SER 54 -9.781 -11.423 -0.293 446 HA SER 54 HA SER 54 -10.815 -13.761 -1.610 447 HB2 SER 54 1HB SER 54 -9.123 -11.521 -2.737 448 HB3 SER 54 2HB SER 54 -10.123 -12.649 -3.649 449 HG SER 54 HG SER 54 -11.878 -11.793 -2.233 450 H LYS 55 H LYS 55 -9.318 -14.710 -3.403 451 HA LYS 55 HA LYS 55 -7.311 -16.240 -2.142 452 HB2 LYS 55 1HB LYS 55 -7.876 -15.696 -5.068 453 HB3 LYS 55 2HB LYS 55 -6.715 -16.893 -4.495 454 HG2 LYS 55 1HG LYS 55 -8.476 -18.068 -3.273 455 HG3 LYS 55 2HG LYS 55 -9.653 -16.849 -3.757 456 HD2 LYS 55 1HD LYS 55 -9.321 -17.442 -6.116 457 HD3 LYS 55 2HD LYS 55 -8.115 -18.646 -5.659 458 HE2 LYS 55 1HE LYS 55 -9.814 -19.864 -4.359 459 HE3 LYS 55 2HE LYS 55 -11.022 -18.653 -4.786 460 HZ1 LYS 55 3HZ LYS 55 -10.920 -20.771 -6.168 461 HZ2 LYS 55 1HZ LYS 55 -9.516 -20.120 -6.861 462 HZ3 LYS 55 2HZ LYS 55 -10.995 -19.294 -7.003 463 H LYS 56 H LYS 56 -7.167 -13.351 -4.164 464 HA LYS 56 HA LYS 56 -4.371 -13.207 -4.393 465 HB2 LYS 56 1HB LYS 56 -6.514 -11.088 -4.590 466 HB3 LYS 56 2HB LYS 56 -4.806 -10.735 -4.832 467 HG2 LYS 56 1HG LYS 56 -5.410 -11.183 -7.033 468 HG3 LYS 56 2HG LYS 56 -4.962 -12.806 -6.528 469 HD2 LYS 56 1HD LYS 56 -7.045 -13.195 -7.493 470 HD3 LYS 56 2HD LYS 56 -7.492 -12.977 -5.809 471 HE2 LYS 56 1HE LYS 56 -9.003 -11.509 -6.764 472 HE3 LYS 56 2HE LYS 56 -7.643 -10.399 -6.600 473 HZ1 LYS 56 3HZ LYS 56 -7.122 -10.577 -8.822 474 HZ2 LYS 56 1HZ LYS 56 -8.816 -10.643 -8.867 475 HZ3 LYS 56 2HZ LYS 56 -7.906 -12.071 -9.010 476 H MET 57 H MET 57 -6.616 -11.978 -1.948 477 HA MET 57 HA MET 57 -4.730 -10.452 -0.500 478 HB2 MET 57 1HB MET 57 -7.449 -10.998 -0.259 479 HB3 MET 57 2HB MET 57 -6.780 -11.792 1.161 480 HG2 MET 57 1HG MET 57 -6.482 -8.882 0.371 481 HG3 MET 57 2HG MET 57 -7.314 -9.528 1.781 482 HE1 MET 57 3HE MET 57 -6.389 -11.017 3.331 483 HE2 MET 57 1HE MET 57 -4.906 -10.636 4.212 484 HE3 MET 57 2HE MET 57 -4.891 -11.841 2.927 485 H GLU 58 H GLU 58 -5.644 -13.858 -0.394 486 HA GLU 58 HA GLU 58 -4.149 -14.585 1.878 487 HB2 GLU 58 1HB GLU 58 -4.893 -16.206 -0.569 488 HB3 GLU 58 2HB GLU 58 -4.197 -16.888 0.894 489 HG2 GLU 58 1HG GLU 58 -6.783 -15.306 0.804 490 HG3 GLU 58 2HG GLU 58 -6.686 -17.066 0.833 491 H GLU 59 H GLU 59 -3.244 -14.190 -1.520 492 HA GLU 59 HA GLU 59 -0.677 -15.380 -1.369 493 HB2 GLU 59 1HB GLU 59 -1.591 -13.079 -3.113 494 HB3 GLU 59 2HB GLU 59 -0.207 -14.122 -3.406 495 HG2 GLU 59 1HG GLU 59 -2.911 -15.399 -3.072 496 HG3 GLU 59 2HG GLU 59 -2.558 -14.590 -4.578 497 H VAL 60 H VAL 60 -1.829 -12.063 -0.952 498 HA VAL 60 HA VAL 60 0.694 -10.842 -0.481 499 HB VAL 60 HB VAL 60 -2.086 -10.047 0.450 500 HG11 VAL 60 1HG1 VAL 60 -0.330 -8.895 1.737 501 HG12 VAL 60 2HG1 VAL 60 -1.115 -7.777 0.624 502 HG13 VAL 60 3HG1 VAL 60 0.469 -8.437 0.235 503 HG21 VAL 60 3HG2 VAL 60 -2.135 -8.659 -1.534 504 HG22 VAL 60 1HG2 VAL 60 -1.745 -10.305 -2.032 505 HG23 VAL 60 2HG2 VAL 60 -0.470 -9.088 -1.930 506 H LYS 61 H LYS 61 -1.776 -12.186 1.680 507 HA LYS 61 HA LYS 61 -0.507 -11.585 4.125 508 HB2 LYS 61 1HB LYS 61 -2.855 -12.264 3.956 509 HB3 LYS 61 2HB LYS 61 -2.374 -13.871 3.422 510 HG2 LYS 61 1HG LYS 61 -1.146 -14.168 5.594 511 HG3 LYS 61 2HG LYS 61 -1.742 -12.595 6.111 512 HD2 LYS 61 1HD LYS 61 -3.587 -14.827 5.246 513 HD3 LYS 61 2HD LYS 61 -3.053 -14.641 6.913 514 HE2 LYS 61 1HE LYS 61 -3.949 -12.258 6.814 515 HE3 LYS 61 2HE LYS 61 -4.697 -12.698 5.278 516 HZ1 LYS 61 3HZ LYS 61 -5.117 -14.526 7.497 517 HZ2 LYS 61 1HZ LYS 61 -6.184 -14.045 6.270 518 HZ3 LYS 61 2HZ LYS 61 -5.906 -13.023 7.599 519 H ALA 62 H ALA 62 -0.388 -14.486 2.066 520 HA ALA 62 HA ALA 62 1.448 -15.878 3.778 521 HB1 ALA 62 3HB ALA 62 0.596 -16.368 0.916 522 HB2 ALA 62 1HB ALA 62 -0.059 -17.137 2.362 523 HB3 ALA 62 2HB ALA 62 1.599 -17.468 1.863 524 H ALA 63 H ALA 63 1.790 -13.360 1.578 525 HA ALA 63 HA ALA 63 4.518 -14.030 0.752 526 HB1 ALA 63 3HB ALA 63 4.392 -11.889 -0.488 527 HB2 ALA 63 1HB ALA 63 2.788 -11.611 0.188 528 HB3 ALA 63 2HB ALA 63 3.062 -12.970 -0.902 529 H ASN 64 H ASN 64 2.990 -12.689 3.381 530 HA ASN 64 HA ASN 64 3.704 -11.493 5.182 531 HB2 ASN 64 1HB ASN 64 5.731 -13.169 4.608 532 HB3 ASN 64 2HB ASN 64 6.577 -11.654 4.335 533 HD21 ASN 64 2HD2 ASN 64 4.187 -12.857 6.749 534 HD22 ASN 64 1HD2 ASN 64 5.045 -12.286 8.103 535 H VAL 65 H VAL 65 2.727 -9.883 3.365 536 HA VAL 65 HA VAL 65 4.635 -7.612 3.185 537 HB VAL 65 HB VAL 65 2.520 -8.578 1.266 538 HG11 VAL 65 1HG1 VAL 65 3.804 -5.874 1.540 539 HG12 VAL 65 2HG1 VAL 65 2.137 -6.275 1.142 540 HG13 VAL 65 3HG1 VAL 65 3.405 -6.482 -0.064 541 HG21 VAL 65 3HG2 VAL 65 4.871 -9.521 1.265 542 HG22 VAL 65 1HG2 VAL 65 5.425 -7.911 0.798 543 HG23 VAL 65 2HG2 VAL 65 4.333 -8.810 -0.253 544 H ARG 66 H ARG 66 3.990 -5.889 4.326 545 HA ARG 66 HA ARG 66 1.470 -5.882 5.672 546 HB2 ARG 66 1HB ARG 66 3.460 -4.738 6.618 547 HB3 ARG 66 2HB ARG 66 3.376 -3.559 5.310 548 HG2 ARG 66 1HG ARG 66 1.185 -2.828 6.019 549 HG3 ARG 66 2HG ARG 66 1.087 -4.124 7.210 550 HD2 ARG 66 1HD ARG 66 3.176 -1.937 7.241 551 HD3 ARG 66 2HD ARG 66 1.710 -1.923 8.214 552 HE ARG 66 HE ARG 66 2.855 -4.330 8.810 553 HH11 ARG 66 1HH2 ARG 66 3.914 -1.030 8.815 554 HH12 ARG 66 2HH2 ARG 66 5.060 -1.262 10.094 555 HH21 ARG 66 1HH1 ARG 66 4.352 -4.636 10.473 556 HH22 ARG 66 2HH1 ARG 66 5.317 -3.308 11.025 557 H VAL 67 H VAL 67 -0.289 -4.587 5.353 558 HA VAL 67 HA VAL 67 -0.599 -3.516 2.612 559 HB VAL 67 HB VAL 67 -2.573 -4.761 4.534 560 HG11 VAL 67 1HG1 VAL 67 -3.011 -3.164 2.015 561 HG12 VAL 67 2HG1 VAL 67 -3.801 -2.978 3.581 562 HG13 VAL 67 3HG1 VAL 67 -4.185 -4.365 2.562 563 HG21 VAL 67 3HG2 VAL 67 -2.760 -6.490 2.924 564 HG22 VAL 67 1HG2 VAL 67 -1.030 -6.160 2.999 565 HG23 VAL 67 2HG2 VAL 67 -1.992 -5.521 1.667 566 H VAL 68 H VAL 68 -1.062 -1.415 2.399 567 HA VAL 68 HA VAL 68 -2.030 0.099 4.753 568 HB VAL 68 HB VAL 68 -0.569 1.961 4.134 569 HG11 VAL 68 1HG1 VAL 68 1.249 -0.442 4.273 570 HG12 VAL 68 2HG1 VAL 68 0.186 -0.064 5.623 571 HG13 VAL 68 3HG1 VAL 68 1.389 1.107 5.100 572 HG21 VAL 68 3HG2 VAL 68 1.296 1.439 2.468 573 HG22 VAL 68 1HG2 VAL 68 -0.306 1.695 1.777 574 HG23 VAL 68 2HG2 VAL 68 0.329 0.058 1.956 575 H CYS 69 H CYS 69 -3.074 2.129 4.168 576 HA CYS 69 HA CYS 69 -4.820 1.742 1.912 577 HB2 CYS 69 1HB CYS 69 -6.144 3.401 2.859 578 HB3 CYS 69 2HB CYS 69 -5.319 2.766 4.277 579 HG CYS 69 HG CYS 69 -5.180 5.586 3.501 580 H GLU 70 H GLU 70 -5.113 3.176 0.169 581 HA GLU 70 HA GLU 70 -2.739 4.012 -1.084 582 HB2 GLU 70 1HB GLU 70 -4.193 4.895 -2.842 583 HB3 GLU 70 2HB GLU 70 -4.719 3.297 -2.329 584 HG2 GLU 70 1HG GLU 70 -5.930 5.846 -1.229 585 HG3 GLU 70 2HG GLU 70 -6.572 5.000 -2.631 586 H ASP 71 H ASP 71 -5.061 5.754 0.882 587 HA ASP 71 HA ASP 71 -4.358 8.370 0.125 588 HB2 ASP 71 1HB ASP 71 -5.370 7.273 2.755 589 HB3 ASP 71 2HB ASP 71 -5.111 8.990 2.468 590 H PHE 72 H PHE 72 -2.523 5.963 1.526 591 HA PHE 72 HA PHE 72 -0.800 7.352 3.278 592 HB2 PHE 72 1HB PHE 72 -0.800 4.884 3.060 593 HB3 PHE 72 2HB PHE 72 -0.151 5.038 1.429 594 HD1 PHE 72 HD2 PHE 72 2.105 6.145 1.087 595 HD2 PHE 72 HD1 PHE 72 0.615 5.062 4.975 596 HE1 PHE 72 HE2 PHE 72 4.399 6.280 2.011 597 HE2 PHE 72 HE1 PHE 72 2.912 5.216 5.896 598 HZ PHE 72 HZ PHE 72 4.803 5.821 4.414 599 H LEU 73 H LEU 73 -0.783 6.815 -0.210 600 HA LEU 73 HA LEU 73 1.687 8.013 -0.821 601 HB2 LEU 73 1HB LEU 73 -0.894 7.847 -2.397 602 HB3 LEU 73 2HB LEU 73 0.633 8.397 -3.077 603 HG LEU 73 HG LEU 73 0.250 5.692 -1.760 604 HD11 LEU 73 1HD1 LEU 73 0.095 4.758 -3.995 605 HD12 LEU 73 2HD1 LEU 73 0.333 6.347 -4.719 606 HD13 LEU 73 3HD1 LEU 73 -1.143 6.000 -3.819 607 HD21 LEU 73 3HD2 LEU 73 2.523 7.069 -3.182 608 HD22 LEU 73 1HD2 LEU 73 2.369 5.316 -3.312 609 HD23 LEU 73 2HD2 LEU 73 2.552 6.067 -1.732 610 H GLN 74 H GLN 74 -1.579 9.352 -0.496 611 HA GLN 74 HA GLN 74 -0.921 12.009 -1.253 612 HB2 GLN 74 1HB GLN 74 -3.131 11.128 0.619 613 HB3 GLN 74 2HB GLN 74 -3.060 12.620 -0.318 614 HG2 GLN 74 1HG GLN 74 -3.185 9.819 -1.467 615 HG3 GLN 74 2HG GLN 74 -4.517 10.972 -1.418 616 HE21 GLN 74 2HE2 GLN 74 -2.236 9.764 -3.485 617 HE22 GLN 74 1HE2 GLN 74 -2.075 11.089 -4.535 618 H ASP 75 H ASP 75 -0.959 10.281 1.821 619 HA ASP 75 HA ASP 75 -0.623 12.454 3.568 620 HB2 ASP 75 1HB ASP 75 0.208 9.565 3.768 621 HB3 ASP 75 2HB ASP 75 0.401 10.707 5.094 622 H VAL 76 H VAL 76 1.884 10.350 2.082 623 HA VAL 76 HA VAL 76 4.036 11.831 3.249 624 HB VAL 76 HB VAL 76 5.464 10.655 1.578 625 HG11 VAL 76 1HG1 VAL 76 5.128 8.440 2.513 626 HG12 VAL 76 2HG1 VAL 76 3.475 8.848 2.980 627 HG13 VAL 76 3HG1 VAL 76 4.839 9.642 3.769 628 HG21 VAL 76 3HG2 VAL 76 4.343 8.896 0.189 629 HG22 VAL 76 1HG2 VAL 76 3.913 10.539 -0.287 630 HG23 VAL 76 2HG2 VAL 76 2.781 9.572 0.661 631 H SER 77 H SER 77 2.284 11.941 0.223 632 HA SER 77 HA SER 77 3.937 13.743 -1.174 633 HB2 SER 77 1HB SER 77 2.133 12.491 -2.262 634 HB3 SER 77 2HB SER 77 0.938 13.406 -1.347 635 HG SER 77 HG SER 77 2.623 15.108 -2.502 636 H ALA 78 H ALA 78 1.185 14.353 1.015 637 HA ALA 78 HA ALA 78 1.589 17.249 0.772 638 HB1 ALA 78 3HB ALA 78 -0.376 17.396 2.268 639 HB2 ALA 78 1HB ALA 78 -0.411 15.637 2.379 640 HB3 ALA 78 2HB ALA 78 -0.711 16.430 0.831 641 H SER 79 H SER 79 1.216 15.013 3.515 642 HA SER 79 HA SER 79 2.700 16.783 5.267 643 HB2 SER 79 1HB SER 79 0.796 15.551 6.165 644 HB3 SER 79 2HB SER 79 1.539 14.020 5.707 645 HG SER 79 HG SER 79 2.481 15.932 7.579 646 H ALA 80 H ALA 80 4.489 15.846 6.640 647 HA ALA 80 HA ALA 80 6.146 13.866 5.212 648 HB1 ALA 80 3HB ALA 80 7.231 16.516 6.181 649 HB2 ALA 80 1HB ALA 80 6.825 16.173 4.502 650 HB3 ALA 80 2HB ALA 80 8.104 15.260 5.301 651 H LYS 81 H LYS 81 4.660 13.418 7.547 652 HA LYS 81 HA LYS 81 6.238 13.787 9.899 653 HB2 LYS 81 1HB LYS 81 3.937 11.938 9.281 654 HB3 LYS 81 2HB LYS 81 4.649 12.105 10.884 655 HG2 LYS 81 1HG LYS 81 4.203 14.553 10.767 656 HG3 LYS 81 2HG LYS 81 3.373 14.277 9.254 657 HD2 LYS 81 1HD LYS 81 2.599 12.897 11.827 658 HD3 LYS 81 2HD LYS 81 1.850 14.394 11.274 659 HE2 LYS 81 1HE LYS 81 1.328 13.152 9.095 660 HE3 LYS 81 2HE LYS 81 1.774 11.678 9.950 661 HZ1 LYS 81 3HZ LYS 81 -0.512 11.876 10.248 662 HZ2 LYS 81 1HZ LYS 81 -0.435 13.540 10.560 663 HZ3 LYS 81 2HZ LYS 81 0.148 12.434 11.709 664 H SER 82 H SER 82 6.236 11.424 11.133 665 HA SER 82 HA SER 82 8.594 10.172 10.086 666 HB2 SER 82 1HB SER 82 6.804 9.617 12.443 667 HB3 SER 82 2HB SER 82 8.124 8.531 12.021 668 HG SER 82 HG SER 82 8.360 10.596 13.481 669 H LEU 83 H LEU 83 8.869 8.194 9.185 670 HA LEU 83 HA LEU 83 6.847 7.176 7.498 671 HB2 LEU 83 1HB LEU 83 9.420 5.975 8.533 672 HB3 LEU 83 2HB LEU 83 8.450 5.258 7.255 673 HG LEU 83 HG LEU 83 9.353 8.124 7.001 674 HD11 LEU 83 1HD1 LEU 83 10.949 5.669 6.217 675 HD12 LEU 83 2HD1 LEU 83 11.358 6.772 7.531 676 HD13 LEU 83 3HD1 LEU 83 11.383 7.341 5.858 677 HD21 LEU 83 3HD2 LEU 83 8.986 5.958 4.905 678 HD22 LEU 83 1HD2 LEU 83 9.132 7.692 4.637 679 HD23 LEU 83 2HD2 LEU 83 7.685 7.037 5.394 680 H GLN 84 H GLN 84 8.182 6.094 10.566 681 HA GLN 84 HA GLN 84 6.670 3.718 10.815 682 HB2 GLN 84 1HB GLN 84 7.929 5.456 12.948 683 HB3 GLN 84 2HB GLN 84 7.324 3.820 13.203 684 HG2 GLN 84 1HG GLN 84 9.477 4.565 11.205 685 HG3 GLN 84 2HG GLN 84 9.784 3.875 12.796 686 HE21 GLN 84 2HE2 GLN 84 9.446 3.018 9.578 687 HE22 GLN 84 1HE2 GLN 84 8.994 1.394 9.781 688 H GLU 85 H GLU 85 6.068 7.031 11.892 689 HA GLU 85 HA GLU 85 3.774 6.457 13.451 690 HB2 GLU 85 1HB GLU 85 5.060 8.563 13.617 691 HB3 GLU 85 2HB GLU 85 4.495 9.018 12.008 692 HG2 GLU 85 1HG GLU 85 2.179 9.012 12.774 693 HG3 GLU 85 2HG GLU 85 2.678 8.441 14.367 694 H LEU 86 H LEU 86 4.181 7.327 10.041 695 HA LEU 86 HA LEU 86 1.455 7.660 9.418 696 HB2 LEU 86 1HB LEU 86 3.844 6.891 7.746 697 HB3 LEU 86 2HB LEU 86 2.250 7.155 7.050 698 HG LEU 86 HG LEU 86 3.629 9.215 8.796 699 HD11 LEU 86 1HD1 LEU 86 5.019 8.686 6.794 700 HD12 LEU 86 2HD1 LEU 86 4.361 10.321 6.738 701 HD13 LEU 86 3HD1 LEU 86 3.632 9.043 5.765 702 HD21 LEU 86 3HD2 LEU 86 1.344 9.798 8.625 703 HD22 LEU 86 1HD2 LEU 86 1.211 9.186 6.977 704 HD23 LEU 86 2HD2 LEU 86 2.061 10.697 7.296 705 H LEU 87 H LEU 87 3.514 4.753 9.273 706 HA LEU 87 HA LEU 87 1.301 3.158 8.282 707 HB2 LEU 87 1HB LEU 87 2.855 1.285 8.346 708 HB3 LEU 87 2HB LEU 87 3.607 2.673 7.574 709 HG LEU 87 HG LEU 87 4.643 3.225 9.833 710 HD11 LEU 87 1HD1 LEU 87 3.224 0.701 10.537 711 HD12 LEU 87 2HD1 LEU 87 3.727 2.041 11.566 712 HD13 LEU 87 3HD1 LEU 87 4.891 0.810 11.099 713 HD21 LEU 87 3HD2 LEU 87 6.444 1.547 9.523 714 HD22 LEU 87 1HD2 LEU 87 5.910 2.223 7.985 715 HD23 LEU 87 2HD2 LEU 87 5.375 0.617 8.475 716 H SER 88 H SER 88 2.184 4.330 11.275 717 HA SER 88 HA SER 88 1.557 2.081 12.915 718 HB2 SER 88 1HB SER 88 2.881 4.022 13.716 719 HB3 SER 88 2HB SER 88 1.436 5.021 13.616 720 HG SER 88 HG SER 88 1.695 4.195 15.711 721 H ALA 89 H ALA 89 -0.317 4.703 11.502 722 HA ALA 89 HA ALA 89 -2.780 3.640 12.785 723 HB1 ALA 89 3HB ALA 89 -3.750 5.859 12.138 724 HB2 ALA 89 1HB ALA 89 -2.144 6.345 11.597 725 HB3 ALA 89 2HB ALA 89 -2.423 5.964 13.296 726 H HIS 90 H HIS 90 -1.444 4.723 9.678 727 HA HIS 90 HA HIS 90 -3.783 4.300 8.151 728 HB2 HIS 90 1HB HIS 90 -0.881 4.276 7.321 729 HB3 HIS 90 2HB HIS 90 -2.245 4.303 6.203 730 HD1 HIS 90 HD1 HIS 90 -4.091 6.263 7.746 731 HD2 HIS 90 HD2 HIS 90 -0.049 6.950 7.020 732 HE1 HIS 90 HE1 HIS 90 -3.750 8.767 7.904 733 HE2 HIS 90 HE2 HIS 90 -1.289 9.204 7.459 734 H SER 91 H SER 91 -1.107 2.172 8.995 735 HA SER 91 HA SER 91 -1.468 0.143 7.207 736 HB2 SER 91 1HB SER 91 0.407 0.123 8.701 737 HB3 SER 91 2HB SER 91 -0.660 -0.006 10.098 738 HG SER 91 HG SER 91 -1.395 -1.960 8.640 739 H LEU 92 H LEU 92 -2.917 -1.148 6.805 740 HA LEU 92 HA LEU 92 -5.244 -1.548 8.564 741 HB2 LEU 92 1HB LEU 92 -4.764 -2.332 5.675 742 HB3 LEU 92 2HB LEU 92 -6.281 -2.528 6.548 743 HG LEU 92 HG LEU 92 -4.922 0.168 6.196 744 HD11 LEU 92 1HD1 LEU 92 -5.509 -0.846 3.992 745 HD12 LEU 92 2HD1 LEU 92 -6.497 0.569 4.357 746 HD13 LEU 92 3HD1 LEU 92 -7.169 -1.050 4.552 747 HD21 LEU 92 3HD2 LEU 92 -7.291 0.970 6.595 748 HD22 LEU 92 1HD2 LEU 92 -6.573 0.178 7.992 749 HD23 LEU 92 2HD2 LEU 92 -7.737 -0.686 6.990 750 H SER 93 H SER 93 -2.290 -2.973 7.942 751 HA SER 93 HA SER 93 -3.248 -5.597 8.941 752 HB2 SER 93 1HB SER 93 -1.356 -5.101 6.646 753 HB3 SER 93 2HB SER 93 -1.464 -6.645 7.482 754 HG SER 93 HG SER 93 -3.607 -5.253 6.235 755 H SER 94 H SER 94 -1.772 -6.743 10.231 756 HA SER 94 HA SER 94 0.322 -5.055 11.453 757 HB2 SER 94 1HB SER 94 0.117 -6.495 13.388 758 HB3 SER 94 2HB SER 94 -1.484 -5.944 12.904 759 HG SER 94 HG SER 94 -1.294 -8.242 13.338 760 H TRP 95 H TRP 95 0.167 -7.388 9.123 761 HA TRP 95 HA TRP 95 2.664 -8.746 9.962 762 HB2 TRP 95 1HB TRP 95 2.142 -10.459 8.389 763 HB3 TRP 95 2HB TRP 95 0.661 -10.116 9.278 764 HD1 TRP 95 HD1 TRP 95 2.344 -9.277 5.912 765 HE1 TRP 95 HE1 TRP 95 0.491 -8.826 4.175 766 HE3 TRP 95 HE3 TRP 95 -1.762 -9.568 8.924 767 HZ2 TRP 95 HZ2 TRP 95 -2.362 -8.612 4.082 768 HZ3 TRP 95 HZ3 TRP 95 -4.034 -9.240 7.990 769 HH2 TRP 95 HH2 TRP 95 -4.338 -8.762 5.577 770 H GLY 96 H GLY 96 4.249 -9.180 8.194 771 HA2 GLY 96 1HA GLY 96 4.850 -8.335 5.860 772 HA3 GLY 96 2HA GLY 96 4.598 -6.740 6.550 773 H ALA 97 H ALA 97 6.419 -9.739 7.199 774 HA ALA 97 HA ALA 97 8.562 -10.070 7.990 775 HB1 ALA 97 3HB ALA 97 9.121 -7.283 6.987 776 HB2 ALA 97 1HB ALA 97 9.007 -8.678 5.915 777 HB3 ALA 97 2HB ALA 97 10.256 -8.622 7.159 778 H GLU 98 H GLU 98 7.140 -9.655 10.049 779 HA GLU 98 HA GLU 98 7.529 -7.295 11.527 780 HB2 GLU 98 1HB GLU 98 6.848 -10.096 12.355 781 HB3 GLU 98 2HB GLU 98 6.827 -8.724 13.465 782 HG2 GLU 98 1HG GLU 98 5.145 -7.599 12.095 783 HG3 GLU 98 2HG GLU 98 5.217 -8.895 10.902 784 H VAL 99 H VAL 99 9.300 -10.149 11.148 785 HA VAL 99 HA VAL 99 11.472 -9.143 12.904 786 HB VAL 99 HB VAL 99 12.081 -11.619 13.105 787 HG11 VAL 99 1HG1 VAL 99 10.527 -11.947 14.955 788 HG12 VAL 99 2HG1 VAL 99 9.425 -10.748 14.282 789 HG13 VAL 99 3HG1 VAL 99 10.998 -10.249 14.905 790 HG21 VAL 99 3HG2 VAL 99 9.215 -11.893 12.150 791 HG22 VAL 99 1HG2 VAL 99 10.232 -13.204 12.749 792 HG23 VAL 99 2HG2 VAL 99 10.638 -12.392 11.238 793 H LYS 100 H LYS 100 13.354 -8.800 11.935 794 HA LYS 100 HA LYS 100 13.726 -9.732 9.150 795 HB2 LYS 100 1HB LYS 100 14.927 -7.415 10.689 796 HB3 LYS 100 2HB LYS 100 15.300 -7.821 9.008 797 HG2 LYS 100 1HG LYS 100 12.946 -7.557 8.391 798 HG3 LYS 100 2HG LYS 100 12.530 -7.217 10.068 799 HD2 LYS 100 1HD LYS 100 13.957 -5.208 10.027 800 HD3 LYS 100 2HD LYS 100 14.364 -5.536 8.339 801 HE2 LYS 100 1HE LYS 100 12.020 -5.348 7.701 802 HE3 LYS 100 2HE LYS 100 11.551 -5.112 9.381 803 HZ1 LYS 100 3HZ LYS 100 11.838 -2.956 9.021 804 HZ2 LYS 100 1HZ LYS 100 12.554 -3.215 7.506 805 HZ3 LYS 100 2HZ LYS 100 13.509 -3.247 8.911 806 H HIS 101 H HIS 101 14.982 -9.914 12.375 807 HA HIS 101 HA HIS 101 17.067 -11.770 11.467 808 HB2 HIS 101 1HB HIS 101 18.684 -10.608 13.078 809 HB3 HIS 101 2HB HIS 101 18.361 -9.791 11.548 810 HD1 HIS 101 HD1 HIS 101 16.686 -7.745 11.624 811 HD2 HIS 101 HD2 HIS 101 17.821 -9.200 15.362 812 HE1 HIS 101 HE1 HIS 101 16.010 -5.983 13.313 813 HE2 HIS 101 HE2 HIS 101 16.692 -6.858 15.597 814 H HIS 102 H HIS 102 15.098 -12.931 12.482 815 HA HIS 102 HA HIS 102 15.813 -13.556 15.281 816 HB2 HIS 102 1HB HIS 102 13.773 -12.010 15.153 817 HB3 HIS 102 2HB HIS 102 12.941 -13.352 14.370 818 HD1 HIS 102 HD1 HIS 102 15.382 -13.519 17.283 819 HD2 HIS 102 HD2 HIS 102 11.378 -14.326 16.455 820 HE1 HIS 102 HE1 HIS 102 14.431 -14.612 19.358 821 HE2 HIS 102 HE2 HIS 102 11.991 -15.121 18.868 822 H HIS 103 H HIS 103 15.746 -15.723 15.735 823 HA HIS 103 HA HIS 103 15.099 -17.524 13.484 824 HB2 HIS 103 1HB HIS 103 16.716 -17.919 16.009 825 HB3 HIS 103 2HB HIS 103 16.352 -19.209 14.863 826 HD1 HIS 103 HD1 HIS 103 18.306 -16.002 15.193 827 HD2 HIS 103 HD2 HIS 103 17.815 -19.100 12.444 828 HE1 HIS 103 HE1 HIS 103 20.112 -15.700 13.441 829 HE2 HIS 103 HE2 HIS 103 19.824 -17.579 11.758 830 H HIS 104 H HIS 104 12.994 -18.086 13.553 831 HA HIS 104 HA HIS 104 11.836 -18.960 16.144 832 HB2 HIS 104 1HB HIS 104 10.694 -17.041 15.032 833 HB3 HIS 104 2HB HIS 104 10.385 -18.074 13.636 834 HD1 HIS 104 HD1 HIS 104 9.624 -17.905 17.358 835 HD2 HIS 104 HD2 HIS 104 8.150 -19.713 13.904 836 HE1 HIS 104 HE1 HIS 104 7.471 -19.063 18.019 837 HE2 HIS 104 HE2 HIS 104 6.551 -20.155 15.921 838 H HIS 105 H HIS 105 13.137 -20.034 13.291 839 HA HIS 105 HA HIS 105 11.391 -22.210 12.654 840 HB2 HIS 105 1HB HIS 105 14.300 -21.704 11.980 841 HB3 HIS 105 2HB HIS 105 13.328 -23.011 11.301 842 HD1 HIS 105 HD1 HIS 105 11.339 -22.337 9.727 843 HD2 HIS 105 HD2 HIS 105 13.760 -19.149 10.889 844 HE1 HIS 105 HE1 HIS 105 10.755 -20.400 8.202 845 HE2 HIS 105 HE2 HIS 105 12.205 -18.444 8.916 846 H HIS 106 H HIS 106 12.156 -24.507 12.749 847 HA HIS 106 HA HIS 106 13.695 -25.096 15.216 848 HB2 HIS 106 1HB HIS 106 12.065 -26.961 15.633 849 HB3 HIS 106 2HB HIS 106 11.379 -25.346 15.826 850 HD1 HIS 106 HD1 HIS 106 11.943 -26.340 12.326 851 HD2 HIS 106 HD2 HIS 106 8.834 -26.626 15.091 852 HE1 HIS 106 HE1 HIS 106 9.852 -26.885 11.001 853 HE2 HIS 106 HE2 HIS 106 7.947 -27.056 12.673 Start of MODEL 2 1 H1 MET 1 1H MET 1 11.658 12.713 2.601 2 H2 MET 1 2H MET 1 10.191 12.651 1.745 3 H3 MET 1 3H MET 1 10.948 14.144 2.030 4 HA MET 1 HA MET 1 11.276 13.442 -0.254 5 HB2 MET 1 1HB MET 1 13.710 13.408 1.551 6 HB3 MET 1 2HB MET 1 13.795 13.527 -0.208 7 HG2 MET 1 1HG MET 1 12.468 15.584 -0.163 8 HG3 MET 1 2HG MET 1 12.314 15.466 1.591 9 HE1 MET 1 3HE MET 1 13.040 17.654 1.993 10 HE2 MET 1 1HE MET 1 13.518 18.206 0.383 11 HE3 MET 1 2HE MET 1 14.632 18.361 1.739 12 H LYS 2 H LYS 2 11.664 11.819 -1.687 13 HA LYS 2 HA LYS 2 11.833 9.632 -2.440 14 HB2 LYS 2 1HB LYS 2 14.067 9.902 -0.432 15 HB3 LYS 2 2HB LYS 2 13.841 8.414 -1.345 16 HG2 LYS 2 1HG LYS 2 14.069 9.627 -3.451 17 HG3 LYS 2 2HG LYS 2 14.174 11.161 -2.584 18 HD2 LYS 2 1HD LYS 2 16.206 10.295 -1.405 19 HD3 LYS 2 2HD LYS 2 16.134 8.857 -2.419 20 HE2 LYS 2 1HE LYS 2 16.300 11.664 -3.541 21 HE3 LYS 2 2HE LYS 2 17.712 10.651 -3.244 22 HZ1 LYS 2 3HZ LYS 2 16.120 8.978 -4.596 23 HZ2 LYS 2 1HZ LYS 2 17.322 9.934 -5.314 24 HZ3 LYS 2 2HZ LYS 2 15.708 10.458 -5.317 25 HA PRO 3 HA PRO 3 9.831 8.115 1.616 26 HB2 PRO 3 1HB PRO 3 7.197 8.251 0.870 27 HB3 PRO 3 2HB PRO 3 8.055 9.604 1.638 28 HG2 PRO 3 1HG PRO 3 7.482 9.130 -1.255 29 HG3 PRO 3 2HG PRO 3 7.328 10.625 -0.313 30 HD2 PRO 3 1HD PRO 3 9.473 10.160 -1.920 31 HD3 PRO 3 2HD PRO 3 9.617 11.074 -0.399 32 H LEU 4 H LEU 4 8.904 7.503 -1.767 33 HA LEU 4 HA LEU 4 8.480 4.641 -1.123 34 HB2 LEU 4 1HB LEU 4 7.523 6.305 -3.476 35 HB3 LEU 4 2HB LEU 4 7.168 4.585 -3.208 36 HG LEU 4 HG LEU 4 6.378 6.883 -1.387 37 HD11 LEU 4 1HD1 LEU 4 5.174 6.233 -3.728 38 HD12 LEU 4 2HD1 LEU 4 4.292 6.833 -2.325 39 HD13 LEU 4 3HD1 LEU 4 4.345 5.108 -2.659 40 HD21 LEU 4 3HD2 LEU 4 6.235 3.905 -1.091 41 HD22 LEU 4 1HD2 LEU 4 4.923 4.869 -0.423 42 HD23 LEU 4 2HD2 LEU 4 6.577 5.124 0.130 43 H SER 5 H SER 5 10.675 6.730 -2.559 44 HA SER 5 HA SER 5 11.561 5.265 -4.793 45 HB2 SER 5 1HB SER 5 12.092 7.679 -4.075 46 HB3 SER 5 2HB SER 5 13.356 6.960 -3.087 47 HG SER 5 HG SER 5 14.464 6.515 -4.828 48 H ASN 6 H ASN 6 12.021 4.665 -1.433 49 HA ASN 6 HA ASN 6 14.337 2.906 -1.944 50 HB2 ASN 6 1HB ASN 6 13.116 3.974 0.604 51 HB3 ASN 6 2HB ASN 6 14.404 2.772 0.574 52 HD21 ASN 6 2HD2 ASN 6 15.680 4.065 -1.866 53 HD22 ASN 6 1HD2 ASN 6 16.430 5.462 -1.265 54 H MET 7 H MET 7 11.245 2.481 -2.390 55 HA MET 7 HA MET 7 11.333 -0.331 -1.575 56 HB2 MET 7 1HB MET 7 8.976 -0.065 -0.618 57 HB3 MET 7 2HB MET 7 10.306 0.508 0.378 58 HG2 MET 7 1HG MET 7 9.892 2.778 -0.204 59 HG3 MET 7 2HG MET 7 8.816 2.315 -1.519 60 HE1 MET 7 3HE MET 7 5.508 1.869 -0.231 61 HE2 MET 7 1HE MET 7 6.400 0.356 -0.357 62 HE3 MET 7 2HE MET 7 6.688 1.646 -1.510 63 H LYS 8 H LYS 8 9.745 -1.633 -2.570 64 HA LYS 8 HA LYS 8 8.672 -0.537 -5.094 65 HB2 LYS 8 1HB LYS 8 9.552 -3.248 -4.153 66 HB3 LYS 8 2HB LYS 8 8.280 -3.178 -5.371 67 HG2 LYS 8 1HG LYS 8 10.482 -3.347 -6.442 68 HG3 LYS 8 2HG LYS 8 9.750 -1.784 -6.805 69 HD2 LYS 8 1HD LYS 8 11.086 -0.742 -5.012 70 HD3 LYS 8 2HD LYS 8 11.811 -2.305 -4.641 71 HE2 LYS 8 1HE LYS 8 11.962 -1.081 -7.400 72 HE3 LYS 8 2HE LYS 8 13.172 -0.752 -6.160 73 HZ1 LYS 8 3HZ LYS 8 14.037 -2.566 -7.265 74 HZ2 LYS 8 1HZ LYS 8 12.527 -3.309 -7.479 75 HZ3 LYS 8 2HZ LYS 8 13.257 -3.292 -5.945 76 H ILE 9 H ILE 9 6.468 -0.894 -5.612 77 HA ILE 9 HA ILE 9 4.717 -1.427 -3.262 78 HB ILE 9 HB ILE 9 4.317 0.420 -5.594 79 HG12 ILE 9 1HG1 ILE 9 4.733 1.053 -2.664 80 HG13 ILE 9 2HG1 ILE 9 5.995 1.151 -3.887 81 HG21 ILE 9 1HG2 ILE 9 2.172 -0.475 -4.849 82 HG22 ILE 9 2HG2 ILE 9 2.323 1.186 -4.287 83 HG23 ILE 9 3HG2 ILE 9 2.598 -0.150 -3.170 84 HD11 ILE 9 3HD1 ILE 9 5.262 3.346 -3.871 85 HD12 ILE 9 1HD1 ILE 9 3.599 2.902 -3.500 86 HD13 ILE 9 2HD1 ILE 9 4.226 2.692 -5.137 87 H LEU 10 H LEU 10 2.972 -2.713 -3.481 88 HA LEU 10 HA LEU 10 2.581 -4.108 -6.074 89 HB2 LEU 10 1HB LEU 10 3.448 -5.516 -4.230 90 HB3 LEU 10 2HB LEU 10 2.012 -5.132 -3.303 91 HG LEU 10 HG LEU 10 1.430 -6.128 -6.042 92 HD11 LEU 10 1HD1 LEU 10 1.846 -8.519 -5.289 93 HD12 LEU 10 2HD1 LEU 10 2.866 -7.856 -4.014 94 HD13 LEU 10 3HD1 LEU 10 3.287 -7.593 -5.706 95 HD21 LEU 10 3HD2 LEU 10 -0.340 -7.272 -4.935 96 HD22 LEU 10 1HD2 LEU 10 -0.185 -5.751 -4.054 97 HD23 LEU 10 2HD2 LEU 10 0.493 -7.231 -3.383 98 H THR 11 H THR 11 0.630 -4.102 -6.962 99 HA THR 11 HA THR 11 -1.645 -2.919 -5.454 100 HB THR 11 HB THR 11 -2.664 -2.485 -7.636 101 HG1 THR 11 HG1 THR 11 -1.804 -4.207 -8.789 102 HG21 THR 11 3HG2 THR 11 0.195 -1.583 -7.287 103 HG22 THR 11 1HG2 THR 11 -1.266 -0.734 -6.793 104 HG23 THR 11 2HG2 THR 11 -0.880 -0.895 -8.506 105 H LEU 12 H LEU 12 -3.032 -4.363 -4.665 106 HA LEU 12 HA LEU 12 -2.951 -7.104 -5.271 107 HB2 LEU 12 1HB LEU 12 -3.815 -6.203 -3.143 108 HB3 LEU 12 2HB LEU 12 -5.206 -5.536 -3.995 109 HG LEU 12 HG LEU 12 -5.874 -7.820 -4.697 110 HD11 LEU 12 1HD1 LEU 12 -3.292 -8.519 -3.328 111 HD12 LEU 12 2HD1 LEU 12 -3.953 -9.138 -4.841 112 HD13 LEU 12 3HD1 LEU 12 -4.613 -9.687 -3.305 113 HD21 LEU 12 3HD2 LEU 12 -6.337 -8.709 -2.342 114 HD22 LEU 12 1HD2 LEU 12 -6.895 -7.067 -2.674 115 HD23 LEU 12 2HD2 LEU 12 -5.416 -7.326 -1.747 116 H GLY 13 H GLY 13 -5.117 -4.526 -6.392 117 HA2 GLY 13 1HA GLY 13 -5.616 -5.656 -8.903 118 HA3 GLY 13 2HA GLY 13 -6.906 -6.178 -7.826 119 H LYS 14 H LYS 14 -8.375 -4.683 -7.014 120 HA LYS 14 HA LYS 14 -8.958 -2.469 -8.691 121 HB2 LYS 14 1HB LYS 14 -10.672 -3.774 -7.488 122 HB3 LYS 14 2HB LYS 14 -10.080 -3.127 -5.958 123 HG2 LYS 14 1HG LYS 14 -10.609 -0.845 -6.701 124 HG3 LYS 14 2HG LYS 14 -11.148 -1.465 -8.263 125 HD2 LYS 14 1HD LYS 14 -12.907 -2.787 -7.118 126 HD3 LYS 14 2HD LYS 14 -12.371 -2.126 -5.571 127 HE2 LYS 14 1HE LYS 14 -12.903 0.133 -6.289 128 HE3 LYS 14 2HE LYS 14 -13.331 -0.441 -7.901 129 HZ1 LYS 14 3HZ LYS 14 -15.373 -0.366 -6.917 130 HZ2 LYS 14 1HZ LYS 14 -14.788 -0.737 -5.369 131 HZ3 LYS 14 2HZ LYS 14 -14.935 -1.963 -6.538 132 H LEU 15 H LEU 15 -8.487 -0.383 -8.554 133 HA LEU 15 HA LEU 15 -6.989 0.603 -6.187 134 HB2 LEU 15 1HB LEU 15 -5.628 0.336 -8.262 135 HB3 LEU 15 2HB LEU 15 -6.705 1.468 -9.072 136 HG LEU 15 HG LEU 15 -6.136 3.180 -7.343 137 HD11 LEU 15 1HD1 LEU 15 -3.854 2.568 -6.145 138 HD12 LEU 15 2HD1 LEU 15 -4.435 0.912 -6.331 139 HD13 LEU 15 3HD1 LEU 15 -5.388 2.088 -5.424 140 HD21 LEU 15 3HD2 LEU 15 -4.008 1.931 -9.086 141 HD22 LEU 15 1HD2 LEU 15 -3.688 3.390 -8.155 142 HD23 LEU 15 2HD2 LEU 15 -4.956 3.390 -9.375 143 H SER 16 H SER 16 -7.725 2.401 -5.219 144 HA SER 16 HA SER 16 -10.302 3.399 -5.708 145 HB2 SER 16 1HB SER 16 -9.293 3.544 -3.519 146 HB3 SER 16 2HB SER 16 -8.008 4.576 -4.138 147 HG SER 16 HG SER 16 -10.700 5.135 -3.641 148 H GLN 17 H GLN 17 -7.514 5.605 -5.689 149 HA GLN 17 HA GLN 17 -8.765 7.517 -7.296 150 HB2 GLN 17 1HB GLN 17 -6.533 8.544 -7.532 151 HB3 GLN 17 2HB GLN 17 -6.892 8.094 -5.864 152 HG2 GLN 17 1HG GLN 17 -5.684 5.892 -6.388 153 HG3 GLN 17 2HG GLN 17 -5.095 6.704 -7.830 154 HE21 GLN 17 2HE2 GLN 17 -4.917 6.726 -4.275 155 HE22 GLN 17 1HE2 GLN 17 -3.580 7.767 -4.181 156 H ASN 18 H ASN 18 -7.476 8.382 -9.324 157 HA ASN 18 HA ASN 18 -8.115 6.577 -11.423 158 HB2 ASN 18 1HB ASN 18 -6.427 9.037 -11.804 159 HB3 ASN 18 2HB ASN 18 -7.653 8.356 -12.873 160 HD21 ASN 18 2HD2 ASN 18 -7.098 10.422 -10.124 161 HD22 ASN 18 1HD2 ASN 18 -8.697 10.970 -9.958 162 H LYS 19 H LYS 19 -6.792 5.699 -12.989 163 HA LYS 19 HA LYS 19 -4.405 4.452 -12.122 164 HB2 LYS 19 1HB LYS 19 -5.532 3.299 -13.801 165 HB3 LYS 19 2HB LYS 19 -5.864 4.762 -14.720 166 HG2 LYS 19 1HG LYS 19 -3.541 4.918 -15.424 167 HG3 LYS 19 2HG LYS 19 -3.104 3.554 -14.393 168 HD2 LYS 19 1HD LYS 19 -4.523 2.085 -15.720 169 HD3 LYS 19 2HD LYS 19 -5.051 3.464 -16.696 170 HE2 LYS 19 1HE LYS 19 -2.842 3.828 -17.531 171 HE3 LYS 19 2HE LYS 19 -2.150 2.673 -16.397 172 HZ1 LYS 19 3HZ LYS 19 -2.330 1.406 -18.298 173 HZ2 LYS 19 1HZ LYS 19 -3.738 2.191 -18.830 174 HZ3 LYS 19 2HZ LYS 19 -3.823 1.064 -17.560 175 H ASP 20 H ASP 20 -4.927 7.195 -14.353 176 HA ASP 20 HA ASP 20 -2.214 7.544 -14.946 177 HB2 ASP 20 1HB ASP 20 -4.558 9.453 -14.992 178 HB3 ASP 20 2HB ASP 20 -2.955 9.893 -15.558 179 H GLU 21 H GLU 21 -4.252 8.939 -12.383 180 HA GLU 21 HA GLU 21 -2.265 10.722 -11.379 181 HB2 GLU 21 1HB GLU 21 -4.726 9.522 -10.092 182 HB3 GLU 21 2HB GLU 21 -3.741 10.783 -9.352 183 HG2 GLU 21 1HG GLU 21 -5.067 11.024 -12.067 184 HG3 GLU 21 2HG GLU 21 -5.742 11.682 -10.577 185 H ALA 22 H ALA 22 -3.184 7.400 -10.585 186 HA ALA 22 HA ALA 22 -1.630 7.151 -8.237 187 HB1 ALA 22 3HB ALA 22 -2.497 5.046 -10.216 188 HB2 ALA 22 1HB ALA 22 -3.387 5.578 -8.792 189 HB3 ALA 22 2HB ALA 22 -1.851 4.730 -8.606 190 H LYS 23 H LYS 23 -0.942 5.932 -11.510 191 HA LYS 23 HA LYS 23 1.678 5.069 -10.944 192 HB2 LYS 23 1HB LYS 23 0.148 5.617 -13.475 193 HB3 LYS 23 2HB LYS 23 1.870 5.264 -13.554 194 HG2 LYS 23 1HG LYS 23 0.676 3.176 -13.817 195 HG3 LYS 23 2HG LYS 23 1.439 3.164 -12.232 196 HD2 LYS 23 1HD LYS 23 -0.687 3.792 -11.181 197 HD3 LYS 23 2HD LYS 23 -1.457 3.895 -12.761 198 HE2 LYS 23 1HE LYS 23 -1.024 1.510 -13.147 199 HE3 LYS 23 2HE LYS 23 -0.225 1.395 -11.580 200 HZ1 LYS 23 3HZ LYS 23 -2.180 1.175 -10.586 201 HZ2 LYS 23 1HZ LYS 23 -2.922 1.114 -12.111 202 HZ3 LYS 23 2HZ LYS 23 -2.769 2.599 -11.302 203 H ALA 24 H ALA 24 0.466 8.132 -12.259 204 HA ALA 24 HA ALA 24 3.000 9.229 -12.855 205 HB1 ALA 24 3HB ALA 24 1.788 11.427 -12.719 206 HB2 ALA 24 1HB ALA 24 0.362 10.541 -12.182 207 HB3 ALA 24 2HB ALA 24 1.031 10.246 -13.787 208 H MET 25 H MET 25 0.950 9.551 -9.930 209 HA MET 25 HA MET 25 2.829 11.229 -8.627 210 HB2 MET 25 1HB MET 25 1.325 11.341 -6.889 211 HB3 MET 25 2HB MET 25 0.254 10.811 -8.175 212 HG2 MET 25 1HG MET 25 -0.277 9.362 -6.400 213 HG3 MET 25 2HG MET 25 0.820 8.415 -7.390 214 HE1 MET 25 3HE MET 25 0.316 10.790 -4.618 215 HE2 MET 25 1HE MET 25 1.978 11.398 -4.684 216 HE3 MET 25 2HE MET 25 1.463 10.372 -3.350 217 H ILE 26 H ILE 26 2.313 7.710 -8.516 218 HA ILE 26 HA ILE 26 4.077 7.173 -6.384 219 HB ILE 26 HB ILE 26 3.124 5.531 -8.730 220 HG12 ILE 26 1HG1 ILE 26 2.509 5.228 -5.787 221 HG13 ILE 26 2HG1 ILE 26 1.603 6.351 -6.798 222 HG21 ILE 26 1HG2 ILE 26 3.943 3.575 -7.308 223 HG22 ILE 26 2HG2 ILE 26 4.903 4.744 -6.409 224 HG23 ILE 26 3HG2 ILE 26 5.202 4.497 -8.129 225 HD11 ILE 26 3HD1 ILE 26 0.478 4.176 -6.667 226 HD12 ILE 26 1HD1 ILE 26 1.918 3.388 -7.310 227 HD13 ILE 26 2HD1 ILE 26 1.007 4.516 -8.313 228 H GLU 27 H GLU 27 4.695 7.320 -9.897 229 HA GLU 27 HA GLU 27 7.452 6.602 -9.646 230 HB2 GLU 27 1HB GLU 27 5.870 7.898 -11.868 231 HB3 GLU 27 2HB GLU 27 7.580 7.475 -12.013 232 HG2 GLU 27 1HG GLU 27 7.070 5.130 -11.491 233 HG3 GLU 27 2HG GLU 27 5.377 5.539 -11.240 234 H LYS 28 H LYS 28 5.703 9.612 -9.415 235 HA LYS 28 HA LYS 28 7.839 11.413 -9.846 236 HB2 LYS 28 1HB LYS 28 5.310 11.892 -9.663 237 HB3 LYS 28 2HB LYS 28 5.577 11.913 -7.921 238 HG2 LYS 28 1HG LYS 28 7.193 13.703 -8.119 239 HG3 LYS 28 2HG LYS 28 7.143 13.619 -9.876 240 HD2 LYS 28 1HD LYS 28 5.776 15.493 -9.163 241 HD3 LYS 28 2HD LYS 28 4.710 14.234 -9.781 242 HE2 LYS 28 1HE LYS 28 4.036 13.581 -7.604 243 HE3 LYS 28 2HE LYS 28 5.373 14.439 -6.838 244 HZ1 LYS 28 3HZ LYS 28 3.330 15.872 -8.419 245 HZ2 LYS 28 1HZ LYS 28 4.365 16.481 -7.219 246 HZ3 LYS 28 2HZ LYS 28 3.065 15.478 -6.788 247 H LEU 29 H LEU 29 6.622 9.896 -6.882 248 HA LEU 29 HA LEU 29 8.421 11.147 -5.066 249 HB2 LEU 29 1HB LEU 29 7.243 8.361 -4.849 250 HB3 LEU 29 2HB LEU 29 7.805 9.378 -3.528 251 HG LEU 29 HG LEU 29 5.538 10.066 -5.383 252 HD11 LEU 29 1HD1 LEU 29 5.596 8.773 -2.673 253 HD12 LEU 29 2HD1 LEU 29 4.635 8.357 -4.094 254 HD13 LEU 29 3HD1 LEU 29 4.222 9.772 -3.146 255 HD21 LEU 29 3HD2 LEU 29 6.837 11.426 -3.041 256 HD22 LEU 29 1HD2 LEU 29 5.132 11.716 -3.384 257 HD23 LEU 29 2HD2 LEU 29 6.350 12.110 -4.592 258 H GLY 30 H GLY 30 8.452 8.294 -7.012 259 HA2 GLY 30 1HA GLY 30 10.655 7.620 -7.978 260 HA3 GLY 30 2HA GLY 30 11.268 7.684 -6.321 261 H GLY 31 H GLY 31 8.141 6.875 -6.034 262 HA2 GLY 31 1HA GLY 31 8.624 4.204 -5.246 263 HA3 GLY 31 2HA GLY 31 7.037 4.922 -5.526 264 H LYS 32 H LYS 32 7.949 2.245 -6.265 265 HA LYS 32 HA LYS 32 7.429 2.374 -9.151 266 HB2 LYS 32 1HB LYS 32 9.749 1.098 -7.769 267 HB3 LYS 32 2HB LYS 32 9.057 0.220 -9.132 268 HG2 LYS 32 1HG LYS 32 9.728 3.157 -9.369 269 HG3 LYS 32 2HG LYS 32 10.966 1.922 -9.608 270 HD2 LYS 32 1HD LYS 32 9.649 0.874 -11.378 271 HD3 LYS 32 2HD LYS 32 8.333 2.011 -11.131 272 HE2 LYS 32 1HE LYS 32 9.801 3.867 -11.744 273 HE3 LYS 32 2HE LYS 32 11.139 2.744 -11.991 274 HZ1 LYS 32 3HZ LYS 32 10.223 1.921 -13.883 275 HZ2 LYS 32 1HZ LYS 32 9.609 3.499 -13.967 276 HZ3 LYS 32 2HZ LYS 32 8.626 2.233 -13.400 277 H LEU 33 H LEU 33 6.507 0.561 -10.093 278 HA LEU 33 HA LEU 33 5.025 -1.187 -8.184 279 HB2 LEU 33 1HB LEU 33 4.157 -0.099 -10.875 280 HB3 LEU 33 2HB LEU 33 3.219 -1.205 -9.878 281 HG LEU 33 HG LEU 33 4.151 1.425 -8.715 282 HD11 LEU 33 1HD1 LEU 33 1.825 2.281 -9.446 283 HD12 LEU 33 2HD1 LEU 33 1.843 0.957 -10.610 284 HD13 LEU 33 3HD1 LEU 33 3.077 2.212 -10.685 285 HD21 LEU 33 3HD2 LEU 33 1.511 0.039 -8.256 286 HD22 LEU 33 1HD2 LEU 33 2.416 1.074 -7.155 287 HD23 LEU 33 2HD2 LEU 33 2.955 -0.574 -7.462 288 H THR 34 H THR 34 5.831 -3.208 -8.308 289 HA THR 34 HA THR 34 5.745 -4.709 -10.713 290 HB THR 34 HB THR 34 8.582 -4.229 -9.779 291 HG1 THR 34 HG1 THR 34 8.371 -2.381 -10.737 292 HG21 THR 34 3HG2 THR 34 8.311 -6.299 -10.969 293 HG22 THR 34 1HG2 THR 34 9.036 -5.148 -12.087 294 HG23 THR 34 2HG2 THR 34 7.320 -5.522 -12.205 295 H GLY 35 H GLY 35 6.278 -6.927 -10.404 296 HA2 GLY 35 1HA GLY 35 7.138 -8.742 -9.104 297 HA3 GLY 35 2HA GLY 35 6.977 -7.756 -7.664 298 H SER 36 H SER 36 5.998 -10.470 -8.323 299 HA SER 36 HA SER 36 3.115 -10.269 -8.478 300 HB2 SER 36 1HB SER 36 4.976 -12.608 -8.038 301 HB3 SER 36 2HB SER 36 3.224 -12.749 -8.155 302 HG SER 36 HG SER 36 5.119 -12.070 -10.104 303 H ALA 37 H ALA 37 5.522 -11.084 -5.973 304 HA ALA 37 HA ALA 37 3.857 -10.089 -3.896 305 HB1 ALA 37 3HB ALA 37 4.072 -12.816 -3.054 306 HB2 ALA 37 1HB ALA 37 3.379 -12.816 -4.673 307 HB3 ALA 37 2HB ALA 37 2.598 -11.906 -3.384 308 H ASN 38 H ASN 38 4.833 -10.093 -1.863 309 HA ASN 38 HA ASN 38 6.555 -9.803 -0.436 310 HB2 ASN 38 1HB ASN 38 6.424 -12.307 -0.540 311 HB3 ASN 38 2HB ASN 38 7.786 -12.245 -1.664 312 HD21 ASN 38 2HD2 ASN 38 6.940 -10.573 1.416 313 HD22 ASN 38 1HD2 ASN 38 8.432 -10.855 2.172 314 H LYS 39 H LYS 39 7.002 -9.365 -3.661 315 HA LYS 39 HA LYS 39 9.855 -8.715 -3.504 316 HB2 LYS 39 1HB LYS 39 7.841 -8.563 -5.723 317 HB3 LYS 39 2HB LYS 39 9.495 -7.976 -5.884 318 HG2 LYS 39 1HG LYS 39 10.323 -10.237 -5.268 319 HG3 LYS 39 2HG LYS 39 8.654 -10.811 -5.194 320 HD2 LYS 39 1HD LYS 39 8.335 -10.160 -7.551 321 HD3 LYS 39 2HD LYS 39 10.012 -9.625 -7.624 322 HE2 LYS 39 1HE LYS 39 10.763 -11.919 -7.077 323 HE3 LYS 39 2HE LYS 39 9.082 -12.451 -7.042 324 HZ1 LYS 39 3HZ LYS 39 8.874 -12.290 -9.281 325 HZ2 LYS 39 1HZ LYS 39 10.534 -12.639 -9.212 326 HZ3 LYS 39 2HZ LYS 39 10.012 -11.036 -9.424 327 H ALA 40 H ALA 40 6.876 -7.303 -2.862 328 HA ALA 40 HA ALA 40 7.835 -4.528 -3.258 329 HB1 ALA 40 3HB ALA 40 5.095 -5.642 -2.663 330 HB2 ALA 40 1HB ALA 40 5.664 -5.023 -4.215 331 HB3 ALA 40 2HB ALA 40 5.467 -3.926 -2.847 332 H SER 41 H SER 41 6.841 -3.013 -1.406 333 HA SER 41 HA SER 41 7.633 -4.289 1.185 334 HB2 SER 41 1HB SER 41 8.961 -2.296 0.265 335 HB3 SER 41 2HB SER 41 7.539 -1.337 0.634 336 HG SER 41 HG SER 41 9.195 -1.525 2.324 337 H LEU 42 H LEU 42 5.500 -1.771 -0.144 338 HA LEU 42 HA LEU 42 3.461 -2.472 1.907 339 HB2 LEU 42 1HB LEU 42 4.343 0.148 0.740 340 HB3 LEU 42 2HB LEU 42 2.662 -0.029 1.216 341 HG LEU 42 HG LEU 42 3.306 -0.571 3.492 342 HD11 LEU 42 1HD1 LEU 42 5.863 -0.297 4.017 343 HD12 LEU 42 2HD1 LEU 42 6.073 -0.672 2.307 344 HD13 LEU 42 3HD1 LEU 42 5.278 -1.828 3.372 345 HD21 LEU 42 3HD2 LEU 42 3.243 1.841 2.725 346 HD22 LEU 42 1HD2 LEU 42 4.997 1.769 2.571 347 HD23 LEU 42 2HD2 LEU 42 4.241 1.557 4.148 348 H CYS 43 H CYS 43 1.785 -3.470 1.079 349 HA CYS 43 HA CYS 43 1.219 -3.425 -1.788 350 HB2 CYS 43 1HB CYS 43 1.034 -5.587 -0.805 351 HB3 CYS 43 2HB CYS 43 0.094 -4.968 0.546 352 HG CYS 43 HG CYS 43 -1.520 -4.331 -1.823 353 H ILE 44 H ILE 44 -0.521 -2.407 -2.729 354 HA ILE 44 HA ILE 44 -1.870 -0.425 -1.053 355 HB ILE 44 HB ILE 44 -1.964 -0.888 -4.045 356 HG12 ILE 44 1HG1 ILE 44 0.263 -0.210 -3.252 357 HG13 ILE 44 2HG1 ILE 44 -0.491 1.106 -4.140 358 HG21 ILE 44 1HG2 ILE 44 -3.112 1.262 -2.257 359 HG22 ILE 44 2HG2 ILE 44 -3.970 0.225 -3.397 360 HG23 ILE 44 3HG2 ILE 44 -2.896 1.488 -3.993 361 HD11 ILE 44 3HD1 ILE 44 0.141 0.891 -1.231 362 HD12 ILE 44 1HD1 ILE 44 -1.322 1.774 -1.659 363 HD13 ILE 44 2HD1 ILE 44 0.234 2.292 -2.294 364 H SER 45 H SER 45 -3.602 -1.045 -0.027 365 HA SER 45 HA SER 45 -5.906 -2.028 -1.420 366 HB2 SER 45 1HB SER 45 -4.879 -4.169 -1.253 367 HB3 SER 45 2HB SER 45 -4.404 -3.892 0.412 368 HG SER 45 HG SER 45 -6.599 -3.907 0.973 369 H THR 46 H THR 46 -7.648 -1.296 -0.416 370 HA THR 46 HA THR 46 -7.341 0.106 2.105 371 HB THR 46 HB THR 46 -9.479 1.027 1.681 372 HG1 THR 46 HG1 THR 46 -10.795 -0.565 1.150 373 HG21 THR 46 3HG2 THR 46 -7.690 1.781 0.157 374 HG22 THR 46 1HG2 THR 46 -9.270 1.848 -0.623 375 HG23 THR 46 2HG2 THR 46 -8.152 0.534 -0.999 376 H LYS 47 H LYS 47 -9.092 -0.158 3.782 377 HA LYS 47 HA LYS 47 -8.989 -2.751 4.838 378 HB2 LYS 47 1HB LYS 47 -9.496 -0.615 6.110 379 HB3 LYS 47 2HB LYS 47 -11.118 -0.690 5.437 380 HG2 LYS 47 1HG LYS 47 -11.427 -1.778 7.467 381 HG3 LYS 47 2HG LYS 47 -11.120 -3.139 6.396 382 HD2 LYS 47 1HD LYS 47 -9.659 -3.646 8.126 383 HD3 LYS 47 2HD LYS 47 -8.584 -2.696 7.106 384 HE2 LYS 47 1HE LYS 47 -8.258 -1.646 9.167 385 HE3 LYS 47 2HE LYS 47 -9.580 -0.670 8.530 386 HZ1 LYS 47 3HZ LYS 47 -10.884 -1.350 10.162 387 HZ2 LYS 47 1HZ LYS 47 -9.571 -2.167 10.862 388 HZ3 LYS 47 2HZ LYS 47 -10.604 -2.982 9.787 389 H LYS 48 H LYS 48 -11.446 -1.128 2.875 390 HA LYS 48 HA LYS 48 -13.483 -3.035 3.083 391 HB2 LYS 48 1HB LYS 48 -13.687 -0.776 2.024 392 HB3 LYS 48 2HB LYS 48 -12.754 -1.374 0.656 393 HG2 LYS 48 1HG LYS 48 -14.468 -3.065 0.196 394 HG3 LYS 48 2HG LYS 48 -15.398 -2.519 1.595 395 HD2 LYS 48 1HD LYS 48 -15.596 -0.276 0.592 396 HD3 LYS 48 2HD LYS 48 -14.676 -0.818 -0.810 397 HE2 LYS 48 1HE LYS 48 -17.042 -0.884 -1.340 398 HE3 LYS 48 2HE LYS 48 -16.442 -2.539 -1.244 399 HZ1 LYS 48 3HZ LYS 48 -17.456 -1.367 1.223 400 HZ2 LYS 48 1HZ LYS 48 -17.612 -2.948 0.630 401 HZ3 LYS 48 2HZ LYS 48 -18.606 -1.712 0.021 402 H GLU 49 H GLU 49 -10.726 -2.839 0.878 403 HA GLU 49 HA GLU 49 -11.315 -5.124 -0.670 404 HB2 GLU 49 1HB GLU 49 -8.678 -3.770 -0.081 405 HB3 GLU 49 2HB GLU 49 -8.901 -5.024 -1.299 406 HG2 GLU 49 1HG GLU 49 -10.367 -2.363 -1.250 407 HG3 GLU 49 2HG GLU 49 -8.986 -2.741 -2.280 408 H VAL 50 H VAL 50 -9.483 -4.626 2.313 409 HA VAL 50 HA VAL 50 -8.401 -7.252 2.466 410 HB VAL 50 HB VAL 50 -8.985 -5.242 4.646 411 HG11 VAL 50 1HG1 VAL 50 -8.790 -7.308 5.759 412 HG12 VAL 50 2HG1 VAL 50 -7.160 -6.638 5.830 413 HG13 VAL 50 3HG1 VAL 50 -7.549 -7.888 4.650 414 HG21 VAL 50 3HG2 VAL 50 -6.354 -5.971 3.335 415 HG22 VAL 50 1HG2 VAL 50 -6.667 -4.621 4.425 416 HG23 VAL 50 2HG2 VAL 50 -7.348 -4.617 2.797 417 H GLU 51 H GLU 51 -11.321 -5.747 3.780 418 HA GLU 51 HA GLU 51 -12.243 -7.841 5.381 419 HB2 GLU 51 1HB GLU 51 -13.765 -5.752 3.809 420 HB3 GLU 51 2HB GLU 51 -14.533 -6.867 4.944 421 HG2 GLU 51 1HG GLU 51 -12.221 -5.068 5.692 422 HG3 GLU 51 2HG GLU 51 -13.899 -4.617 5.944 423 H LYS 52 H LYS 52 -11.965 -7.651 2.004 424 HA LYS 52 HA LYS 52 -14.041 -9.369 1.141 425 HB2 LYS 52 1HB LYS 52 -11.257 -9.106 -0.026 426 HB3 LYS 52 2HB LYS 52 -12.719 -9.617 -0.859 427 HG2 LYS 52 1HG LYS 52 -12.450 -6.894 0.396 428 HG3 LYS 52 2HG LYS 52 -12.007 -7.217 -1.266 429 HD2 LYS 52 1HD LYS 52 -14.324 -8.015 -1.671 430 HD3 LYS 52 2HD LYS 52 -14.733 -7.582 -0.017 431 HE2 LYS 52 1HE LYS 52 -14.130 -5.253 -0.452 432 HE3 LYS 52 2HE LYS 52 -13.724 -5.664 -2.118 433 HZ1 LYS 52 3HZ LYS 52 -16.304 -5.291 -0.890 434 HZ2 LYS 52 1HZ LYS 52 -16.200 -6.683 -1.855 435 HZ3 LYS 52 2HZ LYS 52 -15.847 -5.160 -2.521 436 H MET 53 H MET 53 -10.724 -9.934 2.190 437 HA MET 53 HA MET 53 -9.571 -11.832 2.754 438 HB2 MET 53 1HB MET 53 -12.370 -12.560 3.634 439 HB3 MET 53 2HB MET 53 -10.960 -13.565 3.974 440 HG2 MET 53 1HG MET 53 -11.087 -10.627 4.698 441 HG3 MET 53 2HG MET 53 -11.579 -11.911 5.808 442 HE1 MET 53 3HE MET 53 -8.449 -10.000 4.269 443 HE2 MET 53 1HE MET 53 -7.677 -10.159 5.850 444 HE3 MET 53 2HE MET 53 -9.333 -9.579 5.736 445 H SER 54 H SER 54 -10.114 -11.647 0.084 446 HA SER 54 HA SER 54 -11.178 -14.190 -0.872 447 HB2 SER 54 1HB SER 54 -11.628 -12.166 -2.172 448 HB3 SER 54 2HB SER 54 -9.901 -11.876 -2.354 449 HG SER 54 HG SER 54 -11.244 -14.233 -3.187 450 H LYS 55 H LYS 55 -9.733 -15.148 -2.745 451 HA LYS 55 HA LYS 55 -7.489 -16.343 -1.524 452 HB2 LYS 55 1HB LYS 55 -8.349 -16.195 -4.419 453 HB3 LYS 55 2HB LYS 55 -6.986 -17.161 -3.855 454 HG2 LYS 55 1HG LYS 55 -8.463 -18.409 -2.348 455 HG3 LYS 55 2HG LYS 55 -9.839 -17.426 -2.851 456 HD2 LYS 55 1HD LYS 55 -9.569 -18.247 -5.169 457 HD3 LYS 55 2HD LYS 55 -8.190 -19.222 -4.659 458 HE2 LYS 55 1HE LYS 55 -9.640 -20.470 -3.103 459 HE3 LYS 55 2HE LYS 55 -11.022 -19.494 -3.604 460 HZ1 LYS 55 3HZ LYS 55 -10.361 -21.818 -4.725 461 HZ2 LYS 55 1HZ LYS 55 -9.532 -20.753 -5.751 462 HZ3 LYS 55 2HZ LYS 55 -11.210 -20.589 -5.537 463 H LYS 56 H LYS 56 -7.820 -13.619 -3.725 464 HA LYS 56 HA LYS 56 -5.118 -13.233 -4.382 465 HB2 LYS 56 1HB LYS 56 -7.294 -11.159 -4.052 466 HB3 LYS 56 2HB LYS 56 -5.785 -10.935 -4.931 467 HG2 LYS 56 1HG LYS 56 -7.946 -12.955 -5.622 468 HG3 LYS 56 2HG LYS 56 -7.657 -11.435 -6.458 469 HD2 LYS 56 1HD LYS 56 -5.269 -12.300 -6.880 470 HD3 LYS 56 2HD LYS 56 -5.882 -13.881 -6.393 471 HE2 LYS 56 1HE LYS 56 -6.233 -13.958 -8.692 472 HE3 LYS 56 2HE LYS 56 -7.794 -13.360 -8.137 473 HZ1 LYS 56 3HZ LYS 56 -7.012 -11.097 -8.568 474 HZ2 LYS 56 1HZ LYS 56 -6.970 -12.048 -9.971 475 HZ3 LYS 56 2HZ LYS 56 -5.533 -11.711 -9.132 476 H MET 57 H MET 57 -7.060 -12.057 -1.666 477 HA MET 57 HA MET 57 -5.081 -10.388 -0.527 478 HB2 MET 57 1HB MET 57 -7.746 -10.970 0.012 479 HB3 MET 57 2HB MET 57 -6.921 -11.660 1.403 480 HG2 MET 57 1HG MET 57 -6.747 -8.798 0.417 481 HG3 MET 57 2HG MET 57 -7.481 -9.369 1.910 482 HE1 MET 57 3HE MET 57 -4.788 -10.406 4.192 483 HE2 MET 57 1HE MET 57 -5.051 -11.630 2.945 484 HE3 MET 57 2HE MET 57 -6.401 -10.695 3.565 485 H GLU 58 H GLU 58 -5.843 -13.799 -0.125 486 HA GLU 58 HA GLU 58 -4.198 -14.351 2.080 487 HB2 GLU 58 1HB GLU 58 -5.015 -16.084 -0.264 488 HB3 GLU 58 2HB GLU 58 -4.167 -16.695 1.154 489 HG2 GLU 58 1HG GLU 58 -5.990 -15.915 2.603 490 HG3 GLU 58 2HG GLU 58 -6.829 -15.248 1.203 491 H GLU 59 H GLU 59 -3.438 -13.946 -1.357 492 HA GLU 59 HA GLU 59 -0.825 -15.075 -1.245 493 HB2 GLU 59 1HB GLU 59 -1.512 -12.817 -3.117 494 HB3 GLU 59 2HB GLU 59 -0.491 -14.228 -3.398 495 HG2 GLU 59 1HG GLU 59 -2.572 -15.652 -3.188 496 HG3 GLU 59 2HG GLU 59 -3.475 -14.159 -3.122 497 H VAL 60 H VAL 60 -2.051 -11.777 -0.835 498 HA VAL 60 HA VAL 60 0.442 -10.480 -0.504 499 HB VAL 60 HB VAL 60 -2.270 -9.861 0.693 500 HG11 VAL 60 1HG1 VAL 60 0.269 -8.220 0.519 501 HG12 VAL 60 2HG1 VAL 60 -0.614 -8.681 1.973 502 HG13 VAL 60 3HG1 VAL 60 -1.317 -7.524 0.845 503 HG21 VAL 60 3HG2 VAL 60 -2.423 -8.251 -1.166 504 HG22 VAL 60 1HG2 VAL 60 -2.244 -9.903 -1.758 505 HG23 VAL 60 2HG2 VAL 60 -0.863 -8.804 -1.780 506 H LYS 61 H LYS 61 -1.827 -11.950 1.705 507 HA LYS 61 HA LYS 61 -0.544 -11.471 4.151 508 HB2 LYS 61 1HB LYS 61 -2.881 -12.149 3.853 509 HB3 LYS 61 2HB LYS 61 -2.356 -13.717 3.257 510 HG2 LYS 61 1HG LYS 61 -1.282 -14.181 5.428 511 HG3 LYS 61 2HG LYS 61 -1.817 -12.606 6.024 512 HD2 LYS 61 1HD LYS 61 -4.173 -13.274 5.625 513 HD3 LYS 61 2HD LYS 61 -3.618 -14.857 5.074 514 HE2 LYS 61 1HE LYS 61 -2.567 -15.257 7.263 515 HE3 LYS 61 2HE LYS 61 -3.124 -13.676 7.798 516 HZ1 LYS 61 3HZ LYS 61 -5.423 -14.478 7.223 517 HZ2 LYS 61 1HZ LYS 61 -4.703 -15.190 8.583 518 HZ3 LYS 61 2HZ LYS 61 -4.758 -16.037 7.113 519 H ALA 62 H ALA 62 -0.398 -14.299 1.990 520 HA ALA 62 HA ALA 62 1.503 -15.705 3.638 521 HB1 ALA 62 3HB ALA 62 -0.042 -16.990 2.292 522 HB2 ALA 62 1HB ALA 62 1.584 -17.262 1.667 523 HB3 ALA 62 2HB ALA 62 0.488 -16.167 0.824 524 H ALA 63 H ALA 63 1.657 -13.200 1.406 525 HA ALA 63 HA ALA 63 4.339 -13.771 0.413 526 HB1 ALA 63 3HB ALA 63 4.065 -11.547 -0.708 527 HB2 ALA 63 1HB ALA 63 2.472 -11.428 0.031 528 HB3 ALA 63 2HB ALA 63 2.809 -12.707 -1.131 529 H ASN 64 H ASN 64 2.964 -12.531 3.164 530 HA ASN 64 HA ASN 64 3.735 -11.314 4.933 531 HB2 ASN 64 1HB ASN 64 6.280 -12.287 3.657 532 HB3 ASN 64 2HB ASN 64 6.316 -11.295 5.103 533 HD21 ASN 64 2HD2 ASN 64 3.951 -12.345 6.385 534 HD22 ASN 64 1HD2 ASN 64 4.245 -13.964 6.793 535 H VAL 65 H VAL 65 2.772 -9.645 3.115 536 HA VAL 65 HA VAL 65 4.741 -7.426 3.034 537 HB VAL 65 HB VAL 65 2.617 -8.201 1.015 538 HG11 VAL 65 1HG1 VAL 65 3.375 -6.167 -0.227 539 HG12 VAL 65 2HG1 VAL 65 4.314 -5.696 1.184 540 HG13 VAL 65 3HG1 VAL 65 2.557 -5.770 1.283 541 HG21 VAL 65 3HG2 VAL 65 4.783 -9.376 0.929 542 HG22 VAL 65 1HG2 VAL 65 5.610 -7.827 0.777 543 HG23 VAL 65 2HG2 VAL 65 4.514 -8.373 -0.498 544 H ARG 66 H ARG 66 4.102 -5.754 4.244 545 HA ARG 66 HA ARG 66 1.644 -5.757 5.642 546 HB2 ARG 66 1HB ARG 66 3.759 -4.510 6.317 547 HB3 ARG 66 2HB ARG 66 3.314 -3.288 5.124 548 HG2 ARG 66 1HG ARG 66 1.098 -3.044 6.255 549 HG3 ARG 66 2HG ARG 66 1.634 -4.183 7.489 550 HD2 ARG 66 1HD ARG 66 2.968 -1.539 6.847 551 HD3 ARG 66 2HD ARG 66 1.923 -1.844 8.224 552 HE ARG 66 HE ARG 66 4.683 -2.616 7.978 553 HH11 ARG 66 1HH2 ARG 66 1.611 -3.362 9.381 554 HH12 ARG 66 2HH2 ARG 66 2.280 -4.222 10.727 555 HH21 ARG 66 1HH1 ARG 66 5.567 -3.745 9.727 556 HH22 ARG 66 2HH1 ARG 66 4.529 -4.421 10.937 557 H VAL 67 H VAL 67 -0.196 -4.514 5.376 558 HA VAL 67 HA VAL 67 -0.657 -3.452 2.644 559 HB VAL 67 HB VAL 67 -2.485 -4.918 4.549 560 HG11 VAL 67 1HG1 VAL 67 -3.853 -3.126 3.782 561 HG12 VAL 67 2HG1 VAL 67 -4.224 -4.463 2.696 562 HG13 VAL 67 3HG1 VAL 67 -3.137 -3.172 2.177 563 HG21 VAL 67 3HG2 VAL 67 -2.751 -6.442 2.701 564 HG22 VAL 67 1HG2 VAL 67 -1.020 -6.179 2.911 565 HG23 VAL 67 2HG2 VAL 67 -1.893 -5.358 1.617 566 H VAL 68 H VAL 68 -1.227 -1.406 2.477 567 HA VAL 68 HA VAL 68 -2.326 0.027 4.826 568 HB VAL 68 HB VAL 68 -0.899 1.940 4.319 569 HG11 VAL 68 1HG1 VAL 68 -0.015 0.279 5.878 570 HG12 VAL 68 2HG1 VAL 68 1.300 0.939 4.911 571 HG13 VAL 68 3HG1 VAL 68 0.647 -0.656 4.542 572 HG21 VAL 68 3HG2 VAL 68 0.955 1.629 2.633 573 HG22 VAL 68 1HG2 VAL 68 -0.652 1.708 1.922 574 HG23 VAL 68 2HG2 VAL 68 0.154 0.150 2.107 575 H CYS 69 H CYS 69 -3.485 1.994 4.193 576 HA CYS 69 HA CYS 69 -5.052 1.546 1.820 577 HB2 CYS 69 1HB CYS 69 -6.278 2.466 3.591 578 HB3 CYS 69 2HB CYS 69 -5.033 3.643 3.982 579 HG CYS 69 HG CYS 69 -7.020 3.868 1.590 580 H GLU 70 H GLU 70 -5.191 2.978 0.028 581 HA GLU 70 HA GLU 70 -2.677 3.774 -0.970 582 HB2 GLU 70 1HB GLU 70 -4.621 3.065 -2.365 583 HB3 GLU 70 2HB GLU 70 -5.392 4.610 -2.002 584 HG2 GLU 70 1HG GLU 70 -3.519 5.816 -2.983 585 HG3 GLU 70 2HG GLU 70 -2.665 4.301 -3.278 586 H ASP 71 H ASP 71 -5.233 5.523 0.673 587 HA ASP 71 HA ASP 71 -4.637 8.164 0.149 588 HB2 ASP 71 1HB ASP 71 -6.402 7.180 1.752 589 HB3 ASP 71 2HB ASP 71 -5.120 7.172 2.962 590 H PHE 72 H PHE 72 -2.683 5.770 1.558 591 HA PHE 72 HA PHE 72 -0.948 7.201 3.230 592 HB2 PHE 72 1HB PHE 72 -0.902 4.760 3.102 593 HB3 PHE 72 2HB PHE 72 -0.368 4.836 1.422 594 HD1 PHE 72 HD1 PHE 72 1.858 5.927 0.874 595 HD2 PHE 72 HD2 PHE 72 0.662 4.997 4.899 596 HE1 PHE 72 HE1 PHE 72 4.206 6.116 1.612 597 HE2 PHE 72 HE2 PHE 72 3.029 5.194 5.639 598 HZ PHE 72 HZ PHE 72 4.794 5.765 3.994 599 H LEU 73 H LEU 73 -0.996 6.692 -0.279 600 HA LEU 73 HA LEU 73 1.510 7.756 -0.936 601 HB2 LEU 73 1HB LEU 73 -1.101 7.854 -2.470 602 HB3 LEU 73 2HB LEU 73 0.467 8.232 -3.167 603 HG LEU 73 HG LEU 73 -0.311 5.563 -1.959 604 HD11 LEU 73 1HD1 LEU 73 -1.481 6.147 -4.074 605 HD12 LEU 73 2HD1 LEU 73 -0.379 4.786 -4.278 606 HD13 LEU 73 3HD1 LEU 73 0.082 6.390 -4.848 607 HD21 LEU 73 3HD2 LEU 73 2.205 6.616 -3.259 608 HD22 LEU 73 1HD2 LEU 73 1.827 4.897 -3.299 609 HD23 LEU 73 2HD2 LEU 73 2.053 5.708 -1.753 610 H GLN 74 H GLN 74 -1.635 9.333 -0.523 611 HA GLN 74 HA GLN 74 -0.728 11.947 -1.228 612 HB2 GLN 74 1HB GLN 74 -3.124 11.055 0.403 613 HB3 GLN 74 2HB GLN 74 -2.865 12.694 -0.198 614 HG2 GLN 74 1HG GLN 74 -3.054 10.209 -1.928 615 HG3 GLN 74 2HG GLN 74 -4.355 11.374 -1.695 616 HE21 GLN 74 2HE2 GLN 74 -1.865 10.584 -3.781 617 HE22 GLN 74 1HE2 GLN 74 -1.628 12.101 -4.506 618 H ASP 75 H ASP 75 -0.945 10.118 1.737 619 HA ASP 75 HA ASP 75 -0.569 12.199 3.591 620 HB2 ASP 75 1HB ASP 75 0.029 9.252 3.708 621 HB3 ASP 75 2HB ASP 75 0.285 10.318 5.082 622 H VAL 76 H VAL 76 1.898 9.997 2.158 623 HA VAL 76 HA VAL 76 4.029 11.264 3.537 624 HB VAL 76 HB VAL 76 5.484 10.198 1.720 625 HG11 VAL 76 1HG1 VAL 76 4.953 9.160 3.929 626 HG12 VAL 76 2HG1 VAL 76 5.208 7.982 2.645 627 HG13 VAL 76 3HG1 VAL 76 3.569 8.361 3.183 628 HG21 VAL 76 3HG2 VAL 76 2.954 8.733 0.966 629 HG22 VAL 76 1HG2 VAL 76 4.507 8.750 0.134 630 HG23 VAL 76 2HG2 VAL 76 3.466 10.167 0.089 631 H SER 77 H SER 77 2.540 11.746 0.403 632 HA SER 77 HA SER 77 4.387 13.612 -0.640 633 HB2 SER 77 1HB SER 77 1.442 13.222 -1.192 634 HB3 SER 77 2HB SER 77 2.479 14.304 -2.116 635 HG SER 77 HG SER 77 3.590 11.846 -1.783 636 H ALA 78 H ALA 78 1.478 14.054 1.339 637 HA ALA 78 HA ALA 78 1.930 16.966 1.401 638 HB1 ALA 78 3HB ALA 78 -0.354 15.282 2.453 639 HB2 ALA 78 1HB ALA 78 -0.346 16.218 0.958 640 HB3 ALA 78 2HB ALA 78 -0.267 17.042 2.514 641 H SER 79 H SER 79 0.946 14.576 3.855 642 HA SER 79 HA SER 79 1.779 16.123 6.053 643 HB2 SER 79 1HB SER 79 0.222 14.064 5.946 644 HB3 SER 79 2HB SER 79 1.695 13.115 6.103 645 HG SER 79 HG SER 79 0.490 13.860 8.085 646 H ALA 80 H ALA 80 3.435 13.464 4.369 647 HA ALA 80 HA ALA 80 5.605 12.693 4.504 648 HB1 ALA 80 3HB ALA 80 6.352 15.604 4.692 649 HB2 ALA 80 1HB ALA 80 5.615 14.937 3.238 650 HB3 ALA 80 2HB ALA 80 7.163 14.309 3.807 651 H LYS 81 H LYS 81 4.473 12.628 7.086 652 HA LYS 81 HA LYS 81 6.410 13.810 8.928 653 HB2 LYS 81 1HB LYS 81 4.207 11.841 9.541 654 HB3 LYS 81 2HB LYS 81 5.082 12.855 10.692 655 HG2 LYS 81 1HG LYS 81 4.247 14.860 9.498 656 HG3 LYS 81 2HG LYS 81 3.297 13.796 8.484 657 HD2 LYS 81 1HD LYS 81 3.046 13.871 11.496 658 HD3 LYS 81 2HD LYS 81 2.015 14.802 10.415 659 HE2 LYS 81 1HE LYS 81 1.431 12.590 9.275 660 HE3 LYS 81 2HE LYS 81 2.215 11.793 10.637 661 HZ1 LYS 81 3HZ LYS 81 -0.354 12.995 10.503 662 HZ2 LYS 81 1HZ LYS 81 0.566 13.677 11.754 663 HZ3 LYS 81 2HZ LYS 81 0.309 11.998 11.710 664 H SER 82 H SER 82 6.474 11.800 10.797 665 HA SER 82 HA SER 82 8.722 10.278 9.963 666 HB2 SER 82 1HB SER 82 6.873 10.097 12.339 667 HB3 SER 82 2HB SER 82 8.181 8.942 12.104 668 HG SER 82 HG SER 82 9.267 10.456 13.110 669 H LEU 83 H LEU 83 8.920 8.183 9.307 670 HA LEU 83 HA LEU 83 6.867 7.070 7.736 671 HB2 LEU 83 1HB LEU 83 9.358 5.856 8.938 672 HB3 LEU 83 2HB LEU 83 8.376 5.082 7.704 673 HG LEU 83 HG LEU 83 9.604 7.822 7.377 674 HD11 LEU 83 1HD1 LEU 83 10.626 5.153 6.370 675 HD12 LEU 83 2HD1 LEU 83 11.314 6.067 7.713 676 HD13 LEU 83 3HD1 LEU 83 11.362 6.732 6.079 677 HD21 LEU 83 3HD2 LEU 83 8.069 5.939 5.586 678 HD22 LEU 83 1HD2 LEU 83 9.279 7.005 4.873 679 HD23 LEU 83 2HD2 LEU 83 7.919 7.685 5.759 680 H GLN 84 H GLN 84 8.116 6.219 10.920 681 HA GLN 84 HA GLN 84 6.539 3.936 11.372 682 HB2 GLN 84 1HB GLN 84 7.738 5.889 13.345 683 HB3 GLN 84 2HB GLN 84 7.072 4.313 13.771 684 HG2 GLN 84 1HG GLN 84 9.323 4.739 11.786 685 HG3 GLN 84 2HG GLN 84 9.554 4.266 13.470 686 HE21 GLN 84 2HE2 GLN 84 9.334 2.980 10.400 687 HE22 GLN 84 1HE2 GLN 84 8.803 1.417 10.790 688 H GLU 85 H GLU 85 5.914 7.343 12.184 689 HA GLU 85 HA GLU 85 3.554 6.859 13.665 690 HB2 GLU 85 1HB GLU 85 4.854 8.981 13.726 691 HB3 GLU 85 2HB GLU 85 4.284 9.342 12.095 692 HG2 GLU 85 1HG GLU 85 1.959 9.304 12.865 693 HG3 GLU 85 2HG GLU 85 2.490 8.870 14.489 694 H LEU 86 H LEU 86 4.133 7.444 10.225 695 HA LEU 86 HA LEU 86 1.428 7.741 9.478 696 HB2 LEU 86 1HB LEU 86 3.858 6.848 7.927 697 HB3 LEU 86 2HB LEU 86 2.279 7.073 7.182 698 HG LEU 86 HG LEU 86 3.752 9.213 8.753 699 HD11 LEU 86 1HD1 LEU 86 5.007 8.673 6.746 700 HD12 LEU 86 2HD1 LEU 86 4.185 10.213 6.499 701 HD13 LEU 86 3HD1 LEU 86 3.542 8.742 5.765 702 HD21 LEU 86 3HD2 LEU 86 1.537 9.925 8.788 703 HD22 LEU 86 1HD2 LEU 86 1.118 9.085 7.295 704 HD23 LEU 86 2HD2 LEU 86 2.025 10.597 7.238 705 H LEU 87 H LEU 87 3.473 4.814 9.667 706 HA LEU 87 HA LEU 87 1.259 3.207 8.692 707 HB2 LEU 87 1HB LEU 87 2.760 1.269 9.093 708 HB3 LEU 87 2HB LEU 87 3.437 2.481 8.017 709 HG LEU 87 HG LEU 87 4.528 3.449 10.198 710 HD11 LEU 87 1HD1 LEU 87 5.153 1.405 11.705 711 HD12 LEU 87 2HD1 LEU 87 3.674 0.691 11.070 712 HD13 LEU 87 3HD1 LEU 87 3.612 2.211 11.960 713 HD21 LEU 87 3HD2 LEU 87 5.486 0.840 8.988 714 HD22 LEU 87 1HD2 LEU 87 6.494 2.004 9.848 715 HD23 LEU 87 2HD2 LEU 87 5.761 2.440 8.306 716 H SER 88 H SER 88 2.150 4.490 11.666 717 HA SER 88 HA SER 88 1.379 2.424 13.442 718 HB2 SER 88 1HB SER 88 1.226 5.424 13.777 719 HB3 SER 88 2HB SER 88 1.031 4.257 15.080 720 HG SER 88 HG SER 88 3.304 5.008 13.646 721 H ALA 89 H ALA 89 -0.439 4.986 11.809 722 HA ALA 89 HA ALA 89 -2.955 3.939 12.967 723 HB1 ALA 89 3HB ALA 89 -2.507 6.467 11.382 724 HB2 ALA 89 1HB ALA 89 -2.432 6.376 13.140 725 HB3 ALA 89 2HB ALA 89 -3.944 6.029 12.302 726 H HIS 90 H HIS 90 -1.458 4.704 9.838 727 HA HIS 90 HA HIS 90 -3.704 4.078 8.251 728 HB2 HIS 90 1HB HIS 90 -0.748 4.081 7.623 729 HB3 HIS 90 2HB HIS 90 -2.007 3.878 6.404 730 HD1 HIS 90 HD1 HIS 90 -4.062 5.935 7.520 731 HD2 HIS 90 HD2 HIS 90 0.002 6.699 7.035 732 HE1 HIS 90 HE1 HIS 90 -3.830 8.446 7.282 733 HE2 HIS 90 HE2 HIS 90 -1.351 8.932 7.025 734 H SER 91 H SER 91 -0.963 2.082 9.314 735 HA SER 91 HA SER 91 -1.149 -0.149 7.844 736 HB2 SER 91 1HB SER 91 -0.777 0.052 10.807 737 HB3 SER 91 2HB SER 91 -0.603 -1.461 9.933 738 HG SER 91 HG SER 91 1.295 0.113 10.273 739 H LEU 92 H LEU 92 -2.791 -1.090 7.130 740 HA LEU 92 HA LEU 92 -5.244 -1.531 8.689 741 HB2 LEU 92 1HB LEU 92 -4.542 -2.224 5.823 742 HB3 LEU 92 2HB LEU 92 -6.124 -2.439 6.560 743 HG LEU 92 HG LEU 92 -4.716 0.229 6.339 744 HD11 LEU 92 1HD1 LEU 92 -6.462 -1.281 4.430 745 HD12 LEU 92 2HD1 LEU 92 -5.170 -0.126 4.106 746 HD13 LEU 92 3HD1 LEU 92 -6.763 0.449 4.588 747 HD21 LEU 92 3HD2 LEU 92 -6.345 0.381 8.078 748 HD22 LEU 92 1HD2 LEU 92 -7.476 -0.661 7.216 749 HD23 LEU 92 2HD2 LEU 92 -7.189 0.983 6.656 750 H SER 93 H SER 93 -2.295 -2.980 8.328 751 HA SER 93 HA SER 93 -3.374 -5.645 9.033 752 HB2 SER 93 1HB SER 93 -1.612 -6.654 7.577 753 HB3 SER 93 2HB SER 93 -2.846 -5.785 6.673 754 HG SER 93 HG SER 93 -0.429 -4.601 7.549 755 H SER 94 H SER 94 -1.723 -7.054 10.003 756 HA SER 94 HA SER 94 0.379 -5.529 11.453 757 HB2 SER 94 1HB SER 94 -1.335 -7.812 12.452 758 HB3 SER 94 2HB SER 94 0.021 -7.110 13.327 759 HG SER 94 HG SER 94 -1.565 -5.141 12.505 760 H TRP 95 H TRP 95 0.766 -6.906 8.943 761 HA TRP 95 HA TRP 95 2.805 -8.847 9.822 762 HB2 TRP 95 1HB TRP 95 2.159 -10.510 8.258 763 HB3 TRP 95 2HB TRP 95 0.685 -10.042 9.099 764 HD1 TRP 95 HD1 TRP 95 2.536 -9.243 5.805 765 HE1 TRP 95 HE1 TRP 95 0.759 -8.660 4.027 766 HE3 TRP 95 HE3 TRP 95 -1.698 -9.466 8.661 767 HZ2 TRP 95 HZ2 TRP 95 -2.065 -8.336 3.841 768 HZ3 TRP 95 HZ3 TRP 95 -3.915 -9.007 7.653 769 HH2 TRP 95 HH2 TRP 95 -4.101 -8.435 5.249 770 H GLY 96 H GLY 96 4.362 -9.341 7.998 771 HA2 GLY 96 1HA GLY 96 4.806 -8.201 5.635 772 HA3 GLY 96 2HA GLY 96 5.056 -6.816 6.688 773 H ALA 97 H ALA 97 5.966 -10.256 6.695 774 HA ALA 97 HA ALA 97 8.024 -11.271 6.793 775 HB1 ALA 97 3HB ALA 97 9.434 -8.618 6.755 776 HB2 ALA 97 1HB ALA 97 8.638 -9.220 5.301 777 HB3 ALA 97 2HB ALA 97 9.930 -10.157 6.054 778 H GLU 98 H GLU 98 7.004 -11.474 9.049 779 HA GLU 98 HA GLU 98 9.103 -10.907 10.971 780 HB2 GLU 98 1HB GLU 98 7.674 -9.817 12.602 781 HB3 GLU 98 2HB GLU 98 7.670 -8.880 11.111 782 HG2 GLU 98 1HG GLU 98 5.532 -9.997 10.463 783 HG3 GLU 98 2HG GLU 98 5.528 -10.828 12.016 784 H VAL 99 H VAL 99 8.748 -12.044 13.012 785 HA VAL 99 HA VAL 99 8.441 -14.670 12.971 786 HB VAL 99 HB VAL 99 7.599 -14.639 15.303 787 HG11 VAL 99 1HG1 VAL 99 9.662 -12.476 14.775 788 HG12 VAL 99 2HG1 VAL 99 10.010 -14.201 14.670 789 HG13 VAL 99 3HG1 VAL 99 9.531 -13.491 16.211 790 HG21 VAL 99 3HG2 VAL 99 6.024 -12.864 15.356 791 HG22 VAL 99 1HG2 VAL 99 7.144 -11.728 14.604 792 HG23 VAL 99 2HG2 VAL 99 7.394 -12.239 16.272 793 H LYS 100 H LYS 100 7.042 -16.181 12.686 794 HA LYS 100 HA LYS 100 4.214 -15.475 12.178 795 HB2 LYS 100 1HB LYS 100 5.956 -17.720 11.124 796 HB3 LYS 100 2HB LYS 100 4.267 -17.435 10.684 797 HG2 LYS 100 1HG LYS 100 4.830 -15.225 9.815 798 HG3 LYS 100 2HG LYS 100 6.506 -15.426 10.317 799 HD2 LYS 100 1HD LYS 100 6.681 -17.394 8.789 800 HD3 LYS 100 2HD LYS 100 5.038 -17.059 8.236 801 HE2 LYS 100 1HE LYS 100 5.708 -14.839 7.478 802 HE3 LYS 100 2HE LYS 100 7.341 -15.090 8.096 803 HZ1 LYS 100 3HZ LYS 100 6.087 -16.874 6.083 804 HZ2 LYS 100 1HZ LYS 100 7.721 -16.799 6.531 805 HZ3 LYS 100 2HZ LYS 100 7.023 -15.522 5.655 806 H HIS 101 H HIS 101 2.664 -17.208 12.655 807 HA HIS 101 HA HIS 101 2.968 -18.144 15.332 808 HB2 HIS 101 1HB HIS 101 0.768 -19.236 14.921 809 HB3 HIS 101 2HB HIS 101 0.774 -17.532 14.462 810 HD1 HIS 101 HD1 HIS 101 1.912 -20.661 12.588 811 HD2 HIS 101 HD2 HIS 101 -0.616 -17.386 12.079 812 HE1 HIS 101 HE1 HIS 101 0.956 -20.855 10.253 813 HE2 HIS 101 HE2 HIS 101 -0.596 -18.869 9.928 814 H HIS 102 H HIS 102 5.123 -19.152 13.898 815 HA HIS 102 HA HIS 102 4.608 -21.819 12.963 816 HB2 HIS 102 1HB HIS 102 6.538 -20.639 12.126 817 HB3 HIS 102 2HB HIS 102 7.157 -20.391 13.757 818 HD1 HIS 102 HD1 HIS 102 8.266 -22.426 14.939 819 HD2 HIS 102 HD2 HIS 102 6.947 -23.242 11.066 820 HE1 HIS 102 HE1 HIS 102 9.290 -24.651 14.281 821 HE2 HIS 102 HE2 HIS 102 8.482 -25.166 11.931 822 H HIS 103 H HIS 103 3.894 -23.352 14.304 823 HA HIS 103 HA HIS 103 5.467 -24.160 16.566 824 HB2 HIS 103 1HB HIS 103 3.644 -23.900 18.240 825 HB3 HIS 103 2HB HIS 103 4.266 -22.356 17.661 826 HD1 HIS 103 HD1 HIS 103 1.442 -24.770 16.747 827 HD2 HIS 103 HD2 HIS 103 2.250 -20.678 16.809 828 HE1 HIS 103 HE1 HIS 103 -0.689 -23.603 16.027 829 HE2 HIS 103 HE2 HIS 103 -0.207 -21.112 16.055 830 H HIS 104 H HIS 104 3.699 -24.853 14.005 831 HA HIS 104 HA HIS 104 2.014 -26.979 14.993 832 HB2 HIS 104 1HB HIS 104 2.868 -26.205 12.194 833 HB3 HIS 104 2HB HIS 104 1.698 -27.470 12.567 834 HD1 HIS 104 HD1 HIS 104 2.146 -23.751 12.573 835 HD2 HIS 104 HD2 HIS 104 -0.816 -26.517 13.554 836 HE1 HIS 104 HE1 HIS 104 0.001 -22.435 12.858 837 HE2 HIS 104 HE2 HIS 104 -1.810 -24.105 13.468 838 H HIS 105 H HIS 105 2.421 -29.159 14.998 839 HA HIS 105 HA HIS 105 5.200 -29.969 14.859 840 HB2 HIS 105 1HB HIS 105 4.450 -32.072 15.737 841 HB3 HIS 105 2HB HIS 105 3.600 -30.796 16.605 842 HD1 HIS 105 HD1 HIS 105 1.082 -30.361 15.913 843 HD2 HIS 105 HD2 HIS 105 2.777 -33.799 14.273 844 HE1 HIS 105 HE1 HIS 105 -0.838 -31.747 15.015 845 HE2 HIS 105 HE2 HIS 105 0.178 -33.848 14.015 846 H HIS 106 H HIS 106 2.500 -29.970 12.723 847 HA HIS 106 HA HIS 106 3.049 -32.227 11.149 848 HB2 HIS 106 1HB HIS 106 1.003 -30.758 11.009 849 HB3 HIS 106 2HB HIS 106 1.986 -29.587 10.129 850 HD1 HIS 106 HD1 HIS 106 3.422 -30.918 8.041 851 HD2 HIS 106 HD2 HIS 106 -0.272 -32.441 9.241 852 HE1 HIS 106 HE1 HIS 106 2.586 -32.362 6.135 853 HE2 HIS 106 HE2 HIS 106 0.348 -33.314 6.861 Start of MODEL 3 1 H1 MET 1 1H MET 1 11.761 15.139 1.019 2 H2 MET 1 2H MET 1 11.527 14.135 -0.332 3 H3 MET 1 3H MET 1 12.857 13.885 0.696 4 HA MET 1 HA MET 1 11.140 13.508 2.525 5 HB2 MET 1 1HB MET 1 9.486 13.209 -0.003 6 HB3 MET 1 2HB MET 1 8.988 12.618 1.582 7 HG2 MET 1 1HG MET 1 9.101 14.881 2.499 8 HG3 MET 1 2HG MET 1 9.667 15.508 0.954 9 HE1 MET 1 3HE MET 1 6.935 15.577 -1.396 10 HE2 MET 1 1HE MET 1 7.552 13.925 -1.288 11 HE3 MET 1 2HE MET 1 8.647 15.288 -1.102 12 H LYS 2 H LYS 2 11.160 11.957 -0.690 13 HA LYS 2 HA LYS 2 11.759 9.853 -1.374 14 HB2 LYS 2 1HB LYS 2 13.652 9.981 0.983 15 HB3 LYS 2 2HB LYS 2 13.809 8.959 -0.447 16 HG2 LYS 2 1HG LYS 2 14.117 10.878 -1.876 17 HG3 LYS 2 2HG LYS 2 13.732 11.983 -0.556 18 HD2 LYS 2 1HD LYS 2 15.724 11.225 0.680 19 HD3 LYS 2 2HD LYS 2 16.116 10.108 -0.632 20 HE2 LYS 2 1HE LYS 2 16.463 11.929 -2.171 21 HE3 LYS 2 2HE LYS 2 15.836 13.100 -1.014 22 HZ1 LYS 2 3HZ LYS 2 17.946 13.352 -0.398 23 HZ2 LYS 2 1HZ LYS 2 18.455 11.954 -1.213 24 HZ3 LYS 2 2HZ LYS 2 17.808 11.838 0.356 25 HA PRO 3 HA PRO 3 9.409 7.813 2.092 26 HB2 PRO 3 1HB PRO 3 6.921 7.758 1.048 27 HB3 PRO 3 2HB PRO 3 7.563 9.211 1.844 28 HG2 PRO 3 1HG PRO 3 7.286 8.609 -1.061 29 HG3 PRO 3 2HG PRO 3 7.016 10.135 -0.198 30 HD2 PRO 3 1HD PRO 3 9.353 9.490 -1.612 31 HD3 PRO 3 2HD PRO 3 9.235 10.744 -0.359 32 H LEU 4 H LEU 4 8.547 7.309 -1.345 33 HA LEU 4 HA LEU 4 8.568 4.399 -0.921 34 HB2 LEU 4 1HB LEU 4 7.589 6.084 -3.239 35 HB3 LEU 4 2HB LEU 4 7.461 4.322 -3.134 36 HG LEU 4 HG LEU 4 6.213 6.317 -1.220 37 HD11 LEU 4 1HD1 LEU 4 4.185 5.973 -2.295 38 HD12 LEU 4 2HD1 LEU 4 4.667 4.412 -2.951 39 HD13 LEU 4 3HD1 LEU 4 5.291 5.896 -3.665 40 HD21 LEU 4 3HD2 LEU 4 6.506 4.468 0.158 41 HD22 LEU 4 1HD2 LEU 4 6.463 3.322 -1.181 42 HD23 LEU 4 2HD2 LEU 4 4.967 4.041 -0.583 43 H SER 5 H SER 5 10.798 6.625 -1.727 44 HA SER 5 HA SER 5 11.965 5.580 -4.090 45 HB2 SER 5 1HB SER 5 12.312 7.873 -2.946 46 HB3 SER 5 2HB SER 5 13.515 7.038 -1.970 47 HG SER 5 HG SER 5 14.316 8.010 -3.945 48 H ASN 6 H ASN 6 12.325 4.757 -0.722 49 HA ASN 6 HA ASN 6 14.645 3.031 -1.255 50 HB2 ASN 6 1HB ASN 6 13.234 3.889 1.271 51 HB3 ASN 6 2HB ASN 6 14.563 2.731 1.246 52 HD21 ASN 6 2HD2 ASN 6 14.826 5.228 2.607 53 HD22 ASN 6 1HD2 ASN 6 15.970 6.170 1.778 54 H MET 7 H MET 7 11.512 2.547 -1.814 55 HA MET 7 HA MET 7 11.693 -0.301 -1.128 56 HB2 MET 7 1HB MET 7 9.394 -0.200 -0.134 57 HB3 MET 7 2HB MET 7 10.640 0.555 0.840 58 HG2 MET 7 1HG MET 7 10.008 2.756 -0.171 59 HG3 MET 7 2HG MET 7 8.674 1.942 -0.993 60 HE1 MET 7 3HE MET 7 7.016 0.691 -0.099 61 HE2 MET 7 1HE MET 7 6.039 1.338 1.220 62 HE3 MET 7 2HE MET 7 7.144 -0.002 1.510 63 H LYS 8 H LYS 8 9.789 -1.533 -1.983 64 HA LYS 8 HA LYS 8 9.089 -0.543 -4.672 65 HB2 LYS 8 1HB LYS 8 9.146 -3.303 -3.447 66 HB3 LYS 8 2HB LYS 8 8.382 -2.982 -4.997 67 HG2 LYS 8 1HG LYS 8 10.530 -3.598 -5.673 68 HG3 LYS 8 2HG LYS 8 10.692 -1.848 -5.592 69 HD2 LYS 8 1HD LYS 8 11.673 -1.993 -3.376 70 HD3 LYS 8 2HD LYS 8 11.421 -3.737 -3.341 71 HE2 LYS 8 1HE LYS 8 12.911 -3.986 -5.301 72 HE3 LYS 8 2HE LYS 8 13.179 -2.244 -5.309 73 HZ1 LYS 8 3HZ LYS 8 14.250 -2.345 -3.234 74 HZ2 LYS 8 1HZ LYS 8 14.908 -3.610 -4.151 75 HZ3 LYS 8 2HZ LYS 8 13.750 -3.944 -2.954 76 H ILE 9 H ILE 9 6.942 -1.214 -5.482 77 HA ILE 9 HA ILE 9 4.821 -1.161 -3.406 78 HB ILE 9 HB ILE 9 5.096 0.647 -5.781 79 HG12 ILE 9 1HG1 ILE 9 6.354 1.331 -3.779 80 HG13 ILE 9 2HG1 ILE 9 5.043 2.446 -4.129 81 HG21 ILE 9 1HG2 ILE 9 2.792 0.091 -5.757 82 HG22 ILE 9 2HG2 ILE 9 2.897 1.627 -4.894 83 HG23 ILE 9 3HG2 ILE 9 2.728 0.120 -3.996 84 HD11 ILE 9 3HD1 ILE 9 5.437 0.685 -1.795 85 HD12 ILE 9 1HD1 ILE 9 3.791 0.679 -2.417 86 HD13 ILE 9 2HD1 ILE 9 4.542 2.190 -1.925 87 H LEU 10 H LEU 10 2.853 -2.024 -3.973 88 HA LEU 10 HA LEU 10 2.567 -3.323 -6.613 89 HB2 LEU 10 1HB LEU 10 3.414 -4.922 -4.871 90 HB3 LEU 10 2HB LEU 10 1.911 -4.696 -4.012 91 HG LEU 10 HG LEU 10 1.696 -5.419 -6.919 92 HD11 LEU 10 1HD1 LEU 10 2.049 -7.798 -6.474 93 HD12 LEU 10 2HD1 LEU 10 2.442 -7.448 -4.792 94 HD13 LEU 10 3HD1 LEU 10 3.516 -6.899 -6.078 95 HD21 LEU 10 3HD2 LEU 10 0.272 -6.431 -4.430 96 HD22 LEU 10 1HD2 LEU 10 -0.206 -6.731 -6.099 97 HD23 LEU 10 2HD2 LEU 10 -0.304 -5.105 -5.437 98 H THR 11 H THR 11 0.461 -3.388 -7.374 99 HA THR 11 HA THR 11 -1.590 -2.014 -5.708 100 HB THR 11 HB THR 11 -2.630 -1.393 -7.896 101 HG1 THR 11 HG1 THR 11 -1.875 -2.330 -9.594 102 HG21 THR 11 3HG2 THR 11 -1.046 0.100 -6.621 103 HG22 THR 11 1HG2 THR 11 -1.086 0.404 -8.359 104 HG23 THR 11 2HG2 THR 11 0.253 -0.501 -7.655 105 H LEU 12 H LEU 12 -3.375 -3.119 -5.198 106 HA LEU 12 HA LEU 12 -4.026 -5.587 -6.710 107 HB2 LEU 12 1HB LEU 12 -3.195 -6.323 -4.601 108 HB3 LEU 12 2HB LEU 12 -4.075 -5.071 -3.731 109 HG LEU 12 HG LEU 12 -6.224 -6.164 -4.312 110 HD11 LEU 12 1HD1 LEU 12 -4.407 -8.139 -5.724 111 HD12 LEU 12 2HD1 LEU 12 -5.685 -7.170 -6.451 112 HD13 LEU 12 3HD1 LEU 12 -6.093 -8.463 -5.338 113 HD21 LEU 12 3HD2 LEU 12 -4.874 -6.851 -2.284 114 HD22 LEU 12 1HD2 LEU 12 -4.275 -8.214 -3.231 115 HD23 LEU 12 2HD2 LEU 12 -5.998 -8.077 -2.875 116 H GLY 13 H GLY 13 -6.034 -5.702 -7.505 117 HA2 GLY 13 1HA GLY 13 -8.242 -5.212 -7.938 118 HA3 GLY 13 2HA GLY 13 -8.345 -4.653 -6.273 119 H LYS 14 H LYS 14 -9.530 -2.832 -6.590 120 HA LYS 14 HA LYS 14 -8.308 -0.690 -8.243 121 HB2 LYS 14 1HB LYS 14 -10.566 -1.611 -9.037 122 HB3 LYS 14 2HB LYS 14 -11.249 -0.890 -7.581 123 HG2 LYS 14 1HG LYS 14 -10.446 1.313 -8.234 124 HG3 LYS 14 2HG LYS 14 -9.624 0.632 -9.638 125 HD2 LYS 14 1HD LYS 14 -11.841 -0.154 -10.493 126 HD3 LYS 14 2HD LYS 14 -12.609 0.679 -9.143 127 HE2 LYS 14 1HE LYS 14 -10.800 2.039 -11.149 128 HE3 LYS 14 2HE LYS 14 -12.557 2.033 -11.255 129 HZ1 LYS 14 3HZ LYS 14 -12.749 3.255 -9.287 130 HZ2 LYS 14 1HZ LYS 14 -11.484 4.008 -10.127 131 HZ3 LYS 14 2HZ LYS 14 -11.137 2.964 -8.831 132 H LEU 15 H LEU 15 -8.542 1.454 -7.437 133 HA LEU 15 HA LEU 15 -9.258 1.709 -4.587 134 HB2 LEU 15 1HB LEU 15 -7.240 2.815 -4.023 135 HB3 LEU 15 2HB LEU 15 -6.765 1.358 -4.882 136 HG LEU 15 HG LEU 15 -6.873 4.173 -5.995 137 HD11 LEU 15 1HD1 LEU 15 -4.911 3.404 -4.535 138 HD12 LEU 15 2HD1 LEU 15 -4.500 4.003 -6.141 139 HD13 LEU 15 3HD1 LEU 15 -4.530 2.266 -5.830 140 HD21 LEU 15 3HD2 LEU 15 -7.567 2.824 -7.804 141 HD22 LEU 15 1HD2 LEU 15 -6.500 1.498 -7.341 142 HD23 LEU 15 2HD2 LEU 15 -5.828 2.977 -8.030 143 H SER 16 H SER 16 -8.883 4.309 -4.090 144 HA SER 16 HA SER 16 -11.005 5.556 -5.441 145 HB2 SER 16 1HB SER 16 -10.425 6.405 -3.287 146 HB3 SER 16 2HB SER 16 -8.764 6.720 -3.782 147 HG SER 16 HG SER 16 -9.379 8.510 -4.709 148 H GLN 17 H GLN 17 -7.496 5.872 -5.913 149 HA GLN 17 HA GLN 17 -7.650 7.825 -7.975 150 HB2 GLN 17 1HB GLN 17 -5.555 5.793 -7.192 151 HB3 GLN 17 2HB GLN 17 -5.346 6.871 -8.569 152 HG2 GLN 17 1HG GLN 17 -5.157 8.764 -7.256 153 HG3 GLN 17 2HG GLN 17 -6.164 8.118 -5.962 154 HE21 GLN 17 2HE2 GLN 17 -4.871 7.927 -4.112 155 HE22 GLN 17 1HE2 GLN 17 -3.296 7.305 -4.085 156 H ASN 18 H ASN 18 -7.176 7.392 -10.301 157 HA ASN 18 HA ASN 18 -8.937 5.382 -11.307 158 HB2 ASN 18 1HB ASN 18 -6.911 7.129 -12.721 159 HB3 ASN 18 2HB ASN 18 -8.132 6.140 -13.525 160 HD21 ASN 18 2HD2 ASN 18 -7.579 9.133 -11.836 161 HD22 ASN 18 1HD2 ASN 18 -9.180 9.698 -11.897 162 H LYS 19 H LYS 19 -5.688 5.792 -12.577 163 HA LYS 19 HA LYS 19 -4.643 3.310 -11.658 164 HB2 LYS 19 1HB LYS 19 -6.369 2.453 -13.217 165 HB3 LYS 19 2HB LYS 19 -5.615 3.372 -14.515 166 HG2 LYS 19 1HG LYS 19 -3.754 1.610 -12.986 167 HG3 LYS 19 2HG LYS 19 -4.982 0.755 -13.912 168 HD2 LYS 19 1HD LYS 19 -3.371 2.962 -15.200 169 HD3 LYS 19 2HD LYS 19 -2.717 1.334 -15.067 170 HE2 LYS 19 1HE LYS 19 -5.366 2.037 -16.349 171 HE3 LYS 19 2HE LYS 19 -3.883 1.669 -17.226 172 HZ1 LYS 19 3HZ LYS 19 -5.517 -0.125 -15.541 173 HZ2 LYS 19 1HZ LYS 19 -3.897 -0.482 -15.892 174 HZ3 LYS 19 2HZ LYS 19 -5.026 -0.339 -17.154 175 H ASP 20 H ASP 20 -4.611 5.278 -14.630 176 HA ASP 20 HA ASP 20 -1.818 5.084 -15.006 177 HB2 ASP 20 1HB ASP 20 -3.313 5.729 -16.826 178 HB3 ASP 20 2HB ASP 20 -3.768 7.195 -15.959 179 H GLU 21 H GLU 21 -3.874 7.456 -13.409 180 HA GLU 21 HA GLU 21 -1.826 9.332 -12.816 181 HB2 GLU 21 1HB GLU 21 -3.433 10.412 -11.417 182 HB3 GLU 21 2HB GLU 21 -4.295 9.798 -12.819 183 HG2 GLU 21 1HG GLU 21 -4.993 7.814 -11.486 184 HG3 GLU 21 2HG GLU 21 -4.204 8.516 -10.074 185 H ALA 22 H ALA 22 -3.244 6.663 -11.019 186 HA ALA 22 HA ALA 22 -1.995 7.072 -8.554 187 HB1 ALA 22 3HB ALA 22 -3.790 5.332 -9.308 188 HB2 ALA 22 1HB ALA 22 -2.658 4.885 -8.034 189 HB3 ALA 22 2HB ALA 22 -2.405 4.309 -9.682 190 H LYS 23 H LYS 23 -0.967 5.158 -11.343 191 HA LYS 23 HA LYS 23 1.496 4.272 -10.328 192 HB2 LYS 23 1HB LYS 23 0.509 4.746 -13.146 193 HB3 LYS 23 2HB LYS 23 2.025 3.936 -12.764 194 HG2 LYS 23 1HG LYS 23 0.810 2.218 -11.497 195 HG3 LYS 23 2HG LYS 23 -0.709 3.045 -11.813 196 HD2 LYS 23 1HD LYS 23 -0.457 2.722 -14.201 197 HD3 LYS 23 2HD LYS 23 1.132 1.987 -13.970 198 HE2 LYS 23 1HE LYS 23 0.066 0.165 -12.648 199 HE3 LYS 23 2HE LYS 23 -1.512 0.889 -12.955 200 HZ1 LYS 23 3HZ LYS 23 -1.570 -0.016 -14.966 201 HZ2 LYS 23 1HZ LYS 23 -0.189 -0.908 -14.559 202 HZ3 LYS 23 2HZ LYS 23 -0.033 0.582 -15.362 203 H ALA 24 H ALA 24 0.615 7.112 -12.269 204 HA ALA 24 HA ALA 24 3.226 8.067 -12.707 205 HB1 ALA 24 3HB ALA 24 1.266 8.882 -13.954 206 HB2 ALA 24 1HB ALA 24 2.149 10.216 -13.213 207 HB3 ALA 24 2HB ALA 24 0.648 9.639 -12.487 208 H MET 25 H MET 25 0.911 8.672 -10.077 209 HA MET 25 HA MET 25 2.526 10.621 -8.784 210 HB2 MET 25 1HB MET 25 0.605 10.902 -7.644 211 HB3 MET 25 2HB MET 25 -0.066 9.470 -8.408 212 HG2 MET 25 1HG MET 25 -0.219 9.216 -6.002 213 HG3 MET 25 2HG MET 25 0.999 8.089 -6.585 214 HE1 MET 25 3HE MET 25 0.200 11.505 -5.435 215 HE2 MET 25 1HE MET 25 1.502 12.031 -4.364 216 HE3 MET 25 2HE MET 25 0.363 10.797 -3.832 217 H ILE 26 H ILE 26 2.216 7.107 -8.457 218 HA ILE 26 HA ILE 26 3.849 6.817 -6.185 219 HB ILE 26 HB ILE 26 3.188 4.965 -8.472 220 HG12 ILE 26 1HG1 ILE 26 2.286 4.890 -5.585 221 HG13 ILE 26 2HG1 ILE 26 1.419 5.809 -6.808 222 HG21 ILE 26 1HG2 ILE 26 3.962 3.206 -6.689 223 HG22 ILE 26 2HG2 ILE 26 4.880 4.545 -6.001 224 HG23 ILE 26 3HG2 ILE 26 5.192 4.022 -7.653 225 HD11 ILE 26 3HD1 ILE 26 0.635 3.394 -6.390 226 HD12 ILE 26 1HD1 ILE 26 2.111 2.911 -7.228 227 HD13 ILE 26 2HD1 ILE 26 0.902 3.888 -8.063 228 H GLU 27 H GLU 27 4.640 6.758 -9.653 229 HA GLU 27 HA GLU 27 7.392 6.173 -9.293 230 HB2 GLU 27 1HB GLU 27 5.892 7.421 -11.595 231 HB3 GLU 27 2HB GLU 27 7.610 7.007 -11.653 232 HG2 GLU 27 1HG GLU 27 7.076 4.660 -11.135 233 HG3 GLU 27 2HG GLU 27 5.363 5.067 -11.041 234 H LYS 28 H LYS 28 5.520 9.124 -9.294 235 HA LYS 28 HA LYS 28 7.575 10.995 -9.647 236 HB2 LYS 28 1HB LYS 28 5.023 11.349 -9.536 237 HB3 LYS 28 2HB LYS 28 5.239 11.413 -7.789 238 HG2 LYS 28 1HG LYS 28 6.753 13.294 -7.983 239 HG3 LYS 28 2HG LYS 28 6.767 13.165 -9.738 240 HD2 LYS 28 1HD LYS 28 5.246 14.927 -9.295 241 HD3 LYS 28 2HD LYS 28 4.214 13.534 -9.610 242 HE2 LYS 28 1HE LYS 28 3.901 13.173 -7.217 243 HE3 LYS 28 2HE LYS 28 5.049 14.459 -6.844 244 HZ1 LYS 28 3HZ LYS 28 2.290 14.625 -7.673 245 HZ2 LYS 28 1HZ LYS 28 3.324 15.700 -8.477 246 HZ3 LYS 28 2HZ LYS 28 3.225 15.727 -6.781 247 H LEU 29 H LEU 29 6.351 9.421 -6.706 248 HA LEU 29 HA LEU 29 7.956 10.816 -4.836 249 HB2 LEU 29 1HB LEU 29 7.095 7.914 -4.614 250 HB3 LEU 29 2HB LEU 29 7.427 9.045 -3.306 251 HG LEU 29 HG LEU 29 5.176 9.205 -5.292 252 HD11 LEU 29 1HD1 LEU 29 5.375 8.023 -2.622 253 HD12 LEU 29 2HD1 LEU 29 4.106 7.869 -3.835 254 HD13 LEU 29 3HD1 LEU 29 4.090 9.226 -2.722 255 HD21 LEU 29 3HD2 LEU 29 6.200 11.121 -3.228 256 HD22 LEU 29 1HD2 LEU 29 4.490 11.120 -3.659 257 HD23 LEU 29 2HD2 LEU 29 5.705 11.435 -4.894 258 H GLY 30 H GLY 30 8.389 7.921 -6.707 259 HA2 GLY 30 1HA GLY 30 10.774 7.556 -7.507 260 HA3 GLY 30 2HA GLY 30 11.182 7.599 -5.783 261 H GLY 31 H GLY 31 8.155 6.477 -5.861 262 HA2 GLY 31 1HA GLY 31 8.825 3.825 -5.128 263 HA3 GLY 31 2HA GLY 31 7.205 4.430 -5.472 264 H LYS 32 H LYS 32 8.534 1.881 -6.232 265 HA LYS 32 HA LYS 32 8.234 2.068 -9.173 266 HB2 LYS 32 1HB LYS 32 10.102 0.330 -7.548 267 HB3 LYS 32 2HB LYS 32 9.766 0.082 -9.261 268 HG2 LYS 32 1HG LYS 32 10.607 2.320 -9.782 269 HG3 LYS 32 2HG LYS 32 10.851 2.651 -8.068 270 HD2 LYS 32 1HD LYS 32 12.999 2.034 -8.852 271 HD3 LYS 32 2HD LYS 32 12.387 0.583 -8.061 272 HE2 LYS 32 1HE LYS 32 11.765 -0.381 -10.212 273 HE3 LYS 32 2HE LYS 32 12.202 1.109 -11.045 274 HZ1 LYS 32 3HZ LYS 32 14.477 0.732 -9.955 275 HZ2 LYS 32 1HZ LYS 32 14.062 -0.216 -11.300 276 HZ3 LYS 32 2HZ LYS 32 13.948 -0.868 -9.736 277 H LEU 33 H LEU 33 7.290 0.287 -10.206 278 HA LEU 33 HA LEU 33 5.335 -1.147 -8.535 279 HB2 LEU 33 1HB LEU 33 5.556 -0.790 -11.539 280 HB3 LEU 33 2HB LEU 33 4.229 -1.599 -10.706 281 HG LEU 33 HG LEU 33 5.055 1.275 -10.193 282 HD11 LEU 33 1HD1 LEU 33 2.770 0.200 -11.871 283 HD12 LEU 33 2HD1 LEU 33 4.227 0.969 -12.500 284 HD13 LEU 33 3HD1 LEU 33 3.094 1.898 -11.524 285 HD21 LEU 33 3HD2 LEU 33 3.858 0.623 -8.293 286 HD22 LEU 33 1HD2 LEU 33 2.856 -0.524 -9.181 287 HD23 LEU 33 2HD2 LEU 33 2.554 1.207 -9.320 288 H THR 34 H THR 34 5.641 -3.215 -8.043 289 HA THR 34 HA THR 34 7.445 -4.863 -9.738 290 HB THR 34 HB THR 34 7.126 -5.019 -6.729 291 HG1 THR 34 HG1 THR 34 8.508 -3.324 -8.218 292 HG21 THR 34 3HG2 THR 34 9.115 -6.313 -8.615 293 HG22 THR 34 1HG2 THR 34 7.735 -7.140 -7.888 294 HG23 THR 34 2HG2 THR 34 9.034 -6.525 -6.868 295 H GLY 35 H GLY 35 6.613 -6.754 -10.415 296 HA2 GLY 35 1HA GLY 35 3.870 -7.394 -9.883 297 HA3 GLY 35 2HA GLY 35 4.998 -8.356 -10.839 298 H SER 36 H SER 36 4.714 -10.378 -9.963 299 HA SER 36 HA SER 36 4.635 -12.059 -8.377 300 HB2 SER 36 1HB SER 36 6.568 -12.080 -6.873 301 HB3 SER 36 2HB SER 36 7.052 -11.568 -8.487 302 HG SER 36 HG SER 36 7.117 -9.470 -7.787 303 H ALA 37 H ALA 37 5.782 -10.952 -5.556 304 HA ALA 37 HA ALA 37 3.475 -9.520 -4.577 305 HB1 ALA 37 3HB ALA 37 2.555 -11.179 -3.163 306 HB2 ALA 37 1HB ALA 37 3.904 -12.280 -3.448 307 HB3 ALA 37 2HB ALA 37 2.747 -11.953 -4.736 308 H ASN 38 H ASN 38 5.659 -11.842 -2.974 309 HA ASN 38 HA ASN 38 6.183 -10.191 -0.784 310 HB2 ASN 38 1HB ASN 38 6.574 -12.562 -0.668 311 HB3 ASN 38 2HB ASN 38 7.868 -12.439 -1.859 312 HD21 ASN 38 2HD2 ASN 38 6.957 -10.918 1.310 313 HD22 ASN 38 1HD2 ASN 38 8.543 -10.888 1.908 314 H LYS 39 H LYS 39 7.716 -10.262 -3.921 315 HA LYS 39 HA LYS 39 10.129 -9.003 -3.237 316 HB2 LYS 39 1HB LYS 39 8.499 -8.851 -5.768 317 HB3 LYS 39 2HB LYS 39 10.105 -8.143 -5.584 318 HG2 LYS 39 1HG LYS 39 11.019 -10.350 -4.982 319 HG3 LYS 39 2HG LYS 39 9.420 -11.067 -5.185 320 HD2 LYS 39 1HD LYS 39 9.390 -10.398 -7.530 321 HD3 LYS 39 2HD LYS 39 10.951 -9.605 -7.343 322 HE2 LYS 39 1HE LYS 39 11.277 -11.815 -8.343 323 HE3 LYS 39 2HE LYS 39 11.963 -11.787 -6.719 324 HZ1 LYS 39 3HZ LYS 39 10.544 -13.329 -6.039 325 HZ2 LYS 39 1HZ LYS 39 10.149 -13.585 -7.668 326 HZ3 LYS 39 2HZ LYS 39 9.207 -12.536 -6.719 327 H ALA 40 H ALA 40 6.891 -7.773 -3.782 328 HA ALA 40 HA ALA 40 7.568 -4.984 -3.723 329 HB1 ALA 40 3HB ALA 40 5.222 -4.602 -3.523 330 HB2 ALA 40 1HB ALA 40 4.937 -6.251 -2.966 331 HB3 ALA 40 2HB ALA 40 5.437 -5.960 -4.634 332 H SER 41 H SER 41 6.957 -3.481 -1.919 333 HA SER 41 HA SER 41 7.576 -4.792 0.686 334 HB2 SER 41 1HB SER 41 8.294 -2.611 1.434 335 HB3 SER 41 2HB SER 41 9.085 -2.970 -0.102 336 HG SER 41 HG SER 41 7.251 -1.809 -1.061 337 H LEU 42 H LEU 42 5.514 -2.275 -0.744 338 HA LEU 42 HA LEU 42 3.497 -2.842 1.363 339 HB2 LEU 42 1HB LEU 42 4.916 -0.663 1.513 340 HB3 LEU 42 2HB LEU 42 3.947 -0.114 0.159 341 HG LEU 42 HG LEU 42 2.807 0.717 2.043 342 HD11 LEU 42 1HD1 LEU 42 0.724 -0.469 2.147 343 HD12 LEU 42 2HD1 LEU 42 1.440 -1.940 1.591 344 HD13 LEU 42 3HD1 LEU 42 1.299 -0.558 0.498 345 HD21 LEU 42 3HD2 LEU 42 4.148 -0.795 3.651 346 HD22 LEU 42 1HD2 LEU 42 2.857 -1.968 3.408 347 HD23 LEU 42 2HD2 LEU 42 2.495 -0.397 4.107 348 H CYS 43 H CYS 43 1.706 -3.551 0.500 349 HA CYS 43 HA CYS 43 1.017 -3.089 -2.310 350 HB2 CYS 43 1HB CYS 43 -0.215 -4.789 -0.130 351 HB3 CYS 43 2HB CYS 43 -0.888 -4.646 -1.752 352 HG CYS 43 HG CYS 43 0.954 -6.700 -1.286 353 H ILE 44 H ILE 44 -0.820 -1.944 -2.949 354 HA ILE 44 HA ILE 44 -1.948 -0.150 -0.886 355 HB ILE 44 HB ILE 44 -2.118 -0.047 -3.905 356 HG12 ILE 44 1HG1 ILE 44 0.148 0.421 -3.077 357 HG13 ILE 44 2HG1 ILE 44 -0.601 1.894 -3.684 358 HG21 ILE 44 1HG2 ILE 44 -4.065 1.009 -3.097 359 HG22 ILE 44 2HG2 ILE 44 -2.927 2.332 -3.358 360 HG23 ILE 44 3HG2 ILE 44 -3.214 1.725 -1.728 361 HD11 ILE 44 3HD1 ILE 44 -1.342 2.196 -1.145 362 HD12 ILE 44 1HD1 ILE 44 0.278 2.651 -1.663 363 HD13 ILE 44 2HD1 ILE 44 0.014 1.113 -0.852 364 H SER 45 H SER 45 -3.721 -0.796 0.033 365 HA SER 45 HA SER 45 -6.007 -1.603 -1.549 366 HB2 SER 45 1HB SER 45 -4.757 -3.506 0.444 367 HB3 SER 45 2HB SER 45 -6.350 -3.717 -0.282 368 HG SER 45 HG SER 45 -5.365 -4.503 -1.954 369 H THR 46 H THR 46 -7.957 -1.399 -0.421 370 HA THR 46 HA THR 46 -7.783 0.275 1.979 371 HB THR 46 HB THR 46 -9.979 0.976 1.467 372 HG1 THR 46 HG1 THR 46 -10.464 -1.425 0.990 373 HG21 THR 46 3HG2 THR 46 -9.864 1.621 -0.874 374 HG22 THR 46 1HG2 THR 46 -8.714 0.326 -1.211 375 HG23 THR 46 2HG2 THR 46 -8.239 1.684 -0.191 376 H LYS 47 H LYS 47 -9.440 -0.097 3.690 377 HA LYS 47 HA LYS 47 -9.208 -2.669 4.798 378 HB2 LYS 47 1HB LYS 47 -9.653 -0.476 5.999 379 HB3 LYS 47 2HB LYS 47 -11.298 -0.565 5.395 380 HG2 LYS 47 1HG LYS 47 -11.385 -1.443 7.575 381 HG3 LYS 47 2HG LYS 47 -11.477 -2.824 6.507 382 HD2 LYS 47 1HD LYS 47 -9.726 -3.736 7.662 383 HD3 LYS 47 2HD LYS 47 -8.699 -2.506 6.949 384 HE2 LYS 47 1HE LYS 47 -8.519 -1.356 8.921 385 HE3 LYS 47 2HE LYS 47 -10.202 -1.588 9.337 386 HZ1 LYS 47 3HZ LYS 47 -8.032 -3.584 9.594 387 HZ2 LYS 47 1HZ LYS 47 -9.670 -3.907 9.898 388 HZ3 LYS 47 2HZ LYS 47 -8.831 -2.785 10.862 389 H LYS 48 H LYS 48 -11.672 -1.081 2.874 390 HA LYS 48 HA LYS 48 -13.732 -2.991 3.068 391 HB2 LYS 48 1HB LYS 48 -13.059 -1.329 0.631 392 HB3 LYS 48 2HB LYS 48 -14.638 -1.952 1.092 393 HG2 LYS 48 1HG LYS 48 -13.085 0.029 2.777 394 HG3 LYS 48 2HG LYS 48 -14.272 0.512 1.576 395 HD2 LYS 48 1HD LYS 48 -16.005 -0.787 2.785 396 HD3 LYS 48 2HD LYS 48 -14.811 -1.232 4.005 397 HE2 LYS 48 1HE LYS 48 -14.449 1.127 4.549 398 HE3 LYS 48 2HE LYS 48 -15.600 1.607 3.303 399 HZ1 LYS 48 3HZ LYS 48 -17.368 0.803 4.505 400 HZ2 LYS 48 1HZ LYS 48 -16.376 1.403 5.739 401 HZ3 LYS 48 2HZ LYS 48 -16.421 -0.265 5.426 402 H GLU 49 H GLU 49 -10.661 -3.265 1.696 403 HA GLU 49 HA GLU 49 -11.452 -5.434 -0.140 404 HB2 GLU 49 1HB GLU 49 -8.881 -3.843 0.060 405 HB3 GLU 49 2HB GLU 49 -9.154 -5.181 -1.054 406 HG2 GLU 49 1HG GLU 49 -10.879 -2.695 -0.946 407 HG3 GLU 49 2HG GLU 49 -9.546 -2.921 -2.079 408 H VAL 50 H VAL 50 -9.413 -4.590 2.600 409 HA VAL 50 HA VAL 50 -8.064 -7.077 2.820 410 HB VAL 50 HB VAL 50 -8.668 -5.011 4.944 411 HG11 VAL 50 1HG1 VAL 50 -8.086 -7.108 5.992 412 HG12 VAL 50 2HG1 VAL 50 -6.681 -6.048 6.077 413 HG13 VAL 50 3HG1 VAL 50 -6.739 -7.338 4.877 414 HG21 VAL 50 3HG2 VAL 50 -6.537 -4.064 4.419 415 HG22 VAL 50 1HG2 VAL 50 -7.325 -4.323 2.865 416 HG23 VAL 50 2HG2 VAL 50 -6.089 -5.449 3.424 417 H GLU 51 H GLU 51 -11.038 -5.792 4.251 418 HA GLU 51 HA GLU 51 -11.576 -7.884 6.056 419 HB2 GLU 51 1HB GLU 51 -13.455 -6.063 4.530 420 HB3 GLU 51 2HB GLU 51 -13.936 -7.085 5.891 421 HG2 GLU 51 1HG GLU 51 -11.719 -5.045 6.040 422 HG3 GLU 51 2HG GLU 51 -13.374 -4.692 6.524 423 H LYS 52 H LYS 52 -11.917 -7.624 2.634 424 HA LYS 52 HA LYS 52 -13.824 -9.643 2.153 425 HB2 LYS 52 1HB LYS 52 -11.475 -8.846 0.426 426 HB3 LYS 52 2HB LYS 52 -12.956 -9.623 -0.106 427 HG2 LYS 52 1HG LYS 52 -12.841 -6.890 1.197 428 HG3 LYS 52 2HG LYS 52 -12.948 -7.169 -0.533 429 HD2 LYS 52 1HD LYS 52 -15.046 -8.592 0.041 430 HD3 LYS 52 2HD LYS 52 -14.972 -7.781 1.603 431 HE2 LYS 52 1HE LYS 52 -15.305 -5.654 0.645 432 HE3 LYS 52 2HE LYS 52 -15.029 -6.245 -0.991 433 HZ1 LYS 52 3HZ LYS 52 -17.152 -6.811 -1.152 434 HZ2 LYS 52 1HZ LYS 52 -17.440 -6.041 0.331 435 HZ3 LYS 52 2HZ LYS 52 -17.095 -7.704 0.291 436 H MET 53 H MET 53 -10.285 -9.730 2.400 437 HA MET 53 HA MET 53 -8.807 -11.477 2.583 438 HB2 MET 53 1HB MET 53 -11.235 -12.692 3.919 439 HB3 MET 53 2HB MET 53 -9.649 -13.463 3.890 440 HG2 MET 53 1HG MET 53 -10.013 -10.638 4.882 441 HG3 MET 53 2HG MET 53 -10.192 -12.023 5.951 442 HE1 MET 53 3HE MET 53 -7.501 -9.504 4.561 443 HE2 MET 53 1HE MET 53 -6.617 -9.940 6.029 444 HE3 MET 53 2HE MET 53 -8.341 -9.589 6.109 445 H SER 54 H SER 54 -9.860 -11.211 0.092 446 HA SER 54 HA SER 54 -10.986 -13.658 -0.897 447 HB2 SER 54 1HB SER 54 -9.662 -11.352 -2.345 448 HB3 SER 54 2HB SER 54 -10.494 -12.688 -3.132 449 HG SER 54 HG SER 54 -12.082 -11.267 -2.897 450 H LYS 55 H LYS 55 -9.727 -14.624 -2.925 451 HA LYS 55 HA LYS 55 -7.548 -16.082 -1.885 452 HB2 LYS 55 1HB LYS 55 -8.490 -15.649 -4.728 453 HB3 LYS 55 2HB LYS 55 -7.233 -16.802 -4.276 454 HG2 LYS 55 1HG LYS 55 -8.812 -17.948 -2.776 455 HG3 LYS 55 2HG LYS 55 -10.066 -16.784 -3.197 456 HD2 LYS 55 1HD LYS 55 -9.896 -17.493 -5.573 457 HD3 LYS 55 2HD LYS 55 -8.704 -18.708 -5.105 458 HE2 LYS 55 1HE LYS 55 -11.541 -18.552 -4.047 459 HE3 LYS 55 2HE LYS 55 -10.975 -19.686 -5.271 460 HZ1 LYS 55 3HZ LYS 55 -10.578 -20.987 -3.509 461 HZ2 LYS 55 1HZ LYS 55 -10.557 -19.698 -2.409 462 HZ3 LYS 55 2HZ LYS 55 -9.173 -20.050 -3.330 463 H LYS 56 H LYS 56 -7.675 -13.249 -4.005 464 HA LYS 56 HA LYS 56 -4.930 -13.085 -4.583 465 HB2 LYS 56 1HB LYS 56 -7.079 -10.964 -4.455 466 HB3 LYS 56 2HB LYS 56 -5.441 -10.657 -5.019 467 HG2 LYS 56 1HG LYS 56 -6.591 -11.091 -7.020 468 HG3 LYS 56 2HG LYS 56 -5.866 -12.653 -6.652 469 HD2 LYS 56 1HD LYS 56 -7.952 -13.489 -5.765 470 HD3 LYS 56 2HD LYS 56 -8.687 -11.889 -5.836 471 HE2 LYS 56 1HE LYS 56 -7.627 -13.246 -8.318 472 HE3 LYS 56 2HE LYS 56 -9.266 -13.534 -7.734 473 HZ1 LYS 56 3HZ LYS 56 -9.554 -11.072 -7.729 474 HZ2 LYS 56 1HZ LYS 56 -9.364 -11.752 -9.274 475 HZ3 LYS 56 2HZ LYS 56 -8.065 -10.943 -8.534 476 H MET 57 H MET 57 -6.917 -11.804 -1.964 477 HA MET 57 HA MET 57 -4.977 -10.221 -0.683 478 HB2 MET 57 1HB MET 57 -7.648 -10.829 -0.284 479 HB3 MET 57 2HB MET 57 -6.895 -11.614 1.096 480 HG2 MET 57 1HG MET 57 -6.758 -8.685 0.321 481 HG3 MET 57 2HG MET 57 -7.443 -9.376 1.783 482 HE1 MET 57 3HE MET 57 -6.331 -10.876 3.194 483 HE2 MET 57 1HE MET 57 -4.891 -10.309 4.043 484 HE3 MET 57 2HE MET 57 -4.756 -11.529 2.781 485 H GLU 58 H GLU 58 -5.803 -13.654 -0.385 486 HA GLU 58 HA GLU 58 -4.131 -14.273 1.781 487 HB2 GLU 58 1HB GLU 58 -4.987 -15.973 -0.571 488 HB3 GLU 58 2HB GLU 58 -4.160 -16.599 0.851 489 HG2 GLU 58 1HG GLU 58 -6.792 -15.105 0.926 490 HG3 GLU 58 2HG GLU 58 -6.641 -16.857 0.978 491 H GLU 59 H GLU 59 -3.443 -13.984 -1.683 492 HA GLU 59 HA GLU 59 -0.861 -15.115 -1.691 493 HB2 GLU 59 1HB GLU 59 -1.847 -12.771 -3.334 494 HB3 GLU 59 2HB GLU 59 -0.520 -13.849 -3.738 495 HG2 GLU 59 1HG GLU 59 -3.229 -15.061 -3.233 496 HG3 GLU 59 2HG GLU 59 -2.961 -14.239 -4.750 497 H VAL 60 H VAL 60 -1.977 -11.798 -1.145 498 HA VAL 60 HA VAL 60 0.579 -10.612 -0.770 499 HB VAL 60 HB VAL 60 -2.133 -9.803 0.338 500 HG11 VAL 60 1HG1 VAL 60 0.289 -8.059 -0.154 501 HG12 VAL 60 2HG1 VAL 60 -0.109 -8.717 1.433 502 HG13 VAL 60 3HG1 VAL 60 -1.212 -7.601 0.639 503 HG21 VAL 60 3HG2 VAL 60 -0.672 -8.983 -2.191 504 HG22 VAL 60 1HG2 VAL 60 -2.200 -8.304 -1.629 505 HG23 VAL 60 2HG2 VAL 60 -2.111 -9.998 -2.112 506 H LYS 61 H LYS 61 -1.807 -11.947 1.500 507 HA LYS 61 HA LYS 61 -0.389 -11.407 3.878 508 HB2 LYS 61 1HB LYS 61 -2.757 -11.944 3.844 509 HB3 LYS 61 2HB LYS 61 -2.422 -13.568 3.264 510 HG2 LYS 61 1HG LYS 61 -1.129 -14.005 5.367 511 HG3 LYS 61 2HG LYS 61 -1.541 -12.388 5.928 512 HD2 LYS 61 1HD LYS 61 -3.641 -14.419 5.144 513 HD3 LYS 61 2HD LYS 61 -3.016 -14.312 6.787 514 HE2 LYS 61 1HE LYS 61 -3.652 -11.813 6.676 515 HE3 LYS 61 2HE LYS 61 -4.572 -12.248 5.239 516 HZ1 LYS 61 3HZ LYS 61 -5.147 -14.116 7.224 517 HZ2 LYS 61 1HZ LYS 61 -6.188 -12.978 6.521 518 HZ3 LYS 61 2HZ LYS 61 -5.302 -12.570 7.913 519 H ALA 62 H ALA 62 -0.449 -14.295 1.815 520 HA ALA 62 HA ALA 62 1.380 -15.754 3.475 521 HB1 ALA 62 3HB ALA 62 0.555 -16.238 0.602 522 HB2 ALA 62 1HB ALA 62 -0.263 -16.889 2.023 523 HB3 ALA 62 2HB ALA 62 1.387 -17.387 1.650 524 H ALA 63 H ALA 63 1.715 -13.269 1.191 525 HA ALA 63 HA ALA 63 4.423 -14.032 0.381 526 HB1 ALA 63 3HB ALA 63 2.576 -11.779 -0.400 527 HB2 ALA 63 1HB ALA 63 3.157 -13.112 -1.393 528 HB3 ALA 63 2HB ALA 63 4.266 -11.834 -0.901 529 H ASN 64 H ASN 64 3.040 -12.619 3.011 530 HA ASN 64 HA ASN 64 3.820 -11.292 4.704 531 HB2 ASN 64 1HB ASN 64 6.350 -12.328 3.463 532 HB3 ASN 64 2HB ASN 64 6.432 -11.194 4.797 533 HD21 ASN 64 2HD2 ASN 64 3.987 -12.282 6.136 534 HD22 ASN 64 1HD2 ASN 64 4.448 -13.779 6.775 535 H VAL 65 H VAL 65 2.781 -9.728 2.904 536 HA VAL 65 HA VAL 65 4.701 -7.482 2.587 537 HB VAL 65 HB VAL 65 2.389 -8.218 0.786 538 HG11 VAL 65 1HG1 VAL 65 4.365 -5.934 0.827 539 HG12 VAL 65 2HG1 VAL 65 2.606 -5.852 0.724 540 HG13 VAL 65 3HG1 VAL 65 3.549 -6.418 -0.657 541 HG21 VAL 65 3HG2 VAL 65 4.368 -9.714 0.615 542 HG22 VAL 65 1HG2 VAL 65 5.367 -8.298 0.293 543 HG23 VAL 65 2HG2 VAL 65 4.104 -8.766 -0.849 544 H ARG 66 H ARG 66 4.123 -5.809 3.831 545 HA ARG 66 HA ARG 66 1.659 -5.801 5.254 546 HB2 ARG 66 1HB ARG 66 3.769 -4.759 6.101 547 HB3 ARG 66 2HB ARG 66 3.581 -3.498 4.898 548 HG2 ARG 66 1HG ARG 66 1.366 -2.919 5.851 549 HG3 ARG 66 2HG ARG 66 1.589 -4.160 7.086 550 HD2 ARG 66 1HD ARG 66 3.261 -1.692 6.652 551 HD3 ARG 66 2HD ARG 66 2.208 -2.008 8.010 552 HE ARG 66 HE ARG 66 3.831 -4.063 8.288 553 HH11 ARG 66 1HH2 ARG 66 4.595 -0.800 7.379 554 HH12 ARG 66 2HH2 ARG 66 6.172 -0.835 8.085 555 HH21 ARG 66 1HH1 ARG 66 5.905 -4.106 9.195 556 HH22 ARG 66 2HH1 ARG 66 6.916 -2.700 9.113 557 H VAL 67 H VAL 67 -0.052 -4.324 5.097 558 HA VAL 67 HA VAL 67 -0.511 -3.190 2.399 559 HB VAL 67 HB VAL 67 -2.359 -4.618 4.309 560 HG11 VAL 67 1HG1 VAL 67 -3.658 -2.748 3.562 561 HG12 VAL 67 2HG1 VAL 67 -4.140 -4.120 2.573 562 HG13 VAL 67 3HG1 VAL 67 -3.051 -2.899 1.912 563 HG21 VAL 67 3HG2 VAL 67 -2.586 -6.210 2.583 564 HG22 VAL 67 1HG2 VAL 67 -0.872 -5.804 2.539 565 HG23 VAL 67 2HG2 VAL 67 -1.975 -5.104 1.357 566 H VAL 68 H VAL 68 -1.144 -1.110 2.266 567 HA VAL 68 HA VAL 68 -2.072 0.286 4.707 568 HB VAL 68 HB VAL 68 0.440 0.740 4.089 569 HG11 VAL 68 1HG1 VAL 68 -0.474 1.322 1.596 570 HG12 VAL 68 2HG1 VAL 68 0.937 2.115 2.286 571 HG13 VAL 68 3HG1 VAL 68 -0.630 2.919 2.319 572 HG21 VAL 68 3HG2 VAL 68 -1.586 2.942 4.553 573 HG22 VAL 68 1HG2 VAL 68 0.151 3.118 4.803 574 HG23 VAL 68 2HG2 VAL 68 -0.775 1.982 5.787 575 H CYS 69 H CYS 69 -3.246 2.250 4.253 576 HA CYS 69 HA CYS 69 -5.045 1.875 2.053 577 HB2 CYS 69 1HB CYS 69 -6.378 3.470 3.099 578 HB3 CYS 69 2HB CYS 69 -5.455 2.848 4.464 579 HG CYS 69 HG CYS 69 -5.460 5.591 4.205 580 H GLU 70 H GLU 70 -5.524 3.419 0.452 581 HA GLU 70 HA GLU 70 -3.354 4.301 -1.082 582 HB2 GLU 70 1HB GLU 70 -5.562 3.719 -1.966 583 HB3 GLU 70 2HB GLU 70 -6.265 5.110 -1.149 584 HG2 GLU 70 1HG GLU 70 -4.874 6.623 -2.501 585 HG3 GLU 70 2HG GLU 70 -4.134 5.234 -3.304 586 H ASP 71 H ASP 71 -5.599 6.092 1.014 587 HA ASP 71 HA ASP 71 -4.846 8.684 0.507 588 HB2 ASP 71 1HB ASP 71 -6.623 7.880 2.141 589 HB3 ASP 71 2HB ASP 71 -5.317 7.658 3.308 590 H PHE 72 H PHE 72 -2.960 6.164 1.808 591 HA PHE 72 HA PHE 72 -1.103 7.538 3.408 592 HB2 PHE 72 1HB PHE 72 -1.192 5.081 3.288 593 HB3 PHE 72 2HB PHE 72 -0.629 5.144 1.616 594 HD1 PHE 72 HD2 PHE 72 1.646 5.996 1.079 595 HD2 PHE 72 HD1 PHE 72 0.335 5.458 5.138 596 HE1 PHE 72 HE2 PHE 72 3.993 6.115 1.855 597 HE2 PHE 72 HE1 PHE 72 2.688 5.604 5.917 598 HZ PHE 72 HZ PHE 72 4.517 5.930 4.273 599 H LEU 73 H LEU 73 -1.189 6.934 -0.090 600 HA LEU 73 HA LEU 73 1.335 7.978 -0.728 601 HB2 LEU 73 1HB LEU 73 -1.251 8.024 -2.313 602 HB3 LEU 73 2HB LEU 73 0.332 8.402 -2.985 603 HG LEU 73 HG LEU 73 -0.360 5.776 -1.643 604 HD11 LEU 73 1HD1 LEU 73 -0.620 4.811 -3.805 605 HD12 LEU 73 2HD1 LEU 73 -0.012 6.258 -4.611 606 HD13 LEU 73 3HD1 LEU 73 -1.590 6.282 -3.826 607 HD21 LEU 73 3HD2 LEU 73 1.957 5.881 -1.517 608 HD22 LEU 73 1HD2 LEU 73 2.107 6.906 -2.945 609 HD23 LEU 73 2HD2 LEU 73 1.781 5.183 -3.121 610 H GLN 74 H GLN 74 -1.814 9.541 -0.385 611 HA GLN 74 HA GLN 74 -0.966 12.158 -1.116 612 HB2 GLN 74 1HB GLN 74 -3.270 11.306 0.658 613 HB3 GLN 74 2HB GLN 74 -3.084 12.878 -0.119 614 HG2 GLN 74 1HG GLN 74 -3.301 10.227 -1.570 615 HG3 GLN 74 2HG GLN 74 -4.604 11.403 -1.400 616 HE21 GLN 74 2HE2 GLN 74 -2.268 10.395 -3.538 617 HE22 GLN 74 1HE2 GLN 74 -2.071 11.829 -4.423 618 H ASP 75 H ASP 75 -1.184 10.408 1.940 619 HA ASP 75 HA ASP 75 -0.701 12.574 3.672 620 HB2 ASP 75 1HB ASP 75 -0.183 9.617 3.962 621 HB3 ASP 75 2HB ASP 75 0.081 10.771 5.268 622 H VAL 76 H VAL 76 1.658 10.206 2.327 623 HA VAL 76 HA VAL 76 3.864 11.487 3.593 624 HB VAL 76 HB VAL 76 5.268 10.237 1.950 625 HG11 VAL 76 1HG1 VAL 76 4.748 8.059 2.861 626 HG12 VAL 76 2HG1 VAL 76 3.095 8.556 3.226 627 HG13 VAL 76 3HG1 VAL 76 4.448 9.268 4.106 628 HG21 VAL 76 3HG2 VAL 76 3.788 10.268 0.021 629 HG22 VAL 76 1HG2 VAL 76 2.556 9.376 0.909 630 HG23 VAL 76 2HG2 VAL 76 4.077 8.591 0.489 631 H SER 77 H SER 77 2.328 11.788 0.451 632 HA SER 77 HA SER 77 4.196 13.531 -0.754 633 HB2 SER 77 1HB SER 77 1.221 13.240 -1.187 634 HB3 SER 77 2HB SER 77 2.277 14.205 -2.211 635 HG SER 77 HG SER 77 2.857 11.507 -1.623 636 H ALA 78 H ALA 78 1.308 14.201 1.189 637 HA ALA 78 HA ALA 78 1.862 17.081 1.135 638 HB1 ALA 78 3HB ALA 78 -0.299 17.385 2.016 639 HB2 ALA 78 1HB ALA 78 -0.382 15.733 2.628 640 HB3 ALA 78 2HB ALA 78 -0.477 16.036 0.893 641 H SER 79 H SER 79 0.908 14.853 3.746 642 HA SER 79 HA SER 79 2.214 16.447 5.744 643 HB2 SER 79 1HB SER 79 0.945 13.710 5.779 644 HB3 SER 79 2HB SER 79 1.731 14.396 7.193 645 HG SER 79 HG SER 79 0.231 15.965 7.278 646 H ALA 80 H ALA 80 4.191 16.124 6.738 647 HA ALA 80 HA ALA 80 5.857 13.871 5.780 648 HB1 ALA 80 3HB ALA 80 6.677 16.784 5.849 649 HB2 ALA 80 1HB ALA 80 6.461 15.790 4.410 650 HB3 ALA 80 2HB ALA 80 7.769 15.435 5.540 651 H LYS 81 H LYS 81 4.996 13.266 8.013 652 HA LYS 81 HA LYS 81 6.784 14.330 10.124 653 HB2 LYS 81 1HB LYS 81 5.108 13.567 11.744 654 HB3 LYS 81 2HB LYS 81 4.432 14.734 10.614 655 HG2 LYS 81 1HG LYS 81 3.489 12.876 9.274 656 HG3 LYS 81 2HG LYS 81 4.123 11.725 10.454 657 HD2 LYS 81 1HD LYS 81 2.783 12.793 12.234 658 HD3 LYS 81 2HD LYS 81 2.148 13.948 11.061 659 HE2 LYS 81 1HE LYS 81 1.153 12.104 9.772 660 HE3 LYS 81 2HE LYS 81 1.803 10.942 10.930 661 HZ1 LYS 81 3HZ LYS 81 -0.630 11.982 11.114 662 HZ2 LYS 81 1HZ LYS 81 0.226 13.116 12.041 663 HZ3 LYS 81 2HZ LYS 81 0.265 11.469 12.466 664 H SER 82 H SER 82 5.984 12.028 11.799 665 HA SER 82 HA SER 82 8.205 10.390 11.180 666 HB2 SER 82 1HB SER 82 7.480 10.547 13.456 667 HB3 SER 82 2HB SER 82 5.876 9.952 13.050 668 HG SER 82 HG SER 82 6.628 7.976 13.015 669 H LEU 83 H LEU 83 8.460 8.698 9.948 670 HA LEU 83 HA LEU 83 6.504 7.819 8.082 671 HB2 LEU 83 1HB LEU 83 9.109 6.613 9.045 672 HB3 LEU 83 2HB LEU 83 8.196 6.004 7.670 673 HG LEU 83 HG LEU 83 8.961 8.921 7.749 674 HD11 LEU 83 1HD1 LEU 83 11.073 8.361 6.606 675 HD12 LEU 83 2HD1 LEU 83 10.736 6.644 6.824 676 HD13 LEU 83 3HD1 LEU 83 11.024 7.670 8.229 677 HD21 LEU 83 3HD2 LEU 83 8.852 6.995 5.410 678 HD22 LEU 83 1HD2 LEU 83 8.797 8.756 5.369 679 HD23 LEU 83 2HD2 LEU 83 7.419 7.845 5.981 680 H GLN 84 H GLN 84 7.829 6.560 11.045 681 HA GLN 84 HA GLN 84 6.522 4.070 11.117 682 HB2 GLN 84 1HB GLN 84 7.762 5.877 13.185 683 HB3 GLN 84 2HB GLN 84 6.971 4.374 13.663 684 HG2 GLN 84 1HG GLN 84 9.380 4.042 13.289 685 HG3 GLN 84 2HG GLN 84 8.417 3.114 12.146 686 HE21 GLN 84 2HE2 GLN 84 8.783 3.485 9.938 687 HE22 GLN 84 1HE2 GLN 84 9.769 4.732 9.337 688 H GLU 85 H GLU 85 5.606 7.241 12.404 689 HA GLU 85 HA GLU 85 3.295 6.331 13.776 690 HB2 GLU 85 1HB GLU 85 4.407 8.534 14.180 691 HB3 GLU 85 2HB GLU 85 3.774 9.088 12.628 692 HG2 GLU 85 1HG GLU 85 1.474 8.664 13.399 693 HG3 GLU 85 2HG GLU 85 2.097 8.087 14.944 694 H LEU 86 H LEU 86 3.842 7.505 10.480 695 HA LEU 86 HA LEU 86 1.135 7.702 9.722 696 HB2 LEU 86 1HB LEU 86 3.646 7.173 8.127 697 HB3 LEU 86 2HB LEU 86 2.075 7.391 7.369 698 HG LEU 86 HG LEU 86 3.321 9.438 9.232 699 HD11 LEU 86 1HD1 LEU 86 4.829 9.329 7.397 700 HD12 LEU 86 2HD1 LEU 86 3.740 10.657 6.997 701 HD13 LEU 86 3HD1 LEU 86 3.522 9.080 6.236 702 HD21 LEU 86 3HD2 LEU 86 0.987 9.868 9.050 703 HD22 LEU 86 1HD2 LEU 86 0.949 9.408 7.352 704 HD23 LEU 86 2HD2 LEU 86 1.708 10.922 7.842 705 H LEU 87 H LEU 87 3.423 4.991 9.481 706 HA LEU 87 HA LEU 87 1.356 3.291 8.338 707 HB2 LEU 87 1HB LEU 87 3.060 1.605 8.139 708 HB3 LEU 87 2HB LEU 87 3.726 3.142 7.606 709 HG LEU 87 HG LEU 87 4.445 3.242 10.229 710 HD11 LEU 87 1HD1 LEU 87 3.578 1.040 10.822 711 HD12 LEU 87 2HD1 LEU 87 5.338 1.003 10.853 712 HD13 LEU 87 3HD1 LEU 87 4.467 0.307 9.489 713 HD21 LEU 87 3HD2 LEU 87 5.907 1.891 7.951 714 HD22 LEU 87 1HD2 LEU 87 6.671 2.308 9.486 715 HD23 LEU 87 2HD2 LEU 87 6.028 3.580 8.447 716 H SER 88 H SER 88 2.212 4.286 11.408 717 HA SER 88 HA SER 88 1.838 1.915 12.918 718 HB2 SER 88 1HB SER 88 2.785 3.973 13.909 719 HB3 SER 88 2HB SER 88 1.229 4.773 13.714 720 HG SER 88 HG SER 88 1.035 3.977 15.689 721 H ALA 89 H ALA 89 -0.381 4.441 11.790 722 HA ALA 89 HA ALA 89 -2.689 2.873 12.805 723 HB1 ALA 89 3HB ALA 89 -2.539 5.726 11.814 724 HB2 ALA 89 1HB ALA 89 -2.526 5.226 13.506 725 HB3 ALA 89 2HB ALA 89 -3.958 4.944 12.512 726 H HIS 90 H HIS 90 -1.520 4.508 9.866 727 HA HIS 90 HA HIS 90 -3.717 3.938 8.236 728 HB2 HIS 90 1HB HIS 90 -0.810 4.206 7.444 729 HB3 HIS 90 2HB HIS 90 -2.181 4.286 6.339 730 HD1 HIS 90 HD1 HIS 90 -4.029 5.928 8.386 731 HD2 HIS 90 HD2 HIS 90 -0.180 6.955 7.163 732 HE1 HIS 90 HE1 HIS 90 -3.820 8.436 8.698 733 HE2 HIS 90 HE2 HIS 90 -1.464 9.070 7.983 734 H SER 91 H SER 91 -0.820 1.982 8.872 735 HA SER 91 HA SER 91 -1.221 -0.014 6.995 736 HB2 SER 91 1HB SER 91 -0.098 -0.279 9.770 737 HB3 SER 91 2HB SER 91 0.046 -1.477 8.501 738 HG SER 91 HG SER 91 1.033 0.275 7.242 739 H LEU 92 H LEU 92 -3.150 -0.733 6.740 740 HA LEU 92 HA LEU 92 -5.043 -1.363 8.738 741 HB2 LEU 92 1HB LEU 92 -4.849 -2.546 5.951 742 HB3 LEU 92 2HB LEU 92 -6.294 -2.415 6.951 743 HG LEU 92 HG LEU 92 -4.734 0.039 6.084 744 HD11 LEU 92 1HD1 LEU 92 -6.506 0.265 4.311 745 HD12 LEU 92 2HD1 LEU 92 -7.021 -1.379 4.683 746 HD13 LEU 92 3HD1 LEU 92 -5.407 -1.085 4.036 747 HD21 LEU 92 3HD2 LEU 92 -7.589 -0.447 7.000 748 HD22 LEU 92 1HD2 LEU 92 -6.958 1.110 6.476 749 HD23 LEU 92 2HD2 LEU 92 -6.326 0.353 7.934 750 H SER 93 H SER 93 -2.454 -3.134 7.142 751 HA SER 93 HA SER 93 -3.192 -5.657 8.470 752 HB2 SER 93 1HB SER 93 -1.152 -6.500 7.232 753 HB3 SER 93 2HB SER 93 -2.476 -5.924 6.225 754 HG SER 93 HG SER 93 -0.864 -3.888 6.905 755 H SER 94 H SER 94 -1.424 -6.927 9.472 756 HA SER 94 HA SER 94 0.466 -5.273 11.047 757 HB2 SER 94 1HB SER 94 -1.660 -6.112 12.302 758 HB3 SER 94 2HB SER 94 -0.899 -7.698 12.212 759 HG SER 94 HG SER 94 0.757 -6.981 13.427 760 H TRP 95 H TRP 95 0.827 -6.777 8.593 761 HA TRP 95 HA TRP 95 2.925 -8.648 9.500 762 HB2 TRP 95 1HB TRP 95 2.250 -10.350 7.961 763 HB3 TRP 95 2HB TRP 95 0.824 -9.904 8.900 764 HD1 TRP 95 HD1 TRP 95 2.443 -9.146 5.477 765 HE1 TRP 95 HE1 TRP 95 0.560 -8.597 3.806 766 HE3 TRP 95 HE3 TRP 95 -1.570 -9.273 8.619 767 HZ2 TRP 95 HZ2 TRP 95 -2.290 -8.264 3.806 768 HZ3 TRP 95 HZ3 TRP 95 -3.855 -8.839 7.768 769 HH2 TRP 95 HH2 TRP 95 -4.222 -8.334 5.368 770 H GLY 96 H GLY 96 4.425 -9.204 7.708 771 HA2 GLY 96 1HA GLY 96 4.886 -8.250 5.294 772 HA3 GLY 96 2HA GLY 96 5.070 -6.762 6.215 773 H ALA 97 H ALA 97 6.108 -10.140 6.243 774 HA ALA 97 HA ALA 97 8.350 -10.900 6.098 775 HB1 ALA 97 3HB ALA 97 9.258 -8.515 7.700 776 HB2 ALA 97 1HB ALA 97 9.137 -8.452 5.940 777 HB3 ALA 97 2HB ALA 97 10.218 -9.610 6.709 778 H GLU 98 H GLU 98 6.327 -11.611 7.729 779 HA GLU 98 HA GLU 98 7.241 -11.645 10.504 780 HB2 GLU 98 1HB GLU 98 4.762 -11.538 9.396 781 HB3 GLU 98 2HB GLU 98 4.899 -13.276 9.629 782 HG2 GLU 98 1HG GLU 98 3.892 -12.353 11.620 783 HG3 GLU 98 2HG GLU 98 5.540 -12.811 12.041 784 H VAL 99 H VAL 99 6.473 -14.123 11.334 785 HA VAL 99 HA VAL 99 8.700 -15.738 10.681 786 HB VAL 99 HB VAL 99 7.672 -17.402 12.137 787 HG11 VAL 99 1HG1 VAL 99 7.169 -14.590 13.161 788 HG12 VAL 99 2HG1 VAL 99 8.737 -15.402 13.167 789 HG13 VAL 99 3HG1 VAL 99 7.412 -16.029 14.153 790 HG21 VAL 99 3HG2 VAL 99 5.379 -16.839 13.100 791 HG22 VAL 99 1HG2 VAL 99 5.382 -17.355 11.412 792 HG23 VAL 99 2HG2 VAL 99 5.227 -15.644 11.810 793 H LYS 100 H LYS 100 8.814 -17.643 9.514 794 HA LYS 100 HA LYS 100 6.595 -18.136 7.604 795 HB2 LYS 100 1HB LYS 100 8.336 -18.807 6.009 796 HB3 LYS 100 2HB LYS 100 8.547 -17.142 6.548 797 HG2 LYS 100 1HG LYS 100 10.100 -18.253 8.392 798 HG3 LYS 100 2HG LYS 100 10.168 -19.579 7.236 799 HD2 LYS 100 1HD LYS 100 11.977 -18.301 6.524 800 HD3 LYS 100 2HD LYS 100 10.704 -17.646 5.499 801 HE2 LYS 100 1HE LYS 100 10.354 -15.790 7.082 802 HE3 LYS 100 2HE LYS 100 11.585 -16.459 8.155 803 HZ1 LYS 100 3HZ LYS 100 12.756 -14.911 6.950 804 HZ2 LYS 100 1HZ LYS 100 11.906 -15.205 5.515 805 HZ3 LYS 100 2HZ LYS 100 13.063 -16.325 6.059 806 H HIS 101 H HIS 101 5.698 -20.043 7.669 807 HA HIS 101 HA HIS 101 5.186 -22.103 8.655 808 HB2 HIS 101 1HB HIS 101 7.659 -22.675 7.006 809 HB3 HIS 101 2HB HIS 101 6.453 -23.862 7.503 810 HD1 HIS 101 HD1 HIS 101 7.221 -21.565 4.809 811 HD2 HIS 101 HD2 HIS 101 3.727 -23.108 6.473 812 HE1 HIS 101 HE1 HIS 101 5.390 -21.192 3.101 813 HE2 HIS 101 HE2 HIS 101 3.249 -22.113 4.108 814 H HIS 102 H HIS 102 6.463 -20.726 10.649 815 HA HIS 102 HA HIS 102 8.794 -21.930 11.681 816 HB2 HIS 102 1HB HIS 102 7.979 -19.754 12.447 817 HB3 HIS 102 2HB HIS 102 6.550 -20.520 13.141 818 HD1 HIS 102 HD1 HIS 102 10.315 -21.198 13.375 819 HD2 HIS 102 HD2 HIS 102 6.960 -20.886 15.829 820 HE1 HIS 102 HE1 HIS 102 11.113 -21.641 15.738 821 HE2 HIS 102 HE2 HIS 102 9.078 -21.457 17.244 822 H HIS 103 H HIS 103 5.349 -22.539 12.441 823 HA HIS 103 HA HIS 103 6.007 -25.299 13.127 824 HB2 HIS 103 1HB HIS 103 5.066 -23.274 15.154 825 HB3 HIS 103 2HB HIS 103 4.714 -24.988 15.354 826 HD1 HIS 103 HD1 HIS 103 7.057 -22.668 16.499 827 HD2 HIS 103 HD2 HIS 103 7.460 -26.462 14.809 828 HE1 HIS 103 HE1 HIS 103 9.331 -23.538 17.214 829 HE2 HIS 103 HE2 HIS 103 9.584 -25.850 16.197 830 H HIS 104 H HIS 104 4.147 -26.619 13.472 831 HA HIS 104 HA HIS 104 2.099 -27.435 12.872 832 HB2 HIS 104 1HB HIS 104 1.410 -25.821 14.607 833 HB3 HIS 104 2HB HIS 104 1.221 -24.584 13.365 834 HD1 HIS 104 HD1 HIS 104 0.218 -27.551 11.733 835 HD2 HIS 104 HD2 HIS 104 -1.597 -25.132 14.608 836 HE1 HIS 104 HE1 HIS 104 -2.263 -28.066 11.643 837 HE2 HIS 104 HE2 HIS 104 -3.381 -26.590 13.384 838 H HIS 105 H HIS 105 0.681 -24.595 11.684 839 HA HIS 105 HA HIS 105 1.505 -25.024 8.908 840 HB2 HIS 105 1HB HIS 105 -0.778 -25.387 8.125 841 HB3 HIS 105 2HB HIS 105 -0.335 -26.640 9.281 842 HD1 HIS 105 HD1 HIS 105 -3.304 -26.037 8.880 843 HD2 HIS 105 HD2 HIS 105 -0.979 -24.095 11.754 844 HE1 HIS 105 HE1 HIS 105 -4.908 -25.148 10.628 845 HE2 HIS 105 HE2 HIS 105 -3.504 -23.972 12.390 846 H HIS 106 H HIS 106 0.410 -23.436 7.438 847 HA HIS 106 HA HIS 106 0.764 -20.808 8.376 848 HB2 HIS 106 1HB HIS 106 -0.539 -20.218 6.228 849 HB3 HIS 106 2HB HIS 106 0.967 -21.123 6.045 850 HD1 HIS 106 HD1 HIS 106 -2.783 -21.745 6.248 851 HD2 HIS 106 HD2 HIS 106 0.659 -23.579 4.776 852 HE1 HIS 106 HE1 HIS 106 -3.554 -23.797 4.979 853 HE2 HIS 106 HE2 HIS 106 -1.466 -24.920 4.065 Start of MODEL 4 1 H1 MET 1 1H MET 1 9.413 13.707 2.656 2 H2 MET 1 2H MET 1 8.597 13.547 1.173 3 H3 MET 1 3H MET 1 8.948 15.091 1.793 4 HA MET 1 HA MET 1 10.477 14.526 0.008 5 HB2 MET 1 1HB MET 1 11.644 14.570 2.809 6 HB3 MET 1 2HB MET 1 12.588 14.818 1.339 7 HG2 MET 1 1HG MET 1 11.161 16.740 0.740 8 HG3 MET 1 2HG MET 1 10.232 16.507 2.220 9 HE1 MET 1 3HE MET 1 10.897 18.997 3.567 10 HE2 MET 1 1HE MET 1 10.887 18.989 1.799 11 HE3 MET 1 2HE MET 1 12.209 19.758 2.673 12 H LYS 2 H LYS 2 11.645 12.963 -1.022 13 HA LYS 2 HA LYS 2 11.896 10.702 -1.617 14 HB2 LYS 2 1HB LYS 2 13.943 9.846 -0.570 15 HB3 LYS 2 2HB LYS 2 14.105 11.541 -1.004 16 HG2 LYS 2 1HG LYS 2 13.086 11.168 1.748 17 HG3 LYS 2 2HG LYS 2 14.661 10.445 1.517 18 HD2 LYS 2 1HD LYS 2 14.159 13.257 0.545 19 HD3 LYS 2 2HD LYS 2 14.495 12.959 2.249 20 HE2 LYS 2 1HE LYS 2 16.258 11.954 -0.001 21 HE3 LYS 2 2HE LYS 2 16.548 13.465 0.861 22 HZ1 LYS 2 3HZ LYS 2 16.111 11.440 2.745 23 HZ2 LYS 2 1HZ LYS 2 17.537 12.315 2.456 24 HZ3 LYS 2 2HZ LYS 2 17.247 10.867 1.619 25 HA PRO 3 HA PRO 3 9.588 8.747 1.911 26 HB2 PRO 3 1HB PRO 3 7.087 8.680 0.938 27 HB3 PRO 3 2HB PRO 3 7.769 10.160 1.640 28 HG2 PRO 3 1HG PRO 3 7.387 9.444 -1.227 29 HG3 PRO 3 2HG PRO 3 7.188 11.005 -0.421 30 HD2 PRO 3 1HD PRO 3 9.466 10.185 -1.876 31 HD3 PRO 3 2HD PRO 3 9.392 11.554 -0.749 32 H LEU 4 H LEU 4 8.486 8.072 -1.428 33 HA LEU 4 HA LEU 4 8.470 5.193 -0.892 34 HB2 LEU 4 1HB LEU 4 7.362 7.001 -3.018 35 HB3 LEU 4 2HB LEU 4 7.500 5.280 -3.335 36 HG LEU 4 HG LEU 4 5.253 6.017 -2.463 37 HD11 LEU 4 1HD1 LEU 4 4.891 4.055 -1.334 38 HD12 LEU 4 2HD1 LEU 4 6.380 4.165 -0.402 39 HD13 LEU 4 3HD1 LEU 4 6.431 3.668 -2.092 40 HD21 LEU 4 3HD2 LEU 4 5.037 6.474 -0.051 41 HD22 LEU 4 1HD2 LEU 4 5.988 7.705 -0.865 42 HD23 LEU 4 2HD2 LEU 4 6.786 6.478 0.112 43 H SER 5 H SER 5 10.719 7.378 -2.058 44 HA SER 5 HA SER 5 11.732 6.053 -4.339 45 HB2 SER 5 1HB SER 5 13.664 7.475 -4.091 46 HB3 SER 5 2HB SER 5 12.209 8.399 -3.736 47 HG SER 5 HG SER 5 14.312 7.779 -2.136 48 H ASN 6 H ASN 6 12.032 5.254 -1.023 49 HA ASN 6 HA ASN 6 14.431 3.588 -1.537 50 HB2 ASN 6 1HB ASN 6 14.671 3.530 0.898 51 HB3 ASN 6 2HB ASN 6 14.630 5.187 0.298 52 HD21 ASN 6 2HD2 ASN 6 12.418 6.289 0.419 53 HD22 ASN 6 1HD2 ASN 6 11.412 5.891 1.727 54 H MET 7 H MET 7 11.515 2.951 -2.196 55 HA MET 7 HA MET 7 11.625 0.229 -1.168 56 HB2 MET 7 1HB MET 7 9.366 0.386 -0.114 57 HB3 MET 7 2HB MET 7 10.606 1.317 0.724 58 HG2 MET 7 1HG MET 7 9.882 3.354 -0.461 59 HG3 MET 7 2HG MET 7 8.635 2.420 -1.289 60 HE1 MET 7 3HE MET 7 5.904 1.885 0.655 61 HE2 MET 7 1HE MET 7 6.973 0.658 1.332 62 HE3 MET 7 2HE MET 7 7.082 1.083 -0.367 63 H LYS 8 H LYS 8 9.973 -1.172 -2.035 64 HA LYS 8 HA LYS 8 9.051 -0.316 -4.702 65 HB2 LYS 8 1HB LYS 8 9.767 -2.937 -3.438 66 HB3 LYS 8 2HB LYS 8 8.550 -2.958 -4.712 67 HG2 LYS 8 1HG LYS 8 10.686 -3.313 -5.756 68 HG3 LYS 8 2HG LYS 8 10.183 -1.676 -6.165 69 HD2 LYS 8 1HD LYS 8 11.587 -0.778 -4.358 70 HD3 LYS 8 2HD LYS 8 12.071 -2.413 -3.908 71 HE2 LYS 8 1HE LYS 8 13.082 -2.733 -6.135 72 HE3 LYS 8 2HE LYS 8 12.580 -1.106 -6.599 73 HZ1 LYS 8 3HZ LYS 8 14.399 -1.753 -4.343 74 HZ2 LYS 8 1HZ LYS 8 13.945 -0.200 -4.848 75 HZ3 LYS 8 2HZ LYS 8 14.891 -1.181 -5.864 76 H ILE 9 H ILE 9 6.885 -0.841 -5.389 77 HA ILE 9 HA ILE 9 4.933 -1.218 -3.194 78 HB ILE 9 HB ILE 9 4.984 0.916 -5.293 79 HG12 ILE 9 1HG1 ILE 9 6.217 1.362 -3.198 80 HG13 ILE 9 2HG1 ILE 9 4.840 2.444 -3.388 81 HG21 ILE 9 1HG2 ILE 9 2.723 0.223 -5.365 82 HG22 ILE 9 2HG2 ILE 9 2.728 1.586 -4.246 83 HG23 ILE 9 3HG2 ILE 9 2.672 -0.063 -3.624 84 HD11 ILE 9 3HD1 ILE 9 5.233 0.214 -1.424 85 HD12 ILE 9 1HD1 ILE 9 3.598 0.542 -1.978 86 HD13 ILE 9 2HD1 ILE 9 4.515 1.800 -1.191 87 H LEU 10 H LEU 10 3.285 -2.487 -3.554 88 HA LEU 10 HA LEU 10 2.918 -3.591 -6.279 89 HB2 LEU 10 1HB LEU 10 3.706 -5.151 -4.449 90 HB3 LEU 10 2HB LEU 10 2.168 -4.886 -3.662 91 HG LEU 10 HG LEU 10 1.905 -5.616 -6.534 92 HD11 LEU 10 1HD1 LEU 10 2.302 -8.075 -5.983 93 HD12 LEU 10 2HD1 LEU 10 3.185 -7.519 -4.558 94 HD13 LEU 10 3HD1 LEU 10 3.750 -7.083 -6.172 95 HD21 LEU 10 3HD2 LEU 10 0.718 -6.737 -3.974 96 HD22 LEU 10 1HD2 LEU 10 0.176 -7.114 -5.609 97 HD23 LEU 10 2HD2 LEU 10 -0.004 -5.477 -4.975 98 H THR 11 H THR 11 1.022 -3.315 -7.196 99 HA THR 11 HA THR 11 -1.180 -2.082 -5.680 100 HB THR 11 HB THR 11 -2.157 -1.838 -8.034 101 HG1 THR 11 HG1 THR 11 -1.080 -2.703 -9.589 102 HG21 THR 11 3HG2 THR 11 -0.837 0.122 -8.510 103 HG22 THR 11 1HG2 THR 11 0.541 -0.526 -7.623 104 HG23 THR 11 2HG2 THR 11 -0.914 -0.038 -6.757 105 H LEU 12 H LEU 12 -2.980 -3.217 -5.184 106 HA LEU 12 HA LEU 12 -3.125 -6.023 -6.133 107 HB2 LEU 12 1HB LEU 12 -2.941 -5.483 -3.653 108 HB3 LEU 12 2HB LEU 12 -4.555 -4.793 -3.778 109 HG LEU 12 HG LEU 12 -5.319 -7.002 -4.765 110 HD11 LEU 12 1HD1 LEU 12 -2.444 -7.641 -4.187 111 HD12 LEU 12 2HD1 LEU 12 -3.493 -8.233 -5.470 112 HD13 LEU 12 3HD1 LEU 12 -3.630 -8.898 -3.847 113 HD21 LEU 12 3HD2 LEU 12 -5.234 -8.161 -2.480 114 HD22 LEU 12 1HD2 LEU 12 -5.900 -6.526 -2.498 115 HD23 LEU 12 2HD2 LEU 12 -4.250 -6.799 -1.941 116 H GLY 13 H GLY 13 -4.639 -6.500 -7.575 117 HA2 GLY 13 1HA GLY 13 -6.395 -6.095 -9.070 118 HA3 GLY 13 2HA GLY 13 -7.287 -6.233 -7.561 119 H LYS 14 H LYS 14 -8.778 -4.697 -7.488 120 HA LYS 14 HA LYS 14 -8.416 -2.124 -8.781 121 HB2 LYS 14 1HB LYS 14 -10.599 -3.276 -8.843 122 HB3 LYS 14 2HB LYS 14 -10.700 -3.156 -7.087 123 HG2 LYS 14 1HG LYS 14 -10.686 -0.731 -7.191 124 HG3 LYS 14 2HG LYS 14 -10.428 -0.767 -8.935 125 HD2 LYS 14 1HD LYS 14 -12.605 -1.917 -9.213 126 HD3 LYS 14 2HD LYS 14 -12.854 -1.838 -7.468 127 HE2 LYS 14 1HE LYS 14 -12.496 0.554 -9.299 128 HE3 LYS 14 2HE LYS 14 -14.022 0.003 -8.615 129 HZ1 LYS 14 3HZ LYS 14 -12.540 0.166 -6.422 130 HZ2 LYS 14 1HZ LYS 14 -13.489 1.449 -6.998 131 HZ3 LYS 14 2HZ LYS 14 -11.824 1.404 -7.340 132 H LEU 15 H LEU 15 -8.458 -0.110 -7.756 133 HA LEU 15 HA LEU 15 -8.093 -0.054 -4.836 134 HB2 LEU 15 1HB LEU 15 -5.976 0.863 -4.857 135 HB3 LEU 15 2HB LEU 15 -5.870 -0.181 -6.265 136 HG LEU 15 HG LEU 15 -6.430 2.802 -6.294 137 HD11 LEU 15 1HD1 LEU 15 -4.046 1.148 -7.151 138 HD12 LEU 15 2HD1 LEU 15 -4.102 2.278 -5.798 139 HD13 LEU 15 3HD1 LEU 15 -4.231 2.876 -7.452 140 HD21 LEU 15 3HD2 LEU 15 -5.971 0.938 -8.638 141 HD22 LEU 15 1HD2 LEU 15 -6.395 2.646 -8.703 142 HD23 LEU 15 2HD2 LEU 15 -7.571 1.466 -8.135 143 H SER 16 H SER 16 -8.018 2.296 -4.053 144 HA SER 16 HA SER 16 -10.415 3.541 -4.795 145 HB2 SER 16 1HB SER 16 -8.048 4.634 -3.269 146 HB3 SER 16 2HB SER 16 -9.605 5.448 -3.403 147 HG SER 16 HG SER 16 -10.528 3.908 -2.211 148 H GLN 17 H GLN 17 -7.068 4.344 -5.743 149 HA GLN 17 HA GLN 17 -7.647 6.725 -7.123 150 HB2 GLN 17 1HB GLN 17 -5.592 4.763 -8.127 151 HB3 GLN 17 2HB GLN 17 -5.569 6.519 -8.205 152 HG2 GLN 17 1HG GLN 17 -5.401 4.945 -5.655 153 HG3 GLN 17 2HG GLN 17 -4.007 5.528 -6.541 154 HE21 GLN 17 2HE2 GLN 17 -4.294 6.402 -3.980 155 HE22 GLN 17 1HE2 GLN 17 -4.756 8.032 -3.939 156 H ASN 18 H ASN 18 -6.603 6.119 -9.702 157 HA ASN 18 HA ASN 18 -8.958 4.810 -10.959 158 HB2 ASN 18 1HB ASN 18 -7.059 6.817 -12.198 159 HB3 ASN 18 2HB ASN 18 -8.578 6.222 -12.871 160 HD21 ASN 18 2HD2 ASN 18 -7.275 8.018 -10.041 161 HD22 ASN 18 1HD2 ASN 18 -8.681 8.941 -9.790 162 H LYS 19 H LYS 19 -5.747 5.615 -12.231 163 HA LYS 19 HA LYS 19 -4.608 3.055 -12.175 164 HB2 LYS 19 1HB LYS 19 -4.835 2.569 -14.680 165 HB3 LYS 19 2HB LYS 19 -6.226 2.205 -13.669 166 HG2 LYS 19 1HG LYS 19 -7.313 4.290 -14.310 167 HG3 LYS 19 2HG LYS 19 -5.900 4.788 -15.226 168 HD2 LYS 19 1HD LYS 19 -7.307 2.199 -15.864 169 HD3 LYS 19 2HD LYS 19 -7.888 3.729 -16.519 170 HE2 LYS 19 1HE LYS 19 -5.589 4.151 -17.440 171 HE3 LYS 19 2HE LYS 19 -5.118 2.539 -16.913 172 HZ1 LYS 19 3HZ LYS 19 -5.772 2.271 -19.115 173 HZ2 LYS 19 1HZ LYS 19 -7.113 3.297 -18.955 174 HZ3 LYS 19 2HZ LYS 19 -7.130 1.760 -18.232 175 H ASP 20 H ASP 20 -4.979 5.944 -14.224 176 HA ASP 20 HA ASP 20 -2.124 5.898 -14.859 177 HB2 ASP 20 1HB ASP 20 -3.714 6.513 -16.619 178 HB3 ASP 20 2HB ASP 20 -4.287 7.864 -15.642 179 H GLU 21 H GLU 21 -4.357 7.289 -12.675 180 HA GLU 21 HA GLU 21 -2.664 9.524 -11.897 181 HB2 GLU 21 1HB GLU 21 -5.284 8.474 -10.814 182 HB3 GLU 21 2HB GLU 21 -4.476 9.926 -10.226 183 HG2 GLU 21 1HG GLU 21 -5.382 9.475 -13.087 184 HG3 GLU 21 2HG GLU 21 -6.245 10.445 -11.896 185 H ALA 22 H ALA 22 -2.883 6.231 -11.171 186 HA ALA 22 HA ALA 22 -1.968 6.528 -8.399 187 HB1 ALA 22 3HB ALA 22 -2.476 4.275 -8.118 188 HB2 ALA 22 1HB ALA 22 -2.188 3.885 -9.816 189 HB3 ALA 22 2HB ALA 22 -3.647 4.744 -9.347 190 H LYS 23 H LYS 23 -0.894 4.679 -11.241 191 HA LYS 23 HA LYS 23 1.698 4.155 -10.289 192 HB2 LYS 23 1HB LYS 23 0.503 4.198 -13.066 193 HB3 LYS 23 2HB LYS 23 2.171 3.725 -12.761 194 HG2 LYS 23 1HG LYS 23 1.340 1.610 -12.464 195 HG3 LYS 23 2HG LYS 23 0.793 2.174 -10.890 196 HD2 LYS 23 1HD LYS 23 -1.371 2.818 -11.877 197 HD3 LYS 23 2HD LYS 23 -0.828 2.227 -13.449 198 HE2 LYS 23 1HE LYS 23 -1.105 0.568 -10.924 199 HE3 LYS 23 2HE LYS 23 -2.203 0.535 -12.303 200 HZ1 LYS 23 3HZ LYS 23 -0.109 -0.009 -13.641 201 HZ2 LYS 23 1HZ LYS 23 -0.793 -1.233 -12.689 202 HZ3 LYS 23 2HZ LYS 23 0.588 -0.409 -12.143 203 H ALA 24 H ALA 24 0.467 6.807 -12.308 204 HA ALA 24 HA ALA 24 2.979 7.913 -12.957 205 HB1 ALA 24 3HB ALA 24 0.881 8.538 -14.084 206 HB2 ALA 24 1HB ALA 24 1.726 9.957 -13.468 207 HB3 ALA 24 2HB ALA 24 0.326 9.323 -12.606 208 H MET 25 H MET 25 0.775 8.564 -10.239 209 HA MET 25 HA MET 25 2.393 10.611 -9.107 210 HB2 MET 25 1HB MET 25 0.502 10.954 -7.937 211 HB3 MET 25 2HB MET 25 -0.173 9.500 -8.643 212 HG2 MET 25 1HG MET 25 -0.362 9.257 -6.275 213 HG3 MET 25 2HG MET 25 0.952 8.201 -6.759 214 HE1 MET 25 3HE MET 25 -0.217 10.496 -4.262 215 HE2 MET 25 1HE MET 25 0.011 11.751 -5.488 216 HE3 MET 25 2HE MET 25 0.973 11.774 -4.012 217 H ILE 26 H ILE 26 2.190 7.126 -8.541 218 HA ILE 26 HA ILE 26 3.838 7.004 -6.263 219 HB ILE 26 HB ILE 26 3.216 5.021 -8.452 220 HG12 ILE 26 1HG1 ILE 26 2.324 5.049 -5.562 221 HG13 ILE 26 2HG1 ILE 26 1.449 5.948 -6.792 222 HG21 ILE 26 1HG2 ILE 26 4.034 3.332 -6.729 223 HG22 ILE 26 2HG2 ILE 26 4.775 4.681 -5.870 224 HG23 ILE 26 3HG2 ILE 26 5.306 4.278 -7.503 225 HD11 ILE 26 3HD1 ILE 26 0.515 3.684 -6.406 226 HD12 ILE 26 1HD1 ILE 26 2.047 2.988 -6.931 227 HD13 ILE 26 2HD1 ILE 26 1.064 3.921 -8.061 228 H GLU 27 H GLU 27 4.617 6.799 -9.724 229 HA GLU 27 HA GLU 27 7.404 6.327 -9.364 230 HB2 GLU 27 1HB GLU 27 5.831 7.428 -11.702 231 HB3 GLU 27 2HB GLU 27 7.553 7.048 -11.763 232 HG2 GLU 27 1HG GLU 27 7.096 4.713 -11.195 233 HG3 GLU 27 2HG GLU 27 5.378 5.070 -11.021 234 H LYS 28 H LYS 28 5.410 9.195 -9.512 235 HA LYS 28 HA LYS 28 7.379 11.133 -10.000 236 HB2 LYS 28 1HB LYS 28 4.800 11.357 -9.909 237 HB3 LYS 28 2HB LYS 28 5.022 11.592 -8.177 238 HG2 LYS 28 1HG LYS 28 6.449 13.506 -8.546 239 HG3 LYS 28 2HG LYS 28 6.461 13.233 -10.284 240 HD2 LYS 28 1HD LYS 28 3.742 13.519 -9.078 241 HD3 LYS 28 2HD LYS 28 4.743 14.966 -9.023 242 HE2 LYS 28 1HE LYS 28 4.184 13.363 -11.535 243 HE3 LYS 28 2HE LYS 28 3.375 14.865 -11.087 244 HZ1 LYS 28 3HZ LYS 28 5.033 15.791 -12.253 245 HZ2 LYS 28 1HZ LYS 28 6.054 14.443 -12.107 246 HZ3 LYS 28 2HZ LYS 28 5.936 15.560 -10.832 247 H LEU 29 H LEU 29 6.219 9.759 -6.927 248 HA LEU 29 HA LEU 29 7.757 11.394 -5.193 249 HB2 LEU 29 1HB LEU 29 7.035 8.485 -4.739 250 HB3 LEU 29 2HB LEU 29 7.310 9.718 -3.516 251 HG LEU 29 HG LEU 29 5.056 9.619 -5.498 252 HD11 LEU 29 1HD1 LEU 29 3.685 9.415 -3.386 253 HD12 LEU 29 2HD1 LEU 29 5.200 9.191 -2.511 254 HD13 LEU 29 3HD1 LEU 29 4.709 8.024 -3.740 255 HD21 LEU 29 3HD2 LEU 29 5.398 11.904 -5.215 256 HD22 LEU 29 1HD2 LEU 29 5.976 11.718 -3.560 257 HD23 LEU 29 2HD2 LEU 29 4.255 11.561 -3.919 258 H GLY 30 H GLY 30 8.263 8.348 -6.756 259 HA2 GLY 30 1HA GLY 30 10.682 8.044 -7.556 260 HA3 GLY 30 2HA GLY 30 11.058 8.139 -5.834 261 H GLY 31 H GLY 31 8.060 6.938 -5.931 262 HA2 GLY 31 1HA GLY 31 8.750 4.367 -5.066 263 HA3 GLY 31 2HA GLY 31 7.145 4.875 -5.578 264 H LYS 32 H LYS 32 8.301 2.329 -6.023 265 HA LYS 32 HA LYS 32 8.226 2.284 -8.962 266 HB2 LYS 32 1HB LYS 32 10.457 1.351 -7.292 267 HB3 LYS 32 2HB LYS 32 9.878 0.109 -8.399 268 HG2 LYS 32 1HG LYS 32 10.084 1.724 -10.274 269 HG3 LYS 32 2HG LYS 32 10.695 2.936 -9.148 270 HD2 LYS 32 1HD LYS 32 12.635 1.566 -8.633 271 HD3 LYS 32 2HD LYS 32 11.991 0.243 -9.612 272 HE2 LYS 32 1HE LYS 32 12.041 1.705 -11.598 273 HE3 LYS 32 2HE LYS 32 12.769 2.989 -10.629 274 HZ1 LYS 32 3HZ LYS 32 14.088 0.422 -10.444 275 HZ2 LYS 32 1HZ LYS 32 14.755 1.972 -10.622 276 HZ3 LYS 32 2HZ LYS 32 14.161 1.143 -11.980 277 H LEU 33 H LEU 33 7.661 0.332 -9.902 278 HA LEU 33 HA LEU 33 5.814 -1.288 -8.220 279 HB2 LEU 33 1HB LEU 33 5.682 -0.704 -11.188 280 HB3 LEU 33 2HB LEU 33 4.506 -1.625 -10.254 281 HG LEU 33 HG LEU 33 5.195 1.293 -9.786 282 HD11 LEU 33 1HD1 LEU 33 3.970 0.772 -11.931 283 HD12 LEU 33 2HD1 LEU 33 3.070 1.791 -10.812 284 HD13 LEU 33 3HD1 LEU 33 2.677 0.079 -10.951 285 HD21 LEU 33 3HD2 LEU 33 2.943 1.059 -8.463 286 HD22 LEU 33 1HD2 LEU 33 4.424 0.473 -7.709 287 HD23 LEU 33 2HD2 LEU 33 3.310 -0.667 -8.468 288 H THR 34 H THR 34 6.219 -3.415 -8.086 289 HA THR 34 HA THR 34 7.922 -4.674 -10.167 290 HB THR 34 HB THR 34 9.242 -4.214 -8.087 291 HG1 THR 34 HG1 THR 34 8.766 -6.972 -8.444 292 HG21 THR 34 3HG2 THR 34 7.265 -4.559 -6.543 293 HG22 THR 34 1HG2 THR 34 8.741 -5.388 -6.055 294 HG23 THR 34 2HG2 THR 34 7.437 -6.292 -6.826 295 H GLY 35 H GLY 35 7.647 -6.994 -10.352 296 HA2 GLY 35 1HA GLY 35 4.852 -7.742 -10.028 297 HA3 GLY 35 2HA GLY 35 6.078 -8.634 -10.921 298 H SER 36 H SER 36 4.828 -10.406 -9.696 299 HA SER 36 HA SER 36 4.864 -12.061 -8.104 300 HB2 SER 36 1HB SER 36 7.423 -10.981 -6.965 301 HB3 SER 36 2HB SER 36 6.938 -12.652 -7.241 302 HG SER 36 HG SER 36 7.829 -10.704 -9.079 303 H ALA 37 H ALA 37 5.793 -12.102 -5.500 304 HA ALA 37 HA ALA 37 4.479 -9.836 -4.140 305 HB1 ALA 37 3HB ALA 37 2.978 -11.949 -4.450 306 HB2 ALA 37 1HB ALA 37 3.079 -11.208 -2.853 307 HB3 ALA 37 2HB ALA 37 4.009 -12.665 -3.211 308 H ASN 38 H ASN 38 5.046 -9.740 -1.841 309 HA ASN 38 HA ASN 38 6.506 -9.766 -0.086 310 HB2 ASN 38 1HB ASN 38 6.461 -12.293 -0.519 311 HB3 ASN 38 2HB ASN 38 7.987 -12.043 -1.355 312 HD21 ASN 38 2HD2 ASN 38 6.577 -10.778 1.726 313 HD22 ASN 38 1HD2 ASN 38 7.951 -11.125 2.659 314 H LYS 39 H LYS 39 7.612 -9.799 -3.350 315 HA LYS 39 HA LYS 39 10.277 -8.898 -2.930 316 HB2 LYS 39 1HB LYS 39 9.385 -9.891 -5.046 317 HB3 LYS 39 2HB LYS 39 8.485 -8.397 -5.306 318 HG2 LYS 39 1HG LYS 39 10.551 -7.104 -5.354 319 HG3 LYS 39 2HG LYS 39 11.492 -8.547 -4.961 320 HD2 LYS 39 1HD LYS 39 10.717 -9.622 -7.029 321 HD3 LYS 39 2HD LYS 39 9.787 -8.184 -7.429 322 HE2 LYS 39 1HE LYS 39 11.863 -6.853 -7.506 323 HE3 LYS 39 2HE LYS 39 12.799 -8.284 -7.077 324 HZ1 LYS 39 3HZ LYS 39 11.218 -9.012 -9.219 325 HZ2 LYS 39 1HZ LYS 39 12.893 -8.744 -9.231 326 HZ3 LYS 39 2HZ LYS 39 11.828 -7.477 -9.614 327 H ALA 40 H ALA 40 7.140 -7.412 -3.169 328 HA ALA 40 HA ALA 40 8.070 -4.682 -3.243 329 HB1 ALA 40 3HB ALA 40 5.741 -4.121 -3.133 330 HB2 ALA 40 1HB ALA 40 5.335 -5.732 -2.532 331 HB3 ALA 40 2HB ALA 40 5.910 -5.524 -4.190 332 H SER 41 H SER 41 7.098 -3.114 -1.475 333 HA SER 41 HA SER 41 7.881 -4.276 1.152 334 HB2 SER 41 1HB SER 41 8.143 -1.899 1.836 335 HB3 SER 41 2HB SER 41 9.203 -2.354 0.506 336 HG SER 41 HG SER 41 8.063 -1.149 -0.831 337 H LEU 42 H LEU 42 5.703 -1.703 0.025 338 HA LEU 42 HA LEU 42 3.638 -2.693 1.919 339 HB2 LEU 42 1HB LEU 42 4.195 0.120 0.963 340 HB3 LEU 42 2HB LEU 42 2.843 -0.360 1.990 341 HG LEU 42 HG LEU 42 5.771 -0.765 2.689 342 HD11 LEU 42 1HD1 LEU 42 5.469 1.547 2.874 343 HD12 LEU 42 2HD1 LEU 42 5.062 1.002 4.493 344 HD13 LEU 42 3HD1 LEU 42 3.784 1.394 3.347 345 HD21 LEU 42 3HD2 LEU 42 4.717 -2.377 3.951 346 HD22 LEU 42 1HD2 LEU 42 3.180 -1.511 4.005 347 HD23 LEU 42 2HD2 LEU 42 4.521 -1.007 5.036 348 H CYS 43 H CYS 43 1.922 -3.481 1.023 349 HA CYS 43 HA CYS 43 1.335 -3.164 -1.820 350 HB2 CYS 43 1HB CYS 43 1.043 -5.375 -0.930 351 HB3 CYS 43 2HB CYS 43 0.064 -4.775 0.409 352 HG CYS 43 HG CYS 43 -0.913 -5.165 -2.492 353 H ILE 44 H ILE 44 -0.482 -2.109 -2.663 354 HA ILE 44 HA ILE 44 -1.763 -0.189 -0.826 355 HB ILE 44 HB ILE 44 -1.753 -0.360 -3.843 356 HG12 ILE 44 1HG1 ILE 44 0.445 0.229 -2.922 357 HG13 ILE 44 2HG1 ILE 44 -0.287 1.623 -3.708 358 HG21 ILE 44 1HG2 ILE 44 -3.045 1.557 -1.911 359 HG22 ILE 44 2HG2 ILE 44 -3.753 0.747 -3.309 360 HG23 ILE 44 3HG2 ILE 44 -2.605 2.063 -3.542 361 HD11 ILE 44 3HD1 ILE 44 0.476 2.570 -1.723 362 HD12 ILE 44 1HD1 ILE 44 0.148 1.122 -0.777 363 HD13 ILE 44 2HD1 ILE 44 -1.180 2.168 -1.277 364 H SER 45 H SER 45 -3.505 -0.901 0.111 365 HA SER 45 HA SER 45 -5.800 -1.697 -1.452 366 HB2 SER 45 1HB SER 45 -4.396 -3.660 0.351 367 HB3 SER 45 2HB SER 45 -6.124 -3.785 0.033 368 HG SER 45 HG SER 45 -4.357 -3.432 -2.110 369 H THR 46 H THR 46 -7.756 -1.489 -0.265 370 HA THR 46 HA THR 46 -7.483 0.127 2.173 371 HB THR 46 HB THR 46 -9.670 0.901 1.749 372 HG1 THR 46 HG1 THR 46 -10.955 -0.241 0.127 373 HG21 THR 46 3HG2 THR 46 -8.762 0.311 -1.064 374 HG22 THR 46 1HG2 THR 46 -7.856 1.422 -0.040 375 HG23 THR 46 2HG2 THR 46 -9.536 1.767 -0.444 376 H LYS 47 H LYS 47 -9.073 -0.306 3.948 377 HA LYS 47 HA LYS 47 -8.805 -2.937 4.895 378 HB2 LYS 47 1HB LYS 47 -9.208 -0.877 6.311 379 HB3 LYS 47 2HB LYS 47 -10.880 -0.917 5.768 380 HG2 LYS 47 1HG LYS 47 -10.927 -2.041 7.831 381 HG3 LYS 47 2HG LYS 47 -10.943 -3.329 6.642 382 HD2 LYS 47 1HD LYS 47 -9.170 -4.212 7.789 383 HD3 LYS 47 2HD LYS 47 -8.207 -2.951 7.041 384 HE2 LYS 47 1HE LYS 47 -7.690 -2.338 9.160 385 HE3 LYS 47 2HE LYS 47 -9.297 -1.635 9.249 386 HZ1 LYS 47 3HZ LYS 47 -8.717 -3.241 11.051 387 HZ2 LYS 47 1HZ LYS 47 -8.719 -4.473 9.885 388 HZ3 LYS 47 2HZ LYS 47 -10.148 -3.610 10.212 389 H LYS 48 H LYS 48 -11.411 -1.307 3.179 390 HA LYS 48 HA LYS 48 -13.401 -3.230 3.532 391 HB2 LYS 48 1HB LYS 48 -13.793 -0.983 2.558 392 HB3 LYS 48 2HB LYS 48 -12.919 -1.471 1.109 393 HG2 LYS 48 1HG LYS 48 -15.289 -1.697 0.668 394 HG3 LYS 48 2HG LYS 48 -14.611 -3.317 0.798 395 HD2 LYS 48 1HD LYS 48 -15.525 -3.640 2.972 396 HD3 LYS 48 2HD LYS 48 -15.867 -1.921 3.169 397 HE2 LYS 48 1HE LYS 48 -17.941 -3.083 2.680 398 HE3 LYS 48 2HE LYS 48 -17.507 -2.103 1.281 399 HZ1 LYS 48 3HZ LYS 48 -18.194 -4.355 0.674 400 HZ2 LYS 48 1HZ LYS 48 -16.914 -4.998 1.584 401 HZ3 LYS 48 2HZ LYS 48 -16.588 -4.043 0.218 402 H GLU 49 H GLU 49 -10.786 -2.985 1.175 403 HA GLU 49 HA GLU 49 -11.510 -5.190 -0.455 404 HB2 GLU 49 1HB GLU 49 -8.831 -3.905 0.119 405 HB3 GLU 49 2HB GLU 49 -9.086 -5.145 -1.106 406 HG2 GLU 49 1HG GLU 49 -10.674 -3.717 -2.279 407 HG3 GLU 49 2HG GLU 49 -10.554 -2.497 -1.008 408 H VAL 50 H VAL 50 -9.509 -4.863 2.432 409 HA VAL 50 HA VAL 50 -8.430 -7.466 2.497 410 HB VAL 50 HB VAL 50 -9.017 -5.548 4.754 411 HG11 VAL 50 1HG1 VAL 50 -7.339 -6.813 6.030 412 HG12 VAL 50 2HG1 VAL 50 -7.165 -7.945 4.696 413 HG13 VAL 50 3HG1 VAL 50 -8.681 -7.865 5.592 414 HG21 VAL 50 3HG2 VAL 50 -6.561 -6.084 3.062 415 HG22 VAL 50 1HG2 VAL 50 -6.541 -5.106 4.528 416 HG23 VAL 50 2HG2 VAL 50 -7.489 -4.594 3.138 417 H GLU 51 H GLU 51 -11.380 -6.123 3.948 418 HA GLU 51 HA GLU 51 -12.152 -8.224 5.560 419 HB2 GLU 51 1HB GLU 51 -13.849 -6.338 3.898 420 HB3 GLU 51 2HB GLU 51 -14.462 -7.351 5.211 421 HG2 GLU 51 1HG GLU 51 -12.107 -5.570 5.781 422 HG3 GLU 51 2HG GLU 51 -13.697 -4.825 5.673 423 H LYS 52 H LYS 52 -12.415 -7.884 2.109 424 HA LYS 52 HA LYS 52 -14.294 -9.921 1.634 425 HB2 LYS 52 1HB LYS 52 -12.062 -9.087 -0.222 426 HB3 LYS 52 2HB LYS 52 -13.656 -9.722 -0.648 427 HG2 LYS 52 1HG LYS 52 -14.639 -7.706 0.586 428 HG3 LYS 52 2HG LYS 52 -13.001 -7.078 0.628 429 HD2 LYS 52 1HD LYS 52 -12.828 -7.110 -1.778 430 HD3 LYS 52 2HD LYS 52 -14.420 -7.859 -1.911 431 HE2 LYS 52 1HE LYS 52 -15.429 -5.868 -0.824 432 HE3 LYS 52 2HE LYS 52 -13.832 -5.126 -0.734 433 HZ1 LYS 52 3HZ LYS 52 -13.840 -4.637 -2.910 434 HZ2 LYS 52 1HZ LYS 52 -15.524 -4.797 -2.779 435 HZ3 LYS 52 2HZ LYS 52 -14.591 -6.096 -3.354 436 H MET 53 H MET 53 -10.786 -9.957 1.889 437 HA MET 53 HA MET 53 -9.266 -11.677 2.040 438 HB2 MET 53 1HB MET 53 -11.731 -13.097 3.094 439 HB3 MET 53 2HB MET 53 -10.117 -13.799 3.122 440 HG2 MET 53 1HG MET 53 -10.590 -11.073 4.313 441 HG3 MET 53 2HG MET 53 -10.977 -12.519 5.238 442 HE1 MET 53 3HE MET 53 -7.342 -10.635 5.954 443 HE2 MET 53 1HE MET 53 -9.081 -10.362 6.132 444 HE3 MET 53 2HE MET 53 -8.277 -9.976 4.615 445 H SER 54 H SER 54 -10.203 -11.208 -0.471 446 HA SER 54 HA SER 54 -11.165 -13.619 -1.741 447 HB2 SER 54 1HB SER 54 -11.699 -11.388 -2.646 448 HB3 SER 54 2HB SER 54 -9.988 -11.110 -2.963 449 HG SER 54 HG SER 54 -10.856 -11.917 -4.829 450 H LYS 55 H LYS 55 -9.718 -13.937 -3.989 451 HA LYS 55 HA LYS 55 -7.541 -15.527 -3.169 452 HB2 LYS 55 1HB LYS 55 -8.262 -14.390 -5.877 453 HB3 LYS 55 2HB LYS 55 -6.969 -15.565 -5.620 454 HG2 LYS 55 1HG LYS 55 -8.613 -17.130 -4.618 455 HG3 LYS 55 2HG LYS 55 -9.895 -15.955 -4.914 456 HD2 LYS 55 1HD LYS 55 -9.439 -16.060 -7.337 457 HD3 LYS 55 2HD LYS 55 -8.159 -17.240 -7.047 458 HE2 LYS 55 1HE LYS 55 -9.826 -18.777 -6.037 459 HE3 LYS 55 2HE LYS 55 -11.099 -17.607 -6.396 460 HZ1 LYS 55 3HZ LYS 55 -10.909 -17.949 -8.647 461 HZ2 LYS 55 1HZ LYS 55 -10.589 -19.509 -8.062 462 HZ3 LYS 55 2HZ LYS 55 -9.308 -18.505 -8.540 463 H LYS 56 H LYS 56 -7.747 -12.262 -4.435 464 HA LYS 56 HA LYS 56 -5.018 -11.735 -4.805 465 HB2 LYS 56 1HB LYS 56 -7.309 -9.885 -4.068 466 HB3 LYS 56 2HB LYS 56 -5.737 -9.340 -4.630 467 HG2 LYS 56 1HG LYS 56 -7.464 -11.225 -6.243 468 HG3 LYS 56 2HG LYS 56 -7.587 -9.476 -6.391 469 HD2 LYS 56 1HD LYS 56 -5.156 -9.392 -6.975 470 HD3 LYS 56 2HD LYS 56 -5.108 -11.151 -6.927 471 HE2 LYS 56 1HE LYS 56 -6.994 -9.597 -8.705 472 HE3 LYS 56 2HE LYS 56 -5.421 -10.197 -9.232 473 HZ1 LYS 56 3HZ LYS 56 -6.114 -12.328 -9.209 474 HZ2 LYS 56 1HZ LYS 56 -7.627 -11.613 -9.480 475 HZ3 LYS 56 2HZ LYS 56 -7.189 -12.104 -7.914 476 H MET 57 H MET 57 -7.135 -11.350 -1.989 477 HA MET 57 HA MET 57 -5.219 -10.175 -0.277 478 HB2 MET 57 1HB MET 57 -7.921 -11.142 -0.094 479 HB3 MET 57 2HB MET 57 -7.032 -11.819 1.254 480 HG2 MET 57 1HG MET 57 -7.273 -8.880 0.535 481 HG3 MET 57 2HG MET 57 -7.998 -9.689 1.915 482 HE1 MET 57 3HE MET 57 -5.197 -11.676 2.684 483 HE2 MET 57 1HE MET 57 -6.697 -11.145 3.437 484 HE3 MET 57 2HE MET 57 -5.153 -10.712 4.151 485 H GLU 58 H GLU 58 -6.040 -13.538 -0.976 486 HA GLU 58 HA GLU 58 -4.527 -14.744 1.036 487 HB2 GLU 58 1HB GLU 58 -5.213 -15.722 -1.738 488 HB3 GLU 58 2HB GLU 58 -4.422 -16.721 -0.520 489 HG2 GLU 58 1HG GLU 58 -6.290 -16.411 1.010 490 HG3 GLU 58 2HG GLU 58 -7.076 -15.311 -0.121 491 H GLU 59 H GLU 59 -3.502 -13.559 -2.158 492 HA GLU 59 HA GLU 59 -0.896 -14.689 -2.001 493 HB2 GLU 59 1HB GLU 59 -1.412 -12.134 -3.506 494 HB3 GLU 59 2HB GLU 59 -0.404 -13.511 -3.944 495 HG2 GLU 59 1HG GLU 59 -2.639 -14.837 -4.061 496 HG3 GLU 59 2HG GLU 59 -3.394 -13.256 -4.052 497 H VAL 60 H VAL 60 -2.186 -11.490 -1.149 498 HA VAL 60 HA VAL 60 0.270 -10.295 -0.443 499 HB VAL 60 HB VAL 60 -2.527 -9.749 0.574 500 HG11 VAL 60 1HG1 VAL 60 -0.893 -8.752 2.080 501 HG12 VAL 60 2HG1 VAL 60 -1.597 -7.482 1.085 502 HG13 VAL 60 3HG1 VAL 60 0.009 -8.100 0.713 503 HG21 VAL 60 3HG2 VAL 60 -2.347 -7.870 -1.120 504 HG22 VAL 60 1HG2 VAL 60 -2.444 -9.488 -1.810 505 HG23 VAL 60 2HG2 VAL 60 -0.892 -8.654 -1.729 506 H LYS 61 H LYS 61 -2.184 -11.927 1.551 507 HA LYS 61 HA LYS 61 -0.822 -11.643 4.021 508 HB2 LYS 61 1HB LYS 61 -3.234 -12.151 3.821 509 HB3 LYS 61 2HB LYS 61 -2.825 -13.750 3.204 510 HG2 LYS 61 1HG LYS 61 -1.694 -14.311 5.289 511 HG3 LYS 61 2HG LYS 61 -1.943 -12.676 5.900 512 HD2 LYS 61 1HD LYS 61 -3.647 -14.059 6.895 513 HD3 LYS 61 2HD LYS 61 -4.438 -13.074 5.666 514 HE2 LYS 61 1HE LYS 61 -4.557 -14.899 4.135 515 HE3 LYS 61 2HE LYS 61 -3.420 -15.864 5.075 516 HZ1 LYS 61 3HZ LYS 61 -6.097 -16.038 5.223 517 HZ2 LYS 61 1HZ LYS 61 -5.758 -15.018 6.535 518 HZ3 LYS 61 2HZ LYS 61 -5.028 -16.549 6.437 519 H ALA 62 H ALA 62 -0.907 -14.261 1.626 520 HA ALA 62 HA ALA 62 0.802 -15.982 3.155 521 HB1 ALA 62 3HB ALA 62 0.354 -16.148 0.176 522 HB2 ALA 62 1HB ALA 62 -0.866 -16.670 1.339 523 HB3 ALA 62 2HB ALA 62 0.714 -17.455 1.308 524 H ALA 63 H ALA 63 1.338 -13.222 1.261 525 HA ALA 63 HA ALA 63 4.094 -13.952 0.564 526 HB1 ALA 63 3HB ALA 63 2.491 -11.447 -0.006 527 HB2 ALA 63 1HB ALA 63 2.816 -12.762 -1.136 528 HB3 ALA 63 2HB ALA 63 4.138 -11.750 -0.560 529 H ASN 64 H ASN 64 2.432 -12.681 3.169 530 HA ASN 64 HA ASN 64 3.047 -11.555 5.051 531 HB2 ASN 64 1HB ASN 64 5.151 -13.288 4.360 532 HB3 ASN 64 2HB ASN 64 5.960 -11.780 4.743 533 HD21 ASN 64 2HD2 ASN 64 3.021 -13.335 6.163 534 HD22 ASN 64 1HD2 ASN 64 3.616 -13.327 7.752 535 H VAL 65 H VAL 65 2.380 -9.885 3.119 536 HA VAL 65 HA VAL 65 4.413 -7.717 3.137 537 HB VAL 65 HB VAL 65 2.273 -8.444 1.127 538 HG11 VAL 65 1HG1 VAL 65 3.217 -6.424 -0.121 539 HG12 VAL 65 2HG1 VAL 65 3.919 -5.921 1.417 540 HG13 VAL 65 3HG1 VAL 65 2.168 -6.062 1.248 541 HG21 VAL 65 3HG2 VAL 65 5.249 -8.039 0.803 542 HG22 VAL 65 1HG2 VAL 65 4.128 -8.720 -0.380 543 HG23 VAL 65 2HG2 VAL 65 4.504 -9.612 1.096 544 H ARG 66 H ARG 66 3.836 -6.016 4.328 545 HA ARG 66 HA ARG 66 1.379 -5.885 5.730 546 HB2 ARG 66 1HB ARG 66 3.553 -4.809 6.431 547 HB3 ARG 66 2HB ARG 66 3.273 -3.595 5.192 548 HG2 ARG 66 1HG ARG 66 1.083 -3.050 6.266 549 HG3 ARG 66 2HG ARG 66 1.478 -4.181 7.556 550 HD2 ARG 66 1HD ARG 66 3.133 -1.765 6.793 551 HD3 ARG 66 2HD ARG 66 2.024 -1.838 8.156 552 HE ARG 66 HE ARG 66 4.641 -3.106 7.973 553 HH11 ARG 66 1HH2 ARG 66 1.580 -2.879 9.589 554 HH12 ARG 66 2HH2 ARG 66 2.147 -3.631 11.042 555 HH21 ARG 66 1HH1 ARG 66 5.383 -4.063 9.871 556 HH22 ARG 66 2HH1 ARG 66 4.303 -4.298 11.207 557 H VAL 67 H VAL 67 -0.301 -4.254 5.477 558 HA VAL 67 HA VAL 67 -0.726 -3.468 2.645 559 HB VAL 67 HB VAL 67 -2.695 -4.240 4.801 560 HG11 VAL 67 1HG1 VAL 67 -3.904 -2.653 3.615 561 HG12 VAL 67 2HG1 VAL 67 -4.280 -4.115 2.704 562 HG13 VAL 67 3HG1 VAL 67 -3.065 -2.987 2.099 563 HG21 VAL 67 3HG2 VAL 67 -2.718 -5.729 2.241 564 HG22 VAL 67 1HG2 VAL 67 -2.723 -6.339 3.894 565 HG23 VAL 67 2HG2 VAL 67 -1.202 -5.899 3.121 566 H VAL 68 H VAL 68 -0.965 -1.356 2.256 567 HA VAL 68 HA VAL 68 -1.762 0.455 4.465 568 HB VAL 68 HB VAL 68 0.491 0.783 2.477 569 HG11 VAL 68 1HG1 VAL 68 0.700 3.072 3.640 570 HG12 VAL 68 2HG1 VAL 68 -0.970 2.828 4.151 571 HG13 VAL 68 3HG1 VAL 68 -0.575 2.902 2.435 572 HG21 VAL 68 3HG2 VAL 68 0.380 1.040 5.498 573 HG22 VAL 68 1HG2 VAL 68 1.823 1.066 4.489 574 HG23 VAL 68 2HG2 VAL 68 0.890 -0.419 4.649 575 H CYS 69 H CYS 69 -3.334 1.867 3.977 576 HA CYS 69 HA CYS 69 -4.716 1.637 1.484 577 HB2 CYS 69 1HB CYS 69 -6.078 2.076 3.354 578 HB3 CYS 69 2HB CYS 69 -5.048 3.385 3.920 579 HG CYS 69 HG CYS 69 -7.390 3.948 2.369 580 H GLU 70 H GLU 70 -5.281 3.499 0.142 581 HA GLU 70 HA GLU 70 -3.051 4.695 -1.044 582 HB2 GLU 70 1HB GLU 70 -5.971 5.476 -1.177 583 HB3 GLU 70 2HB GLU 70 -4.722 6.077 -2.264 584 HG2 GLU 70 1HG GLU 70 -5.583 4.281 -3.491 585 HG3 GLU 70 2HG GLU 70 -4.221 3.526 -2.681 586 H ASP 71 H ASP 71 -5.379 6.037 1.290 587 HA ASP 71 HA ASP 71 -4.825 8.701 1.270 588 HB2 ASP 71 1HB ASP 71 -5.184 6.881 3.657 589 HB3 ASP 71 2HB ASP 71 -5.135 8.638 3.785 590 H PHE 72 H PHE 72 -2.689 6.156 2.136 591 HA PHE 72 HA PHE 72 -0.787 7.510 3.696 592 HB2 PHE 72 1HB PHE 72 -0.897 5.060 3.370 593 HB3 PHE 72 2HB PHE 72 -0.307 5.277 1.722 594 HD1 PHE 72 HD2 PHE 72 1.961 6.376 1.351 595 HD2 PHE 72 HD1 PHE 72 0.595 5.111 5.232 596 HE1 PHE 72 HE2 PHE 72 4.288 6.422 2.193 597 HE2 PHE 72 HE1 PHE 72 2.930 5.175 6.069 598 HZ PHE 72 HZ PHE 72 4.776 5.827 4.545 599 H LEU 73 H LEU 73 -1.102 7.118 0.171 600 HA LEU 73 HA LEU 73 1.353 8.269 -0.548 601 HB2 LEU 73 1HB LEU 73 -1.296 8.272 -2.031 602 HB3 LEU 73 2HB LEU 73 0.247 8.720 -2.747 603 HG LEU 73 HG LEU 73 -0.239 6.018 -1.471 604 HD11 LEU 73 1HD1 LEU 73 -1.805 6.035 -3.223 605 HD12 LEU 73 2HD1 LEU 73 -0.385 5.290 -3.955 606 HD13 LEU 73 3HD1 LEU 73 -0.762 6.981 -4.283 607 HD21 LEU 73 3HD2 LEU 73 1.868 5.467 -2.143 608 HD22 LEU 73 1HD2 LEU 73 2.156 7.195 -2.251 609 HD23 LEU 73 2HD2 LEU 73 1.715 6.296 -3.687 610 H GLN 74 H GLN 74 -1.811 9.670 0.061 611 HA GLN 74 HA GLN 74 -1.210 12.326 -0.706 612 HB2 GLN 74 1HB GLN 74 -3.195 11.386 1.378 613 HB3 GLN 74 2HB GLN 74 -3.219 12.922 0.509 614 HG2 GLN 74 1HG GLN 74 -3.433 10.195 -0.788 615 HG3 GLN 74 2HG GLN 74 -4.789 11.279 -0.485 616 HE21 GLN 74 2HE2 GLN 74 -2.759 10.320 -2.906 617 HE22 GLN 74 1HE2 GLN 74 -2.744 11.732 -3.851 618 H ASP 75 H ASP 75 -0.938 10.574 2.340 619 HA ASP 75 HA ASP 75 -0.358 12.750 4.033 620 HB2 ASP 75 1HB ASP 75 0.292 9.812 4.180 621 HB3 ASP 75 2HB ASP 75 0.683 10.937 5.478 622 H VAL 76 H VAL 76 1.907 10.520 2.348 623 HA VAL 76 HA VAL 76 4.216 11.833 3.388 624 HB VAL 76 HB VAL 76 5.435 10.651 1.544 625 HG11 VAL 76 1HG1 VAL 76 3.533 8.748 2.912 626 HG12 VAL 76 2HG1 VAL 76 4.760 9.627 3.820 627 HG13 VAL 76 3HG1 VAL 76 5.241 8.520 2.538 628 HG21 VAL 76 3HG2 VAL 76 4.063 8.977 0.249 629 HG22 VAL 76 1HG2 VAL 76 3.764 10.659 -0.184 630 HG23 VAL 76 2HG2 VAL 76 2.616 9.798 0.840 631 H SER 77 H SER 77 2.288 12.164 0.472 632 HA SER 77 HA SER 77 3.985 13.986 -0.891 633 HB2 SER 77 1HB SER 77 1.967 14.567 -2.190 634 HB3 SER 77 2HB SER 77 2.170 12.824 -2.030 635 HG SER 77 HG SER 77 0.412 14.550 -0.634 636 H ALA 78 H ALA 78 1.326 14.488 1.392 637 HA ALA 78 HA ALA 78 1.699 17.395 1.303 638 HB1 ALA 78 3HB ALA 78 -0.223 15.751 2.961 639 HB2 ALA 78 1HB ALA 78 -0.587 16.406 1.366 640 HB3 ALA 78 2HB ALA 78 -0.267 17.495 2.714 641 H SER 79 H SER 79 1.280 15.092 3.972 642 HA SER 79 HA SER 79 2.616 16.746 5.866 643 HB2 SER 79 1HB SER 79 2.109 15.061 7.421 644 HB3 SER 79 2HB SER 79 0.848 14.847 6.214 645 HG SER 79 HG SER 79 1.642 12.870 6.296 646 H ALA 80 H ALA 80 4.606 16.532 6.832 647 HA ALA 80 HA ALA 80 6.664 15.117 5.261 648 HB1 ALA 80 3HB ALA 80 8.253 16.570 6.286 649 HB2 ALA 80 1HB ALA 80 7.103 17.074 7.525 650 HB3 ALA 80 2HB ALA 80 6.882 17.592 5.853 651 H LYS 81 H LYS 81 4.648 14.355 7.595 652 HA LYS 81 HA LYS 81 5.986 13.571 9.846 653 HB2 LYS 81 1HB LYS 81 3.696 12.266 8.379 654 HB3 LYS 81 2HB LYS 81 4.246 11.761 9.979 655 HG2 LYS 81 1HG LYS 81 3.792 13.908 10.909 656 HG3 LYS 81 2HG LYS 81 3.540 14.614 9.330 657 HD2 LYS 81 1HD LYS 81 1.359 14.257 10.311 658 HD3 LYS 81 2HD LYS 81 1.572 13.057 9.038 659 HE2 LYS 81 1HE LYS 81 2.101 11.346 10.631 660 HE3 LYS 81 2HE LYS 81 2.188 12.514 11.946 661 HZ1 LYS 81 3HZ LYS 81 -0.258 12.985 11.069 662 HZ2 LYS 81 1HZ LYS 81 0.077 11.816 12.250 663 HZ3 LYS 81 2HZ LYS 81 -0.135 11.349 10.630 664 H SER 82 H SER 82 6.706 11.626 10.587 665 HA SER 82 HA SER 82 8.610 10.341 8.876 666 HB2 SER 82 1HB SER 82 7.782 10.058 11.732 667 HB3 SER 82 2HB SER 82 8.826 8.836 11.012 668 HG SER 82 HG SER 82 10.339 10.239 11.443 669 H LEU 83 H LEU 83 8.743 8.186 8.315 670 HA LEU 83 HA LEU 83 6.461 7.046 7.158 671 HB2 LEU 83 1HB LEU 83 9.120 5.851 7.944 672 HB3 LEU 83 2HB LEU 83 7.959 5.075 6.880 673 HG LEU 83 HG LEU 83 8.990 7.848 6.277 674 HD11 LEU 83 1HD1 LEU 83 10.165 5.223 5.314 675 HD12 LEU 83 2HD1 LEU 83 10.894 6.243 6.554 676 HD13 LEU 83 3HD1 LEU 83 10.731 6.843 4.902 677 HD21 LEU 83 3HD2 LEU 83 7.050 7.166 4.966 678 HD22 LEU 83 1HD2 LEU 83 7.785 5.600 4.619 679 HD23 LEU 83 2HD2 LEU 83 8.468 7.071 3.931 680 H GLN 84 H GLN 84 8.211 6.211 10.122 681 HA GLN 84 HA GLN 84 6.759 3.900 10.786 682 HB2 GLN 84 1HB GLN 84 8.190 5.899 12.541 683 HB3 GLN 84 2HB GLN 84 7.546 4.369 13.133 684 HG2 GLN 84 1HG GLN 84 9.549 4.632 10.870 685 HG3 GLN 84 2HG GLN 84 9.972 4.243 12.535 686 HE21 GLN 84 2HE2 GLN 84 9.280 2.830 9.570 687 HE22 GLN 84 1HE2 GLN 84 8.810 1.290 10.111 688 H GLU 85 H GLU 85 6.161 7.276 11.674 689 HA GLU 85 HA GLU 85 3.938 6.713 13.353 690 HB2 GLU 85 1HB GLU 85 4.946 9.196 11.976 691 HB3 GLU 85 2HB GLU 85 3.428 9.211 12.871 692 HG2 GLU 85 1HG GLU 85 5.060 9.905 14.447 693 HG3 GLU 85 2HG GLU 85 4.780 8.216 14.840 694 H LEU 86 H LEU 86 4.207 7.523 9.906 695 HA LEU 86 HA LEU 86 1.436 7.814 9.432 696 HB2 LEU 86 1HB LEU 86 3.709 7.047 7.600 697 HB3 LEU 86 2HB LEU 86 2.067 7.349 7.033 698 HG LEU 86 HG LEU 86 3.693 9.343 8.639 699 HD11 LEU 86 1HD1 LEU 86 4.738 8.830 6.433 700 HD12 LEU 86 2HD1 LEU 86 4.145 10.488 6.534 701 HD13 LEU 86 3HD1 LEU 86 3.224 9.274 5.644 702 HD21 LEU 86 3HD2 LEU 86 1.455 10.001 8.855 703 HD22 LEU 86 1HD2 LEU 86 1.012 9.412 7.253 704 HD23 LEU 86 2HD2 LEU 86 1.953 10.896 7.430 705 H LEU 87 H LEU 87 3.551 4.961 9.136 706 HA LEU 87 HA LEU 87 1.356 3.315 8.243 707 HB2 LEU 87 1HB LEU 87 2.933 1.494 8.209 708 HB3 LEU 87 2HB LEU 87 3.688 2.923 7.521 709 HG LEU 87 HG LEU 87 4.503 3.263 10.065 710 HD11 LEU 87 1HD1 LEU 87 4.049 0.276 9.792 711 HD12 LEU 87 2HD1 LEU 87 3.501 1.331 11.091 712 HD13 LEU 87 3HD1 LEU 87 5.211 0.966 10.921 713 HD21 LEU 87 3HD2 LEU 87 6.023 3.126 8.174 714 HD22 LEU 87 1HD2 LEU 87 5.744 1.390 8.030 715 HD23 LEU 87 2HD2 LEU 87 6.598 2.029 9.431 716 H SER 88 H SER 88 2.665 4.253 11.280 717 HA SER 88 HA SER 88 1.884 2.047 12.849 718 HB2 SER 88 1HB SER 88 2.208 4.972 13.501 719 HB3 SER 88 2HB SER 88 1.789 3.774 14.722 720 HG SER 88 HG SER 88 4.068 4.159 14.501 721 H ALA 89 H ALA 89 0.126 4.966 11.877 722 HA ALA 89 HA ALA 89 -2.297 4.062 13.251 723 HB1 ALA 89 3HB ALA 89 -1.626 6.528 11.641 724 HB2 ALA 89 1HB ALA 89 -1.884 6.411 13.383 725 HB3 ALA 89 2HB ALA 89 -3.238 6.195 12.274 726 H HIS 90 H HIS 90 -1.204 4.701 9.936 727 HA HIS 90 HA HIS 90 -3.644 3.980 8.697 728 HB2 HIS 90 1HB HIS 90 -0.826 4.215 7.626 729 HB3 HIS 90 2HB HIS 90 -2.228 3.892 6.601 730 HD1 HIS 90 HD1 HIS 90 -4.352 5.689 7.603 731 HD2 HIS 90 HD2 HIS 90 -0.383 6.953 7.441 732 HE1 HIS 90 HE1 HIS 90 -4.406 8.220 7.524 733 HE2 HIS 90 HE2 HIS 90 -1.993 9.001 7.448 734 H SER 91 H SER 91 -0.749 2.062 9.431 735 HA SER 91 HA SER 91 -0.920 -0.164 7.998 736 HB2 SER 91 1HB SER 91 -0.447 -1.475 10.185 737 HB3 SER 91 2HB SER 91 0.687 -0.238 9.676 738 HG SER 91 HG SER 91 0.221 0.822 11.430 739 H LEU 92 H LEU 92 -2.585 -1.103 7.236 740 HA LEU 92 HA LEU 92 -5.003 -1.637 8.823 741 HB2 LEU 92 1HB LEU 92 -4.331 -2.175 5.920 742 HB3 LEU 92 2HB LEU 92 -5.896 -2.490 6.664 743 HG LEU 92 HG LEU 92 -4.569 0.227 6.603 744 HD11 LEU 92 1HD1 LEU 92 -6.666 0.532 4.934 745 HD12 LEU 92 2HD1 LEU 92 -6.328 -1.165 4.616 746 HD13 LEU 92 3HD1 LEU 92 -5.074 0.048 4.358 747 HD21 LEU 92 3HD2 LEU 92 -6.144 0.269 8.365 748 HD22 LEU 92 1HD2 LEU 92 -7.257 -0.803 7.519 749 HD23 LEU 92 2HD2 LEU 92 -7.077 0.870 7.002 750 H SER 93 H SER 93 -2.054 -3.078 8.339 751 HA SER 93 HA SER 93 -3.177 -5.788 8.825 752 HB2 SER 93 1HB SER 93 -2.475 -5.769 6.548 753 HB3 SER 93 2HB SER 93 -0.961 -4.970 6.954 754 HG SER 93 HG SER 93 -0.155 -6.822 7.544 755 H SER 94 H SER 94 -2.005 -7.157 10.119 756 HA SER 94 HA SER 94 0.021 -5.868 11.842 757 HB2 SER 94 1HB SER 94 -1.609 -8.372 12.334 758 HB3 SER 94 2HB SER 94 -0.534 -7.576 13.480 759 HG SER 94 HG SER 94 -3.065 -7.085 13.093 760 H TRP 95 H TRP 95 0.412 -7.176 9.123 761 HA TRP 95 HA TRP 95 2.638 -8.939 9.943 762 HB2 TRP 95 1HB TRP 95 2.088 -10.617 8.347 763 HB3 TRP 95 2HB TRP 95 0.602 -10.275 9.225 764 HD1 TRP 95 HD1 TRP 95 2.325 -9.232 5.931 765 HE1 TRP 95 HE1 TRP 95 0.481 -8.746 4.197 766 HE3 TRP 95 HE3 TRP 95 -1.822 -9.918 8.832 767 HZ2 TRP 95 HZ2 TRP 95 -2.374 -8.654 4.060 768 HZ3 TRP 95 HZ3 TRP 95 -4.088 -9.618 7.877 769 HH2 TRP 95 HH2 TRP 95 -4.369 -8.990 5.499 770 H GLY 96 H GLY 96 4.181 -9.326 8.135 771 HA2 GLY 96 1HA GLY 96 4.471 -8.097 5.755 772 HA3 GLY 96 2HA GLY 96 4.810 -6.782 6.872 773 H ALA 97 H ALA 97 5.650 -10.255 6.766 774 HA ALA 97 HA ALA 97 7.735 -11.265 6.594 775 HB1 ALA 97 3HB ALA 97 9.632 -10.084 5.983 776 HB2 ALA 97 1HB ALA 97 9.216 -8.684 6.974 777 HB3 ALA 97 2HB ALA 97 8.382 -8.961 5.446 778 H GLU 98 H GLU 98 6.277 -11.053 8.960 779 HA GLU 98 HA GLU 98 8.350 -11.533 10.878 780 HB2 GLU 98 1HB GLU 98 7.644 -9.788 12.496 781 HB3 GLU 98 2HB GLU 98 8.352 -9.105 11.030 782 HG2 GLU 98 1HG GLU 98 6.081 -8.740 10.114 783 HG3 GLU 98 2HG GLU 98 5.385 -9.400 11.592 784 H VAL 99 H VAL 99 7.669 -12.795 12.520 785 HA VAL 99 HA VAL 99 4.777 -13.150 12.988 786 HB VAL 99 HB VAL 99 5.183 -15.643 13.052 787 HG11 VAL 99 1HG1 VAL 99 5.061 -15.902 10.606 788 HG12 VAL 99 2HG1 VAL 99 5.649 -14.253 10.396 789 HG13 VAL 99 3HG1 VAL 99 4.074 -14.539 11.137 790 HG21 VAL 99 3HG2 VAL 99 7.712 -14.871 11.560 791 HG22 VAL 99 1HG2 VAL 99 7.162 -16.508 11.915 792 HG23 VAL 99 2HG2 VAL 99 7.676 -15.448 13.226 793 H LYS 100 H LYS 100 6.256 -11.699 14.688 794 HA LYS 100 HA LYS 100 7.700 -13.127 16.630 795 HB2 LYS 100 1HB LYS 100 7.811 -11.132 17.829 796 HB3 LYS 100 2HB LYS 100 7.599 -10.580 16.177 797 HG2 LYS 100 1HG LYS 100 5.343 -10.823 18.209 798 HG3 LYS 100 2HG LYS 100 6.199 -9.344 17.841 799 HD2 LYS 100 1HD LYS 100 4.805 -10.927 15.680 800 HD3 LYS 100 2HD LYS 100 3.969 -9.708 16.621 801 HE2 LYS 100 1HE LYS 100 5.908 -8.131 15.916 802 HE3 LYS 100 2HE LYS 100 6.275 -9.360 14.707 803 HZ1 LYS 100 3HZ LYS 100 3.545 -8.288 15.027 804 HZ2 LYS 100 1HZ LYS 100 4.223 -9.080 13.687 805 HZ3 LYS 100 2HZ LYS 100 4.696 -7.491 14.063 806 H HIS 101 H HIS 101 4.254 -12.172 16.624 807 HA HIS 101 HA HIS 101 3.666 -13.249 19.168 808 HB2 HIS 101 1HB HIS 101 2.278 -11.573 17.914 809 HB3 HIS 101 2HB HIS 101 1.747 -12.886 16.864 810 HD1 HIS 101 HD1 HIS 101 0.455 -14.906 18.082 811 HD2 HIS 101 HD2 HIS 101 0.960 -11.457 20.369 812 HE1 HIS 101 HE1 HIS 101 -1.143 -15.101 20.039 813 HE2 HIS 101 HE2 HIS 101 -0.864 -12.991 21.428 814 H HIS 102 H HIS 102 3.373 -14.620 15.892 815 HA HIS 102 HA HIS 102 2.540 -17.202 17.074 816 HB2 HIS 102 1HB HIS 102 2.405 -16.160 14.240 817 HB3 HIS 102 2HB HIS 102 1.941 -17.789 14.729 818 HD1 HIS 102 HD1 HIS 102 -0.065 -17.959 16.488 819 HD2 HIS 102 HD2 HIS 102 0.449 -14.214 14.727 820 HE1 HIS 102 HE1 HIS 102 -2.212 -16.677 16.888 821 HE2 HIS 102 HE2 HIS 102 -1.906 -14.385 15.846 822 H HIS 103 H HIS 103 3.601 -19.092 16.673 823 HA HIS 103 HA HIS 103 6.099 -19.057 15.109 824 HB2 HIS 103 1HB HIS 103 6.739 -18.577 17.446 825 HB3 HIS 103 2HB HIS 103 5.879 -20.023 17.973 826 HD1 HIS 103 HD1 HIS 103 8.851 -18.990 15.853 827 HD2 HIS 103 HD2 HIS 103 7.291 -22.406 17.660 828 HE1 HIS 103 HE1 HIS 103 10.616 -20.794 15.615 829 HE2 HIS 103 HE2 HIS 103 9.677 -22.886 16.708 830 H HIS 104 H HIS 104 3.846 -20.976 17.076 831 HA HIS 104 HA HIS 104 4.505 -23.425 15.663 832 HB2 HIS 104 1HB HIS 104 2.510 -24.255 17.136 833 HB3 HIS 104 2HB HIS 104 4.032 -23.827 17.919 834 HD1 HIS 104 HD1 HIS 104 4.133 -21.509 19.149 835 HD2 HIS 104 HD2 HIS 104 0.343 -22.552 17.764 836 HE1 HIS 104 HE1 HIS 104 2.498 -19.948 20.294 837 HE2 HIS 104 HE2 HIS 104 0.184 -20.566 19.452 838 H HIS 105 H HIS 105 2.713 -24.771 14.749 839 HA HIS 105 HA HIS 105 0.864 -23.080 13.152 840 HB2 HIS 105 1HB HIS 105 2.079 -25.777 12.515 841 HB3 HIS 105 2HB HIS 105 0.945 -24.896 11.489 842 HD1 HIS 105 HD1 HIS 105 1.817 -22.355 10.832 843 HD2 HIS 105 HD2 HIS 105 4.717 -25.102 12.027 844 HE1 HIS 105 HE1 HIS 105 4.040 -21.452 10.020 845 HE2 HIS 105 HE2 HIS 105 5.815 -23.125 10.726 846 H HIS 106 H HIS 106 -1.256 -23.742 12.859 847 HA HIS 106 HA HIS 106 -2.717 -24.777 14.909 848 HB2 HIS 106 1HB HIS 106 -3.229 -25.053 11.940 849 HB3 HIS 106 2HB HIS 106 -4.433 -25.397 13.182 850 HD1 HIS 106 HD1 HIS 106 -5.288 -23.370 14.611 851 HD2 HIS 106 HD2 HIS 106 -2.742 -22.311 11.486 852 HE1 HIS 106 HE1 HIS 106 -5.505 -20.861 14.331 853 HE2 HIS 106 HE2 HIS 106 -3.955 -20.197 12.429 Start of MODEL 5 1 H1 MET 1 1H MET 1 9.067 14.075 0.775 2 H2 MET 1 2H MET 1 10.008 13.466 2.049 3 H3 MET 1 3H MET 1 9.388 12.410 0.871 4 HA MET 1 HA MET 1 10.818 14.299 -0.531 5 HB2 MET 1 1HB MET 1 11.720 14.390 2.086 6 HB3 MET 1 2HB MET 1 12.819 13.211 1.380 7 HG2 MET 1 1HG MET 1 12.325 16.055 0.450 8 HG3 MET 1 2HG MET 1 13.826 15.379 1.086 9 HE1 MET 1 3HE MET 1 14.929 16.520 -1.020 10 HE2 MET 1 1HE MET 1 15.495 15.309 -2.178 11 HE3 MET 1 2HE MET 1 15.673 15.031 -0.449 12 H LYS 2 H LYS 2 11.346 11.268 1.302 13 HA LYS 2 HA LYS 2 11.655 9.821 -1.257 14 HB2 LYS 2 1HB LYS 2 13.555 9.606 1.092 15 HB3 LYS 2 2HB LYS 2 13.627 8.648 -0.385 16 HG2 LYS 2 1HG LYS 2 13.991 10.701 -1.707 17 HG3 LYS 2 2HG LYS 2 13.911 11.665 -0.231 18 HD2 LYS 2 1HD LYS 2 15.866 10.517 0.674 19 HD3 LYS 2 2HD LYS 2 15.928 9.455 -0.734 20 HE2 LYS 2 1HE LYS 2 16.532 11.244 -2.182 21 HE3 LYS 2 2HE LYS 2 16.067 12.465 -0.997 22 HZ1 LYS 2 3HZ LYS 2 18.343 10.569 -0.796 23 HZ2 LYS 2 1HZ LYS 2 17.861 11.622 0.444 24 HZ3 LYS 2 2HZ LYS 2 18.440 12.250 -1.026 25 HA PRO 3 HA PRO 3 9.210 7.565 2.022 26 HB2 PRO 3 1HB PRO 3 6.745 7.633 0.930 27 HB3 PRO 3 2HB PRO 3 7.390 9.009 1.842 28 HG2 PRO 3 1HG PRO 3 7.205 8.633 -1.113 29 HG3 PRO 3 2HG PRO 3 6.879 10.080 -0.145 30 HD2 PRO 3 1HD PRO 3 9.265 9.638 -1.504 31 HD3 PRO 3 2HD PRO 3 9.112 10.705 -0.089 32 H LEU 4 H LEU 4 8.215 7.280 -1.394 33 HA LEU 4 HA LEU 4 8.394 4.358 -1.248 34 HB2 LEU 4 1HB LEU 4 7.046 6.315 -3.103 35 HB3 LEU 4 2HB LEU 4 7.371 4.667 -3.627 36 HG LEU 4 HG LEU 4 6.167 3.754 -1.733 37 HD11 LEU 4 1HD1 LEU 4 5.911 6.651 -0.969 38 HD12 LEU 4 2HD1 LEU 4 6.499 5.311 0.006 39 HD13 LEU 4 3HD1 LEU 4 4.779 5.445 -0.365 40 HD21 LEU 4 3HD2 LEU 4 4.028 4.114 -2.572 41 HD22 LEU 4 1HD2 LEU 4 5.022 4.631 -3.931 42 HD23 LEU 4 2HD2 LEU 4 4.306 5.828 -2.856 43 H SER 5 H SER 5 10.501 6.789 -1.942 44 HA SER 5 HA SER 5 11.612 5.810 -4.414 45 HB2 SER 5 1HB SER 5 12.557 7.806 -2.364 46 HB3 SER 5 2HB SER 5 13.531 7.371 -3.763 47 HG SER 5 HG SER 5 10.829 8.111 -4.064 48 H ASN 6 H ASN 6 11.697 4.691 -1.276 49 HA ASN 6 HA ASN 6 14.351 3.392 -1.617 50 HB2 ASN 6 1HB ASN 6 12.810 4.130 0.873 51 HB3 ASN 6 2HB ASN 6 14.291 3.179 0.869 52 HD21 ASN 6 2HD2 ASN 6 13.956 5.807 2.117 53 HD22 ASN 6 1HD2 ASN 6 15.037 6.863 1.343 54 H MET 7 H MET 7 11.443 2.488 -2.431 55 HA MET 7 HA MET 7 11.863 -0.257 -1.600 56 HB2 MET 7 1HB MET 7 9.434 -0.273 -0.632 57 HB3 MET 7 2HB MET 7 10.755 0.271 0.389 58 HG2 MET 7 1HG MET 7 10.237 2.622 -0.230 59 HG3 MET 7 2HG MET 7 8.906 2.037 -1.225 60 HE1 MET 7 3HE MET 7 6.111 1.706 0.528 61 HE2 MET 7 1HE MET 7 6.773 0.127 0.911 62 HE3 MET 7 2HE MET 7 7.110 0.856 -0.644 63 H LYS 8 H LYS 8 9.912 -1.643 -2.275 64 HA LYS 8 HA LYS 8 9.027 -0.816 -4.977 65 HB2 LYS 8 1HB LYS 8 9.644 -3.463 -3.676 66 HB3 LYS 8 2HB LYS 8 8.419 -3.434 -4.945 67 HG2 LYS 8 1HG LYS 8 10.570 -3.909 -5.967 68 HG3 LYS 8 2HG LYS 8 10.080 -2.282 -6.440 69 HD2 LYS 8 1HD LYS 8 11.514 -1.317 -4.709 70 HD3 LYS 8 2HD LYS 8 11.959 -2.928 -4.149 71 HE2 LYS 8 1HE LYS 8 12.422 -2.066 -7.007 72 HE3 LYS 8 2HE LYS 8 13.608 -1.745 -5.740 73 HZ1 LYS 8 3HZ LYS 8 13.272 -4.249 -5.234 74 HZ2 LYS 8 1HZ LYS 8 14.283 -3.781 -6.512 75 HZ3 LYS 8 2HZ LYS 8 12.704 -4.322 -6.834 76 H ILE 9 H ILE 9 6.811 -1.226 -5.578 77 HA ILE 9 HA ILE 9 4.933 -1.455 -3.286 78 HB ILE 9 HB ILE 9 4.910 0.464 -5.584 79 HG12 ILE 9 1HG1 ILE 9 6.285 0.897 -3.425 80 HG13 ILE 9 2HG1 ILE 9 5.246 2.189 -4.020 81 HG21 ILE 9 1HG2 ILE 9 2.740 -0.279 -3.636 82 HG22 ILE 9 2HG2 ILE 9 2.643 -0.138 -5.391 83 HG23 ILE 9 3HG2 ILE 9 2.765 1.313 -4.398 84 HD11 ILE 9 3HD1 ILE 9 4.327 0.200 -1.924 85 HD12 ILE 9 1HD1 ILE 9 3.568 1.724 -2.375 86 HD13 ILE 9 2HD1 ILE 9 5.102 1.720 -1.519 87 H LEU 10 H LEU 10 3.237 -2.768 -3.535 88 HA LEU 10 HA LEU 10 2.775 -3.989 -6.202 89 HB2 LEU 10 1HB LEU 10 3.545 -5.453 -4.269 90 HB3 LEU 10 2HB LEU 10 1.985 -5.144 -3.535 91 HG LEU 10 HG LEU 10 1.969 -6.094 -6.382 92 HD11 LEU 10 1HD1 LEU 10 2.674 -7.823 -4.007 93 HD12 LEU 10 2HD1 LEU 10 3.627 -7.575 -5.470 94 HD13 LEU 10 3HD1 LEU 10 2.103 -8.461 -5.554 95 HD21 LEU 10 3HD2 LEU 10 -0.145 -5.624 -5.156 96 HD22 LEU 10 1HD2 LEU 10 0.317 -6.799 -3.929 97 HD23 LEU 10 2HD2 LEU 10 -0.012 -7.326 -5.580 98 H THR 11 H THR 11 0.837 -3.737 -7.097 99 HA THR 11 HA THR 11 -1.249 -2.311 -5.552 100 HB THR 11 HB THR 11 -2.212 -1.863 -7.840 101 HG1 THR 11 HG1 THR 11 -1.314 -3.353 -9.120 102 HG21 THR 11 3HG2 THR 11 -0.953 -0.122 -6.785 103 HG22 THR 11 1HG2 THR 11 -0.353 -0.228 -8.438 104 HG23 THR 11 2HG2 THR 11 0.574 -0.941 -7.116 105 H LEU 12 H LEU 12 -2.964 -3.407 -4.878 106 HA LEU 12 HA LEU 12 -3.445 -6.143 -5.426 107 HB2 LEU 12 1HB LEU 12 -4.251 -4.604 -3.464 108 HB3 LEU 12 2HB LEU 12 -5.588 -4.215 -4.532 109 HG LEU 12 HG LEU 12 -6.277 -6.007 -3.063 110 HD11 LEU 12 1HD1 LEU 12 -7.145 -7.503 -4.633 111 HD12 LEU 12 2HD1 LEU 12 -5.706 -7.441 -5.640 112 HD13 LEU 12 3HD1 LEU 12 -6.819 -6.071 -5.601 113 HD21 LEU 12 3HD2 LEU 12 -5.074 -7.927 -2.590 114 HD22 LEU 12 1HD2 LEU 12 -3.739 -6.802 -2.845 115 HD23 LEU 12 2HD2 LEU 12 -4.214 -7.914 -4.130 116 H GLY 13 H GLY 13 -4.863 -3.152 -6.695 117 HA2 GLY 13 1HA GLY 13 -5.257 -3.917 -9.291 118 HA3 GLY 13 2HA GLY 13 -6.694 -4.501 -8.461 119 H LYS 14 H LYS 14 -8.348 -3.152 -8.698 120 HA LYS 14 HA LYS 14 -7.978 -0.388 -9.389 121 HB2 LYS 14 1HB LYS 14 -9.872 -1.790 -10.225 122 HB3 LYS 14 2HB LYS 14 -10.520 -1.819 -8.589 123 HG2 LYS 14 1HG LYS 14 -10.709 0.624 -8.583 124 HG3 LYS 14 2HG LYS 14 -9.999 0.698 -10.195 125 HD2 LYS 14 1HD LYS 14 -11.878 -0.615 -11.092 126 HD3 LYS 14 2HD LYS 14 -12.604 -0.691 -9.485 127 HE2 LYS 14 1HE LYS 14 -12.685 1.801 -9.449 128 HE3 LYS 14 2HE LYS 14 -12.032 1.823 -11.085 129 HZ1 LYS 14 3HZ LYS 14 -14.039 1.440 -11.915 130 HZ2 LYS 14 1HZ LYS 14 -14.680 1.630 -10.359 131 HZ3 LYS 14 2HZ LYS 14 -14.266 0.082 -10.918 132 H LEU 15 H LEU 15 -8.064 1.367 -8.110 133 HA LEU 15 HA LEU 15 -9.025 1.114 -5.347 134 HB2 LEU 15 1HB LEU 15 -7.080 1.996 -4.358 135 HB3 LEU 15 2HB LEU 15 -6.518 0.735 -5.440 136 HG LEU 15 HG LEU 15 -6.465 3.726 -5.957 137 HD11 LEU 15 1HD1 LEU 15 -4.211 1.707 -5.834 138 HD12 LEU 15 2HD1 LEU 15 -4.719 2.668 -4.445 139 HD13 LEU 15 3HD1 LEU 15 -4.068 3.462 -5.881 140 HD21 LEU 15 3HD2 LEU 15 -6.955 2.696 -8.058 141 HD22 LEU 15 1HD2 LEU 15 -5.854 1.360 -7.744 142 HD23 LEU 15 2HD2 LEU 15 -5.218 2.975 -8.056 143 H SER 16 H SER 16 -8.458 3.630 -4.409 144 HA SER 16 HA SER 16 -10.522 5.126 -5.583 145 HB2 SER 16 1HB SER 16 -9.831 5.448 -3.256 146 HB3 SER 16 2HB SER 16 -8.287 6.105 -3.794 147 HG SER 16 HG SER 16 -9.271 7.941 -3.989 148 H GLN 17 H GLN 17 -6.997 5.463 -5.912 149 HA GLN 17 HA GLN 17 -7.177 7.725 -7.678 150 HB2 GLN 17 1HB GLN 17 -4.959 5.877 -6.819 151 HB3 GLN 17 2HB GLN 17 -4.705 7.062 -8.101 152 HG2 GLN 17 1HG GLN 17 -5.056 8.883 -6.676 153 HG3 GLN 17 2HG GLN 17 -5.910 7.924 -5.473 154 HE21 GLN 17 2HE2 GLN 17 -4.671 7.650 -3.646 155 HE22 GLN 17 1HE2 GLN 17 -2.987 7.445 -3.611 156 H ASN 18 H ASN 18 -7.138 7.779 -9.866 157 HA ASN 18 HA ASN 18 -8.094 5.545 -11.311 158 HB2 ASN 18 1HB ASN 18 -6.749 8.026 -12.404 159 HB3 ASN 18 2HB ASN 18 -7.792 6.922 -13.292 160 HD21 ASN 18 2HD2 ASN 18 -7.755 9.555 -10.987 161 HD22 ASN 18 1HD2 ASN 18 -9.441 9.752 -10.907 162 H LYS 19 H LYS 19 -7.018 4.639 -13.238 163 HA LYS 19 HA LYS 19 -4.664 3.281 -12.552 164 HB2 LYS 19 1HB LYS 19 -6.114 2.310 -14.147 165 HB3 LYS 19 2HB LYS 19 -6.097 3.750 -15.159 166 HG2 LYS 19 1HG LYS 19 -3.417 2.528 -14.695 167 HG3 LYS 19 2HG LYS 19 -4.537 1.522 -15.603 168 HD2 LYS 19 1HD LYS 19 -4.879 3.287 -17.238 169 HD3 LYS 19 2HD LYS 19 -3.902 4.410 -16.290 170 HE2 LYS 19 1HE LYS 19 -1.913 3.142 -16.668 171 HE3 LYS 19 2HE LYS 19 -2.823 1.788 -17.321 172 HZ1 LYS 19 3HZ LYS 19 -3.443 4.124 -18.770 173 HZ2 LYS 19 1HZ LYS 19 -2.729 2.687 -19.318 174 HZ3 LYS 19 2HZ LYS 19 -1.754 3.939 -18.712 175 H ASP 20 H ASP 20 -5.123 6.084 -14.701 176 HA ASP 20 HA ASP 20 -2.339 6.297 -15.318 177 HB2 ASP 20 1HB ASP 20 -4.102 7.196 -16.783 178 HB3 ASP 20 2HB ASP 20 -4.550 8.356 -15.537 179 H GLU 21 H GLU 21 -4.495 7.888 -13.021 180 HA GLU 21 HA GLU 21 -2.585 9.765 -12.060 181 HB2 GLU 21 1HB GLU 21 -5.185 8.789 -10.892 182 HB3 GLU 21 2HB GLU 21 -4.212 10.067 -10.173 183 HG2 GLU 21 1HG GLU 21 -4.392 11.409 -12.194 184 HG3 GLU 21 2HG GLU 21 -5.279 10.124 -13.011 185 H ALA 22 H ALA 22 -3.709 6.641 -10.721 186 HA ALA 22 HA ALA 22 -2.322 6.794 -8.295 187 HB1 ALA 22 3HB ALA 22 -4.068 5.054 -9.091 188 HB2 ALA 22 1HB ALA 22 -2.763 4.494 -8.048 189 HB3 ALA 22 2HB ALA 22 -2.693 4.200 -9.786 190 H LYS 23 H LYS 23 -1.342 5.426 -11.406 191 HA LYS 23 HA LYS 23 1.203 4.486 -10.669 192 HB2 LYS 23 1HB LYS 23 0.047 5.428 -13.297 193 HB3 LYS 23 2HB LYS 23 1.626 4.656 -13.146 194 HG2 LYS 23 1HG LYS 23 0.611 2.649 -12.226 195 HG3 LYS 23 2HG LYS 23 -0.977 3.422 -12.203 196 HD2 LYS 23 1HD LYS 23 -0.924 3.662 -14.636 197 HD3 LYS 23 2HD LYS 23 0.670 2.898 -14.690 198 HE2 LYS 23 1HE LYS 23 -1.758 1.555 -13.486 199 HE3 LYS 23 2HE LYS 23 -1.295 1.350 -15.176 200 HZ1 LYS 23 3HZ LYS 23 0.364 0.696 -12.800 201 HZ2 LYS 23 1HZ LYS 23 0.879 0.561 -14.410 202 HZ3 LYS 23 2HZ LYS 23 -0.386 -0.419 -13.839 203 H ALA 24 H ALA 24 0.080 7.584 -11.987 204 HA ALA 24 HA ALA 24 2.612 8.761 -12.359 205 HB1 ALA 24 3HB ALA 24 1.372 10.910 -12.322 206 HB2 ALA 24 1HB ALA 24 -0.053 10.056 -11.733 207 HB3 ALA 24 2HB ALA 24 0.579 9.707 -13.342 208 H MET 25 H MET 25 0.413 8.722 -9.568 209 HA MET 25 HA MET 25 1.938 10.470 -7.944 210 HB2 MET 25 1HB MET 25 -0.208 10.289 -7.151 211 HB3 MET 25 2HB MET 25 -0.358 8.609 -7.639 212 HG2 MET 25 1HG MET 25 -0.374 8.966 -5.167 213 HG3 MET 25 2HG MET 25 0.885 7.872 -5.725 214 HE1 MET 25 3HE MET 25 1.228 12.087 -4.013 215 HE2 MET 25 1HE MET 25 0.071 10.832 -3.544 216 HE3 MET 25 2HE MET 25 0.008 11.538 -5.158 217 H ILE 26 H ILE 26 1.803 6.928 -8.196 218 HA ILE 26 HA ILE 26 3.640 6.347 -6.128 219 HB ILE 26 HB ILE 26 2.828 4.867 -8.642 220 HG12 ILE 26 1HG1 ILE 26 2.067 4.356 -5.752 221 HG13 ILE 26 2HG1 ILE 26 1.141 5.444 -6.784 222 HG21 ILE 26 1HG2 ILE 26 4.453 3.955 -6.240 223 HG22 ILE 26 2HG2 ILE 26 4.977 3.972 -7.924 224 HG23 ILE 26 3HG2 ILE 26 3.717 2.856 -7.406 225 HD11 ILE 26 3HD1 ILE 26 0.869 3.622 -8.430 226 HD12 ILE 26 1HD1 ILE 26 0.171 3.201 -6.868 227 HD13 ILE 26 2HD1 ILE 26 1.732 2.532 -7.345 228 H GLU 27 H GLU 27 4.098 6.806 -9.625 229 HA GLU 27 HA GLU 27 6.908 6.306 -9.558 230 HB2 GLU 27 1HB GLU 27 5.129 7.616 -11.619 231 HB3 GLU 27 2HB GLU 27 6.853 7.311 -11.859 232 HG2 GLU 27 1HG GLU 27 6.528 4.919 -11.497 233 HG3 GLU 27 2HG GLU 27 4.823 5.179 -11.133 234 H LYS 28 H LYS 28 4.927 9.195 -9.220 235 HA LYS 28 HA LYS 28 6.880 11.159 -9.640 236 HB2 LYS 28 1HB LYS 28 4.465 11.616 -9.438 237 HB3 LYS 28 2HB LYS 28 4.548 11.251 -7.717 238 HG2 LYS 28 1HG LYS 28 6.105 13.093 -7.365 239 HG3 LYS 28 2HG LYS 28 6.171 13.414 -9.097 240 HD2 LYS 28 1HD LYS 28 3.481 13.435 -7.738 241 HD3 LYS 28 2HD LYS 28 4.547 14.816 -7.502 242 HE2 LYS 28 1HE LYS 28 3.846 13.724 -10.238 243 HE3 LYS 28 2HE LYS 28 2.951 15.026 -9.456 244 HZ1 LYS 28 3HZ LYS 28 5.694 15.590 -9.291 245 HZ2 LYS 28 1HZ LYS 28 4.481 16.449 -10.111 246 HZ3 LYS 28 2HZ LYS 28 5.325 15.210 -10.907 247 H LEU 29 H LEU 29 5.911 9.548 -6.596 248 HA LEU 29 HA LEU 29 7.733 10.965 -4.935 249 HB2 LEU 29 1HB LEU 29 6.915 8.090 -4.502 250 HB3 LEU 29 2HB LEU 29 7.335 9.295 -3.293 251 HG LEU 29 HG LEU 29 4.838 9.058 -4.928 252 HD11 LEU 29 1HD1 LEU 29 5.146 9.602 -1.983 253 HD12 LEU 29 2HD1 LEU 29 5.121 7.974 -2.652 254 HD13 LEU 29 3HD1 LEU 29 3.721 9.015 -2.846 255 HD21 LEU 29 3HD2 LEU 29 4.176 11.267 -3.897 256 HD22 LEU 29 1HD2 LEU 29 5.396 11.377 -5.160 257 HD23 LEU 29 2HD2 LEU 29 5.874 11.480 -3.468 258 H GLY 30 H GLY 30 7.874 8.017 -6.769 259 HA2 GLY 30 1HA GLY 30 10.180 7.676 -7.820 260 HA3 GLY 30 2HA GLY 30 10.725 7.614 -6.147 261 H GLY 31 H GLY 31 7.662 6.492 -6.086 262 HA2 GLY 31 1HA GLY 31 8.362 3.843 -5.494 263 HA3 GLY 31 2HA GLY 31 6.729 4.421 -5.822 264 H LYS 32 H LYS 32 8.127 1.936 -6.561 265 HA LYS 32 HA LYS 32 7.749 2.022 -9.500 266 HB2 LYS 32 1HB LYS 32 9.795 0.504 -7.874 267 HB3 LYS 32 2HB LYS 32 9.453 0.184 -9.570 268 HG2 LYS 32 1HG LYS 32 10.120 2.460 -10.171 269 HG3 LYS 32 2HG LYS 32 10.346 2.867 -8.470 270 HD2 LYS 32 1HD LYS 32 12.534 2.381 -9.254 271 HD3 LYS 32 2HD LYS 32 12.036 0.922 -8.404 272 HE2 LYS 32 1HE LYS 32 11.494 -0.185 -10.488 273 HE3 LYS 32 2HE LYS 32 11.736 1.305 -11.398 274 HZ1 LYS 32 3HZ LYS 32 13.953 0.414 -9.743 275 HZ2 LYS 32 1HZ LYS 32 13.970 1.114 -11.287 276 HZ3 LYS 32 2HZ LYS 32 13.610 -0.537 -11.106 277 H LEU 33 H LEU 33 6.777 0.214 -10.406 278 HA LEU 33 HA LEU 33 5.325 -1.550 -8.512 279 HB2 LEU 33 1HB LEU 33 4.790 -0.918 -11.430 280 HB3 LEU 33 2HB LEU 33 3.824 -1.991 -10.423 281 HG LEU 33 HG LEU 33 4.311 0.939 -9.806 282 HD11 LEU 33 1HD1 LEU 33 2.959 0.647 -11.858 283 HD12 LEU 33 2HD1 LEU 33 1.974 1.264 -10.530 284 HD13 LEU 33 3HD1 LEU 33 1.877 -0.436 -10.988 285 HD21 LEU 33 3HD2 LEU 33 2.137 0.338 -8.373 286 HD22 LEU 33 1HD2 LEU 33 3.747 0.001 -7.746 287 HD23 LEU 33 2HD2 LEU 33 2.795 -1.294 -8.468 288 H THR 34 H THR 34 6.081 -3.545 -8.299 289 HA THR 34 HA THR 34 6.696 -5.319 -10.359 290 HB THR 34 HB THR 34 9.024 -3.669 -9.417 291 HG1 THR 34 HG1 THR 34 8.855 -4.915 -11.887 292 HG21 THR 34 3HG2 THR 34 9.158 -6.578 -10.262 293 HG22 THR 34 1HG2 THR 34 9.781 -5.863 -8.774 294 HG23 THR 34 2HG2 THR 34 10.537 -5.479 -10.319 295 H GLY 35 H GLY 35 7.645 -7.342 -9.558 296 HA2 GLY 35 1HA GLY 35 8.457 -8.666 -7.690 297 HA3 GLY 35 2HA GLY 35 7.555 -7.614 -6.607 298 H SER 36 H SER 36 7.554 -10.636 -7.463 299 HA SER 36 HA SER 36 5.017 -11.219 -8.540 300 HB2 SER 36 1HB SER 36 6.716 -12.848 -6.640 301 HB3 SER 36 2HB SER 36 5.324 -13.458 -7.529 302 HG SER 36 HG SER 36 7.719 -12.369 -8.602 303 H ALA 37 H ALA 37 6.120 -10.833 -5.188 304 HA ALA 37 HA ALA 37 3.573 -9.933 -4.312 305 HB1 ALA 37 3HB ALA 37 2.923 -11.798 -2.905 306 HB2 ALA 37 1HB ALA 37 4.359 -12.700 -3.390 307 HB3 ALA 37 2HB ALA 37 3.086 -12.364 -4.565 308 H ASN 38 H ASN 38 5.818 -12.026 -2.539 309 HA ASN 38 HA ASN 38 6.115 -10.222 -0.404 310 HB2 ASN 38 1HB ASN 38 6.474 -12.577 -0.054 311 HB3 ASN 38 2HB ASN 38 7.853 -12.562 -1.157 312 HD21 ASN 38 2HD2 ASN 38 6.728 -10.824 1.820 313 HD22 ASN 38 1HD2 ASN 38 8.263 -10.762 2.535 314 H LYS 39 H LYS 39 7.981 -10.631 -3.340 315 HA LYS 39 HA LYS 39 10.336 -9.334 -2.640 316 HB2 LYS 39 1HB LYS 39 8.827 -9.048 -5.251 317 HB3 LYS 39 2HB LYS 39 10.523 -8.666 -5.005 318 HG2 LYS 39 1HG LYS 39 9.321 -11.437 -4.657 319 HG3 LYS 39 2HG LYS 39 10.151 -10.876 -6.103 320 HD2 LYS 39 1HD LYS 39 12.212 -10.509 -4.791 321 HD3 LYS 39 2HD LYS 39 11.397 -11.094 -3.342 322 HE2 LYS 39 1HE LYS 39 11.038 -13.270 -4.343 323 HE3 LYS 39 2HE LYS 39 11.723 -12.720 -5.871 324 HZ1 LYS 39 3HZ LYS 39 13.296 -13.980 -4.476 325 HZ2 LYS 39 1HZ LYS 39 13.186 -12.775 -3.287 326 HZ3 LYS 39 2HZ LYS 39 13.837 -12.404 -4.811 327 H ALA 40 H ALA 40 7.157 -8.027 -3.300 328 HA ALA 40 HA ALA 40 7.882 -5.287 -3.496 329 HB1 ALA 40 3HB ALA 40 5.277 -6.271 -2.352 330 HB2 ALA 40 1HB ALA 40 5.646 -6.436 -4.073 331 HB3 ALA 40 2HB ALA 40 5.587 -4.835 -3.332 332 H SER 41 H SER 41 7.250 -3.590 -1.805 333 HA SER 41 HA SER 41 8.269 -4.535 0.812 334 HB2 SER 41 1HB SER 41 9.287 -2.558 -0.277 335 HB3 SER 41 2HB SER 41 7.730 -1.739 -0.175 336 HG SER 41 HG SER 41 7.882 -2.247 2.153 337 H LEU 42 H LEU 42 5.855 -2.137 -0.180 338 HA LEU 42 HA LEU 42 3.994 -3.228 1.860 339 HB2 LEU 42 1HB LEU 42 4.492 -0.337 1.139 340 HB3 LEU 42 2HB LEU 42 3.311 -0.926 2.308 341 HG LEU 42 HG LEU 42 6.303 -1.425 2.509 342 HD11 LEU 42 1HD1 LEU 42 6.498 0.386 3.949 343 HD12 LEU 42 2HD1 LEU 42 4.797 0.353 4.397 344 HD13 LEU 42 3HD1 LEU 42 5.284 1.015 2.841 345 HD21 LEU 42 3HD2 LEU 42 5.523 -1.921 4.948 346 HD22 LEU 42 1HD2 LEU 42 5.282 -3.150 3.719 347 HD23 LEU 42 2HD2 LEU 42 3.929 -2.131 4.220 348 H CYS 43 H CYS 43 2.290 -4.047 0.891 349 HA CYS 43 HA CYS 43 1.533 -3.352 -1.804 350 HB2 CYS 43 1HB CYS 43 1.188 -5.635 -1.174 351 HB3 CYS 43 2HB CYS 43 0.296 -5.168 0.275 352 HG CYS 43 HG CYS 43 -1.754 -4.708 -1.101 353 H ILE 44 H ILE 44 -0.227 -2.173 -2.479 354 HA ILE 44 HA ILE 44 -1.347 -0.349 -0.483 355 HB ILE 44 HB ILE 44 -1.582 -0.405 -3.501 356 HG12 ILE 44 1HG1 ILE 44 0.695 0.137 -2.362 357 HG13 ILE 44 2HG1 ILE 44 0.090 1.247 -3.586 358 HG21 ILE 44 1HG2 ILE 44 -3.521 0.705 -2.681 359 HG22 ILE 44 2HG2 ILE 44 -2.390 1.988 -3.106 360 HG23 ILE 44 3HG2 ILE 44 -2.603 1.529 -1.418 361 HD11 ILE 44 3HD1 ILE 44 -0.596 1.742 -0.694 362 HD12 ILE 44 1HD1 ILE 44 -0.455 2.894 -2.017 363 HD13 ILE 44 2HD1 ILE 44 0.993 2.193 -1.298 364 H SER 45 H SER 45 -3.005 -1.126 0.576 365 HA SER 45 HA SER 45 -5.400 -1.916 -0.882 366 HB2 SER 45 1HB SER 45 -4.544 -4.098 -0.639 367 HB3 SER 45 2HB SER 45 -3.902 -3.762 0.958 368 HG SER 45 HG SER 45 -6.017 -3.646 1.726 369 H THR 46 H THR 46 -7.186 -1.231 0.111 370 HA THR 46 HA THR 46 -6.885 0.257 2.606 371 HB THR 46 HB THR 46 -9.263 0.916 2.147 372 HG1 THR 46 HG1 THR 46 -10.291 0.067 0.506 373 HG21 THR 46 3HG2 THR 46 -7.434 2.322 1.360 374 HG22 THR 46 1HG2 THR 46 -8.701 2.282 0.134 375 HG23 THR 46 2HG2 THR 46 -7.240 1.315 -0.074 376 H LYS 47 H LYS 47 -8.631 0.021 4.249 377 HA LYS 47 HA LYS 47 -8.654 -2.550 5.324 378 HB2 LYS 47 1HB LYS 47 -9.070 -0.577 6.695 379 HB3 LYS 47 2HB LYS 47 -10.532 -0.230 5.790 380 HG2 LYS 47 1HG LYS 47 -10.924 -1.271 8.037 381 HG3 LYS 47 2HG LYS 47 -11.668 -2.127 6.694 382 HD2 LYS 47 1HD LYS 47 -10.637 -3.680 8.290 383 HD3 LYS 47 2HD LYS 47 -9.835 -3.770 6.742 384 HE2 LYS 47 1HE LYS 47 -7.980 -2.436 7.560 385 HE3 LYS 47 2HE LYS 47 -8.848 -2.091 9.057 386 HZ1 LYS 47 3HZ LYS 47 -7.305 -3.842 9.471 387 HZ2 LYS 47 1HZ LYS 47 -7.840 -4.719 8.123 388 HZ3 LYS 47 2HZ LYS 47 -8.862 -4.527 9.465 389 H LYS 48 H LYS 48 -11.041 -0.914 3.310 390 HA LYS 48 HA LYS 48 -13.101 -2.779 3.358 391 HB2 LYS 48 1HB LYS 48 -13.225 -0.552 2.253 392 HB3 LYS 48 2HB LYS 48 -12.165 -1.155 0.979 393 HG2 LYS 48 1HG LYS 48 -13.819 -2.894 0.414 394 HG3 LYS 48 2HG LYS 48 -14.876 -2.318 1.704 395 HD2 LYS 48 1HD LYS 48 -15.010 -0.108 0.591 396 HD3 LYS 48 2HD LYS 48 -13.972 -0.706 -0.703 397 HE2 LYS 48 1HE LYS 48 -16.326 -0.836 -1.379 398 HE3 LYS 48 2HE LYS 48 -15.647 -2.456 -1.226 399 HZ1 LYS 48 3HZ LYS 48 -17.921 -1.712 -0.079 400 HZ2 LYS 48 1HZ LYS 48 -16.841 -1.319 1.170 401 HZ3 LYS 48 2HZ LYS 48 -16.910 -2.909 0.576 402 H GLU 49 H GLU 49 -10.179 -2.685 1.295 403 HA GLU 49 HA GLU 49 -10.883 -4.973 -0.235 404 HB2 GLU 49 1HB GLU 49 -8.182 -3.778 0.410 405 HB3 GLU 49 2HB GLU 49 -8.447 -5.046 -0.782 406 HG2 GLU 49 1HG GLU 49 -9.975 -3.537 -2.023 407 HG3 GLU 49 2HG GLU 49 -9.674 -2.274 -0.823 408 H VAL 50 H VAL 50 -9.137 -4.508 2.795 409 HA VAL 50 HA VAL 50 -8.232 -7.184 3.110 410 HB VAL 50 HB VAL 50 -8.938 -5.200 5.268 411 HG11 VAL 50 1HG1 VAL 50 -7.271 -7.707 5.238 412 HG12 VAL 50 2HG1 VAL 50 -8.693 -7.374 6.226 413 HG13 VAL 50 3HG1 VAL 50 -7.185 -6.514 6.533 414 HG21 VAL 50 3HG2 VAL 50 -7.303 -4.079 3.991 415 HG22 VAL 50 1HG2 VAL 50 -6.447 -5.570 3.613 416 HG23 VAL 50 2HG2 VAL 50 -6.356 -4.880 5.238 417 H GLU 51 H GLU 51 -11.362 -5.685 3.518 418 HA GLU 51 HA GLU 51 -12.476 -7.567 5.352 419 HB2 GLU 51 1HB GLU 51 -13.850 -5.878 3.233 420 HB3 GLU 51 2HB GLU 51 -14.666 -6.742 4.527 421 HG2 GLU 51 1HG GLU 51 -13.427 -5.389 6.193 422 HG3 GLU 51 2HG GLU 51 -12.652 -4.517 4.898 423 H LYS 52 H LYS 52 -12.139 -7.350 1.914 424 HA LYS 52 HA LYS 52 -13.855 -9.383 1.060 425 HB2 LYS 52 1HB LYS 52 -11.272 -8.475 -0.217 426 HB3 LYS 52 2HB LYS 52 -12.656 -9.224 -1.021 427 HG2 LYS 52 1HG LYS 52 -14.067 -7.315 -0.168 428 HG3 LYS 52 2HG LYS 52 -12.586 -6.567 0.392 429 HD2 LYS 52 1HD LYS 52 -11.690 -6.496 -1.869 430 HD3 LYS 52 2HD LYS 52 -13.129 -7.313 -2.481 431 HE2 LYS 52 1HE LYS 52 -14.520 -5.433 -1.627 432 HE3 LYS 52 2HE LYS 52 -13.052 -4.614 -1.104 433 HZ1 LYS 52 3HZ LYS 52 -12.453 -5.167 -3.643 434 HZ2 LYS 52 1HZ LYS 52 -13.177 -3.708 -3.148 435 HZ3 LYS 52 2HZ LYS 52 -14.132 -4.965 -3.772 436 H MET 53 H MET 53 -10.385 -9.533 1.883 437 HA MET 53 HA MET 53 -8.969 -11.353 2.100 438 HB2 MET 53 1HB MET 53 -11.583 -12.574 3.028 439 HB3 MET 53 2HB MET 53 -10.023 -13.390 3.153 440 HG2 MET 53 1HG MET 53 -10.430 -10.626 4.291 441 HG3 MET 53 2HG MET 53 -10.832 -12.069 5.220 442 HE1 MET 53 3HE MET 53 -8.121 -9.638 4.154 443 HE2 MET 53 1HE MET 53 -7.007 -10.110 5.442 444 HE3 MET 53 2HE MET 53 -8.683 -9.731 5.824 445 H SER 54 H SER 54 -9.803 -10.834 -0.446 446 HA SER 54 HA SER 54 -10.889 -13.123 -1.783 447 HB2 SER 54 1HB SER 54 -10.690 -11.865 -3.729 448 HB3 SER 54 2HB SER 54 -10.766 -10.597 -2.508 449 HG SER 54 HG SER 54 -8.275 -11.205 -2.590 450 H LYS 55 H LYS 55 -9.540 -13.994 -3.742 451 HA LYS 55 HA LYS 55 -7.497 -15.609 -2.704 452 HB2 LYS 55 1HB LYS 55 -8.196 -14.873 -5.553 453 HB3 LYS 55 2HB LYS 55 -6.984 -16.086 -5.136 454 HG2 LYS 55 1HG LYS 55 -8.689 -17.337 -3.850 455 HG3 LYS 55 2HG LYS 55 -9.897 -16.128 -4.280 456 HD2 LYS 55 1HD LYS 55 -9.545 -16.659 -6.686 457 HD3 LYS 55 2HD LYS 55 -8.399 -17.915 -6.216 458 HE2 LYS 55 1HE LYS 55 -11.275 -17.818 -5.268 459 HE3 LYS 55 2HE LYS 55 -10.727 -18.777 -6.642 460 HZ1 LYS 55 3HZ LYS 55 -10.360 -20.339 -5.100 461 HZ2 LYS 55 1HZ LYS 55 -10.379 -19.233 -3.814 462 HZ3 LYS 55 2HZ LYS 55 -8.962 -19.450 -4.725 463 H LYS 56 H LYS 56 -7.340 -12.563 -4.523 464 HA LYS 56 HA LYS 56 -4.535 -12.477 -4.792 465 HB2 LYS 56 1HB LYS 56 -6.525 -10.204 -4.579 466 HB3 LYS 56 2HB LYS 56 -4.850 -10.025 -5.089 467 HG2 LYS 56 1HG LYS 56 -6.874 -11.788 -6.506 468 HG3 LYS 56 2HG LYS 56 -6.507 -10.142 -7.001 469 HD2 LYS 56 1HD LYS 56 -4.141 -10.796 -7.371 470 HD3 LYS 56 2HD LYS 56 -4.533 -12.453 -6.929 471 HE2 LYS 56 1HE LYS 56 -6.175 -12.559 -8.768 472 HE3 LYS 56 2HE LYS 56 -5.735 -10.915 -9.233 473 HZ1 LYS 56 3HZ LYS 56 -3.360 -11.865 -9.276 474 HZ2 LYS 56 1HZ LYS 56 -4.391 -12.194 -10.583 475 HZ3 LYS 56 2HZ LYS 56 -4.128 -13.376 -9.390 476 H MET 57 H MET 57 -6.723 -11.406 -2.238 477 HA MET 57 HA MET 57 -4.790 -10.128 -0.641 478 HB2 MET 57 1HB MET 57 -7.525 -10.544 -0.490 479 HB3 MET 57 2HB MET 57 -6.938 -11.529 0.845 480 HG2 MET 57 1HG MET 57 -6.406 -8.582 0.383 481 HG3 MET 57 2HG MET 57 -7.354 -9.289 1.688 482 HE1 MET 57 3HE MET 57 -5.141 -11.934 2.617 483 HE2 MET 57 1HE MET 57 -6.612 -11.061 3.072 484 HE3 MET 57 2HE MET 57 -5.158 -10.902 4.039 485 H GLU 58 H GLU 58 -5.811 -13.508 -0.874 486 HA GLU 58 HA GLU 58 -4.361 -14.452 1.357 487 HB2 GLU 58 1HB GLU 58 -5.144 -15.852 -1.211 488 HB3 GLU 58 2HB GLU 58 -4.424 -16.667 0.174 489 HG2 GLU 58 1HG GLU 58 -6.287 -15.977 1.595 490 HG3 GLU 58 2HG GLU 58 -6.992 -15.059 0.265 491 H GLU 59 H GLU 59 -3.415 -13.864 -2.002 492 HA GLU 59 HA GLU 59 -0.881 -15.117 -1.936 493 HB2 GLU 59 1HB GLU 59 -1.697 -12.651 -3.490 494 HB3 GLU 59 2HB GLU 59 -0.382 -13.745 -3.886 495 HG2 GLU 59 1HG GLU 59 -3.134 -14.919 -3.607 496 HG3 GLU 59 2HG GLU 59 -2.788 -13.985 -5.046 497 H VAL 60 H VAL 60 -1.912 -11.804 -1.267 498 HA VAL 60 HA VAL 60 0.657 -10.733 -0.672 499 HB VAL 60 HB VAL 60 -2.122 -9.892 0.222 500 HG11 VAL 60 1HG1 VAL 60 0.522 -8.409 0.346 501 HG12 VAL 60 2HG1 VAL 60 -0.434 -8.939 1.728 502 HG13 VAL 60 3HG1 VAL 60 -1.054 -7.686 0.654 503 HG21 VAL 60 3HG2 VAL 60 -1.710 -9.900 -2.226 504 HG22 VAL 60 1HG2 VAL 60 -0.302 -8.865 -1.978 505 HG23 VAL 60 2HG2 VAL 60 -1.918 -8.265 -1.602 506 H LYS 61 H LYS 61 -1.900 -12.147 1.354 507 HA LYS 61 HA LYS 61 -0.613 -11.806 3.849 508 HB2 LYS 61 1HB LYS 61 -2.982 -12.431 3.646 509 HB3 LYS 61 2HB LYS 61 -2.527 -13.983 2.949 510 HG2 LYS 61 1HG LYS 61 -1.283 -14.524 5.058 511 HG3 LYS 61 2HG LYS 61 -1.815 -12.990 5.734 512 HD2 LYS 61 1HD LYS 61 -3.776 -15.049 4.708 513 HD3 LYS 61 2HD LYS 61 -3.169 -15.088 6.362 514 HE2 LYS 61 1HE LYS 61 -3.951 -12.658 6.558 515 HE3 LYS 61 2HE LYS 61 -4.784 -12.917 5.029 516 HZ1 LYS 61 3HZ LYS 61 -5.158 -14.823 7.230 517 HZ2 LYS 61 1HZ LYS 61 -6.196 -14.457 5.939 518 HZ3 LYS 61 2HZ LYS 61 -6.026 -13.361 7.226 519 H ALA 62 H ALA 62 -0.568 -14.462 1.508 520 HA ALA 62 HA ALA 62 1.155 -16.171 2.957 521 HB1 ALA 62 3HB ALA 62 1.456 -17.333 0.815 522 HB2 ALA 62 1HB ALA 62 0.712 -15.977 -0.032 523 HB3 ALA 62 2HB ALA 62 -0.245 -16.951 1.085 524 H ALA 63 H ALA 63 1.731 -13.330 1.049 525 HA ALA 63 HA ALA 63 4.546 -13.945 0.636 526 HB1 ALA 63 3HB ALA 63 4.329 -12.494 -1.078 527 HB2 ALA 63 1HB ALA 63 3.873 -11.190 0.020 528 HB3 ALA 63 2HB ALA 63 2.648 -12.264 -0.631 529 H ASN 64 H ASN 64 2.748 -12.823 3.180 530 HA ASN 64 HA ASN 64 3.272 -11.704 5.103 531 HB2 ASN 64 1HB ASN 64 5.874 -12.870 4.182 532 HB3 ASN 64 2HB ASN 64 5.909 -11.767 5.541 533 HD21 ASN 64 2HD2 ASN 64 2.908 -13.269 5.711 534 HD22 ASN 64 1HD2 ASN 64 3.325 -14.543 6.747 535 H VAL 65 H VAL 65 2.634 -9.906 3.300 536 HA VAL 65 HA VAL 65 4.753 -7.812 3.420 537 HB VAL 65 HB VAL 65 2.600 -8.347 1.372 538 HG11 VAL 65 1HG1 VAL 65 4.173 -5.860 1.977 539 HG12 VAL 65 2HG1 VAL 65 2.521 -6.016 1.389 540 HG13 VAL 65 3HG1 VAL 65 3.877 -6.261 0.288 541 HG21 VAL 65 3HG2 VAL 65 4.400 -8.728 -0.120 542 HG22 VAL 65 1HG2 VAL 65 4.852 -9.569 1.364 543 HG23 VAL 65 2HG2 VAL 65 5.573 -8.004 0.982 544 H ARG 66 H ARG 66 4.271 -6.186 4.730 545 HA ARG 66 HA ARG 66 1.809 -5.929 6.074 546 HB2 ARG 66 1HB ARG 66 3.786 -4.956 7.039 547 HB3 ARG 66 2HB ARG 66 4.047 -3.943 5.632 548 HG2 ARG 66 1HG ARG 66 2.003 -2.686 6.104 549 HG3 ARG 66 2HG ARG 66 1.629 -3.759 7.452 550 HD2 ARG 66 1HD ARG 66 2.658 -1.706 8.310 551 HD3 ARG 66 2HD ARG 66 3.755 -3.052 8.558 552 HE ARG 66 HE ARG 66 4.244 -1.700 6.080 553 HH11 ARG 66 1HH2 ARG 66 4.773 -1.653 9.502 554 HH12 ARG 66 2HH2 ARG 66 6.158 -0.615 9.409 555 HH21 ARG 66 1HH1 ARG 66 6.038 -0.353 5.950 556 HH22 ARG 66 2HH1 ARG 66 6.887 0.115 7.382 557 H VAL 67 H VAL 67 0.251 -4.177 5.834 558 HA VAL 67 HA VAL 67 -0.206 -3.471 2.986 559 HB VAL 67 HB VAL 67 -2.104 -4.102 5.258 560 HG11 VAL 67 1HG1 VAL 67 -3.865 -3.711 3.420 561 HG12 VAL 67 2HG1 VAL 67 -2.598 -2.817 2.580 562 HG13 VAL 67 3HG1 VAL 67 -3.148 -2.282 4.163 563 HG21 VAL 67 3HG2 VAL 67 -2.780 -5.938 3.866 564 HG22 VAL 67 1HG2 VAL 67 -1.016 -5.955 3.910 565 HG23 VAL 67 2HG2 VAL 67 -1.857 -5.322 2.494 566 H VAL 68 H VAL 68 -0.469 -1.403 2.453 567 HA VAL 68 HA VAL 68 -0.782 0.618 4.602 568 HB VAL 68 HB VAL 68 0.921 0.692 2.098 569 HG11 VAL 68 1HG1 VAL 68 1.456 3.050 2.927 570 HG12 VAL 68 2HG1 VAL 68 0.023 2.911 3.947 571 HG13 VAL 68 3HG1 VAL 68 -0.135 2.839 2.193 572 HG21 VAL 68 3HG2 VAL 68 1.901 -0.356 4.122 573 HG22 VAL 68 1HG2 VAL 68 1.545 1.111 5.037 574 HG23 VAL 68 2HG2 VAL 68 2.709 1.157 3.713 575 H CYS 69 H CYS 69 -2.442 2.034 4.300 576 HA CYS 69 HA CYS 69 -4.300 1.534 2.176 577 HB2 CYS 69 1HB CYS 69 -5.320 2.188 4.174 578 HB3 CYS 69 2HB CYS 69 -4.181 3.493 4.448 579 HG CYS 69 HG CYS 69 -6.402 4.551 3.558 580 H GLU 70 H GLU 70 -5.005 3.000 0.603 581 HA GLU 70 HA GLU 70 -3.003 4.118 -0.990 582 HB2 GLU 70 1HB GLU 70 -5.192 3.293 -1.780 583 HB3 GLU 70 2HB GLU 70 -5.972 4.676 -1.015 584 HG2 GLU 70 1HG GLU 70 -4.696 6.207 -2.424 585 HG3 GLU 70 2HG GLU 70 -3.848 4.850 -3.169 586 H ASP 71 H ASP 71 -5.135 5.625 1.385 587 HA ASP 71 HA ASP 71 -4.686 8.309 0.691 588 HB2 ASP 71 1HB ASP 71 -5.347 6.993 3.323 589 HB3 ASP 71 2HB ASP 71 -5.244 8.743 3.138 590 H PHE 72 H PHE 72 -2.609 5.975 2.021 591 HA PHE 72 HA PHE 72 -0.874 7.518 3.608 592 HB2 PHE 72 1HB PHE 72 -0.807 5.061 3.532 593 HB3 PHE 72 2HB PHE 72 -0.242 5.130 1.863 594 HD1 PHE 72 HD1 PHE 72 1.958 6.182 1.320 595 HD2 PHE 72 HD2 PHE 72 0.706 5.438 5.366 596 HE1 PHE 72 HE1 PHE 72 4.303 6.357 2.076 597 HE2 PHE 72 HE2 PHE 72 3.058 5.639 6.128 598 HZ PHE 72 HZ PHE 72 4.860 6.094 4.480 599 H LEU 73 H LEU 73 -0.947 6.825 0.142 600 HA LEU 73 HA LEU 73 1.489 7.974 -0.624 601 HB2 LEU 73 1HB LEU 73 -1.167 7.830 -2.085 602 HB3 LEU 73 2HB LEU 73 0.356 8.270 -2.848 603 HG LEU 73 HG LEU 73 -0.137 5.659 -1.390 604 HD11 LEU 73 1HD1 LEU 73 -0.027 4.775 -3.829 605 HD12 LEU 73 2HD1 LEU 73 -0.404 6.433 -4.293 606 HD13 LEU 73 3HD1 LEU 73 -1.526 5.525 -3.281 607 HD21 LEU 73 3HD2 LEU 73 2.191 6.854 -2.873 608 HD22 LEU 73 1HD2 LEU 73 1.939 5.111 -2.942 609 HD23 LEU 73 2HD2 LEU 73 2.167 5.904 -1.387 610 H GLN 74 H GLN 74 -1.728 9.373 -0.292 611 HA GLN 74 HA GLN 74 -1.022 11.990 -1.146 612 HB2 GLN 74 1HB GLN 74 -3.326 11.025 0.557 613 HB3 GLN 74 2HB GLN 74 -3.204 12.616 -0.197 614 HG2 GLN 74 1HG GLN 74 -3.664 11.810 -2.306 615 HG3 GLN 74 2HG GLN 74 -2.774 10.316 -2.051 616 HE21 GLN 74 2HE2 GLN 74 -4.179 8.632 -2.341 617 HE22 GLN 74 1HE2 GLN 74 -5.759 8.557 -1.713 618 H ASP 75 H ASP 75 -1.140 10.375 1.976 619 HA ASP 75 HA ASP 75 -0.835 12.654 3.617 620 HB2 ASP 75 1HB ASP 75 -0.172 9.743 4.031 621 HB3 ASP 75 2HB ASP 75 0.049 10.953 5.292 622 H VAL 76 H VAL 76 1.677 10.404 2.359 623 HA VAL 76 HA VAL 76 3.791 11.830 3.607 624 HB VAL 76 HB VAL 76 5.267 10.690 1.920 625 HG11 VAL 76 1HG1 VAL 76 3.265 8.935 3.372 626 HG12 VAL 76 2HG1 VAL 76 4.706 9.658 4.090 627 HG13 VAL 76 3HG1 VAL 76 4.866 8.449 2.824 628 HG21 VAL 76 3HG2 VAL 76 2.569 9.717 0.945 629 HG22 VAL 76 1HG2 VAL 76 4.066 8.851 0.607 630 HG23 VAL 76 2HG2 VAL 76 3.846 10.494 0.011 631 H SER 77 H SER 77 2.311 11.993 0.410 632 HA SER 77 HA SER 77 4.089 13.944 -0.655 633 HB2 SER 77 1HB SER 77 2.298 14.349 -2.318 634 HB3 SER 77 2HB SER 77 2.658 12.636 -2.115 635 HG SER 77 HG SER 77 0.335 13.641 -1.974 636 H ALA 78 H ALA 78 0.948 14.286 1.004 637 HA ALA 78 HA ALA 78 0.905 17.133 0.768 638 HB1 ALA 78 3HB ALA 78 -1.108 15.652 1.125 639 HB2 ALA 78 1HB ALA 78 -1.017 17.054 2.193 640 HB3 ALA 78 2HB ALA 78 -0.580 15.456 2.794 641 H SER 79 H SER 79 1.637 14.915 3.443 642 HA SER 79 HA SER 79 3.072 17.115 4.830 643 HB2 SER 79 1HB SER 79 0.926 16.323 5.904 644 HB3 SER 79 2HB SER 79 1.682 14.748 6.103 645 HG SER 79 HG SER 79 1.839 16.392 7.885 646 H ALA 80 H ALA 80 5.136 16.696 5.445 647 HA ALA 80 HA ALA 80 6.243 14.028 4.789 648 HB1 ALA 80 3HB ALA 80 7.573 16.732 5.074 649 HB2 ALA 80 1HB ALA 80 7.289 15.859 3.568 650 HB3 ALA 80 2HB ALA 80 8.427 15.223 4.757 651 H LYS 81 H LYS 81 5.155 13.526 7.010 652 HA LYS 81 HA LYS 81 6.760 14.391 9.308 653 HB2 LYS 81 1HB LYS 81 4.426 12.482 9.266 654 HB3 LYS 81 2HB LYS 81 5.091 13.329 10.662 655 HG2 LYS 81 1HG LYS 81 4.497 15.483 9.617 656 HG3 LYS 81 2HG LYS 81 3.769 14.607 8.284 657 HD2 LYS 81 1HD LYS 81 2.908 14.234 11.160 658 HD3 LYS 81 2HD LYS 81 2.129 15.379 10.070 659 HE2 LYS 81 1HE LYS 81 1.763 13.405 8.479 660 HE3 LYS 81 2HE LYS 81 2.240 12.367 9.823 661 HZ1 LYS 81 3HZ LYS 81 -0.263 13.395 9.357 662 HZ2 LYS 81 1HZ LYS 81 0.341 14.295 10.661 663 HZ3 LYS 81 2HZ LYS 81 0.274 12.601 10.758 664 H SER 82 H SER 82 6.358 12.133 10.818 665 HA SER 82 HA SER 82 8.643 10.562 10.036 666 HB2 SER 82 1HB SER 82 6.761 10.489 12.384 667 HB3 SER 82 2HB SER 82 7.969 9.230 12.138 668 HG SER 82 HG SER 82 8.315 11.994 12.586 669 H LEU 83 H LEU 83 8.737 8.546 9.276 670 HA LEU 83 HA LEU 83 6.610 7.471 7.782 671 HB2 LEU 83 1HB LEU 83 8.895 7.077 7.167 672 HB3 LEU 83 2HB LEU 83 9.220 6.288 8.708 673 HG LEU 83 HG LEU 83 7.790 4.440 8.158 674 HD11 LEU 83 1HD1 LEU 83 6.959 6.195 5.841 675 HD12 LEU 83 2HD1 LEU 83 5.934 5.399 7.031 676 HD13 LEU 83 3HD1 LEU 83 6.735 4.449 5.786 677 HD21 LEU 83 3HD2 LEU 83 9.317 5.166 5.662 678 HD22 LEU 83 1HD2 LEU 83 8.976 3.549 6.268 679 HD23 LEU 83 2HD2 LEU 83 10.095 4.600 7.138 680 H GLN 84 H GLN 84 7.965 6.586 10.907 681 HA GLN 84 HA GLN 84 6.465 4.270 11.358 682 HB2 GLN 84 1HB GLN 84 7.686 6.232 13.303 683 HB3 GLN 84 2HB GLN 84 7.011 4.670 13.766 684 HG2 GLN 84 1HG GLN 84 9.204 5.012 11.709 685 HG3 GLN 84 2HG GLN 84 9.501 4.635 13.406 686 HE21 GLN 84 2HE2 GLN 84 9.210 3.164 10.430 687 HE22 GLN 84 1HE2 GLN 84 8.667 1.634 10.928 688 H GLU 85 H GLU 85 5.743 7.674 12.163 689 HA GLU 85 HA GLU 85 3.420 7.065 13.672 690 HB2 GLU 85 1HB GLU 85 4.574 9.236 13.837 691 HB3 GLU 85 2HB GLU 85 4.102 9.616 12.184 692 HG2 GLU 85 1HG GLU 85 2.528 10.705 13.642 693 HG3 GLU 85 2HG GLU 85 1.691 9.357 12.895 694 H LEU 86 H LEU 86 3.907 7.847 10.237 695 HA LEU 86 HA LEU 86 1.182 7.979 9.532 696 HB2 LEU 86 1HB LEU 86 3.629 7.246 7.921 697 HB3 LEU 86 2HB LEU 86 2.034 7.482 7.217 698 HG LEU 86 HG LEU 86 3.449 9.582 8.890 699 HD11 LEU 86 1HD1 LEU 86 3.232 9.362 5.874 700 HD12 LEU 86 2HD1 LEU 86 4.695 9.051 6.808 701 HD13 LEU 86 3HD1 LEU 86 4.004 10.672 6.768 702 HD21 LEU 86 3HD2 LEU 86 0.863 9.458 7.345 703 HD22 LEU 86 1HD2 LEU 86 1.721 10.995 7.431 704 HD23 LEU 86 2HD2 LEU 86 1.190 10.202 8.908 705 H LEU 87 H LEU 87 3.415 5.213 9.555 706 HA LEU 87 HA LEU 87 1.398 3.441 8.499 707 HB2 LEU 87 1HB LEU 87 3.062 1.731 8.589 708 HB3 LEU 87 2HB LEU 87 3.863 3.203 8.063 709 HG LEU 87 HG LEU 87 4.415 3.565 10.553 710 HD11 LEU 87 1HD1 LEU 87 4.766 0.995 11.461 711 HD12 LEU 87 2HD1 LEU 87 3.188 0.883 10.689 712 HD13 LEU 87 3HD1 LEU 87 3.468 2.067 11.961 713 HD21 LEU 87 3HD2 LEU 87 5.690 1.315 8.984 714 HD22 LEU 87 1HD2 LEU 87 6.442 2.141 10.348 715 HD23 LEU 87 2HD2 LEU 87 6.091 3.027 8.861 716 H SER 88 H SER 88 1.852 4.796 11.491 717 HA SER 88 HA SER 88 1.366 2.617 13.242 718 HB2 SER 88 1HB SER 88 0.722 4.282 14.870 719 HB3 SER 88 2HB SER 88 2.111 4.892 13.973 720 HG SER 88 HG SER 88 0.280 6.371 14.248 721 H ALA 89 H ALA 89 -0.737 4.696 11.292 722 HA ALA 89 HA ALA 89 -3.079 3.082 12.221 723 HB1 ALA 89 3HB ALA 89 -3.022 5.963 11.312 724 HB2 ALA 89 1HB ALA 89 -3.234 5.391 12.969 725 HB3 ALA 89 2HB ALA 89 -4.467 5.055 11.755 726 H HIS 90 H HIS 90 -1.566 4.649 9.434 727 HA HIS 90 HA HIS 90 -3.564 3.952 7.545 728 HB2 HIS 90 1HB HIS 90 -0.638 4.622 7.239 729 HB3 HIS 90 2HB HIS 90 -1.714 4.347 5.870 730 HD1 HIS 90 HD1 HIS 90 -4.245 5.751 6.823 731 HD2 HIS 90 HD2 HIS 90 -0.444 7.416 7.265 732 HE1 HIS 90 HE1 HIS 90 -4.577 8.254 7.075 733 HE2 HIS 90 HE2 HIS 90 -2.267 9.279 7.344 734 H SER 91 H SER 91 -0.853 2.228 8.875 735 HA SER 91 HA SER 91 -0.485 0.281 6.910 736 HB2 SER 91 1HB SER 91 0.496 -1.078 8.712 737 HB3 SER 91 2HB SER 91 1.088 0.578 8.735 738 HG SER 91 HG SER 91 0.484 0.070 10.809 739 H LEU 92 H LEU 92 -2.973 0.566 9.312 740 HA LEU 92 HA LEU 92 -4.864 -0.679 9.715 741 HB2 LEU 92 1HB LEU 92 -4.032 -2.409 7.369 742 HB3 LEU 92 2HB LEU 92 -5.594 -2.390 8.169 743 HG LEU 92 HG LEU 92 -4.367 0.027 6.811 744 HD11 LEU 92 1HD1 LEU 92 -5.614 -0.410 4.895 745 HD12 LEU 92 2HD1 LEU 92 -6.760 -1.436 5.748 746 HD13 LEU 92 3HD1 LEU 92 -5.155 -2.044 5.366 747 HD21 LEU 92 3HD2 LEU 92 -5.879 0.906 8.364 748 HD22 LEU 92 1HD2 LEU 92 -6.947 -0.494 8.286 749 HD23 LEU 92 2HD2 LEU 92 -6.933 0.680 6.973 750 H SER 93 H SER 93 -1.727 -2.068 9.377 751 HA SER 93 HA SER 93 -0.589 -3.706 10.482 752 HB2 SER 93 1HB SER 93 -0.925 -2.317 12.385 753 HB3 SER 93 2HB SER 93 -2.594 -2.853 12.570 754 HG SER 93 HG SER 93 -0.694 -3.851 13.850 755 H SER 94 H SER 94 -0.560 -5.772 10.112 756 HA SER 94 HA SER 94 -2.567 -7.574 11.042 757 HB2 SER 94 1HB SER 94 -3.528 -6.481 8.909 758 HB3 SER 94 2HB SER 94 -2.327 -7.426 8.049 759 HG SER 94 HG SER 94 -4.404 -8.344 9.753 760 H TRP 95 H TRP 95 -0.104 -7.302 8.442 761 HA TRP 95 HA TRP 95 1.536 -9.307 9.781 762 HB2 TRP 95 1HB TRP 95 1.715 -10.742 7.760 763 HB3 TRP 95 2HB TRP 95 0.108 -10.763 8.474 764 HD1 TRP 95 HD1 TRP 95 2.052 -9.392 5.506 765 HE1 TRP 95 HE1 TRP 95 0.395 -8.697 3.671 766 HE3 TRP 95 HE3 TRP 95 -2.344 -10.060 8.001 767 HZ2 TRP 95 HZ2 TRP 95 -2.443 -8.437 3.306 768 HZ3 TRP 95 HZ3 TRP 95 -4.509 -9.573 6.894 769 HH2 TRP 95 HH2 TRP 95 -4.560 -8.752 4.557 770 H GLY 96 H GLY 96 3.290 -9.868 7.682 771 HA2 GLY 96 1HA GLY 96 4.434 -8.414 5.928 772 HA3 GLY 96 2HA GLY 96 4.451 -7.180 7.185 773 H ALA 97 H ALA 97 5.222 -10.672 7.102 774 HA ALA 97 HA ALA 97 7.052 -11.827 7.892 775 HB1 ALA 97 3HB ALA 97 8.173 -10.651 6.048 776 HB2 ALA 97 1HB ALA 97 9.253 -10.788 7.438 777 HB3 ALA 97 2HB ALA 97 8.447 -9.260 7.095 778 H GLU 98 H GLU 98 5.676 -11.143 9.950 779 HA GLU 98 HA GLU 98 5.707 -10.666 12.189 780 HB2 GLU 98 1HB GLU 98 8.682 -10.868 11.691 781 HB3 GLU 98 2HB GLU 98 7.973 -10.690 13.295 782 HG2 GLU 98 1HG GLU 98 6.691 -12.745 12.992 783 HG3 GLU 98 2HG GLU 98 7.293 -12.907 11.345 784 H VAL 99 H VAL 99 7.102 -9.066 13.807 785 HA VAL 99 HA VAL 99 7.267 -6.424 12.496 786 HB VAL 99 HB VAL 99 6.019 -5.453 14.406 787 HG11 VAL 99 1HG1 VAL 99 3.833 -6.134 13.630 788 HG12 VAL 99 2HG1 VAL 99 4.461 -7.684 13.076 789 HG13 VAL 99 3HG1 VAL 99 4.917 -6.201 12.240 790 HG21 VAL 99 3HG2 VAL 99 4.655 -7.157 15.758 791 HG22 VAL 99 1HG2 VAL 99 6.370 -7.050 16.153 792 HG23 VAL 99 2HG2 VAL 99 5.775 -8.377 15.157 793 H LYS 100 H LYS 100 8.361 -4.826 13.844 794 HA LYS 100 HA LYS 100 10.860 -5.715 14.750 795 HB2 LYS 100 1HB LYS 100 9.372 -3.142 15.264 796 HB3 LYS 100 2HB LYS 100 11.088 -3.380 15.582 797 HG2 LYS 100 1HG LYS 100 11.653 -3.165 13.372 798 HG3 LYS 100 2HG LYS 100 10.337 -4.206 12.843 799 HD2 LYS 100 1HD LYS 100 9.790 -1.385 13.782 800 HD3 LYS 100 2HD LYS 100 10.302 -1.704 12.125 801 HE2 LYS 100 1HE LYS 100 8.401 -3.171 11.756 802 HE3 LYS 100 2HE LYS 100 7.922 -3.051 13.449 803 HZ1 LYS 100 3HZ LYS 100 7.525 -1.174 11.286 804 HZ2 LYS 100 1HZ LYS 100 8.067 -0.473 12.731 805 HZ3 LYS 100 2HZ LYS 100 6.639 -1.391 12.721 806 H HIS 101 H HIS 101 8.979 -3.703 16.921 807 HA HIS 101 HA HIS 101 9.266 -5.721 19.085 808 HB2 HIS 101 1HB HIS 101 9.699 -2.730 19.253 809 HB3 HIS 101 2HB HIS 101 9.759 -3.849 20.615 810 HD1 HIS 101 HD1 HIS 101 11.605 -5.871 20.295 811 HD2 HIS 101 HD2 HIS 101 12.135 -2.461 17.961 812 HE1 HIS 101 HE1 HIS 101 14.020 -5.897 19.523 813 HE2 HIS 101 HE2 HIS 101 14.349 -3.829 18.084 814 H HIS 102 H HIS 102 7.143 -3.990 17.240 815 HA HIS 102 HA HIS 102 5.300 -3.067 19.217 816 HB2 HIS 102 1HB HIS 102 4.937 -3.675 16.279 817 HB3 HIS 102 2HB HIS 102 3.725 -2.894 17.296 818 HD1 HIS 102 HD1 HIS 102 4.176 -0.470 18.065 819 HD2 HIS 102 HD2 HIS 102 7.241 -2.055 15.713 820 HE1 HIS 102 HE1 HIS 102 5.668 1.476 17.419 821 HE2 HIS 102 HE2 HIS 102 7.550 0.522 16.004 822 H HIS 103 H HIS 103 3.631 -4.055 20.177 823 HA HIS 103 HA HIS 103 2.543 -5.862 21.127 824 HB2 HIS 103 1HB HIS 103 1.142 -5.163 19.177 825 HB3 HIS 103 2HB HIS 103 1.937 -6.408 18.212 826 HD1 HIS 103 HD1 HIS 103 -0.066 -6.113 21.439 827 HD2 HIS 103 HD2 HIS 103 0.785 -8.923 18.479 828 HE1 HIS 103 HE1 HIS 103 -1.516 -8.133 21.930 829 HE2 HIS 103 HE2 HIS 103 -1.022 -9.848 20.121 830 H HIS 104 H HIS 104 4.245 -7.122 21.949 831 HA HIS 104 HA HIS 104 5.858 -8.880 20.463 832 HB2 HIS 104 1HB HIS 104 4.934 -9.045 23.343 833 HB3 HIS 104 2HB HIS 104 6.218 -10.031 22.648 834 HD1 HIS 104 HD1 HIS 104 8.319 -8.635 21.649 835 HD2 HIS 104 HD2 HIS 104 5.756 -6.514 24.162 836 HE1 HIS 104 HE1 HIS 104 9.595 -6.589 22.416 837 HE2 HIS 104 HE2 HIS 104 8.047 -5.287 23.952 838 H HIS 105 H HIS 105 5.169 -10.465 19.207 839 HA HIS 105 HA HIS 105 3.616 -11.952 18.270 840 HB2 HIS 105 1HB HIS 105 4.622 -13.151 20.851 841 HB3 HIS 105 2HB HIS 105 3.713 -14.081 19.659 842 HD1 HIS 105 HD1 HIS 105 6.931 -12.125 20.037 843 HD2 HIS 105 HD2 HIS 105 5.198 -14.855 17.399 844 HE1 HIS 105 HE1 HIS 105 8.732 -12.751 18.368 845 HE2 HIS 105 HE2 HIS 105 7.688 -14.410 16.749 846 H HIS 106 H HIS 106 2.786 -13.031 21.476 847 HA HIS 106 HA HIS 106 -0.019 -12.149 21.033 848 HB2 HIS 106 1HB HIS 106 1.026 -14.575 22.517 849 HB3 HIS 106 2HB HIS 106 -0.668 -14.099 22.393 850 HD1 HIS 106 HD1 HIS 106 2.088 -15.707 20.482 851 HD2 HIS 106 HD2 HIS 106 -1.776 -14.333 19.726 852 HE1 HIS 106 HE1 HIS 106 1.418 -16.646 18.226 853 HE2 HIS 106 HE2 HIS 106 -0.932 -15.816 17.752 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.043 12.300 3.371 2 H2 MET 1 2H MET 1 9.593 13.905 3.055 3 H3 MET 1 3H MET 1 11.033 13.577 3.894 4 HA MET 1 HA MET 1 10.495 13.586 1.061 5 HB2 MET 1 1HB MET 1 12.943 13.813 2.820 6 HB3 MET 1 2HB MET 1 13.007 13.898 1.062 7 HG2 MET 1 1HG MET 1 11.372 15.797 1.146 8 HG3 MET 1 2HG MET 1 11.466 15.750 2.906 9 HE1 MET 1 3HE MET 1 12.832 17.270 -0.255 10 HE2 MET 1 1HE MET 1 13.599 15.677 -0.281 11 HE3 MET 1 2HE MET 1 14.584 17.126 -0.128 12 H LYS 2 H LYS 2 11.355 12.154 -0.441 13 HA LYS 2 HA LYS 2 11.741 10.043 -1.282 14 HB2 LYS 2 1HB LYS 2 13.633 9.874 1.070 15 HB3 LYS 2 2HB LYS 2 13.772 9.012 -0.466 16 HG2 LYS 2 1HG LYS 2 13.834 11.297 -1.594 17 HG3 LYS 2 2HG LYS 2 14.027 11.984 0.017 18 HD2 LYS 2 1HD LYS 2 15.871 9.914 -1.220 19 HD3 LYS 2 2HD LYS 2 16.206 11.643 -1.124 20 HE2 LYS 2 1HE LYS 2 17.311 10.871 0.780 21 HE3 LYS 2 2HE LYS 2 15.737 11.291 1.454 22 HZ1 LYS 2 3HZ LYS 2 15.143 9.115 1.666 23 HZ2 LYS 2 1HZ LYS 2 16.820 8.957 1.876 24 HZ3 LYS 2 2HZ LYS 2 16.114 8.595 0.374 25 HA PRO 3 HA PRO 3 9.248 8.015 2.107 26 HB2 PRO 3 1HB PRO 3 6.763 8.133 0.989 27 HB3 PRO 3 2HB PRO 3 7.455 9.467 1.934 28 HG2 PRO 3 1HG PRO 3 7.168 9.195 -1.012 29 HG3 PRO 3 2HG PRO 3 7.070 10.640 -0.001 30 HD2 PRO 3 1HD PRO 3 9.305 9.852 -1.522 31 HD3 PRO 3 2HD PRO 3 9.313 11.044 -0.204 32 H LEU 4 H LEU 4 8.386 7.566 -1.357 33 HA LEU 4 HA LEU 4 8.195 4.668 -0.899 34 HB2 LEU 4 1HB LEU 4 7.265 6.503 -3.079 35 HB3 LEU 4 2HB LEU 4 7.393 4.772 -3.376 36 HG LEU 4 HG LEU 4 5.109 5.492 -2.632 37 HD11 LEU 4 1HD1 LEU 4 5.952 3.850 -0.319 38 HD12 LEU 4 2HD1 LEU 4 6.491 3.227 -1.878 39 HD13 LEU 4 3HD1 LEU 4 4.776 3.505 -1.587 40 HD21 LEU 4 3HD2 LEU 4 6.065 7.270 -1.077 41 HD22 LEU 4 1HD2 LEU 4 6.374 5.979 0.070 42 HD23 LEU 4 2HD2 LEU 4 4.724 6.336 -0.438 43 H SER 5 H SER 5 10.609 6.728 -1.656 44 HA SER 5 HA SER 5 11.773 5.329 -3.881 45 HB2 SER 5 1HB SER 5 13.150 7.213 -1.971 46 HB3 SER 5 2HB SER 5 13.604 6.842 -3.632 47 HG SER 5 HG SER 5 12.488 8.804 -3.534 48 H ASN 6 H ASN 6 12.963 3.583 -3.813 49 HA ASN 6 HA ASN 6 14.692 2.163 -3.107 50 HB2 ASN 6 1HB ASN 6 14.192 2.992 -0.246 51 HB3 ASN 6 2HB ASN 6 15.582 2.152 -0.912 52 HD21 ASN 6 2HD2 ASN 6 16.545 3.561 -2.934 53 HD22 ASN 6 1HD2 ASN 6 16.825 5.187 -2.541 54 H MET 7 H MET 7 11.657 2.053 -3.118 55 HA MET 7 HA MET 7 11.521 -0.676 -2.078 56 HB2 MET 7 1HB MET 7 9.431 -0.196 -0.852 57 HB3 MET 7 2HB MET 7 10.815 0.621 -0.147 58 HG2 MET 7 1HG MET 7 10.213 2.687 -1.251 59 HG3 MET 7 2HG MET 7 8.880 1.899 -2.098 60 HE1 MET 7 3HE MET 7 7.186 0.682 -1.156 61 HE2 MET 7 1HE MET 7 6.094 1.604 -0.128 62 HE3 MET 7 2HE MET 7 7.053 0.310 0.554 63 H LYS 8 H LYS 8 9.765 -1.881 -2.944 64 HA LYS 8 HA LYS 8 8.674 -0.727 -5.434 65 HB2 LYS 8 1HB LYS 8 9.065 -3.581 -4.514 66 HB3 LYS 8 2HB LYS 8 8.066 -3.168 -5.903 67 HG2 LYS 8 1HG LYS 8 10.129 -3.569 -6.920 68 HG3 LYS 8 2HG LYS 8 10.189 -1.826 -6.698 69 HD2 LYS 8 1HD LYS 8 11.490 -2.076 -4.664 70 HD3 LYS 8 2HD LYS 8 11.348 -3.830 -4.750 71 HE2 LYS 8 1HE LYS 8 12.570 -3.836 -6.886 72 HE3 LYS 8 2HE LYS 8 12.716 -2.078 -6.816 73 HZ1 LYS 8 3HZ LYS 8 14.719 -3.047 -5.972 74 HZ2 LYS 8 1HZ LYS 8 13.853 -4.048 -4.908 75 HZ3 LYS 8 2HZ LYS 8 13.876 -2.368 -4.663 76 H ILE 9 H ILE 9 6.508 -1.265 -6.018 77 HA ILE 9 HA ILE 9 4.681 -1.526 -3.686 78 HB ILE 9 HB ILE 9 4.549 0.399 -5.984 79 HG12 ILE 9 1HG1 ILE 9 4.478 0.975 -3.029 80 HG13 ILE 9 2HG1 ILE 9 5.987 0.922 -3.940 81 HG21 ILE 9 1HG2 ILE 9 2.295 -0.231 -5.722 82 HG22 ILE 9 2HG2 ILE 9 2.424 1.169 -4.658 83 HG23 ILE 9 3HG2 ILE 9 2.467 -0.458 -3.979 84 HD11 ILE 9 3HD1 ILE 9 5.019 2.631 -5.505 85 HD12 ILE 9 1HD1 ILE 9 5.217 3.223 -3.862 86 HD13 ILE 9 2HD1 ILE 9 3.623 2.749 -4.439 87 H LEU 10 H LEU 10 2.648 -2.447 -4.093 88 HA LEU 10 HA LEU 10 2.243 -3.677 -6.752 89 HB2 LEU 10 1HB LEU 10 3.278 -5.276 -5.086 90 HB3 LEU 10 2HB LEU 10 1.786 -5.176 -4.172 91 HG LEU 10 HG LEU 10 1.509 -5.794 -7.097 92 HD11 LEU 10 1HD1 LEU 10 2.002 -8.193 -6.678 93 HD12 LEU 10 2HD1 LEU 10 2.559 -7.764 -5.061 94 HD13 LEU 10 3HD1 LEU 10 3.428 -7.173 -6.468 95 HD21 LEU 10 3HD2 LEU 10 -0.373 -5.672 -5.287 96 HD22 LEU 10 1HD2 LEU 10 0.253 -7.226 -4.742 97 HD23 LEU 10 2HD2 LEU 10 -0.369 -7.049 -6.381 98 H THR 11 H THR 11 0.188 -3.682 -7.440 99 HA THR 11 HA THR 11 -1.873 -2.560 -5.629 100 HB THR 11 HB THR 11 -3.112 -2.056 -7.719 101 HG1 THR 11 HG1 THR 11 -2.208 -3.634 -9.042 102 HG21 THR 11 3HG2 THR 11 -1.566 -0.250 -8.495 103 HG22 THR 11 1HG2 THR 11 -0.280 -0.997 -7.540 104 HG23 THR 11 2HG2 THR 11 -1.707 -0.339 -6.740 105 H LEU 12 H LEU 12 -3.142 -4.069 -4.750 106 HA LEU 12 HA LEU 12 -3.301 -6.724 -5.884 107 HB2 LEU 12 1HB LEU 12 -3.162 -6.285 -3.431 108 HB3 LEU 12 2HB LEU 12 -4.756 -5.542 -3.507 109 HG LEU 12 HG LEU 12 -5.686 -7.680 -4.377 110 HD11 LEU 12 1HD1 LEU 12 -3.912 -9.665 -3.788 111 HD12 LEU 12 2HD1 LEU 12 -2.793 -8.419 -4.336 112 HD13 LEU 12 3HD1 LEU 12 -4.087 -8.974 -5.397 113 HD21 LEU 12 3HD2 LEU 12 -5.912 -7.336 -2.031 114 HD22 LEU 12 1HD2 LEU 12 -4.202 -7.669 -1.740 115 HD23 LEU 12 2HD2 LEU 12 -5.291 -8.977 -2.196 116 H GLY 13 H GLY 13 -5.990 -4.793 -4.599 117 HA2 GLY 13 1HA GLY 13 -7.698 -5.805 -6.766 118 HA3 GLY 13 2HA GLY 13 -8.245 -5.082 -5.263 119 H LYS 14 H LYS 14 -9.648 -3.756 -6.428 120 HA LYS 14 HA LYS 14 -9.008 -2.028 -8.519 121 HB2 LYS 14 1HB LYS 14 -11.306 -2.527 -7.757 122 HB3 LYS 14 2HB LYS 14 -11.023 -1.542 -6.320 123 HG2 LYS 14 1HG LYS 14 -10.599 0.427 -7.712 124 HG3 LYS 14 2HG LYS 14 -10.781 -0.541 -9.173 125 HD2 LYS 14 1HD LYS 14 -13.119 -1.027 -8.562 126 HD3 LYS 14 2HD LYS 14 -12.936 -0.051 -7.100 127 HE2 LYS 14 1HE LYS 14 -13.979 1.257 -8.925 128 HE3 LYS 14 2HE LYS 14 -12.413 1.925 -8.473 129 HZ1 LYS 14 3HZ LYS 14 -12.830 1.644 -10.926 130 HZ2 LYS 14 1HZ LYS 14 -12.747 -0.032 -10.670 131 HZ3 LYS 14 2HZ LYS 14 -11.400 0.946 -10.336 132 H LEU 15 H LEU 15 -8.438 0.120 -8.635 133 HA LEU 15 HA LEU 15 -6.939 1.160 -6.303 134 HB2 LEU 15 1HB LEU 15 -5.653 0.701 -8.372 135 HB3 LEU 15 2HB LEU 15 -6.671 1.847 -9.239 136 HG LEU 15 HG LEU 15 -5.934 3.642 -7.683 137 HD11 LEU 15 1HD1 LEU 15 -3.748 3.007 -6.385 138 HD12 LEU 15 2HD1 LEU 15 -4.379 1.361 -6.478 139 HD13 LEU 15 3HD1 LEU 15 -5.310 2.620 -5.668 140 HD21 LEU 15 3HD2 LEU 15 -3.469 3.567 -8.482 141 HD22 LEU 15 1HD2 LEU 15 -4.731 3.564 -9.709 142 HD23 LEU 15 2HD2 LEU 15 -3.915 2.064 -9.275 143 H SER 16 H SER 16 -7.627 2.923 -5.308 144 HA SER 16 HA SER 16 -10.060 4.198 -5.947 145 HB2 SER 16 1HB SER 16 -7.802 5.230 -4.211 146 HB3 SER 16 2HB SER 16 -9.468 5.798 -4.189 147 HG SER 16 HG SER 16 -9.815 3.331 -3.872 148 H GLN 17 H GLN 17 -6.691 5.138 -6.450 149 HA GLN 17 HA GLN 17 -7.198 7.683 -7.615 150 HB2 GLN 17 1HB GLN 17 -4.878 5.801 -7.413 151 HB3 GLN 17 2HB GLN 17 -4.755 7.164 -8.525 152 HG2 GLN 17 1HG GLN 17 -4.730 8.734 -6.825 153 HG3 GLN 17 2HG GLN 17 -5.745 7.766 -5.759 154 HE21 GLN 17 2HE2 GLN 17 -4.571 7.233 -3.936 155 HE22 GLN 17 1HE2 GLN 17 -2.945 6.755 -3.916 156 H ASN 18 H ASN 18 -6.429 8.151 -9.925 157 HA ASN 18 HA ASN 18 -7.991 6.505 -11.712 158 HB2 ASN 18 1HB ASN 18 -6.153 8.832 -12.353 159 HB3 ASN 18 2HB ASN 18 -7.350 8.107 -13.424 160 HD21 ASN 18 2HD2 ASN 18 -6.882 10.644 -11.270 161 HD22 ASN 18 1HD2 ASN 18 -8.509 10.988 -10.932 162 H LYS 19 H LYS 19 -6.064 7.001 -13.958 163 HA LYS 19 HA LYS 19 -4.332 4.654 -13.438 164 HB2 LYS 19 1HB LYS 19 -6.162 4.936 -15.372 165 HB3 LYS 19 2HB LYS 19 -4.849 5.752 -16.192 166 HG2 LYS 19 1HG LYS 19 -4.532 2.994 -14.977 167 HG3 LYS 19 2HG LYS 19 -5.106 3.233 -16.619 168 HD2 LYS 19 1HD LYS 19 -2.475 4.292 -15.569 169 HD3 LYS 19 2HD LYS 19 -2.652 2.809 -16.493 170 HE2 LYS 19 1HE LYS 19 -3.878 4.418 -18.221 171 HE3 LYS 19 2HE LYS 19 -2.919 5.652 -17.407 172 HZ1 LYS 19 3HZ LYS 19 -1.004 4.838 -18.203 173 HZ2 LYS 19 1HZ LYS 19 -2.003 4.219 -19.424 174 HZ3 LYS 19 2HZ LYS 19 -1.518 3.219 -18.140 175 H ASP 20 H ASP 20 -4.260 7.665 -15.342 176 HA ASP 20 HA ASP 20 -1.435 7.676 -15.581 177 HB2 ASP 20 1HB ASP 20 -3.674 9.584 -16.164 178 HB3 ASP 20 2HB ASP 20 -2.026 10.194 -16.186 179 H GLU 21 H GLU 21 -3.689 9.169 -13.336 180 HA GLU 21 HA GLU 21 -1.783 10.907 -12.136 181 HB2 GLU 21 1HB GLU 21 -4.454 9.911 -11.139 182 HB3 GLU 21 2HB GLU 21 -3.479 11.125 -10.308 183 HG2 GLU 21 1HG GLU 21 -3.516 12.543 -12.327 184 HG3 GLU 21 2HG GLU 21 -4.497 11.336 -13.156 185 H ALA 22 H ALA 22 -3.036 7.708 -11.125 186 HA ALA 22 HA ALA 22 -1.601 7.620 -8.695 187 HB1 ALA 22 3HB ALA 22 -3.211 5.819 -10.284 188 HB2 ALA 22 1HB ALA 22 -2.854 5.751 -8.559 189 HB3 ALA 22 2HB ALA 22 -1.782 4.959 -9.712 190 H LYS 23 H LYS 23 -0.779 6.477 -11.958 191 HA LYS 23 HA LYS 23 1.758 5.413 -11.332 192 HB2 LYS 23 1HB LYS 23 0.599 6.537 -13.877 193 HB3 LYS 23 2HB LYS 23 2.181 5.761 -13.796 194 HG2 LYS 23 1HG LYS 23 1.143 3.709 -12.928 195 HG3 LYS 23 2HG LYS 23 -0.441 4.488 -12.977 196 HD2 LYS 23 1HD LYS 23 -0.255 4.790 -15.385 197 HD3 LYS 23 2HD LYS 23 1.360 4.078 -15.376 198 HE2 LYS 23 1HE LYS 23 0.420 1.961 -14.499 199 HE3 LYS 23 2HE LYS 23 -1.198 2.656 -14.563 200 HZ1 LYS 23 3HZ LYS 23 -0.587 3.107 -17.019 201 HZ2 LYS 23 1HZ LYS 23 -1.046 1.539 -16.557 202 HZ3 LYS 23 2HZ LYS 23 0.598 1.916 -16.773 203 H ALA 24 H ALA 24 0.755 8.638 -12.438 204 HA ALA 24 HA ALA 24 3.347 9.704 -12.720 205 HB1 ALA 24 3HB ALA 24 1.208 10.730 -13.579 206 HB2 ALA 24 1HB ALA 24 2.293 11.857 -12.762 207 HB3 ALA 24 2HB ALA 24 0.867 11.240 -11.926 208 H MET 25 H MET 25 1.081 9.696 -9.975 209 HA MET 25 HA MET 25 2.809 11.193 -8.291 210 HB2 MET 25 1HB MET 25 0.954 11.343 -7.024 211 HB3 MET 25 2HB MET 25 0.135 10.337 -8.207 212 HG2 MET 25 1HG MET 25 0.624 8.335 -6.936 213 HG3 MET 25 2HG MET 25 1.644 9.221 -5.819 214 HE1 MET 25 3HE MET 25 1.096 10.799 -4.253 215 HE2 MET 25 1HE MET 25 -0.483 11.114 -3.534 216 HE3 MET 25 2HE MET 25 -0.005 11.952 -5.000 217 H ILE 26 H ILE 26 2.276 7.696 -8.686 218 HA ILE 26 HA ILE 26 3.880 6.905 -6.507 219 HB ILE 26 HB ILE 26 3.103 5.550 -9.080 220 HG12 ILE 26 1HG1 ILE 26 2.249 4.913 -6.244 221 HG13 ILE 26 2HG1 ILE 26 1.427 6.158 -7.187 222 HG21 ILE 26 1HG2 ILE 26 5.084 4.398 -8.492 223 HG22 ILE 26 2HG2 ILE 26 3.806 3.440 -7.743 224 HG23 ILE 26 3HG2 ILE 26 4.761 4.549 -6.765 225 HD11 ILE 26 3HD1 ILE 26 0.899 4.566 -8.926 226 HD12 ILE 26 1HD1 ILE 26 0.355 3.906 -7.381 227 HD13 ILE 26 2HD1 ILE 26 1.845 3.313 -8.119 228 H GLU 27 H GLU 27 4.738 7.413 -9.935 229 HA GLU 27 HA GLU 27 7.441 6.603 -9.546 230 HB2 GLU 27 1HB GLU 27 6.100 8.112 -11.785 231 HB3 GLU 27 2HB GLU 27 7.806 7.646 -11.805 232 HG2 GLU 27 1HG GLU 27 7.193 5.289 -11.495 233 HG3 GLU 27 2HG GLU 27 5.490 5.728 -11.416 234 H LYS 28 H LYS 28 5.818 9.724 -9.353 235 HA LYS 28 HA LYS 28 8.092 11.366 -9.456 236 HB2 LYS 28 1HB LYS 28 5.614 12.034 -9.508 237 HB3 LYS 28 2HB LYS 28 5.690 11.969 -7.748 238 HG2 LYS 28 1HG LYS 28 7.425 13.652 -7.693 239 HG3 LYS 28 2HG LYS 28 7.593 13.615 -9.446 240 HD2 LYS 28 1HD LYS 28 6.274 15.543 -8.951 241 HD3 LYS 28 2HD LYS 28 5.155 14.334 -9.575 242 HE2 LYS 28 1HE LYS 28 4.358 13.811 -7.368 243 HE3 LYS 28 2HE LYS 28 5.652 14.745 -6.614 244 HZ1 LYS 28 3HZ LYS 28 4.505 16.611 -6.854 245 HZ2 LYS 28 1HZ LYS 28 3.159 15.663 -7.259 246 HZ3 LYS 28 2HZ LYS 28 4.154 16.290 -8.485 247 H LEU 29 H LEU 29 6.563 9.777 -6.639 248 HA LEU 29 HA LEU 29 8.288 10.930 -4.689 249 HB2 LEU 29 1HB LEU 29 7.090 8.150 -4.620 250 HB3 LEU 29 2HB LEU 29 7.581 9.139 -3.251 251 HG LEU 29 HG LEU 29 5.381 9.768 -5.187 252 HD11 LEU 29 1HD1 LEU 29 4.948 7.885 -3.563 253 HD12 LEU 29 2HD1 LEU 29 3.837 9.247 -3.427 254 HD13 LEU 29 3HD1 LEU 29 5.144 9.061 -2.262 255 HD21 LEU 29 3HD2 LEU 29 6.089 11.868 -4.484 256 HD22 LEU 29 1HD2 LEU 29 6.617 11.274 -2.912 257 HD23 LEU 29 2HD2 LEU 29 4.896 11.485 -3.246 258 H GLY 30 H GLY 30 8.355 8.057 -6.627 259 HA2 GLY 30 1HA GLY 30 10.702 7.495 -7.463 260 HA3 GLY 30 2HA GLY 30 11.079 7.349 -5.743 261 H GLY 31 H GLY 31 7.971 6.597 -5.782 262 HA2 GLY 31 1HA GLY 31 8.316 3.839 -5.326 263 HA3 GLY 31 2HA GLY 31 6.782 4.643 -5.632 264 H LYS 32 H LYS 32 7.792 2.024 -6.561 265 HA LYS 32 HA LYS 32 7.435 2.393 -9.478 266 HB2 LYS 32 1HB LYS 32 9.376 0.538 -8.076 267 HB3 LYS 32 2HB LYS 32 8.983 0.473 -9.795 268 HG2 LYS 32 1HG LYS 32 9.825 2.728 -10.131 269 HG3 LYS 32 2HG LYS 32 10.083 2.926 -8.401 270 HD2 LYS 32 1HD LYS 32 12.217 2.410 -9.407 271 HD3 LYS 32 2HD LYS 32 11.700 0.995 -8.494 272 HE2 LYS 32 1HE LYS 32 11.074 -0.177 -10.471 273 HE3 LYS 32 2HE LYS 32 11.125 1.289 -11.450 274 HZ1 LYS 32 3HZ LYS 32 13.077 -0.139 -11.765 275 HZ2 LYS 32 1HZ LYS 32 13.472 0.042 -10.126 276 HZ3 LYS 32 2HZ LYS 32 13.493 1.394 -11.159 277 H LEU 33 H LEU 33 6.345 0.670 -10.535 278 HA LEU 33 HA LEU 33 4.718 -1.028 -8.725 279 HB2 LEU 33 1HB LEU 33 4.283 -0.189 -11.604 280 HB3 LEU 33 2HB LEU 33 3.212 -1.253 -10.697 281 HG LEU 33 HG LEU 33 3.936 1.563 -9.838 282 HD11 LEU 33 1HD1 LEU 33 1.808 2.276 -10.702 283 HD12 LEU 33 2HD1 LEU 33 1.329 0.614 -11.054 284 HD13 LEU 33 3HD1 LEU 33 2.602 1.390 -11.998 285 HD21 LEU 33 3HD2 LEU 33 2.234 -0.635 -8.704 286 HD22 LEU 33 1HD2 LEU 33 1.625 1.012 -8.554 287 HD23 LEU 33 2HD2 LEU 33 3.190 0.587 -7.873 288 H THR 34 H THR 34 5.314 -3.102 -8.565 289 HA THR 34 HA THR 34 5.670 -4.900 -10.662 290 HB THR 34 HB THR 34 7.727 -3.824 -11.307 291 HG1 THR 34 HG1 THR 34 7.719 -6.143 -11.062 292 HG21 THR 34 3HG2 THR 34 8.179 -3.721 -8.336 293 HG22 THR 34 1HG2 THR 34 8.439 -2.467 -9.553 294 HG23 THR 34 2HG2 THR 34 9.571 -3.811 -9.411 295 H GLY 35 H GLY 35 6.891 -6.951 -9.893 296 HA2 GLY 35 1HA GLY 35 7.639 -8.329 -8.078 297 HA3 GLY 35 2HA GLY 35 6.750 -7.304 -6.962 298 H SER 36 H SER 36 6.750 -10.283 -7.567 299 HA SER 36 HA SER 36 4.130 -10.868 -8.610 300 HB2 SER 36 1HB SER 36 4.954 -12.984 -8.671 301 HB3 SER 36 2HB SER 36 6.458 -12.357 -8.005 302 HG SER 36 HG SER 36 5.658 -12.766 -5.946 303 H ALA 37 H ALA 37 5.586 -10.608 -5.397 304 HA ALA 37 HA ALA 37 3.161 -9.804 -4.163 305 HB1 ALA 37 3HB ALA 37 2.656 -12.230 -4.485 306 HB2 ALA 37 1HB ALA 37 2.676 -11.743 -2.788 307 HB3 ALA 37 2HB ALA 37 4.048 -12.614 -3.473 308 H ASN 38 H ASN 38 5.629 -11.956 -2.758 309 HA ASN 38 HA ASN 38 6.173 -10.194 -0.626 310 HB2 ASN 38 1HB ASN 38 6.603 -12.564 -0.419 311 HB3 ASN 38 2HB ASN 38 7.867 -12.465 -1.647 312 HD21 ASN 38 2HD2 ASN 38 6.971 -10.832 1.443 313 HD22 ASN 38 1HD2 ASN 38 8.559 -10.712 2.021 314 H LYS 39 H LYS 39 7.544 -10.479 -3.804 315 HA LYS 39 HA LYS 39 9.984 -9.168 -3.431 316 HB2 LYS 39 1HB LYS 39 8.111 -9.188 -5.796 317 HB3 LYS 39 2HB LYS 39 9.738 -8.500 -5.836 318 HG2 LYS 39 1HG LYS 39 10.695 -10.660 -5.190 319 HG3 LYS 39 2HG LYS 39 9.080 -11.359 -5.070 320 HD2 LYS 39 1HD LYS 39 8.712 -10.844 -7.464 321 HD3 LYS 39 2HD LYS 39 10.363 -10.238 -7.575 322 HE2 LYS 39 1HE LYS 39 9.627 -13.049 -6.707 323 HE3 LYS 39 2HE LYS 39 10.134 -12.615 -8.339 324 HZ1 LYS 39 3HZ LYS 39 11.722 -13.061 -6.035 325 HZ2 LYS 39 1HZ LYS 39 12.009 -11.509 -6.654 326 HZ3 LYS 39 2HZ LYS 39 12.208 -12.870 -7.652 327 H ALA 40 H ALA 40 6.712 -7.932 -3.779 328 HA ALA 40 HA ALA 40 7.460 -5.172 -3.979 329 HB1 ALA 40 3HB ALA 40 5.207 -6.404 -4.545 330 HB2 ALA 40 1HB ALA 40 5.184 -4.733 -3.972 331 HB3 ALA 40 2HB ALA 40 4.819 -6.055 -2.860 332 H SER 41 H SER 41 6.970 -3.526 -2.225 333 HA SER 41 HA SER 41 7.850 -4.663 0.377 334 HB2 SER 41 1HB SER 41 8.404 -2.350 0.950 335 HB3 SER 41 2HB SER 41 9.157 -2.797 -0.582 336 HG SER 41 HG SER 41 6.904 -1.949 -1.334 337 H LEU 42 H LEU 42 5.648 -2.105 -0.753 338 HA LEU 42 HA LEU 42 3.693 -2.930 1.322 339 HB2 LEU 42 1HB LEU 42 4.358 -0.132 0.396 340 HB3 LEU 42 2HB LEU 42 3.099 -0.561 1.555 341 HG LEU 42 HG LEU 42 6.053 -1.160 1.911 342 HD11 LEU 42 1HD1 LEU 42 5.263 1.289 2.007 343 HD12 LEU 42 2HD1 LEU 42 6.143 0.682 3.406 344 HD13 LEU 42 3HD1 LEU 42 4.388 0.818 3.457 345 HD21 LEU 42 3HD2 LEU 42 5.125 -1.463 4.358 346 HD22 LEU 42 1HD2 LEU 42 4.968 -2.779 3.200 347 HD23 LEU 42 2HD2 LEU 42 3.587 -1.737 3.537 348 H CYS 43 H CYS 43 1.985 -3.726 0.387 349 HA CYS 43 HA CYS 43 1.308 -3.161 -2.374 350 HB2 CYS 43 1HB CYS 43 0.975 -5.418 -1.780 351 HB3 CYS 43 2HB CYS 43 0.194 -4.989 -0.261 352 HG CYS 43 HG CYS 43 -1.976 -4.559 -1.459 353 H ILE 44 H ILE 44 -0.728 -2.368 -3.084 354 HA ILE 44 HA ILE 44 -1.797 -0.298 -1.277 355 HB ILE 44 HB ILE 44 -2.193 -0.665 -4.250 356 HG12 ILE 44 1HG1 ILE 44 0.149 -0.189 -3.785 357 HG13 ILE 44 2HG1 ILE 44 -0.617 1.248 -4.455 358 HG21 ILE 44 1HG2 ILE 44 -2.909 1.552 -2.328 359 HG22 ILE 44 2HG2 ILE 44 -4.007 0.603 -3.336 360 HG23 ILE 44 3HG2 ILE 44 -2.896 1.755 -4.079 361 HD11 ILE 44 3HD1 ILE 44 0.541 2.163 -2.665 362 HD12 ILE 44 1HD1 ILE 44 0.327 0.730 -1.665 363 HD13 ILE 44 2HD1 ILE 44 -1.016 1.848 -1.901 364 H SER 45 H SER 45 -3.507 -0.873 -0.176 365 HA SER 45 HA SER 45 -5.864 -1.847 -1.520 366 HB2 SER 45 1HB SER 45 -4.371 -3.596 0.425 367 HB3 SER 45 2HB SER 45 -6.097 -3.784 0.142 368 HG SER 45 HG SER 45 -5.628 -4.737 -1.662 369 H THR 46 H THR 46 -7.741 -1.836 -0.096 370 HA THR 46 HA THR 46 -7.406 -0.120 2.306 371 HB THR 46 HB THR 46 -9.459 0.989 1.758 372 HG1 THR 46 HG1 THR 46 -9.603 -0.888 -0.363 373 HG21 THR 46 3HG2 THR 46 -8.892 1.987 -0.436 374 HG22 THR 46 1HG2 THR 46 -7.741 0.679 -0.714 375 HG23 THR 46 2HG2 THR 46 -7.474 1.824 0.602 376 H LYS 47 H LYS 47 -9.460 -0.245 3.704 377 HA LYS 47 HA LYS 47 -9.738 -2.825 4.721 378 HB2 LYS 47 1HB LYS 47 -11.064 -0.182 5.047 379 HB3 LYS 47 2HB LYS 47 -12.018 -1.561 5.581 380 HG2 LYS 47 1HG LYS 47 -9.150 -1.277 6.413 381 HG3 LYS 47 2HG LYS 47 -10.404 -0.396 7.270 382 HD2 LYS 47 1HD LYS 47 -11.577 -2.498 7.731 383 HD3 LYS 47 2HD LYS 47 -10.320 -3.395 6.877 384 HE2 LYS 47 1HE LYS 47 -8.644 -2.686 8.461 385 HE3 LYS 47 2HE LYS 47 -9.793 -1.609 9.252 386 HZ1 LYS 47 3HZ LYS 47 -10.462 -4.453 9.009 387 HZ2 LYS 47 1HZ LYS 47 -10.888 -3.349 10.223 388 HZ3 LYS 47 2HZ LYS 47 -9.318 -3.998 10.180 389 H LYS 48 H LYS 48 -11.741 -0.988 2.496 390 HA LYS 48 HA LYS 48 -13.912 -2.693 2.215 391 HB2 LYS 48 1HB LYS 48 -12.520 -0.949 0.175 392 HB3 LYS 48 2HB LYS 48 -14.070 -1.743 -0.115 393 HG2 LYS 48 1HG LYS 48 -15.028 -0.590 1.851 394 HG3 LYS 48 2HG LYS 48 -13.482 0.217 2.118 395 HD2 LYS 48 1HD LYS 48 -13.636 1.298 -0.084 396 HD3 LYS 48 2HD LYS 48 -15.157 0.462 -0.395 397 HE2 LYS 48 1HE LYS 48 -16.205 1.603 1.501 398 HE3 LYS 48 2HE LYS 48 -14.682 2.406 1.887 399 HZ1 LYS 48 3HZ LYS 48 -16.641 3.270 0.131 400 HZ2 LYS 48 1HZ LYS 48 -15.332 2.793 -0.836 401 HZ3 LYS 48 2HZ LYS 48 -15.107 3.953 0.386 402 H GLU 49 H GLU 49 -10.662 -3.369 1.555 403 HA GLU 49 HA GLU 49 -11.358 -5.560 -0.335 404 HB2 GLU 49 1HB GLU 49 -8.708 -4.174 0.153 405 HB3 GLU 49 2HB GLU 49 -8.958 -5.529 -0.942 406 HG2 GLU 49 1HG GLU 49 -10.544 -4.193 -2.260 407 HG3 GLU 49 2HG GLU 49 -10.335 -2.837 -1.148 408 H VAL 50 H VAL 50 -9.414 -4.681 2.495 409 HA VAL 50 HA VAL 50 -8.352 -7.243 3.026 410 HB VAL 50 HB VAL 50 -8.886 -4.984 4.955 411 HG11 VAL 50 1HG1 VAL 50 -7.126 -7.436 5.078 412 HG12 VAL 50 2HG1 VAL 50 -8.434 -6.996 6.175 413 HG13 VAL 50 3HG1 VAL 50 -6.941 -6.061 6.167 414 HG21 VAL 50 3HG2 VAL 50 -7.502 -4.423 2.916 415 HG22 VAL 50 1HG2 VAL 50 -6.351 -5.656 3.426 416 HG23 VAL 50 2HG2 VAL 50 -6.637 -4.242 4.439 417 H GLU 51 H GLU 51 -11.241 -5.604 4.237 418 HA GLU 51 HA GLU 51 -11.987 -7.357 6.245 419 HB2 GLU 51 1HB GLU 51 -13.687 -5.725 4.337 420 HB3 GLU 51 2HB GLU 51 -14.296 -6.491 5.812 421 HG2 GLU 51 1HG GLU 51 -11.963 -4.570 5.785 422 HG3 GLU 51 2HG GLU 51 -13.617 -4.058 6.117 423 H LYS 52 H LYS 52 -12.355 -7.661 2.802 424 HA LYS 52 HA LYS 52 -14.290 -9.708 2.764 425 HB2 LYS 52 1HB LYS 52 -12.113 -9.241 0.725 426 HB3 LYS 52 2HB LYS 52 -13.722 -9.931 0.466 427 HG2 LYS 52 1HG LYS 52 -14.584 -7.679 1.495 428 HG3 LYS 52 2HG LYS 52 -12.966 -7.104 1.121 429 HD2 LYS 52 1HD LYS 52 -13.276 -7.196 -1.172 430 HD3 LYS 52 2HD LYS 52 -14.473 -8.484 -1.071 431 HE2 LYS 52 1HE LYS 52 -15.105 -5.782 0.100 432 HE3 LYS 52 2HE LYS 52 -15.257 -6.045 -1.639 433 HZ1 LYS 52 3HZ LYS 52 -16.787 -7.808 -1.265 434 HZ2 LYS 52 1HZ LYS 52 -17.313 -6.481 -0.350 435 HZ3 LYS 52 2HZ LYS 52 -16.519 -7.777 0.412 436 H MET 53 H MET 53 -10.774 -9.750 2.940 437 HA MET 53 HA MET 53 -9.268 -11.422 3.386 438 HB2 MET 53 1HB MET 53 -11.723 -12.605 4.705 439 HB3 MET 53 2HB MET 53 -10.126 -13.339 4.798 440 HG2 MET 53 1HG MET 53 -10.494 -10.441 5.532 441 HG3 MET 53 2HG MET 53 -10.874 -11.706 6.697 442 HE1 MET 53 3HE MET 53 -7.028 -9.803 6.453 443 HE2 MET 53 1HE MET 53 -8.716 -9.299 6.601 444 HE3 MET 53 2HE MET 53 -8.029 -9.631 5.012 445 H SER 54 H SER 54 -10.056 -11.405 0.849 446 HA SER 54 HA SER 54 -11.026 -14.003 0.004 447 HB2 SER 54 1HB SER 54 -11.010 -13.149 -2.172 448 HB3 SER 54 2HB SER 54 -11.386 -11.735 -1.193 449 HG SER 54 HG SER 54 -9.710 -11.367 -2.734 450 H LYS 55 H LYS 55 -9.694 -14.978 -1.901 451 HA LYS 55 HA LYS 55 -7.406 -16.166 -0.803 452 HB2 LYS 55 1HB LYS 55 -8.396 -15.998 -3.655 453 HB3 LYS 55 2HB LYS 55 -7.039 -17.011 -3.148 454 HG2 LYS 55 1HG LYS 55 -8.498 -18.182 -1.544 455 HG3 LYS 55 2HG LYS 55 -9.849 -17.156 -2.025 456 HD2 LYS 55 1HD LYS 55 -9.733 -18.033 -4.316 457 HD3 LYS 55 2HD LYS 55 -8.343 -19.025 -3.877 458 HE2 LYS 55 1HE LYS 55 -9.833 -20.061 -2.076 459 HE3 LYS 55 2HE LYS 55 -11.187 -19.271 -2.882 460 HZ1 LYS 55 3HZ LYS 55 -10.148 -20.391 -4.971 461 HZ2 LYS 55 1HZ LYS 55 -11.152 -21.285 -3.935 462 HZ3 LYS 55 2HZ LYS 55 -9.464 -21.451 -3.833 463 H LYS 56 H LYS 56 -7.838 -13.448 -2.967 464 HA LYS 56 HA LYS 56 -5.193 -12.982 -3.778 465 HB2 LYS 56 1HB LYS 56 -7.401 -10.990 -3.205 466 HB3 LYS 56 2HB LYS 56 -5.963 -10.664 -4.161 467 HG2 LYS 56 1HG LYS 56 -8.060 -12.739 -4.868 468 HG3 LYS 56 2HG LYS 56 -7.979 -11.124 -5.553 469 HD2 LYS 56 1HD LYS 56 -5.726 -11.634 -6.470 470 HD3 LYS 56 2HD LYS 56 -5.851 -13.271 -5.836 471 HE2 LYS 56 1HE LYS 56 -7.828 -13.704 -7.190 472 HE3 LYS 56 2HE LYS 56 -7.808 -12.044 -7.786 473 HZ1 LYS 56 3HZ LYS 56 -6.746 -13.254 -9.435 474 HZ2 LYS 56 1HZ LYS 56 -5.890 -14.221 -8.333 475 HZ3 LYS 56 2HZ LYS 56 -5.455 -12.593 -8.550 476 H MET 57 H MET 57 -7.000 -11.862 -0.926 477 HA MET 57 HA MET 57 -4.943 -10.222 0.130 478 HB2 MET 57 1HB MET 57 -7.580 -10.837 0.826 479 HB3 MET 57 2HB MET 57 -6.658 -11.509 2.164 480 HG2 MET 57 1HG MET 57 -6.590 -8.661 1.150 481 HG3 MET 57 2HG MET 57 -7.199 -9.222 2.702 482 HE1 MET 57 3HE MET 57 -5.940 -10.445 4.364 483 HE2 MET 57 1HE MET 57 -4.214 -10.273 4.708 484 HE3 MET 57 2HE MET 57 -4.763 -11.446 3.516 485 H GLU 58 H GLU 58 -5.733 -13.618 0.474 486 HA GLU 58 HA GLU 58 -3.951 -14.269 2.531 487 HB2 GLU 58 1HB GLU 58 -5.150 -16.171 2.219 488 HB3 GLU 58 2HB GLU 58 -5.708 -15.586 0.663 489 HG2 GLU 58 1HG GLU 58 -3.802 -16.526 -0.465 490 HG3 GLU 58 2HG GLU 58 -3.058 -16.958 1.072 491 H GLU 59 H GLU 59 -3.491 -14.004 -0.973 492 HA GLU 59 HA GLU 59 -0.917 -15.143 -1.134 493 HB2 GLU 59 1HB GLU 59 -2.016 -12.850 -2.781 494 HB3 GLU 59 2HB GLU 59 -0.704 -13.923 -3.236 495 HG2 GLU 59 1HG GLU 59 -3.306 -15.213 -2.493 496 HG3 GLU 59 2HG GLU 59 -3.257 -14.353 -4.017 497 H VAL 60 H VAL 60 -1.938 -11.780 -0.610 498 HA VAL 60 HA VAL 60 0.676 -10.663 -0.432 499 HB VAL 60 HB VAL 60 -1.939 -9.737 0.806 500 HG11 VAL 60 1HG1 VAL 60 -0.962 -7.567 1.015 501 HG12 VAL 60 2HG1 VAL 60 0.459 -8.040 0.090 502 HG13 VAL 60 3HG1 VAL 60 0.211 -8.678 1.713 503 HG21 VAL 60 3HG2 VAL 60 -2.321 -9.838 -1.523 504 HG22 VAL 60 1HG2 VAL 60 -0.677 -9.328 -1.906 505 HG23 VAL 60 2HG2 VAL 60 -1.833 -8.167 -1.253 506 H LYS 61 H LYS 61 -1.624 -11.858 1.960 507 HA LYS 61 HA LYS 61 -0.161 -11.285 4.288 508 HB2 LYS 61 1HB LYS 61 -2.545 -11.819 4.237 509 HB3 LYS 61 2HB LYS 61 -2.175 -13.464 3.742 510 HG2 LYS 61 1HG LYS 61 -0.980 -13.849 5.848 511 HG3 LYS 61 2HG LYS 61 -1.280 -12.179 6.330 512 HD2 LYS 61 1HD LYS 61 -3.704 -12.576 6.263 513 HD3 LYS 61 2HD LYS 61 -3.432 -14.240 5.743 514 HE2 LYS 61 1HE LYS 61 -3.865 -14.155 8.153 515 HE3 LYS 61 2HE LYS 61 -2.206 -14.679 7.848 516 HZ1 LYS 61 3HZ LYS 61 -1.875 -12.050 7.975 517 HZ2 LYS 61 1HZ LYS 61 -1.747 -13.057 9.332 518 HZ3 LYS 61 2HZ LYS 61 -3.191 -12.214 9.033 519 H ALA 62 H ALA 62 -0.289 -14.233 2.314 520 HA ALA 62 HA ALA 62 1.551 -15.697 3.953 521 HB1 ALA 62 3HB ALA 62 -0.032 -16.928 2.609 522 HB2 ALA 62 1HB ALA 62 1.583 -17.264 1.989 523 HB3 ALA 62 2HB ALA 62 0.531 -16.132 1.139 524 H ALA 63 H ALA 63 1.852 -13.203 1.728 525 HA ALA 63 HA ALA 63 4.539 -13.942 0.817 526 HB1 ALA 63 3HB ALA 63 4.362 -11.925 -0.584 527 HB2 ALA 63 1HB ALA 63 2.799 -11.562 0.141 528 HB3 ALA 63 2HB ALA 63 3.001 -13.014 -0.839 529 H ASN 64 H ASN 64 3.251 -12.587 3.521 530 HA ASN 64 HA ASN 64 4.073 -11.225 5.172 531 HB2 ASN 64 1HB ASN 64 6.558 -12.205 3.786 532 HB3 ASN 64 2HB ASN 64 6.693 -11.042 5.088 533 HD21 ASN 64 2HD2 ASN 64 4.356 -12.185 6.592 534 HD22 ASN 64 1HD2 ASN 64 4.910 -13.653 7.235 535 H VAL 65 H VAL 65 2.895 -9.731 3.327 536 HA VAL 65 HA VAL 65 4.755 -7.454 2.857 537 HB VAL 65 HB VAL 65 2.463 -8.499 1.201 538 HG11 VAL 65 1HG1 VAL 65 3.221 -6.590 -0.367 539 HG12 VAL 65 2HG1 VAL 65 3.985 -5.896 1.062 540 HG13 VAL 65 3HG1 VAL 65 2.242 -6.146 1.031 541 HG21 VAL 65 3HG2 VAL 65 4.180 -8.804 -0.485 542 HG22 VAL 65 1HG2 VAL 65 4.638 -9.641 0.996 543 HG23 VAL 65 2HG2 VAL 65 5.393 -8.102 0.583 544 H ARG 66 H ARG 66 4.227 -5.838 4.223 545 HA ARG 66 HA ARG 66 1.728 -5.669 5.548 546 HB2 ARG 66 1HB ARG 66 3.702 -4.589 6.505 547 HB3 ARG 66 2HB ARG 66 3.808 -3.505 5.124 548 HG2 ARG 66 1HG ARG 66 1.705 -2.455 5.696 549 HG3 ARG 66 2HG ARG 66 1.383 -3.664 6.939 550 HD2 ARG 66 1HD ARG 66 2.214 -1.626 8.003 551 HD3 ARG 66 2HD ARG 66 3.396 -2.915 8.172 552 HE ARG 66 HE ARG 66 4.828 -1.763 6.705 553 HH11 ARG 66 1HH2 ARG 66 1.702 -0.278 6.938 554 HH12 ARG 66 2HH2 ARG 66 2.216 1.209 6.214 555 HH21 ARG 66 1HH1 ARG 66 5.481 0.185 5.727 556 HH22 ARG 66 2HH1 ARG 66 4.331 1.462 5.521 557 H VAL 67 H VAL 67 0.106 -3.968 5.254 558 HA VAL 67 HA VAL 67 -0.277 -3.294 2.392 559 HB VAL 67 HB VAL 67 -2.228 -4.068 4.568 560 HG11 VAL 67 1HG1 VAL 67 -3.332 -2.285 3.456 561 HG12 VAL 67 2HG1 VAL 67 -3.947 -3.754 2.708 562 HG13 VAL 67 3HG1 VAL 67 -2.724 -2.789 1.879 563 HG21 VAL 67 3HG2 VAL 67 -1.042 -5.863 3.310 564 HG22 VAL 67 1HG2 VAL 67 -1.668 -5.192 1.808 565 HG23 VAL 67 2HG2 VAL 67 -2.779 -5.870 2.999 566 H VAL 68 H VAL 68 -0.662 -1.222 1.842 567 HA VAL 68 HA VAL 68 -1.264 0.735 3.989 568 HB VAL 68 HB VAL 68 0.118 2.385 2.744 569 HG11 VAL 68 1HG1 VAL 68 1.745 -0.061 3.451 570 HG12 VAL 68 2HG1 VAL 68 0.983 0.965 4.668 571 HG13 VAL 68 3HG1 VAL 68 2.208 1.635 3.597 572 HG21 VAL 68 3HG2 VAL 68 0.104 1.423 0.539 573 HG22 VAL 68 1HG2 VAL 68 0.834 -0.070 1.124 574 HG23 VAL 68 2HG2 VAL 68 1.772 1.421 1.097 575 H CYS 69 H CYS 69 -2.954 2.035 3.560 576 HA CYS 69 HA CYS 69 -4.444 1.602 1.116 577 HB2 CYS 69 1HB CYS 69 -5.995 1.839 2.773 578 HB3 CYS 69 2HB CYS 69 -4.950 2.845 3.770 579 HG CYS 69 HG CYS 69 -6.930 4.326 2.826 580 H GLU 70 H GLU 70 -5.056 3.162 -0.367 581 HA GLU 70 HA GLU 70 -3.102 4.657 -1.546 582 HB2 GLU 70 1HB GLU 70 -6.078 5.220 -1.554 583 HB3 GLU 70 2HB GLU 70 -4.922 5.934 -2.669 584 HG2 GLU 70 1HG GLU 70 -5.689 4.116 -3.912 585 HG3 GLU 70 2HG GLU 70 -4.243 3.442 -3.169 586 H ASP 71 H ASP 71 -5.037 5.606 1.182 587 HA ASP 71 HA ASP 71 -4.640 8.403 1.015 588 HB2 ASP 71 1HB ASP 71 -5.174 6.540 3.327 589 HB3 ASP 71 2HB ASP 71 -5.059 8.290 3.521 590 H PHE 72 H PHE 72 -2.580 5.811 1.787 591 HA PHE 72 HA PHE 72 -0.729 7.037 3.524 592 HB2 PHE 72 1HB PHE 72 -0.925 4.566 2.931 593 HB3 PHE 72 2HB PHE 72 -0.056 4.945 1.447 594 HD1 PHE 72 HD2 PHE 72 2.249 6.207 1.692 595 HD2 PHE 72 HD1 PHE 72 0.234 4.192 4.919 596 HE1 PHE 72 HE2 PHE 72 4.375 6.077 2.973 597 HE2 PHE 72 HE1 PHE 72 2.348 4.104 6.193 598 HZ PHE 72 HZ PHE 72 4.419 5.041 5.220 599 H LEU 73 H LEU 73 -0.868 6.782 -0.013 600 HA LEU 73 HA LEU 73 1.608 7.971 -0.622 601 HB2 LEU 73 1HB LEU 73 -1.011 7.913 -2.133 602 HB3 LEU 73 2HB LEU 73 0.512 8.450 -2.839 603 HG LEU 73 HG LEU 73 0.058 5.726 -1.611 604 HD11 LEU 73 1HD1 LEU 73 -0.138 6.718 -4.452 605 HD12 LEU 73 2HD1 LEU 73 -1.275 5.712 -3.557 606 HD13 LEU 73 3HD1 LEU 73 0.258 5.034 -4.104 607 HD21 LEU 73 3HD2 LEU 73 2.402 7.089 -2.915 608 HD22 LEU 73 1HD2 LEU 73 2.204 5.352 -3.157 609 HD23 LEU 73 2HD2 LEU 73 2.372 5.998 -1.529 610 H GLN 74 H GLN 74 -1.615 9.316 -0.234 611 HA GLN 74 HA GLN 74 -0.870 11.985 -0.858 612 HB2 GLN 74 1HB GLN 74 -3.307 10.841 0.520 613 HB3 GLN 74 2HB GLN 74 -3.152 12.507 -0.040 614 HG2 GLN 74 1HG GLN 74 -3.870 11.821 -2.101 615 HG3 GLN 74 2HG GLN 74 -2.378 10.910 -2.266 616 HE21 GLN 74 2HE2 GLN 74 -2.832 8.854 -2.938 617 HE22 GLN 74 1HE2 GLN 74 -4.145 7.913 -2.409 618 H ASP 75 H ASP 75 -1.129 10.126 2.098 619 HA ASP 75 HA ASP 75 -1.034 12.220 3.971 620 HB2 ASP 75 1HB ASP 75 -0.128 9.354 4.078 621 HB3 ASP 75 2HB ASP 75 -0.053 10.421 5.477 622 H VAL 76 H VAL 76 1.626 10.289 2.558 623 HA VAL 76 HA VAL 76 3.675 11.683 3.964 624 HB VAL 76 HB VAL 76 5.211 10.682 2.242 625 HG11 VAL 76 1HG1 VAL 76 3.200 8.870 3.598 626 HG12 VAL 76 2HG1 VAL 76 4.715 9.458 4.283 627 HG13 VAL 76 3HG1 VAL 76 4.740 8.335 2.930 628 HG21 VAL 76 3HG2 VAL 76 4.117 8.959 0.743 629 HG22 VAL 76 1HG2 VAL 76 3.759 10.633 0.314 630 HG23 VAL 76 2HG2 VAL 76 2.569 9.669 1.178 631 H SER 77 H SER 77 2.174 12.057 0.828 632 HA SER 77 HA SER 77 3.955 13.955 -0.268 633 HB2 SER 77 1HB SER 77 2.115 14.570 -1.758 634 HB3 SER 77 2HB SER 77 2.235 12.821 -1.604 635 HG SER 77 HG SER 77 0.673 13.856 0.334 636 H ALA 78 H ALA 78 1.098 14.341 1.773 637 HA ALA 78 HA ALA 78 1.402 17.266 1.793 638 HB1 ALA 78 3HB ALA 78 -0.709 17.290 2.962 639 HB2 ALA 78 1HB ALA 78 -0.652 15.539 3.188 640 HB3 ALA 78 2HB ALA 78 -0.850 16.217 1.571 641 H SER 79 H SER 79 0.803 14.858 4.342 642 HA SER 79 HA SER 79 1.806 16.544 6.392 643 HB2 SER 79 1HB SER 79 0.137 14.541 6.515 644 HB3 SER 79 2HB SER 79 1.587 13.568 6.731 645 HG SER 79 HG SER 79 1.046 15.913 8.225 646 H ALA 80 H ALA 80 3.266 13.895 4.560 647 HA ALA 80 HA ALA 80 5.427 13.110 4.463 648 HB1 ALA 80 3HB ALA 80 6.136 15.924 5.314 649 HB2 ALA 80 1HB ALA 80 5.748 15.449 3.662 650 HB3 ALA 80 2HB ALA 80 7.173 14.780 4.461 651 H LYS 81 H LYS 81 3.984 12.859 6.984 652 HA LYS 81 HA LYS 81 5.657 13.341 9.200 653 HB2 LYS 81 1HB LYS 81 3.285 11.571 8.646 654 HB3 LYS 81 2HB LYS 81 4.073 11.595 10.228 655 HG2 LYS 81 1HG LYS 81 3.641 13.906 10.508 656 HG3 LYS 81 2HG LYS 81 3.198 14.108 8.834 657 HD2 LYS 81 1HD LYS 81 1.220 14.067 10.369 658 HD3 LYS 81 2HD LYS 81 1.174 12.795 9.149 659 HE2 LYS 81 1HE LYS 81 1.795 11.129 10.698 660 HE3 LYS 81 2HE LYS 81 2.374 12.303 11.879 661 HZ1 LYS 81 3HZ LYS 81 0.354 11.861 12.763 662 HZ2 LYS 81 1HZ LYS 81 -0.347 11.444 11.276 663 HZ3 LYS 81 2HZ LYS 81 -0.134 13.079 11.685 664 H SER 82 H SER 82 5.908 11.270 10.653 665 HA SER 82 HA SER 82 8.174 9.892 9.580 666 HB2 SER 82 1HB SER 82 6.670 9.729 12.183 667 HB3 SER 82 2HB SER 82 7.993 8.629 11.816 668 HG SER 82 HG SER 82 8.012 11.438 12.091 669 H LEU 83 H LEU 83 8.478 7.717 9.259 670 HA LEU 83 HA LEU 83 6.446 6.365 7.851 671 HB2 LEU 83 1HB LEU 83 9.023 5.368 9.080 672 HB3 LEU 83 2HB LEU 83 7.995 4.412 8.029 673 HG LEU 83 HG LEU 83 8.296 6.705 6.506 674 HD11 LEU 83 1HD1 LEU 83 9.955 7.532 8.242 675 HD12 LEU 83 2HD1 LEU 83 10.580 7.444 6.597 676 HD13 LEU 83 3HD1 LEU 83 10.999 6.191 7.764 677 HD21 LEU 83 3HD2 LEU 83 9.890 4.137 6.599 678 HD22 LEU 83 1HD2 LEU 83 10.164 5.345 5.342 679 HD23 LEU 83 2HD2 LEU 83 8.585 4.574 5.496 680 H GLN 84 H GLN 84 7.669 6.015 11.148 681 HA GLN 84 HA GLN 84 6.221 3.700 11.857 682 HB2 GLN 84 1HB GLN 84 7.226 5.964 13.599 683 HB3 GLN 84 2HB GLN 84 6.736 4.369 14.175 684 HG2 GLN 84 1HG GLN 84 8.936 4.872 12.153 685 HG3 GLN 84 2HG GLN 84 9.208 4.566 13.867 686 HE21 GLN 84 2HE2 GLN 84 9.021 3.036 10.865 687 HE22 GLN 84 1HE2 GLN 84 8.736 1.451 11.407 688 H GLU 85 H GLU 85 5.413 7.144 12.182 689 HA GLU 85 HA GLU 85 3.026 6.736 13.652 690 HB2 GLU 85 1HB GLU 85 4.524 8.943 12.655 691 HB3 GLU 85 2HB GLU 85 2.882 9.157 12.063 692 HG2 GLU 85 1HG GLU 85 3.626 8.648 14.962 693 HG3 GLU 85 2HG GLU 85 3.243 10.227 14.279 694 H LEU 86 H LEU 86 3.687 7.069 10.196 695 HA LEU 86 HA LEU 86 1.016 7.157 9.319 696 HB2 LEU 86 1HB LEU 86 3.561 6.262 7.954 697 HB3 LEU 86 2HB LEU 86 2.023 6.440 7.115 698 HG LEU 86 HG LEU 86 3.262 8.685 8.729 699 HD11 LEU 86 1HD1 LEU 86 4.000 9.577 6.493 700 HD12 LEU 86 2HD1 LEU 86 3.600 8.009 5.793 701 HD13 LEU 86 3HD1 LEU 86 4.870 8.134 7.012 702 HD21 LEU 86 3HD2 LEU 86 1.038 8.485 6.679 703 HD22 LEU 86 1HD2 LEU 86 1.839 10.018 7.013 704 HD23 LEU 86 2HD2 LEU 86 0.975 9.183 8.295 705 H LEU 87 H LEU 87 3.180 4.381 9.798 706 HA LEU 87 HA LEU 87 1.207 2.524 8.804 707 HB2 LEU 87 1HB LEU 87 2.809 0.785 9.413 708 HB3 LEU 87 2HB LEU 87 3.600 2.071 8.510 709 HG LEU 87 HG LEU 87 4.257 3.077 10.762 710 HD11 LEU 87 1HD1 LEU 87 2.902 0.596 11.683 711 HD12 LEU 87 2HD1 LEU 87 3.184 2.115 12.527 712 HD13 LEU 87 3HD1 LEU 87 4.469 0.914 12.427 713 HD21 LEU 87 3HD2 LEU 87 6.163 1.423 10.999 714 HD22 LEU 87 1HD2 LEU 87 5.884 2.010 9.357 715 HD23 LEU 87 2HD2 LEU 87 5.329 0.404 9.823 716 H SER 88 H SER 88 1.480 4.229 11.606 717 HA SER 88 HA SER 88 0.839 2.330 13.600 718 HB2 SER 88 1HB SER 88 -0.039 5.220 13.468 719 HB3 SER 88 2HB SER 88 0.080 4.221 14.911 720 HG SER 88 HG SER 88 2.392 4.053 13.672 721 H ALA 89 H ALA 89 -1.132 4.234 11.342 722 HA ALA 89 HA ALA 89 -3.490 2.570 12.114 723 HB1 ALA 89 3HB ALA 89 -4.900 4.512 11.633 724 HB2 ALA 89 1HB ALA 89 -3.466 5.462 11.236 725 HB3 ALA 89 2HB ALA 89 -3.714 4.889 12.883 726 H HIS 90 H HIS 90 -1.541 3.766 9.485 727 HA HIS 90 HA HIS 90 -3.563 3.139 7.474 728 HB2 HIS 90 1HB HIS 90 -0.670 3.900 7.086 729 HB3 HIS 90 2HB HIS 90 -1.942 3.917 5.866 730 HD1 HIS 90 HD1 HIS 90 -4.161 5.218 7.751 731 HD2 HIS 90 HD2 HIS 90 -0.300 6.667 7.194 732 HE1 HIS 90 HE1 HIS 90 -4.228 7.687 8.330 733 HE2 HIS 90 HE2 HIS 90 -1.882 8.583 7.983 734 H SER 91 H SER 91 -1.300 1.338 9.192 735 HA SER 91 HA SER 91 -0.197 -0.350 7.248 736 HB2 SER 91 1HB SER 91 0.077 -1.971 9.092 737 HB3 SER 91 2HB SER 91 0.618 -0.356 9.519 738 HG SER 91 HG SER 91 -1.318 -0.051 10.623 739 H LEU 92 H LEU 92 -3.395 -0.375 8.704 740 HA LEU 92 HA LEU 92 -5.175 -1.846 8.452 741 HB2 LEU 92 1HB LEU 92 -3.966 -1.755 5.691 742 HB3 LEU 92 2HB LEU 92 -5.572 -2.396 6.046 743 HG LEU 92 HG LEU 92 -4.666 0.388 6.819 744 HD11 LEU 92 1HD1 LEU 92 -6.088 -0.617 4.347 745 HD12 LEU 92 2HD1 LEU 92 -4.606 0.336 4.431 746 HD13 LEU 92 3HD1 LEU 92 -6.152 1.064 4.872 747 HD21 LEU 92 3HD2 LEU 92 -7.471 0.303 6.480 748 HD22 LEU 92 1HD2 LEU 92 -6.598 0.353 8.010 749 HD23 LEU 92 2HD2 LEU 92 -7.084 -1.195 7.330 750 H SER 93 H SER 93 -2.272 -2.975 8.817 751 HA SER 93 HA SER 93 -3.069 -5.776 8.703 752 HB2 SER 93 1HB SER 93 -2.145 -5.765 6.556 753 HB3 SER 93 2HB SER 93 -0.914 -4.579 6.982 754 HG SER 93 HG SER 93 0.123 -6.159 8.189 755 H SER 94 H SER 94 -1.221 -7.161 9.571 756 HA SER 94 HA SER 94 0.407 -5.705 11.562 757 HB2 SER 94 1HB SER 94 -1.186 -8.211 12.155 758 HB3 SER 94 2HB SER 94 -0.172 -7.311 13.280 759 HG SER 94 HG SER 94 -2.728 -6.901 12.637 760 H TRP 95 H TRP 95 0.959 -6.932 8.941 761 HA TRP 95 HA TRP 95 3.135 -8.715 9.791 762 HB2 TRP 95 1HB TRP 95 2.645 -10.354 8.106 763 HB3 TRP 95 2HB TRP 95 1.173 -10.105 9.037 764 HD1 TRP 95 HD1 TRP 95 2.736 -9.255 5.650 765 HE1 TRP 95 HE1 TRP 95 0.849 -8.590 4.026 766 HE3 TRP 95 HE3 TRP 95 -1.214 -9.247 8.873 767 HZ2 TRP 95 HZ2 TRP 95 -1.984 -8.123 4.092 768 HZ3 TRP 95 HZ3 TRP 95 -3.488 -8.681 8.077 769 HH2 TRP 95 HH2 TRP 95 -3.882 -8.127 5.694 770 H GLY 96 H GLY 96 4.689 -9.093 7.969 771 HA2 GLY 96 1HA GLY 96 5.183 -8.047 5.638 772 HA3 GLY 96 2HA GLY 96 5.164 -6.545 6.557 773 H ALA 97 H ALA 97 6.529 -9.818 6.947 774 HA ALA 97 HA ALA 97 8.559 -10.519 7.760 775 HB1 ALA 97 3HB ALA 97 10.395 -9.806 6.479 776 HB2 ALA 97 1HB ALA 97 9.755 -8.173 6.300 777 HB3 ALA 97 2HB ALA 97 9.015 -9.512 5.421 778 H GLU 98 H GLU 98 7.099 -8.484 9.359 779 HA GLU 98 HA GLU 98 7.460 -7.045 11.143 780 HB2 GLU 98 1HB GLU 98 9.715 -9.044 11.401 781 HB3 GLU 98 2HB GLU 98 9.282 -7.889 12.663 782 HG2 GLU 98 1HG GLU 98 7.035 -8.813 12.800 783 HG3 GLU 98 2HG GLU 98 7.366 -9.907 11.456 784 H VAL 99 H VAL 99 9.598 -6.066 12.423 785 HA VAL 99 HA VAL 99 10.966 -4.437 10.355 786 HB VAL 99 HB VAL 99 10.635 -3.770 13.285 787 HG11 VAL 99 1HG1 VAL 99 12.415 -2.571 12.098 788 HG12 VAL 99 2HG1 VAL 99 11.074 -1.478 12.437 789 HG13 VAL 99 3HG1 VAL 99 11.285 -2.135 10.815 790 HG21 VAL 99 3HG2 VAL 99 8.914 -2.941 10.926 791 HG22 VAL 99 1HG2 VAL 99 8.752 -2.345 12.576 792 HG23 VAL 99 2HG2 VAL 99 8.414 -4.036 12.217 793 H LYS 100 H LYS 100 12.708 -5.774 9.952 794 HA LYS 100 HA LYS 100 14.557 -6.322 12.198 795 HB2 LYS 100 1HB LYS 100 14.399 -7.608 9.457 796 HB3 LYS 100 2HB LYS 100 15.503 -8.067 10.749 797 HG2 LYS 100 1HG LYS 100 12.482 -8.169 11.010 798 HG3 LYS 100 2HG LYS 100 13.459 -9.547 10.517 799 HD2 LYS 100 1HD LYS 100 14.711 -9.391 12.668 800 HD3 LYS 100 2HD LYS 100 13.663 -8.067 13.164 801 HE2 LYS 100 1HE LYS 100 11.704 -9.475 13.052 802 HE3 LYS 100 2HE LYS 100 12.662 -10.814 12.420 803 HZ1 LYS 100 3HZ LYS 100 12.363 -9.882 15.119 804 HZ2 LYS 100 1HZ LYS 100 13.987 -10.081 14.672 805 HZ3 LYS 100 2HZ LYS 100 12.905 -11.388 14.553 806 H HIS 101 H HIS 101 14.017 -4.100 9.888 807 HA HIS 101 HA HIS 101 16.492 -3.849 8.558 808 HB2 HIS 101 1HB HIS 101 14.453 -2.630 7.863 809 HB3 HIS 101 2HB HIS 101 14.545 -1.657 9.330 810 HD1 HIS 101 HD1 HIS 101 17.001 -2.603 6.541 811 HD2 HIS 101 HD2 HIS 101 15.862 0.699 8.814 812 HE1 HIS 101 HE1 HIS 101 18.389 -0.650 5.717 813 HE2 HIS 101 HE2 HIS 101 17.710 1.369 7.097 814 H HIS 102 H HIS 102 15.270 -2.508 11.594 815 HA HIS 102 HA HIS 102 18.029 -2.137 12.534 816 HB2 HIS 102 1HB HIS 102 17.324 0.037 11.537 817 HB3 HIS 102 2HB HIS 102 15.973 0.082 12.670 818 HD1 HIS 102 HD1 HIS 102 16.462 0.882 15.022 819 HD2 HIS 102 HD2 HIS 102 19.943 0.127 12.859 820 HE1 HIS 102 HE1 HIS 102 18.386 1.696 16.452 821 HE2 HIS 102 HE2 HIS 102 20.514 1.265 15.137 822 H HIS 103 H HIS 103 18.187 -1.910 14.835 823 HA HIS 103 HA HIS 103 17.705 -2.701 16.942 824 HB2 HIS 103 1HB HIS 103 16.373 -0.599 16.868 825 HB3 HIS 103 2HB HIS 103 14.984 -1.532 16.313 826 HD1 HIS 103 HD1 HIS 103 13.465 -2.163 18.187 827 HD2 HIS 103 HD2 HIS 103 17.434 -1.958 19.442 828 HE1 HIS 103 HE1 HIS 103 13.463 -2.711 20.661 829 HE2 HIS 103 HE2 HIS 103 15.878 -2.599 21.436 830 H HIS 104 H HIS 104 17.484 -4.661 14.956 831 HA HIS 104 HA HIS 104 15.084 -6.095 14.897 832 HB2 HIS 104 1HB HIS 104 16.708 -8.106 14.502 833 HB3 HIS 104 2HB HIS 104 16.663 -6.793 13.325 834 HD1 HIS 104 HD1 HIS 104 18.835 -8.344 15.941 835 HD2 HIS 104 HD2 HIS 104 18.957 -5.063 13.368 836 HE1 HIS 104 HE1 HIS 104 21.231 -7.529 15.935 837 HE2 HIS 104 HE2 HIS 104 21.319 -5.524 14.381 838 H HIS 105 H HIS 105 17.806 -6.316 17.181 839 HA HIS 105 HA HIS 105 16.001 -7.692 19.075 840 HB2 HIS 105 1HB HIS 105 18.837 -8.531 18.420 841 HB3 HIS 105 2HB HIS 105 17.874 -9.170 19.751 842 HD1 HIS 105 HD1 HIS 105 18.872 -10.426 16.762 843 HD2 HIS 105 HD2 HIS 105 15.033 -9.677 18.198 844 HE1 HIS 105 HE1 HIS 105 17.303 -11.885 15.408 845 HE2 HIS 105 HE2 HIS 105 14.956 -11.431 16.266 846 H HIS 106 H HIS 106 16.272 -7.156 21.196 847 HA HIS 106 HA HIS 106 17.736 -4.714 21.728 848 HB2 HIS 106 1HB HIS 106 16.658 -4.817 23.920 849 HB3 HIS 106 2HB HIS 106 15.476 -5.113 22.645 850 HD1 HIS 106 HD1 HIS 106 17.422 -6.908 25.335 851 HD2 HIS 106 HD2 HIS 106 14.329 -7.680 22.647 852 HE1 HIS 106 HE1 HIS 106 16.467 -9.165 25.972 853 HE2 HIS 106 HE2 HIS 106 14.576 -9.644 24.351 Start of MODEL 7 1 H1 MET 1 1H MET 1 10.633 12.621 -3.628 2 H2 MET 1 2H MET 1 10.251 10.979 -3.416 3 H3 MET 1 3H MET 1 10.521 11.596 -4.977 4 HA MET 1 HA MET 1 12.451 10.402 -4.359 5 HB2 MET 1 1HB MET 1 12.752 13.402 -4.144 6 HB3 MET 1 2HB MET 1 14.126 12.302 -4.268 7 HG2 MET 1 1HG MET 1 13.209 11.415 -6.388 8 HG3 MET 1 2HG MET 1 11.858 12.539 -6.266 9 HE1 MET 1 3HE MET 1 12.533 14.243 -8.696 10 HE2 MET 1 1HE MET 1 12.822 12.502 -8.608 11 HE3 MET 1 2HE MET 1 14.084 13.578 -9.200 12 H LYS 2 H LYS 2 11.086 9.979 -2.038 13 HA LYS 2 HA LYS 2 13.178 9.907 -0.145 14 HB2 LYS 2 1HB LYS 2 12.381 12.359 -0.046 15 HB3 LYS 2 2HB LYS 2 10.954 11.723 0.763 16 HG2 LYS 2 1HG LYS 2 12.283 12.087 2.627 17 HG3 LYS 2 2HG LYS 2 12.792 10.446 2.241 18 HD2 LYS 2 1HD LYS 2 14.674 11.403 0.887 19 HD3 LYS 2 2HD LYS 2 14.206 13.010 1.442 20 HE2 LYS 2 1HE LYS 2 14.401 11.929 3.843 21 HE3 LYS 2 2HE LYS 2 15.395 10.736 3.007 22 HZ1 LYS 2 3HZ LYS 2 16.341 13.027 3.963 23 HZ2 LYS 2 1HZ LYS 2 15.960 13.509 2.381 24 HZ3 LYS 2 2HZ LYS 2 17.025 12.209 2.639 25 HA PRO 3 HA PRO 3 9.375 7.923 1.768 26 HB2 PRO 3 1HB PRO 3 6.929 8.040 0.650 27 HB3 PRO 3 2HB PRO 3 7.605 9.413 1.554 28 HG2 PRO 3 1HG PRO 3 7.297 9.052 -1.377 29 HG3 PRO 3 2HG PRO 3 7.239 10.533 -0.409 30 HD2 PRO 3 1HD PRO 3 9.477 9.559 -1.895 31 HD3 PRO 3 2HD PRO 3 9.471 10.926 -0.760 32 H LEU 4 H LEU 4 8.462 7.602 -1.696 33 HA LEU 4 HA LEU 4 8.448 4.681 -1.368 34 HB2 LEU 4 1HB LEU 4 7.421 6.438 -3.595 35 HB3 LEU 4 2HB LEU 4 7.227 4.686 -3.492 36 HG LEU 4 HG LEU 4 6.190 6.686 -1.469 37 HD11 LEU 4 1HD1 LEU 4 5.096 6.336 -3.890 38 HD12 LEU 4 2HD1 LEU 4 4.121 6.552 -2.443 39 HD13 LEU 4 3HD1 LEU 4 4.383 4.936 -3.092 40 HD21 LEU 4 3HD2 LEU 4 4.874 4.444 -0.835 41 HD22 LEU 4 1HD2 LEU 4 6.470 4.787 -0.170 42 HD23 LEU 4 2HD2 LEU 4 6.305 3.687 -1.539 43 H SER 5 H SER 5 10.632 6.955 -2.343 44 HA SER 5 HA SER 5 11.665 5.837 -4.722 45 HB2 SER 5 1HB SER 5 12.193 8.106 -3.992 46 HB3 SER 5 2HB SER 5 13.074 7.467 -2.611 47 HG SER 5 HG SER 5 13.754 7.553 -5.297 48 H ASN 6 H ASN 6 12.306 5.092 -1.346 49 HA ASN 6 HA ASN 6 14.456 3.239 -2.136 50 HB2 ASN 6 1HB ASN 6 13.547 4.304 0.538 51 HB3 ASN 6 2HB ASN 6 14.785 3.063 0.354 52 HD21 ASN 6 2HD2 ASN 6 15.389 5.660 1.467 53 HD22 ASN 6 1HD2 ASN 6 16.437 6.443 0.386 54 H MET 7 H MET 7 11.303 2.856 -2.248 55 HA MET 7 HA MET 7 11.479 0.050 -1.382 56 HB2 MET 7 1HB MET 7 9.303 0.281 -0.186 57 HB3 MET 7 2HB MET 7 10.641 1.094 0.602 58 HG2 MET 7 1HG MET 7 9.959 3.214 -0.454 59 HG3 MET 7 2HG MET 7 8.586 2.387 -1.206 60 HE1 MET 7 3HE MET 7 6.931 0.751 1.605 61 HE2 MET 7 1HE MET 7 7.097 1.005 -0.127 62 HE3 MET 7 2HE MET 7 6.000 2.004 0.809 63 H LYS 8 H LYS 8 9.747 -1.290 -2.165 64 HA LYS 8 HA LYS 8 8.575 -0.277 -4.688 65 HB2 LYS 8 1HB LYS 8 9.548 -2.960 -3.757 66 HB3 LYS 8 2HB LYS 8 8.240 -2.927 -4.937 67 HG2 LYS 8 1HG LYS 8 10.271 -3.032 -6.190 68 HG3 LYS 8 2HG LYS 8 9.714 -1.365 -6.331 69 HD2 LYS 8 1HD LYS 8 11.234 -0.704 -4.507 70 HD3 LYS 8 2HD LYS 8 11.784 -2.374 -4.353 71 HE2 LYS 8 1HE LYS 8 12.610 -2.317 -6.678 72 HE3 LYS 8 2HE LYS 8 12.065 -0.646 -6.835 73 HZ1 LYS 8 3HZ LYS 8 13.771 0.117 -5.605 74 HZ2 LYS 8 1HZ LYS 8 14.516 -1.341 -6.055 75 HZ3 LYS 8 2HZ LYS 8 13.750 -1.212 -4.545 76 H ILE 9 H ILE 9 6.425 -0.811 -5.226 77 HA ILE 9 HA ILE 9 4.642 -1.323 -2.893 78 HB ILE 9 HB ILE 9 4.253 0.446 -5.284 79 HG12 ILE 9 1HG1 ILE 9 5.824 1.369 -3.646 80 HG13 ILE 9 2HG1 ILE 9 4.326 2.293 -3.656 81 HG21 ILE 9 1HG2 ILE 9 2.108 -0.414 -4.712 82 HG22 ILE 9 2HG2 ILE 9 2.192 1.183 -3.963 83 HG23 ILE 9 3HG2 ILE 9 2.435 -0.266 -2.985 84 HD11 ILE 9 3HD1 ILE 9 4.709 2.016 -1.366 85 HD12 ILE 9 1HD1 ILE 9 5.378 0.402 -1.568 86 HD13 ILE 9 2HD1 ILE 9 3.640 0.660 -1.696 87 H LEU 10 H LEU 10 3.040 -2.799 -3.101 88 HA LEU 10 HA LEU 10 2.751 -4.170 -5.724 89 HB2 LEU 10 1HB LEU 10 3.566 -5.507 -3.719 90 HB3 LEU 10 2HB LEU 10 1.980 -5.249 -3.015 91 HG LEU 10 HG LEU 10 1.940 -6.293 -5.815 92 HD11 LEU 10 1HD1 LEU 10 2.438 -8.591 -5.132 93 HD12 LEU 10 2HD1 LEU 10 2.824 -8.035 -3.500 94 HD13 LEU 10 3HD1 LEU 10 3.834 -7.549 -4.861 95 HD21 LEU 10 3HD2 LEU 10 0.108 -7.626 -4.947 96 HD22 LEU 10 1HD2 LEU 10 -0.088 -5.981 -4.349 97 HD23 LEU 10 2HD2 LEU 10 0.549 -7.229 -3.286 98 H THR 11 H THR 11 0.790 -4.160 -6.683 99 HA THR 11 HA THR 11 -1.502 -3.014 -5.170 100 HB THR 11 HB THR 11 -2.296 -2.102 -7.290 101 HG1 THR 11 HG1 THR 11 -0.611 -2.193 -9.017 102 HG21 THR 11 3HG2 THR 11 -0.557 -0.402 -7.602 103 HG22 THR 11 1HG2 THR 11 0.614 -1.430 -6.775 104 HG23 THR 11 2HG2 THR 11 -0.757 -0.763 -5.887 105 H LEU 12 H LEU 12 -3.202 -4.330 -4.909 106 HA LEU 12 HA LEU 12 -3.281 -6.959 -5.991 107 HB2 LEU 12 1HB LEU 12 -5.319 -5.219 -4.617 108 HB3 LEU 12 2HB LEU 12 -5.820 -6.748 -5.326 109 HG LEU 12 HG LEU 12 -3.938 -7.843 -3.985 110 HD11 LEU 12 1HD1 LEU 12 -3.416 -6.439 -1.874 111 HD12 LEU 12 2HD1 LEU 12 -3.881 -5.049 -2.842 112 HD13 LEU 12 3HD1 LEU 12 -2.531 -6.066 -3.351 113 HD21 LEU 12 3HD2 LEU 12 -6.265 -8.063 -3.311 114 HD22 LEU 12 1HD2 LEU 12 -6.230 -6.473 -2.548 115 HD23 LEU 12 2HD2 LEU 12 -5.278 -7.798 -1.874 116 H GLY 13 H GLY 13 -4.855 -3.936 -6.965 117 HA2 GLY 13 1HA GLY 13 -4.814 -4.181 -9.652 118 HA3 GLY 13 2HA GLY 13 -6.198 -5.180 -9.225 119 H LYS 14 H LYS 14 -7.774 -4.054 -7.645 120 HA LYS 14 HA LYS 14 -8.771 -1.729 -8.918 121 HB2 LYS 14 1HB LYS 14 -10.174 -3.336 -7.640 122 HB3 LYS 14 2HB LYS 14 -9.439 -2.757 -6.145 123 HG2 LYS 14 1HG LYS 14 -10.268 -0.474 -6.633 124 HG3 LYS 14 2HG LYS 14 -11.002 -1.067 -8.122 125 HD2 LYS 14 1HD LYS 14 -12.410 -2.617 -6.822 126 HD3 LYS 14 2HD LYS 14 -11.695 -2.013 -5.325 127 HE2 LYS 14 1HE LYS 14 -12.515 0.272 -5.883 128 HE3 LYS 14 2HE LYS 14 -13.257 -0.383 -7.343 129 HZ1 LYS 14 3HZ LYS 14 -13.899 -1.616 -4.763 130 HZ2 LYS 14 1HZ LYS 14 -14.839 -1.501 -6.167 131 HZ3 LYS 14 2HZ LYS 14 -14.635 -0.142 -5.169 132 H LEU 15 H LEU 15 -8.352 0.371 -8.605 133 HA LEU 15 HA LEU 15 -6.854 1.202 -6.191 134 HB2 LEU 15 1HB LEU 15 -5.386 0.975 -8.248 135 HB3 LEU 15 2HB LEU 15 -6.355 2.241 -8.988 136 HG LEU 15 HG LEU 15 -5.808 3.705 -6.996 137 HD11 LEU 15 1HD1 LEU 15 -3.546 2.919 -5.910 138 HD12 LEU 15 2HD1 LEU 15 -4.077 1.307 -6.385 139 HD13 LEU 15 3HD1 LEU 15 -5.058 2.267 -5.281 140 HD21 LEU 15 3HD2 LEU 15 -4.670 3.998 -9.128 141 HD22 LEU 15 1HD2 LEU 15 -3.558 2.681 -8.750 142 HD23 LEU 15 2HD2 LEU 15 -3.502 4.175 -7.816 143 H SER 16 H SER 16 -7.692 3.010 -5.214 144 HA SER 16 HA SER 16 -10.195 4.028 -6.000 145 HB2 SER 16 1HB SER 16 -9.129 4.103 -3.696 146 HB3 SER 16 2HB SER 16 -8.221 5.500 -4.256 147 HG SER 16 HG SER 16 -10.267 5.973 -3.202 148 H GLN 17 H GLN 17 -6.915 5.362 -6.413 149 HA GLN 17 HA GLN 17 -7.636 7.800 -7.615 150 HB2 GLN 17 1HB GLN 17 -5.200 6.044 -7.706 151 HB3 GLN 17 2HB GLN 17 -5.293 7.433 -8.780 152 HG2 GLN 17 1HG GLN 17 -5.015 8.943 -7.075 153 HG3 GLN 17 2HG GLN 17 -6.027 8.034 -5.961 154 HE21 GLN 17 2HE2 GLN 17 -4.756 7.636 -4.156 155 HE22 GLN 17 1HE2 GLN 17 -3.182 7.009 -4.202 156 H ASN 18 H ASN 18 -7.059 8.250 -10.035 157 HA ASN 18 HA ASN 18 -8.923 6.721 -11.566 158 HB2 ASN 18 1HB ASN 18 -6.991 8.877 -12.448 159 HB3 ASN 18 2HB ASN 18 -8.350 8.260 -13.386 160 HD21 ASN 18 2HD2 ASN 18 -7.465 10.667 -11.143 161 HD22 ASN 18 1HD2 ASN 18 -9.023 11.118 -10.650 162 H LYS 19 H LYS 19 -5.631 7.558 -12.607 163 HA LYS 19 HA LYS 19 -4.651 4.929 -12.837 164 HB2 LYS 19 1HB LYS 19 -6.592 5.570 -14.808 165 HB3 LYS 19 2HB LYS 19 -5.052 5.700 -15.636 166 HG2 LYS 19 1HG LYS 19 -5.754 3.277 -13.953 167 HG3 LYS 19 2HG LYS 19 -6.207 3.404 -15.649 168 HD2 LYS 19 1HD LYS 19 -3.358 3.919 -14.821 169 HD3 LYS 19 2HD LYS 19 -3.926 2.266 -15.034 170 HE2 LYS 19 1HE LYS 19 -4.642 4.104 -17.259 171 HE3 LYS 19 2HE LYS 19 -2.917 3.803 -17.074 172 HZ1 LYS 19 3HZ LYS 19 -4.616 2.170 -18.355 173 HZ2 LYS 19 1HZ LYS 19 -4.572 1.456 -16.816 174 HZ3 LYS 19 2HZ LYS 19 -3.129 1.681 -17.686 175 H ASP 20 H ASP 20 -4.664 7.785 -14.955 176 HA ASP 20 HA ASP 20 -1.901 7.777 -15.446 177 HB2 ASP 20 1HB ASP 20 -4.010 9.931 -15.607 178 HB3 ASP 20 2HB ASP 20 -2.354 10.174 -16.133 179 H GLU 21 H GLU 21 -3.908 9.400 -13.043 180 HA GLU 21 HA GLU 21 -1.873 11.077 -11.961 181 HB2 GLU 21 1HB GLU 21 -3.424 11.557 -10.207 182 HB3 GLU 21 2HB GLU 21 -4.348 11.429 -11.696 183 HG2 GLU 21 1HG GLU 21 -4.872 9.043 -11.072 184 HG3 GLU 21 2HG GLU 21 -4.093 9.348 -9.518 185 H ALA 22 H ALA 22 -3.136 7.918 -11.111 186 HA ALA 22 HA ALA 22 -1.767 7.522 -8.686 187 HB1 ALA 22 3HB ALA 22 -3.491 6.011 -9.279 188 HB2 ALA 22 1HB ALA 22 -2.003 5.069 -9.319 189 HB3 ALA 22 2HB ALA 22 -2.735 5.627 -10.820 190 H LYS 23 H LYS 23 -0.934 6.576 -11.992 191 HA LYS 23 HA LYS 23 1.608 5.476 -11.450 192 HB2 LYS 23 1HB LYS 23 0.376 6.687 -13.928 193 HB3 LYS 23 2HB LYS 23 1.962 5.919 -13.913 194 HG2 LYS 23 1HG LYS 23 1.011 3.822 -13.173 195 HG3 LYS 23 2HG LYS 23 -0.578 4.564 -12.981 196 HD2 LYS 23 1HD LYS 23 -0.737 4.989 -15.354 197 HD3 LYS 23 2HD LYS 23 0.919 4.420 -15.613 198 HE2 LYS 23 1HE LYS 23 0.258 2.171 -14.819 199 HE3 LYS 23 2HE LYS 23 -1.392 2.741 -14.587 200 HZ1 LYS 23 3HZ LYS 23 0.044 2.150 -17.048 201 HZ2 LYS 23 1HZ LYS 23 -0.993 3.491 -17.089 202 HZ3 LYS 23 2HZ LYS 23 -1.605 1.959 -16.682 203 H ALA 24 H ALA 24 0.624 8.746 -12.437 204 HA ALA 24 HA ALA 24 3.219 9.793 -12.734 205 HB1 ALA 24 3HB ALA 24 1.071 10.833 -13.532 206 HB2 ALA 24 1HB ALA 24 2.176 11.950 -12.726 207 HB3 ALA 24 2HB ALA 24 0.765 11.326 -11.864 208 H MET 25 H MET 25 1.013 9.932 -9.904 209 HA MET 25 HA MET 25 2.915 11.339 -8.327 210 HB2 MET 25 1HB MET 25 1.404 11.232 -6.564 211 HB3 MET 25 2HB MET 25 0.364 11.182 -7.984 212 HG2 MET 25 1HG MET 25 0.277 8.689 -7.782 213 HG3 MET 25 2HG MET 25 1.226 8.806 -6.297 214 HE1 MET 25 3HE MET 25 -0.245 11.586 -4.769 215 HE2 MET 25 1HE MET 25 0.806 10.194 -4.480 216 HE3 MET 25 2HE MET 25 -0.768 10.299 -3.695 217 H ILE 26 H ILE 26 2.170 7.882 -8.596 218 HA ILE 26 HA ILE 26 3.803 7.044 -6.456 219 HB ILE 26 HB ILE 26 2.862 5.670 -8.971 220 HG12 ILE 26 1HG1 ILE 26 2.019 5.288 -6.089 221 HG13 ILE 26 2HG1 ILE 26 1.264 6.499 -7.121 222 HG21 ILE 26 1HG2 ILE 26 3.424 3.570 -7.617 223 HG22 ILE 26 2HG2 ILE 26 4.396 4.612 -6.582 224 HG23 ILE 26 3HG2 ILE 26 4.807 4.434 -8.287 225 HD11 ILE 26 3HD1 ILE 26 -0.045 4.462 -7.203 226 HD12 ILE 26 1HD1 ILE 26 1.384 3.519 -7.633 227 HD13 ILE 26 2HD1 ILE 26 0.737 4.708 -8.766 228 H GLU 27 H GLU 27 4.534 7.432 -9.922 229 HA GLU 27 HA GLU 27 7.261 6.573 -9.611 230 HB2 GLU 27 1HB GLU 27 5.761 7.862 -11.891 231 HB3 GLU 27 2HB GLU 27 7.465 7.411 -11.987 232 HG2 GLU 27 1HG GLU 27 6.925 5.084 -11.499 233 HG3 GLU 27 2HG GLU 27 5.232 5.496 -11.240 234 H LYS 28 H LYS 28 5.610 9.661 -9.523 235 HA LYS 28 HA LYS 28 7.791 11.385 -9.930 236 HB2 LYS 28 1HB LYS 28 5.444 12.130 -9.855 237 HB3 LYS 28 2HB LYS 28 5.398 11.786 -8.128 238 HG2 LYS 28 1HG LYS 28 7.123 13.462 -7.718 239 HG3 LYS 28 2HG LYS 28 7.313 13.732 -9.450 240 HD2 LYS 28 1HD LYS 28 5.919 15.511 -8.726 241 HD3 LYS 28 2HD LYS 28 4.815 14.351 -9.461 242 HE2 LYS 28 1HE LYS 28 4.147 13.512 -7.295 243 HE3 LYS 28 2HE LYS 28 5.392 14.467 -6.487 244 HZ1 LYS 28 3HZ LYS 28 4.308 16.467 -7.149 245 HZ2 LYS 28 1HZ LYS 28 3.147 15.471 -6.416 246 HZ3 LYS 28 2HZ LYS 28 3.192 15.619 -8.107 247 H LEU 29 H LEU 29 6.529 9.915 -6.952 248 HA LEU 29 HA LEU 29 8.349 11.105 -5.123 249 HB2 LEU 29 1HB LEU 29 7.048 8.354 -5.026 250 HB3 LEU 29 2HB LEU 29 7.789 9.192 -3.671 251 HG LEU 29 HG LEU 29 5.501 10.300 -5.265 252 HD11 LEU 29 1HD1 LEU 29 4.434 8.516 -4.259 253 HD12 LEU 29 2HD1 LEU 29 4.265 9.718 -2.986 254 HD13 LEU 29 3HD1 LEU 29 5.529 8.490 -2.877 255 HD21 LEU 29 3HD2 LEU 29 6.951 11.132 -2.758 256 HD22 LEU 29 1HD2 LEU 29 5.280 11.629 -3.021 257 HD23 LEU 29 2HD2 LEU 29 6.527 12.113 -4.163 258 H GLY 30 H GLY 30 8.300 8.263 -7.077 259 HA2 GLY 30 1HA GLY 30 10.491 7.598 -8.096 260 HA3 GLY 30 2HA GLY 30 11.113 7.600 -6.443 261 H GLY 31 H GLY 31 7.924 6.838 -6.243 262 HA2 GLY 31 1HA GLY 31 8.352 4.177 -5.427 263 HA3 GLY 31 2HA GLY 31 6.786 4.893 -5.810 264 H LYS 32 H LYS 32 7.669 2.203 -6.398 265 HA LYS 32 HA LYS 32 7.288 2.207 -9.323 266 HB2 LYS 32 1HB LYS 32 9.390 0.646 -7.798 267 HB3 LYS 32 2HB LYS 32 8.901 0.291 -9.454 268 HG2 LYS 32 1HG LYS 32 9.576 2.516 -10.183 269 HG3 LYS 32 2HG LYS 32 9.971 2.972 -8.528 270 HD2 LYS 32 1HD LYS 32 12.052 2.381 -9.556 271 HD3 LYS 32 2HD LYS 32 11.625 1.031 -8.511 272 HE2 LYS 32 1HE LYS 32 10.946 -0.315 -10.349 273 HE3 LYS 32 2HE LYS 32 10.871 1.068 -11.441 274 HZ1 LYS 32 3HZ LYS 32 13.008 0.842 -11.917 275 HZ2 LYS 32 1HZ LYS 32 13.001 -0.627 -11.068 276 HZ3 LYS 32 2HZ LYS 32 13.452 0.810 -10.278 277 H LEU 33 H LEU 33 6.286 0.302 -10.118 278 HA LEU 33 HA LEU 33 4.635 -1.088 -8.111 279 HB2 LEU 33 1HB LEU 33 4.481 -1.008 -11.136 280 HB3 LEU 33 2HB LEU 33 3.359 -1.875 -10.093 281 HG LEU 33 HG LEU 33 3.861 1.115 -9.990 282 HD11 LEU 33 1HD1 LEU 33 1.472 1.139 -10.926 283 HD12 LEU 33 2HD1 LEU 33 1.716 -0.564 -11.304 284 HD13 LEU 33 3HD1 LEU 33 2.741 0.661 -12.052 285 HD21 LEU 33 3HD2 LEU 33 3.045 0.609 -7.861 286 HD22 LEU 33 1HD2 LEU 33 2.137 -0.795 -8.425 287 HD23 LEU 33 2HD2 LEU 33 1.527 0.832 -8.729 288 H THR 34 H THR 34 5.100 -3.114 -7.490 289 HA THR 34 HA THR 34 6.846 -4.777 -9.236 290 HB THR 34 HB THR 34 6.682 -4.710 -6.214 291 HG1 THR 34 HG1 THR 34 8.056 -3.285 -7.946 292 HG21 THR 34 3HG2 THR 34 8.644 -6.282 -6.413 293 HG22 THR 34 1HG2 THR 34 8.252 -6.456 -8.124 294 HG23 THR 34 2HG2 THR 34 7.096 -6.975 -6.894 295 H GLY 35 H GLY 35 5.850 -6.426 -10.076 296 HA2 GLY 35 1HA GLY 35 3.250 -7.307 -9.322 297 HA3 GLY 35 2HA GLY 35 4.319 -8.087 -10.482 298 H SER 36 H SER 36 6.503 -8.512 -8.699 299 HA SER 36 HA SER 36 5.804 -11.025 -7.617 300 HB2 SER 36 1HB SER 36 8.198 -9.225 -7.277 301 HB3 SER 36 2HB SER 36 8.087 -10.791 -6.481 302 HG SER 36 HG SER 36 8.742 -10.235 -9.009 303 H ALA 37 H ALA 37 5.377 -11.690 -5.534 304 HA ALA 37 HA ALA 37 4.532 -9.612 -3.643 305 HB1 ALA 37 3HB ALA 37 4.229 -12.574 -3.188 306 HB2 ALA 37 1HB ALA 37 3.151 -11.732 -4.302 307 HB3 ALA 37 2HB ALA 37 3.213 -11.253 -2.610 308 H ASN 38 H ASN 38 5.144 -9.723 -1.425 309 HA ASN 38 HA ASN 38 6.595 -9.899 0.326 310 HB2 ASN 38 1HB ASN 38 6.647 -12.357 -0.378 311 HB3 ASN 38 2HB ASN 38 8.169 -11.961 -1.166 312 HD21 ASN 38 2HD2 ASN 38 6.699 -11.018 2.008 313 HD22 ASN 38 1HD2 ASN 38 8.057 -11.442 2.936 314 H LYS 39 H LYS 39 7.923 -9.822 -2.912 315 HA LYS 39 HA LYS 39 10.451 -8.703 -2.271 316 HB2 LYS 39 1HB LYS 39 9.854 -9.741 -4.456 317 HB3 LYS 39 2HB LYS 39 8.862 -8.328 -4.812 318 HG2 LYS 39 1HG LYS 39 10.823 -6.870 -4.617 319 HG3 LYS 39 2HG LYS 39 11.822 -8.256 -4.178 320 HD2 LYS 39 1HD LYS 39 11.305 -9.318 -6.341 321 HD3 LYS 39 2HD LYS 39 10.340 -7.915 -6.789 322 HE2 LYS 39 1HE LYS 39 13.285 -7.793 -6.082 323 HE3 LYS 39 2HE LYS 39 12.665 -7.856 -7.731 324 HZ1 LYS 39 3HZ LYS 39 11.235 -5.864 -6.503 325 HZ2 LYS 39 1HZ LYS 39 12.499 -5.658 -7.613 326 HZ3 LYS 39 2HZ LYS 39 12.825 -5.646 -5.946 327 H ALA 40 H ALA 40 7.272 -7.362 -2.941 328 HA ALA 40 HA ALA 40 8.042 -4.622 -3.048 329 HB1 ALA 40 3HB ALA 40 5.368 -5.818 -2.314 330 HB2 ALA 40 1HB ALA 40 5.906 -5.477 -3.956 331 HB3 ALA 40 2HB ALA 40 5.657 -4.154 -2.818 332 H SER 41 H SER 41 6.883 -3.038 -1.352 333 HA SER 41 HA SER 41 7.825 -3.955 1.324 334 HB2 SER 41 1HB SER 41 7.582 -1.230 0.072 335 HB3 SER 41 2HB SER 41 7.824 -1.455 1.799 336 HG SER 41 HG SER 41 9.643 -1.503 -0.121 337 H LEU 42 H LEU 42 5.491 -1.547 0.130 338 HA LEU 42 HA LEU 42 3.510 -2.588 2.090 339 HB2 LEU 42 1HB LEU 42 3.966 0.248 1.149 340 HB3 LEU 42 2HB LEU 42 2.663 -0.276 2.218 341 HG LEU 42 HG LEU 42 5.613 -0.632 2.791 342 HD11 LEU 42 1HD1 LEU 42 4.728 1.747 2.784 343 HD12 LEU 42 2HD1 LEU 42 5.428 1.207 4.306 344 HD13 LEU 42 3HD1 LEU 42 3.678 1.271 4.117 345 HD21 LEU 42 3HD2 LEU 42 3.107 -1.470 4.187 346 HD22 LEU 42 1HD2 LEU 42 4.459 -0.927 5.191 347 HD23 LEU 42 2HD2 LEU 42 4.676 -2.271 4.074 348 H CYS 43 H CYS 43 1.860 -3.470 1.223 349 HA CYS 43 HA CYS 43 1.182 -3.215 -1.579 350 HB2 CYS 43 1HB CYS 43 0.908 -5.392 -0.686 351 HB3 CYS 43 2HB CYS 43 0.045 -4.790 0.728 352 HG CYS 43 HG CYS 43 -1.168 -5.147 -2.101 353 H ILE 44 H ILE 44 -0.812 -2.455 -2.409 354 HA ILE 44 HA ILE 44 -2.029 -0.346 -0.726 355 HB ILE 44 HB ILE 44 -2.260 -0.802 -3.711 356 HG12 ILE 44 1HG1 ILE 44 0.086 -0.260 -2.816 357 HG13 ILE 44 2HG1 ILE 44 -0.547 0.808 -4.055 358 HG21 ILE 44 1HG2 ILE 44 -4.105 0.491 -2.944 359 HG22 ILE 44 2HG2 ILE 44 -2.953 1.654 -3.603 360 HG23 ILE 44 3HG2 ILE 44 -3.089 1.437 -1.857 361 HD11 ILE 44 3HD1 ILE 44 -1.207 1.701 -1.314 362 HD12 ILE 44 1HD1 ILE 44 -0.518 2.602 -2.659 363 HD13 ILE 44 2HD1 ILE 44 0.518 1.620 -1.632 364 H SER 45 H SER 45 -3.715 -1.097 0.341 365 HA SER 45 HA SER 45 -5.987 -2.101 -1.114 366 HB2 SER 45 1HB SER 45 -4.554 -4.157 -0.593 367 HB3 SER 45 2HB SER 45 -4.935 -3.852 1.096 368 HG SER 45 HG SER 45 -6.934 -3.988 -0.886 369 H THR 46 H THR 46 -7.833 -1.520 -0.139 370 HA THR 46 HA THR 46 -7.630 0.013 2.352 371 HB THR 46 HB THR 46 -9.869 0.792 1.811 372 HG1 THR 46 HG1 THR 46 -11.085 -0.543 0.743 373 HG21 THR 46 3HG2 THR 46 -9.418 1.832 -0.373 374 HG22 THR 46 1HG2 THR 46 -8.138 0.657 -0.674 375 HG23 THR 46 2HG2 THR 46 -7.961 1.840 0.623 376 H LYS 47 H LYS 47 -9.444 -0.260 3.961 377 HA LYS 47 HA LYS 47 -9.463 -2.815 5.056 378 HB2 LYS 47 1HB LYS 47 -10.836 -0.251 5.476 379 HB3 LYS 47 2HB LYS 47 -11.824 -1.620 5.970 380 HG2 LYS 47 1HG LYS 47 -8.961 -1.259 6.847 381 HG3 LYS 47 2HG LYS 47 -10.324 -0.584 7.727 382 HD2 LYS 47 1HD LYS 47 -11.288 -2.826 7.992 383 HD3 LYS 47 2HD LYS 47 -9.908 -3.527 7.146 384 HE2 LYS 47 1HE LYS 47 -8.378 -2.693 8.820 385 HE3 LYS 47 2HE LYS 47 -9.684 -1.822 9.618 386 HZ1 LYS 47 3HZ LYS 47 -10.309 -3.665 10.687 387 HZ2 LYS 47 1HZ LYS 47 -8.861 -4.376 10.166 388 HZ3 LYS 47 2HZ LYS 47 -10.284 -4.595 9.266 389 H LYS 48 H LYS 48 -11.769 -1.233 2.901 390 HA LYS 48 HA LYS 48 -13.801 -3.131 3.020 391 HB2 LYS 48 1HB LYS 48 -12.852 -1.476 0.668 392 HB3 LYS 48 2HB LYS 48 -14.356 -2.394 0.692 393 HG2 LYS 48 1HG LYS 48 -15.093 -1.124 2.686 394 HG3 LYS 48 2HG LYS 48 -13.609 -0.179 2.621 395 HD2 LYS 48 1HD LYS 48 -15.420 -0.327 0.211 396 HD3 LYS 48 2HD LYS 48 -15.778 0.791 1.524 397 HE2 LYS 48 1HE LYS 48 -13.197 0.689 -0.072 398 HE3 LYS 48 2HE LYS 48 -14.452 1.920 -0.198 399 HZ1 LYS 48 3HZ LYS 48 -13.409 3.003 1.404 400 HZ2 LYS 48 1HZ LYS 48 -12.332 1.719 1.673 401 HZ3 LYS 48 2HZ LYS 48 -13.825 1.755 2.479 402 H GLU 49 H GLU 49 -10.852 -3.034 1.021 403 HA GLU 49 HA GLU 49 -11.374 -5.450 -0.409 404 HB2 GLU 49 1HB GLU 49 -8.805 -3.956 0.102 405 HB3 GLU 49 2HB GLU 49 -9.008 -5.257 -1.076 406 HG2 GLU 49 1HG GLU 49 -10.761 -3.950 -2.219 407 HG3 GLU 49 2HG GLU 49 -10.548 -2.643 -1.050 408 H VAL 50 H VAL 50 -9.375 -4.728 2.450 409 HA VAL 50 HA VAL 50 -8.251 -7.320 2.690 410 HB VAL 50 HB VAL 50 -8.717 -5.251 4.841 411 HG11 VAL 50 1HG1 VAL 50 -8.297 -7.392 5.857 412 HG12 VAL 50 2HG1 VAL 50 -6.809 -6.458 5.955 413 HG13 VAL 50 3HG1 VAL 50 -6.976 -7.717 4.736 414 HG21 VAL 50 3HG2 VAL 50 -7.317 -4.236 3.203 415 HG22 VAL 50 1HG2 VAL 50 -6.453 -5.744 2.890 416 HG23 VAL 50 2HG2 VAL 50 -6.202 -4.877 4.405 417 H GLU 51 H GLU 51 -11.106 -5.818 4.121 418 HA GLU 51 HA GLU 51 -11.797 -7.787 5.942 419 HB2 GLU 51 1HB GLU 51 -13.446 -5.826 4.337 420 HB3 GLU 51 2HB GLU 51 -14.150 -6.877 5.576 421 HG2 GLU 51 1HG GLU 51 -11.752 -5.113 6.146 422 HG3 GLU 51 2HG GLU 51 -13.396 -4.533 6.387 423 H LYS 52 H LYS 52 -12.342 -7.730 2.469 424 HA LYS 52 HA LYS 52 -14.263 -9.797 2.370 425 HB2 LYS 52 1HB LYS 52 -12.258 -9.321 0.180 426 HB3 LYS 52 2HB LYS 52 -13.962 -9.769 0.048 427 HG2 LYS 52 1HG LYS 52 -14.467 -7.512 1.182 428 HG3 LYS 52 2HG LYS 52 -12.783 -7.138 0.844 429 HD2 LYS 52 1HD LYS 52 -13.101 -7.467 -1.532 430 HD3 LYS 52 2HD LYS 52 -14.765 -7.974 -1.260 431 HE2 LYS 52 1HE LYS 52 -15.284 -5.739 -0.312 432 HE3 LYS 52 2HE LYS 52 -13.630 -5.239 -0.628 433 HZ1 LYS 52 3HZ LYS 52 -15.472 -6.217 -2.731 434 HZ2 LYS 52 1HZ LYS 52 -13.941 -5.528 -2.954 435 HZ3 LYS 52 2HZ LYS 52 -15.222 -4.575 -2.379 436 H MET 53 H MET 53 -10.742 -9.823 2.315 437 HA MET 53 HA MET 53 -9.199 -11.509 2.536 438 HB2 MET 53 1HB MET 53 -11.587 -12.870 3.802 439 HB3 MET 53 2HB MET 53 -9.989 -13.596 3.745 440 HG2 MET 53 1HG MET 53 -10.321 -10.801 4.820 441 HG3 MET 53 2HG MET 53 -10.670 -12.190 5.849 442 HE1 MET 53 3HE MET 53 -6.888 -10.320 5.995 443 HE2 MET 53 1HE MET 53 -8.584 -9.940 6.329 444 HE3 MET 53 2HE MET 53 -7.950 -9.801 4.692 445 H SER 54 H SER 54 -9.948 -11.196 0.069 446 HA SER 54 HA SER 54 -11.020 -13.607 -1.128 447 HB2 SER 54 1HB SER 54 -9.886 -11.070 -2.317 448 HB3 SER 54 2HB SER 54 -10.538 -12.396 -3.273 449 HG SER 54 HG SER 54 -12.140 -10.862 -2.871 450 H LYS 55 H LYS 55 -9.672 -14.173 -3.287 451 HA LYS 55 HA LYS 55 -7.530 -15.766 -2.448 452 HB2 LYS 55 1HB LYS 55 -8.924 -16.156 -4.460 453 HB3 LYS 55 2HB LYS 55 -8.127 -14.795 -5.248 454 HG2 LYS 55 1HG LYS 55 -5.967 -15.916 -5.108 455 HG3 LYS 55 2HG LYS 55 -6.685 -17.241 -4.189 456 HD2 LYS 55 1HD LYS 55 -8.167 -17.752 -6.101 457 HD3 LYS 55 2HD LYS 55 -7.420 -16.450 -7.023 458 HE2 LYS 55 1HE LYS 55 -5.980 -18.892 -5.940 459 HE3 LYS 55 2HE LYS 55 -6.437 -18.626 -7.621 460 HZ1 LYS 55 3HZ LYS 55 -4.122 -17.782 -6.356 461 HZ2 LYS 55 1HZ LYS 55 -5.039 -16.380 -6.635 462 HZ3 LYS 55 2HZ LYS 55 -4.638 -17.403 -7.933 463 H LYS 56 H LYS 56 -7.487 -12.605 -4.101 464 HA LYS 56 HA LYS 56 -4.703 -12.430 -4.426 465 HB2 LYS 56 1HB LYS 56 -6.743 -10.225 -4.082 466 HB3 LYS 56 2HB LYS 56 -5.090 -9.986 -4.636 467 HG2 LYS 56 1HG LYS 56 -7.102 -11.769 -6.047 468 HG3 LYS 56 2HG LYS 56 -6.810 -10.092 -6.487 469 HD2 LYS 56 1HD LYS 56 -4.432 -10.645 -6.965 470 HD3 LYS 56 2HD LYS 56 -4.753 -12.329 -6.569 471 HE2 LYS 56 1HE LYS 56 -6.433 -12.464 -8.344 472 HE3 LYS 56 2HE LYS 56 -6.140 -10.774 -8.758 473 HZ1 LYS 56 3HZ LYS 56 -3.814 -12.528 -8.655 474 HZ2 LYS 56 1HZ LYS 56 -4.164 -11.252 -9.717 475 HZ3 LYS 56 2HZ LYS 56 -4.893 -12.770 -9.945 476 H MET 57 H MET 57 -6.816 -11.456 -1.779 477 HA MET 57 HA MET 57 -4.842 -10.193 -0.200 478 HB2 MET 57 1HB MET 57 -7.575 -10.624 -0.008 479 HB3 MET 57 2HB MET 57 -6.962 -11.636 1.295 480 HG2 MET 57 1HG MET 57 -6.518 -8.667 0.880 481 HG3 MET 57 2HG MET 57 -7.372 -9.446 2.211 482 HE1 MET 57 3HE MET 57 -6.513 -11.181 3.529 483 HE2 MET 57 1HE MET 57 -5.038 -10.951 4.468 484 HE3 MET 57 2HE MET 57 -5.037 -11.997 3.051 485 H GLU 58 H GLU 58 -5.873 -13.524 -0.556 486 HA GLU 58 HA GLU 58 -4.489 -14.680 1.576 487 HB2 GLU 58 1HB GLU 58 -5.693 -16.412 0.720 488 HB3 GLU 58 2HB GLU 58 -5.994 -15.486 -0.737 489 HG2 GLU 58 1HG GLU 58 -3.954 -16.289 -1.748 490 HG3 GLU 58 2HG GLU 58 -3.506 -17.116 -0.263 491 H GLU 59 H GLU 59 -3.474 -13.829 -1.708 492 HA GLU 59 HA GLU 59 -0.898 -15.053 -1.583 493 HB2 GLU 59 1HB GLU 59 -1.554 -12.551 -3.156 494 HB3 GLU 59 2HB GLU 59 -0.336 -13.766 -3.517 495 HG2 GLU 59 1HG GLU 59 -3.137 -14.802 -3.351 496 HG3 GLU 59 2HG GLU 59 -2.814 -13.711 -4.686 497 H VAL 60 H VAL 60 -2.115 -11.821 -0.838 498 HA VAL 60 HA VAL 60 0.364 -10.617 -0.228 499 HB VAL 60 HB VAL 60 -2.470 -10.018 0.630 500 HG11 VAL 60 1HG1 VAL 60 0.062 -8.414 1.046 501 HG12 VAL 60 2HG1 VAL 60 -1.013 -9.023 2.304 502 HG13 VAL 60 3HG1 VAL 60 -1.559 -7.757 1.208 503 HG21 VAL 60 3HG2 VAL 60 -2.201 -8.196 -1.027 504 HG22 VAL 60 1HG2 VAL 60 -2.016 -9.786 -1.760 505 HG23 VAL 60 2HG2 VAL 60 -0.593 -8.802 -1.414 506 H LYS 61 H LYS 61 -2.075 -12.133 1.884 507 HA LYS 61 HA LYS 61 -0.667 -11.718 4.299 508 HB2 LYS 61 1HB LYS 61 -3.059 -12.291 4.214 509 HB3 LYS 61 2HB LYS 61 -2.650 -13.892 3.601 510 HG2 LYS 61 1HG LYS 61 -1.425 -14.395 5.661 511 HG3 LYS 61 2HG LYS 61 -1.689 -12.756 6.250 512 HD2 LYS 61 1HD LYS 61 -3.328 -14.109 7.339 513 HD3 LYS 61 2HD LYS 61 -4.190 -13.228 6.079 514 HE2 LYS 61 1HE LYS 61 -4.304 -15.140 4.671 515 HE3 LYS 61 2HE LYS 61 -3.075 -15.999 5.597 516 HZ1 LYS 61 3HZ LYS 61 -4.613 -16.007 7.486 517 HZ2 LYS 61 1HZ LYS 61 -5.228 -16.848 6.151 518 HZ3 LYS 61 2HZ LYS 61 -5.810 -15.293 6.515 519 H ALA 62 H ALA 62 -0.734 -14.466 2.048 520 HA ALA 62 HA ALA 62 1.128 -16.006 3.622 521 HB1 ALA 62 3HB ALA 62 1.092 -17.564 1.724 522 HB2 ALA 62 1HB ALA 62 0.222 -16.374 0.757 523 HB3 ALA 62 2HB ALA 62 -0.545 -17.087 2.172 524 H ALA 63 H ALA 63 1.458 -13.383 1.526 525 HA ALA 63 HA ALA 63 4.136 -14.154 0.600 526 HB1 ALA 63 3HB ALA 63 4.042 -11.925 -0.570 527 HB2 ALA 63 1HB ALA 63 2.389 -11.763 0.012 528 HB3 ALA 63 2HB ALA 63 2.813 -13.078 -1.082 529 H ASN 64 H ASN 64 2.799 -12.850 3.321 530 HA ASN 64 HA ASN 64 3.623 -11.630 5.070 531 HB2 ASN 64 1HB ASN 64 6.098 -12.739 3.776 532 HB3 ASN 64 2HB ASN 64 6.264 -11.596 5.101 533 HD21 ASN 64 2HD2 ASN 64 3.839 -12.531 6.540 534 HD22 ASN 64 1HD2 ASN 64 4.248 -14.040 7.188 535 H VAL 65 H VAL 65 2.598 -9.949 3.369 536 HA VAL 65 HA VAL 65 4.578 -7.745 3.159 537 HB VAL 65 HB VAL 65 2.340 -8.508 1.273 538 HG11 VAL 65 1HG1 VAL 65 3.218 -6.420 0.014 539 HG12 VAL 65 2HG1 VAL 65 3.888 -5.936 1.573 540 HG13 VAL 65 3HG1 VAL 65 2.149 -6.157 1.393 541 HG21 VAL 65 3HG2 VAL 65 4.178 -8.586 -0.357 542 HG22 VAL 65 1HG2 VAL 65 4.472 -9.671 0.999 543 HG23 VAL 65 2HG2 VAL 65 5.309 -8.120 0.911 544 H ARG 66 H ARG 66 4.034 -6.056 4.387 545 HA ARG 66 HA ARG 66 1.638 -5.993 5.917 546 HB2 ARG 66 1HB ARG 66 3.845 -4.848 6.478 547 HB3 ARG 66 2HB ARG 66 3.391 -3.617 5.310 548 HG2 ARG 66 1HG ARG 66 1.244 -3.283 6.573 549 HG3 ARG 66 2HG ARG 66 1.856 -4.399 7.797 550 HD2 ARG 66 1HD ARG 66 3.230 -1.836 6.945 551 HD3 ARG 66 2HD ARG 66 2.264 -2.019 8.401 552 HE ARG 66 HE ARG 66 4.971 -2.878 8.039 553 HH11 ARG 66 1HH2 ARG 66 1.961 -3.584 9.580 554 HH12 ARG 66 2HH2 ARG 66 2.672 -4.460 10.893 555 HH21 ARG 66 1HH1 ARG 66 5.931 -3.980 9.781 556 HH22 ARG 66 2HH1 ARG 66 4.929 -4.668 11.015 557 H VAL 67 H VAL 67 -0.130 -4.586 5.728 558 HA VAL 67 HA VAL 67 -0.693 -3.695 2.954 559 HB VAL 67 HB VAL 67 -2.599 -4.653 5.095 560 HG11 VAL 67 1HG1 VAL 67 -2.923 -3.810 2.218 561 HG12 VAL 67 2HG1 VAL 67 -3.762 -3.174 3.631 562 HG13 VAL 67 3HG1 VAL 67 -4.125 -4.800 3.045 563 HG21 VAL 67 3HG2 VAL 67 -1.393 -6.005 2.673 564 HG22 VAL 67 1HG2 VAL 67 -2.811 -6.628 3.516 565 HG23 VAL 67 2HG2 VAL 67 -1.262 -6.515 4.356 566 H VAL 68 H VAL 68 -1.233 -1.634 2.641 567 HA VAL 68 HA VAL 68 -2.188 0.003 4.915 568 HB VAL 68 HB VAL 68 -0.767 1.870 4.150 569 HG11 VAL 68 1HG1 VAL 68 1.303 1.068 5.064 570 HG12 VAL 68 2HG1 VAL 68 0.940 -0.592 4.590 571 HG13 VAL 68 3HG1 VAL 68 0.015 0.176 5.881 572 HG21 VAL 68 3HG2 VAL 68 0.330 -0.206 2.224 573 HG22 VAL 68 1HG2 VAL 68 1.061 1.372 2.519 574 HG23 VAL 68 2HG2 VAL 68 -0.543 1.265 1.802 575 H CYS 69 H CYS 69 -3.407 1.883 4.208 576 HA CYS 69 HA CYS 69 -4.974 1.290 1.847 577 HB2 CYS 69 1HB CYS 69 -6.337 2.102 3.548 578 HB3 CYS 69 2HB CYS 69 -5.148 3.284 4.085 579 HG CYS 69 HG CYS 69 -5.924 4.155 1.374 580 H GLU 70 H GLU 70 -5.307 2.771 0.115 581 HA GLU 70 HA GLU 70 -2.928 3.642 -1.060 582 HB2 GLU 70 1HB GLU 70 -4.992 2.999 -2.278 583 HB3 GLU 70 2HB GLU 70 -5.736 4.510 -1.756 584 HG2 GLU 70 1HG GLU 70 -3.991 5.793 -2.880 585 HG3 GLU 70 2HG GLU 70 -3.182 4.309 -3.374 586 H ASP 71 H ASP 71 -5.336 5.356 0.831 587 HA ASP 71 HA ASP 71 -4.737 7.997 0.318 588 HB2 ASP 71 1HB ASP 71 -5.393 6.643 2.945 589 HB3 ASP 71 2HB ASP 71 -5.349 8.392 2.736 590 H PHE 72 H PHE 72 -2.729 5.567 1.536 591 HA PHE 72 HA PHE 72 -0.953 6.987 3.183 592 HB2 PHE 72 1HB PHE 72 -0.828 4.584 3.141 593 HB3 PHE 72 2HB PHE 72 -0.539 4.574 1.405 594 HD1 PHE 72 HD2 PHE 72 1.075 6.789 4.040 595 HD2 PHE 72 HD1 PHE 72 1.580 3.601 1.183 596 HE1 PHE 72 HE2 PHE 72 3.507 6.796 4.448 597 HE2 PHE 72 HE1 PHE 72 4.022 3.641 1.591 598 HZ PHE 72 HZ PHE 72 4.985 5.235 3.220 599 H LEU 73 H LEU 73 -1.139 6.495 -0.308 600 HA LEU 73 HA LEU 73 1.284 7.720 -1.044 601 HB2 LEU 73 1HB LEU 73 -1.388 7.598 -2.471 602 HB3 LEU 73 2HB LEU 73 0.095 8.174 -3.223 603 HG LEU 73 HG LEU 73 -0.305 5.395 -2.063 604 HD11 LEU 73 1HD1 LEU 73 -0.630 4.610 -4.272 605 HD12 LEU 73 2HD1 LEU 73 0.003 6.091 -4.985 606 HD13 LEU 73 3HD1 LEU 73 -1.587 6.089 -4.224 607 HD21 LEU 73 3HD2 LEU 73 2.002 6.823 -3.360 608 HD22 LEU 73 1HD2 LEU 73 1.840 5.077 -3.564 609 HD23 LEU 73 2HD2 LEU 73 1.995 5.759 -1.951 610 H GLN 74 H GLN 74 -1.956 9.021 -0.465 611 HA GLN 74 HA GLN 74 -1.370 11.707 -1.178 612 HB2 GLN 74 1HB GLN 74 -3.444 10.639 0.759 613 HB3 GLN 74 2HB GLN 74 -3.417 12.264 0.081 614 HG2 GLN 74 1HG GLN 74 -3.638 9.701 -1.521 615 HG3 GLN 74 2HG GLN 74 -4.975 10.783 -1.149 616 HE21 GLN 74 2HE2 GLN 74 -2.879 10.046 -3.585 617 HE22 GLN 74 1HE2 GLN 74 -2.784 11.555 -4.362 618 H ASP 75 H ASP 75 -1.215 9.889 1.826 619 HA ASP 75 HA ASP 75 -0.759 12.031 3.588 620 HB2 ASP 75 1HB ASP 75 -0.026 9.112 3.727 621 HB3 ASP 75 2HB ASP 75 0.257 10.236 5.056 622 H VAL 76 H VAL 76 1.655 9.910 1.968 623 HA VAL 76 HA VAL 76 3.872 11.336 3.104 624 HB VAL 76 HB VAL 76 5.224 10.182 1.335 625 HG11 VAL 76 1HG1 VAL 76 4.641 7.850 2.180 626 HG12 VAL 76 2HG1 VAL 76 3.318 8.616 3.066 627 HG13 VAL 76 3HG1 VAL 76 4.988 9.063 3.412 628 HG21 VAL 76 3HG2 VAL 76 3.968 8.378 0.061 629 HG22 VAL 76 1HG2 VAL 76 3.657 10.030 -0.476 630 HG23 VAL 76 2HG2 VAL 76 2.473 9.194 0.530 631 H SER 77 H SER 77 2.031 11.489 0.157 632 HA SER 77 HA SER 77 3.658 13.333 -1.256 633 HB2 SER 77 1HB SER 77 1.846 12.048 -2.330 634 HB3 SER 77 2HB SER 77 0.656 12.971 -1.417 635 HG SER 77 HG SER 77 2.624 14.225 -3.003 636 H ALA 78 H ALA 78 0.937 13.829 0.963 637 HA ALA 78 HA ALA 78 1.101 16.716 0.751 638 HB1 ALA 78 3HB ALA 78 -1.089 15.865 1.098 639 HB2 ALA 78 1HB ALA 78 -0.615 16.584 2.640 640 HB3 ALA 78 2HB ALA 78 -0.553 14.834 2.425 641 H SER 79 H SER 79 1.341 14.493 3.526 642 HA SER 79 HA SER 79 3.122 16.424 4.881 643 HB2 SER 79 1HB SER 79 0.943 15.627 5.964 644 HB3 SER 79 2HB SER 79 1.739 14.068 6.151 645 HG SER 79 HG SER 79 2.610 16.585 7.147 646 H ALA 80 H ALA 80 5.217 15.960 5.063 647 HA ALA 80 HA ALA 80 6.113 13.166 4.651 648 HB1 ALA 80 3HB ALA 80 7.046 14.738 3.029 649 HB2 ALA 80 1HB ALA 80 8.310 14.159 4.115 650 HB3 ALA 80 2HB ALA 80 7.630 15.773 4.335 651 H LYS 81 H LYS 81 5.343 12.996 6.995 652 HA LYS 81 HA LYS 81 7.373 14.012 8.889 653 HB2 LYS 81 1HB LYS 81 5.766 13.490 10.647 654 HB3 LYS 81 2HB LYS 81 5.054 14.557 9.445 655 HG2 LYS 81 1HG LYS 81 3.949 12.644 8.377 656 HG3 LYS 81 2HG LYS 81 4.670 11.554 9.569 657 HD2 LYS 81 1HD LYS 81 3.526 12.795 11.381 658 HD3 LYS 81 2HD LYS 81 2.791 13.863 10.181 659 HE2 LYS 81 1HE LYS 81 1.185 12.137 10.764 660 HE3 LYS 81 2HE LYS 81 1.744 11.871 9.114 661 HZ1 LYS 81 3HZ LYS 81 1.786 9.797 10.266 662 HZ2 LYS 81 1HZ LYS 81 2.647 10.464 11.561 663 HZ3 LYS 81 2HZ LYS 81 3.398 10.290 10.051 664 H SER 82 H SER 82 6.689 11.982 10.846 665 HA SER 82 HA SER 82 8.738 10.139 10.238 666 HB2 SER 82 1HB SER 82 8.182 10.631 12.540 667 HB3 SER 82 2HB SER 82 6.551 10.002 12.323 668 HG SER 82 HG SER 82 7.611 8.303 13.125 669 H LEU 83 H LEU 83 8.793 8.252 9.273 670 HA LEU 83 HA LEU 83 6.689 7.307 7.630 671 HB2 LEU 83 1HB LEU 83 9.148 5.891 8.698 672 HB3 LEU 83 2HB LEU 83 8.179 5.371 7.325 673 HG LEU 83 HG LEU 83 9.506 8.081 7.423 674 HD11 LEU 83 1HD1 LEU 83 11.300 7.105 6.073 675 HD12 LEU 83 2HD1 LEU 83 10.546 5.514 6.200 676 HD13 LEU 83 3HD1 LEU 83 11.187 6.306 7.642 677 HD21 LEU 83 3HD2 LEU 83 7.781 7.988 5.739 678 HD22 LEU 83 1HD2 LEU 83 8.290 6.381 5.222 679 HD23 LEU 83 2HD2 LEU 83 9.313 7.781 4.899 680 H GLN 84 H GLN 84 8.046 6.337 10.691 681 HA GLN 84 HA GLN 84 6.618 3.994 11.212 682 HB2 GLN 84 1HB GLN 84 7.965 6.090 12.897 683 HB3 GLN 84 2HB GLN 84 7.077 4.779 13.684 684 HG2 GLN 84 1HG GLN 84 9.541 4.342 13.318 685 HG3 GLN 84 2HG GLN 84 8.474 3.122 12.637 686 HE21 GLN 84 2HE2 GLN 84 8.856 2.623 10.463 687 HE22 GLN 84 1HE2 GLN 84 9.699 3.620 9.379 688 H GLU 85 H GLU 85 5.835 7.357 11.977 689 HA GLU 85 HA GLU 85 3.472 6.767 13.437 690 HB2 GLU 85 1HB GLU 85 4.654 8.948 13.578 691 HB3 GLU 85 2HB GLU 85 4.155 9.297 11.919 692 HG2 GLU 85 1HG GLU 85 1.808 9.175 12.547 693 HG3 GLU 85 2HG GLU 85 2.238 8.703 14.192 694 H LEU 86 H LEU 86 4.113 7.418 10.008 695 HA LEU 86 HA LEU 86 1.410 7.576 9.214 696 HB2 LEU 86 1HB LEU 86 3.878 6.772 7.664 697 HB3 LEU 86 2HB LEU 86 2.299 7.027 6.931 698 HG LEU 86 HG LEU 86 3.746 9.134 8.567 699 HD11 LEU 86 1HD1 LEU 86 4.332 10.177 6.416 700 HD12 LEU 86 2HD1 LEU 86 3.589 8.831 5.550 701 HD13 LEU 86 3HD1 LEU 86 5.029 8.560 6.533 702 HD21 LEU 86 3HD2 LEU 86 1.252 9.101 6.863 703 HD22 LEU 86 1HD2 LEU 86 2.118 10.603 7.178 704 HD23 LEU 86 2HD2 LEU 86 1.442 9.686 8.513 705 H LEU 87 H LEU 87 3.619 4.778 9.331 706 HA LEU 87 HA LEU 87 1.563 3.027 8.310 707 HB2 LEU 87 1HB LEU 87 3.175 1.257 8.510 708 HB3 LEU 87 2HB LEU 87 3.948 2.661 7.796 709 HG LEU 87 HG LEU 87 4.518 3.171 10.385 710 HD11 LEU 87 1HD1 LEU 87 5.282 0.928 11.377 711 HD12 LEU 87 2HD1 LEU 87 4.192 0.163 10.225 712 HD13 LEU 87 3HD1 LEU 87 3.557 1.264 11.444 713 HD21 LEU 87 3HD2 LEU 87 6.716 1.929 9.961 714 HD22 LEU 87 1HD2 LEU 87 6.235 3.091 8.724 715 HD23 LEU 87 2HD2 LEU 87 5.988 1.367 8.457 716 H SER 88 H SER 88 2.425 4.209 11.399 717 HA SER 88 HA SER 88 1.668 1.988 12.977 718 HB2 SER 88 1HB SER 88 1.341 3.631 14.792 719 HB3 SER 88 2HB SER 88 2.879 3.856 13.962 720 HG SER 88 HG SER 88 0.499 5.371 13.802 721 H ALA 89 H ALA 89 -0.185 4.686 11.605 722 HA ALA 89 HA ALA 89 -2.679 3.530 12.698 723 HB1 ALA 89 3HB ALA 89 -2.180 5.951 13.021 724 HB2 ALA 89 1HB ALA 89 -3.694 5.655 12.166 725 HB3 ALA 89 2HB ALA 89 -2.262 6.163 11.273 726 H HIS 90 H HIS 90 -0.925 3.883 9.724 727 HA HIS 90 HA HIS 90 -3.298 3.336 8.092 728 HB2 HIS 90 1HB HIS 90 -0.404 3.786 7.344 729 HB3 HIS 90 2HB HIS 90 -1.685 3.452 6.183 730 HD1 HIS 90 HD1 HIS 90 -3.956 5.146 7.385 731 HD2 HIS 90 HD2 HIS 90 -0.044 6.523 6.957 732 HE1 HIS 90 HE1 HIS 90 -4.078 7.671 7.434 733 HE2 HIS 90 HE2 HIS 90 -1.702 8.529 7.163 734 H SER 91 H SER 91 -0.961 1.539 9.777 735 HA SER 91 HA SER 91 -0.642 -0.629 7.990 736 HB2 SER 91 1HB SER 91 -0.115 -1.878 10.207 737 HB3 SER 91 2HB SER 91 0.943 -0.589 9.669 738 HG SER 91 HG SER 91 -1.018 -0.568 11.691 739 H LEU 92 H LEU 92 -2.511 -1.252 7.181 740 HA LEU 92 HA LEU 92 -4.865 -1.865 8.670 741 HB2 LEU 92 1HB LEU 92 -3.960 -2.741 5.921 742 HB3 LEU 92 2HB LEU 92 -5.583 -2.975 6.566 743 HG LEU 92 HG LEU 92 -4.235 -0.281 6.334 744 HD11 LEU 92 1HD1 LEU 92 -6.044 -1.794 4.438 745 HD12 LEU 92 2HD1 LEU 92 -4.494 -1.031 4.097 746 HD13 LEU 92 3HD1 LEU 92 -5.917 -0.040 4.393 747 HD21 LEU 92 3HD2 LEU 92 -7.041 0.030 6.295 748 HD22 LEU 92 1HD2 LEU 92 -5.968 0.351 7.660 749 HD23 LEU 92 2HD2 LEU 92 -6.767 -1.212 7.519 750 H SER 93 H SER 93 -1.920 -3.538 7.993 751 HA SER 93 HA SER 93 -3.043 -6.036 9.156 752 HB2 SER 93 1HB SER 93 -1.009 -5.741 6.939 753 HB3 SER 93 2HB SER 93 -1.397 -7.256 7.747 754 HG SER 93 HG SER 93 -2.597 -6.852 5.782 755 H SER 94 H SER 94 -1.586 -7.336 10.338 756 HA SER 94 HA SER 94 0.562 -5.801 11.673 757 HB2 SER 94 1HB SER 94 0.285 -7.522 13.473 758 HB3 SER 94 2HB SER 94 -1.156 -6.552 13.185 759 HG SER 94 HG SER 94 -1.634 -8.385 11.620 760 H TRP 95 H TRP 95 0.744 -7.367 9.072 761 HA TRP 95 HA TRP 95 3.041 -9.065 9.860 762 HB2 TRP 95 1HB TRP 95 2.398 -10.771 8.310 763 HB3 TRP 95 2HB TRP 95 0.995 -10.422 9.314 764 HD1 TRP 95 HD1 TRP 95 2.420 -9.395 5.862 765 HE1 TRP 95 HE1 TRP 95 0.436 -8.974 4.269 766 HE3 TRP 95 HE3 TRP 95 -1.487 -10.089 9.093 767 HZ2 TRP 95 HZ2 TRP 95 -2.425 -8.944 4.351 768 HZ3 TRP 95 HZ3 TRP 95 -3.822 -9.862 8.303 769 HH2 TRP 95 HH2 TRP 95 -4.297 -9.284 5.940 770 H GLY 96 H GLY 96 4.366 -9.621 7.808 771 HA2 GLY 96 1HA GLY 96 4.453 -8.267 5.460 772 HA3 GLY 96 2HA GLY 96 5.075 -7.079 6.591 773 H ALA 97 H ALA 97 6.030 -9.823 7.961 774 HA ALA 97 HA ALA 97 8.040 -10.989 6.449 775 HB1 ALA 97 3HB ALA 97 9.180 -8.904 6.172 776 HB2 ALA 97 1HB ALA 97 10.051 -9.757 7.439 777 HB3 ALA 97 2HB ALA 97 8.926 -8.468 7.860 778 H GLU 98 H GLU 98 6.173 -11.438 8.690 779 HA GLU 98 HA GLU 98 7.967 -12.082 10.929 780 HB2 GLU 98 1HB GLU 98 5.936 -12.542 12.185 781 HB3 GLU 98 2HB GLU 98 5.814 -10.964 11.417 782 HG2 GLU 98 1HG GLU 98 4.491 -11.984 9.578 783 HG3 GLU 98 2HG GLU 98 4.582 -13.541 10.398 784 H VAL 99 H VAL 99 8.399 -14.089 11.634 785 HA VAL 99 HA VAL 99 7.297 -16.406 10.183 786 HB VAL 99 HB VAL 99 9.624 -17.384 10.194 787 HG11 VAL 99 1HG1 VAL 99 8.584 -16.389 8.172 788 HG12 VAL 99 2HG1 VAL 99 10.329 -16.132 8.199 789 HG13 VAL 99 3HG1 VAL 99 9.236 -14.814 8.623 790 HG21 VAL 99 3HG2 VAL 99 10.413 -14.500 10.704 791 HG22 VAL 99 1HG2 VAL 99 11.504 -15.865 10.476 792 HG23 VAL 99 2HG2 VAL 99 10.502 -15.770 11.925 793 H LYS 100 H LYS 100 7.740 -18.462 11.319 794 HA LYS 100 HA LYS 100 8.130 -18.173 14.235 795 HB2 LYS 100 1HB LYS 100 5.758 -19.425 12.846 796 HB3 LYS 100 2HB LYS 100 6.119 -19.652 14.554 797 HG2 LYS 100 1HG LYS 100 5.967 -17.248 14.952 798 HG3 LYS 100 2HG LYS 100 5.691 -16.951 13.241 799 HD2 LYS 100 1HD LYS 100 3.865 -18.730 14.858 800 HD3 LYS 100 2HD LYS 100 3.624 -16.989 14.772 801 HE2 LYS 100 1HE LYS 100 3.624 -17.216 12.244 802 HE3 LYS 100 2HE LYS 100 3.571 -18.963 12.476 803 HZ1 LYS 100 3HZ LYS 100 1.519 -16.963 12.989 804 HZ2 LYS 100 1HZ LYS 100 1.616 -18.254 14.084 805 HZ3 LYS 100 2HZ LYS 100 1.366 -18.560 12.432 806 H HIS 101 H HIS 101 6.773 -20.929 12.558 807 HA HIS 101 HA HIS 101 9.084 -22.563 13.349 808 HB2 HIS 101 1HB HIS 101 7.654 -24.459 13.031 809 HB3 HIS 101 2HB HIS 101 6.715 -23.246 13.895 810 HD1 HIS 101 HD1 HIS 101 6.007 -25.599 11.547 811 HD2 HIS 101 HD2 HIS 101 5.558 -21.459 11.412 812 HE1 HIS 101 HE1 HIS 101 4.253 -25.125 9.786 813 HE2 HIS 101 HE2 HIS 101 3.960 -22.600 9.703 814 H HIS 102 H HIS 102 7.981 -20.858 10.712 815 HA HIS 102 HA HIS 102 8.548 -20.766 8.495 816 HB2 HIS 102 1HB HIS 102 10.849 -22.484 9.458 817 HB3 HIS 102 2HB HIS 102 10.748 -21.746 7.860 818 HD1 HIS 102 HD1 HIS 102 10.886 -20.788 11.527 819 HD2 HIS 102 HD2 HIS 102 11.484 -19.048 7.784 820 HE1 HIS 102 HE1 HIS 102 11.858 -18.492 11.957 821 HE2 HIS 102 HE2 HIS 102 12.265 -17.431 9.687 822 H HIS 103 H HIS 103 8.377 -21.904 6.531 823 HA HIS 103 HA HIS 103 7.913 -24.797 6.610 824 HB2 HIS 103 1HB HIS 103 5.721 -24.448 5.379 825 HB3 HIS 103 2HB HIS 103 5.700 -24.032 7.094 826 HD1 HIS 103 HD1 HIS 103 5.159 -22.605 3.745 827 HD2 HIS 103 HD2 HIS 103 5.918 -21.136 7.575 828 HE1 HIS 103 HE1 HIS 103 4.612 -20.131 3.687 829 HE2 HIS 103 HE2 HIS 103 5.098 -19.215 6.010 830 H HIS 104 H HIS 104 9.716 -24.948 5.287 831 HA HIS 104 HA HIS 104 9.652 -23.616 2.655 832 HB2 HIS 104 1HB HIS 104 11.849 -25.168 4.044 833 HB3 HIS 104 2HB HIS 104 11.999 -24.340 2.495 834 HD1 HIS 104 HD1 HIS 104 11.770 -21.694 2.536 835 HD2 HIS 104 HD2 HIS 104 12.028 -23.485 6.291 836 HE1 HIS 104 HE1 HIS 104 12.305 -19.843 4.181 837 HE2 HIS 104 HE2 HIS 104 12.449 -20.918 6.477 838 H HIS 105 H HIS 105 7.953 -25.993 3.448 839 HA HIS 105 HA HIS 105 8.582 -27.611 1.098 840 HB2 HIS 105 1HB HIS 105 8.396 -29.724 2.405 841 HB3 HIS 105 2HB HIS 105 9.834 -28.789 2.810 842 HD1 HIS 105 HD1 HIS 105 7.453 -30.687 4.491 843 HD2 HIS 105 HD2 HIS 105 8.895 -26.826 5.112 844 HE1 HIS 105 HE1 HIS 105 6.988 -30.137 6.915 845 HE2 HIS 105 HE2 HIS 105 7.844 -27.776 7.310 846 H HIS 106 H HIS 106 6.864 -29.166 0.610 847 HA HIS 106 HA HIS 106 4.205 -28.200 1.513 848 HB2 HIS 106 1HB HIS 106 3.386 -28.907 -0.692 849 HB3 HIS 106 2HB HIS 106 4.676 -27.722 -0.855 850 HD1 HIS 106 HD1 HIS 106 4.207 -31.504 -0.932 851 HD2 HIS 106 HD2 HIS 106 6.812 -28.590 -2.390 852 HE1 HIS 106 HE1 HIS 106 5.847 -32.703 -2.447 853 HE2 HIS 106 HE2 HIS 106 7.429 -30.931 -3.361 Start of MODEL 8 1 H1 MET 1 1H MET 1 9.315 12.408 0.634 2 H2 MET 1 2H MET 1 9.934 13.879 0.051 3 H3 MET 1 3H MET 1 9.194 13.813 1.579 4 HA MET 1 HA MET 1 11.876 13.567 1.032 5 HB2 MET 1 1HB MET 1 10.782 14.394 3.107 6 HB3 MET 1 2HB MET 1 10.336 12.737 3.511 7 HG2 MET 1 1HG MET 1 12.702 12.097 3.593 8 HG3 MET 1 2HG MET 1 13.176 13.723 3.095 9 HE1 MET 1 3HE MET 1 10.318 12.599 5.832 10 HE2 MET 1 1HE MET 1 11.517 12.291 7.095 11 HE3 MET 1 2HE MET 1 11.612 11.434 5.561 12 H LYS 2 H LYS 2 11.893 11.828 -0.568 13 HA LYS 2 HA LYS 2 12.021 9.603 -1.262 14 HB2 LYS 2 1HB LYS 2 13.748 9.569 1.222 15 HB3 LYS 2 2HB LYS 2 13.880 8.488 -0.160 16 HG2 LYS 2 1HG LYS 2 15.524 10.048 -0.688 17 HG3 LYS 2 2HG LYS 2 14.141 10.732 -1.536 18 HD2 LYS 2 1HD LYS 2 13.799 12.382 0.179 19 HD3 LYS 2 2HD LYS 2 14.880 11.544 1.292 20 HE2 LYS 2 1HE LYS 2 15.745 12.783 -1.334 21 HE3 LYS 2 2HE LYS 2 15.953 13.534 0.248 22 HZ1 LYS 2 3HZ LYS 2 17.948 12.461 -0.013 23 HZ2 LYS 2 1HZ LYS 2 17.273 11.170 -0.881 24 HZ3 LYS 2 2HZ LYS 2 17.062 11.262 0.800 25 HA PRO 3 HA PRO 3 9.404 7.730 2.133 26 HB2 PRO 3 1HB PRO 3 6.900 7.991 1.170 27 HB3 PRO 3 2HB PRO 3 7.715 9.333 1.999 28 HG2 PRO 3 1HG PRO 3 7.300 8.895 -0.918 29 HG3 PRO 3 2HG PRO 3 7.233 10.404 0.004 30 HD2 PRO 3 1HD PRO 3 9.427 9.525 -1.516 31 HD3 PRO 3 2HD PRO 3 9.494 10.764 -0.240 32 H LEU 4 H LEU 4 8.316 7.456 -1.284 33 HA LEU 4 HA LEU 4 8.195 4.532 -0.974 34 HB2 LEU 4 1HB LEU 4 6.983 6.483 -2.910 35 HB3 LEU 4 2HB LEU 4 7.097 4.778 -3.328 36 HG LEU 4 HG LEU 4 4.909 5.353 -2.329 37 HD11 LEU 4 1HD1 LEU 4 6.190 3.648 -0.234 38 HD12 LEU 4 2HD1 LEU 4 6.288 3.102 -1.906 39 HD13 LEU 4 3HD1 LEU 4 4.718 3.390 -1.161 40 HD21 LEU 4 3HD2 LEU 4 5.824 7.147 -0.817 41 HD22 LEU 4 1HD2 LEU 4 6.416 5.869 0.246 42 HD23 LEU 4 2HD2 LEU 4 4.689 6.048 -0.046 43 H SER 5 H SER 5 10.437 6.746 -1.869 44 HA SER 5 HA SER 5 11.386 5.569 -4.318 45 HB2 SER 5 1HB SER 5 12.885 7.422 -2.475 46 HB3 SER 5 2HB SER 5 13.148 7.180 -4.199 47 HG SER 5 HG SER 5 10.586 7.889 -3.403 48 H ASN 6 H ASN 6 11.622 4.594 -1.111 49 HA ASN 6 HA ASN 6 14.179 3.159 -1.615 50 HB2 ASN 6 1HB ASN 6 14.374 3.022 0.838 51 HB3 ASN 6 2HB ASN 6 14.310 4.691 0.280 52 HD21 ASN 6 2HD2 ASN 6 12.267 5.882 0.613 53 HD22 ASN 6 1HD2 ASN 6 11.151 5.357 1.780 54 H MET 7 H MET 7 11.138 2.534 -2.087 55 HA MET 7 HA MET 7 11.335 -0.269 -1.263 56 HB2 MET 7 1HB MET 7 9.035 -0.129 -0.237 57 HB3 MET 7 2HB MET 7 10.290 0.698 0.677 58 HG2 MET 7 1HG MET 7 9.638 2.817 -0.520 59 HG3 MET 7 2HG MET 7 8.267 1.937 -1.198 60 HE1 MET 7 3HE MET 7 6.332 1.261 -0.199 61 HE2 MET 7 1HE MET 7 5.774 1.531 1.455 62 HE3 MET 7 2HE MET 7 6.877 0.206 1.098 63 H LYS 8 H LYS 8 9.663 -1.596 -2.201 64 HA LYS 8 HA LYS 8 8.727 -0.587 -4.809 65 HB2 LYS 8 1HB LYS 8 9.288 -3.338 -3.739 66 HB3 LYS 8 2HB LYS 8 8.436 -3.069 -5.263 67 HG2 LYS 8 1HG LYS 8 10.316 -1.691 -6.071 68 HG3 LYS 8 2HG LYS 8 11.180 -1.975 -4.562 69 HD2 LYS 8 1HD LYS 8 10.224 -4.200 -6.346 70 HD3 LYS 8 2HD LYS 8 11.803 -3.458 -6.552 71 HE2 LYS 8 1HE LYS 8 12.215 -4.006 -4.079 72 HE3 LYS 8 2HE LYS 8 10.771 -5.012 -4.172 73 HZ1 LYS 8 3HZ LYS 8 12.323 -6.536 -4.759 74 HZ2 LYS 8 1HZ LYS 8 13.377 -5.382 -5.423 75 HZ3 LYS 8 2HZ LYS 8 12.017 -5.888 -6.301 76 H ILE 9 H ILE 9 6.619 -1.127 -5.540 77 HA ILE 9 HA ILE 9 4.625 -1.477 -3.346 78 HB ILE 9 HB ILE 9 4.560 0.324 -5.747 79 HG12 ILE 9 1HG1 ILE 9 4.423 1.037 -2.811 80 HG13 ILE 9 2HG1 ILE 9 5.924 1.042 -3.739 81 HG21 ILE 9 1HG2 ILE 9 2.371 1.102 -4.583 82 HG22 ILE 9 2HG2 ILE 9 2.455 -0.435 -3.723 83 HG23 ILE 9 3HG2 ILE 9 2.320 -0.416 -5.481 84 HD11 ILE 9 3HD1 ILE 9 3.464 2.585 -4.587 85 HD12 ILE 9 1HD1 ILE 9 5.104 2.739 -5.214 86 HD13 ILE 9 2HD1 ILE 9 4.728 3.288 -3.584 87 H LEU 10 H LEU 10 2.913 -2.736 -3.675 88 HA LEU 10 HA LEU 10 2.618 -4.093 -6.301 89 HB2 LEU 10 1HB LEU 10 3.472 -5.524 -4.423 90 HB3 LEU 10 2HB LEU 10 1.958 -5.247 -3.593 91 HG LEU 10 HG LEU 10 1.722 -6.207 -6.422 92 HD11 LEU 10 1HD1 LEU 10 2.572 -8.025 -4.165 93 HD12 LEU 10 2HD1 LEU 10 3.588 -7.563 -5.526 94 HD13 LEU 10 3HD1 LEU 10 2.139 -8.534 -5.795 95 HD21 LEU 10 3HD2 LEU 10 -0.257 -5.859 -4.922 96 HD22 LEU 10 1HD2 LEU 10 0.389 -7.077 -3.832 97 HD23 LEU 10 2HD2 LEU 10 -0.113 -7.522 -5.461 98 H THR 11 H THR 11 0.585 -4.152 -7.162 99 HA THR 11 HA THR 11 -1.555 -2.747 -5.668 100 HB THR 11 HB THR 11 -2.656 -2.515 -7.848 101 HG1 THR 11 HG1 THR 11 -0.412 -3.502 -9.161 102 HG21 THR 11 3HG2 THR 11 0.261 -1.813 -8.159 103 HG22 THR 11 1HG2 THR 11 -0.798 -0.943 -7.046 104 HG23 THR 11 2HG2 THR 11 -1.129 -0.924 -8.780 105 H LEU 12 H LEU 12 -2.813 -4.073 -4.524 106 HA LEU 12 HA LEU 12 -2.984 -6.863 -4.911 107 HB2 LEU 12 1HB LEU 12 -3.532 -5.351 -2.835 108 HB3 LEU 12 2HB LEU 12 -5.152 -5.315 -3.514 109 HG LEU 12 HG LEU 12 -3.610 -7.848 -2.853 110 HD11 LEU 12 1HD1 LEU 12 -4.924 -8.026 -0.886 111 HD12 LEU 12 2HD1 LEU 12 -6.037 -6.768 -1.417 112 HD13 LEU 12 3HD1 LEU 12 -4.403 -6.340 -0.919 113 HD21 LEU 12 3HD2 LEU 12 -6.105 -8.723 -3.046 114 HD22 LEU 12 1HD2 LEU 12 -5.125 -8.524 -4.496 115 HD23 LEU 12 2HD2 LEU 12 -6.311 -7.292 -4.058 116 H GLY 13 H GLY 13 -5.181 -4.229 -5.861 117 HA2 GLY 13 1HA GLY 13 -6.088 -5.494 -8.193 118 HA3 GLY 13 2HA GLY 13 -7.220 -5.886 -6.908 119 H LYS 14 H LYS 14 -8.582 -4.300 -6.091 120 HA LYS 14 HA LYS 14 -9.222 -2.185 -7.879 121 HB2 LYS 14 1HB LYS 14 -10.924 -3.331 -6.544 122 HB3 LYS 14 2HB LYS 14 -10.182 -2.747 -5.059 123 HG2 LYS 14 1HG LYS 14 -12.089 -1.336 -5.569 124 HG3 LYS 14 2HG LYS 14 -10.629 -0.395 -5.831 125 HD2 LYS 14 1HD LYS 14 -10.799 -0.573 -8.193 126 HD3 LYS 14 2HD LYS 14 -11.967 -1.890 -8.089 127 HE2 LYS 14 1HE LYS 14 -12.473 0.946 -7.141 128 HE3 LYS 14 2HE LYS 14 -12.999 0.305 -8.697 129 HZ1 LYS 14 3HZ LYS 14 -14.380 -1.273 -7.634 130 HZ2 LYS 14 1HZ LYS 14 -14.705 0.225 -6.908 131 HZ3 LYS 14 2HZ LYS 14 -13.745 -0.920 -6.096 132 H LEU 15 H LEU 15 -8.604 -0.099 -7.887 133 HA LEU 15 HA LEU 15 -7.027 0.927 -5.581 134 HB2 LEU 15 1HB LEU 15 -5.757 0.395 -7.769 135 HB3 LEU 15 2HB LEU 15 -6.630 1.763 -8.453 136 HG LEU 15 HG LEU 15 -5.676 2.810 -6.036 137 HD11 LEU 15 1HD1 LEU 15 -3.263 2.270 -6.029 138 HD12 LEU 15 2HD1 LEU 15 -3.545 1.032 -7.258 139 HD13 LEU 15 3HD1 LEU 15 -4.257 0.864 -5.654 140 HD21 LEU 15 3HD2 LEU 15 -4.369 2.893 -8.770 141 HD22 LEU 15 1HD2 LEU 15 -4.051 4.010 -7.447 142 HD23 LEU 15 2HD2 LEU 15 -5.645 3.969 -8.201 143 H SER 16 H SER 16 -7.723 2.803 -4.716 144 HA SER 16 HA SER 16 -10.193 3.942 -5.448 145 HB2 SER 16 1HB SER 16 -9.532 4.259 -3.219 146 HB3 SER 16 2HB SER 16 -7.938 4.850 -3.674 147 HG SER 16 HG SER 16 -10.429 6.140 -4.161 148 H GLN 17 H GLN 17 -6.862 5.109 -6.040 149 HA GLN 17 HA GLN 17 -7.712 7.437 -7.476 150 HB2 GLN 17 1HB GLN 17 -5.103 5.972 -7.139 151 HB3 GLN 17 2HB GLN 17 -5.234 7.323 -8.260 152 HG2 GLN 17 1HG GLN 17 -5.643 8.858 -6.562 153 HG3 GLN 17 2HG GLN 17 -6.215 7.627 -5.437 154 HE21 GLN 17 2HE2 GLN 17 -4.782 7.603 -3.742 155 HE22 GLN 17 1HE2 GLN 17 -3.093 7.569 -3.883 156 H ASN 18 H ASN 18 -6.918 7.741 -9.824 157 HA ASN 18 HA ASN 18 -8.021 5.524 -11.391 158 HB2 ASN 18 1HB ASN 18 -8.115 7.114 -13.221 159 HB3 ASN 18 2HB ASN 18 -8.833 7.825 -11.779 160 HD21 ASN 18 2HD2 ASN 18 -8.040 9.838 -11.158 161 HD22 ASN 18 1HD2 ASN 18 -6.593 10.509 -11.730 162 H LYS 19 H LYS 19 -6.951 5.149 -13.531 163 HA LYS 19 HA LYS 19 -4.531 3.873 -13.270 164 HB2 LYS 19 1HB LYS 19 -6.141 3.646 -15.158 165 HB3 LYS 19 2HB LYS 19 -5.567 5.193 -15.772 166 HG2 LYS 19 1HG LYS 19 -3.296 4.298 -16.001 167 HG3 LYS 19 2HG LYS 19 -3.805 2.772 -15.287 168 HD2 LYS 19 1HD LYS 19 -3.851 2.359 -17.616 169 HD3 LYS 19 2HD LYS 19 -5.536 2.671 -17.207 170 HE2 LYS 19 1HE LYS 19 -5.392 4.939 -18.026 171 HE3 LYS 19 2HE LYS 19 -3.649 4.802 -18.243 172 HZ1 LYS 19 3HZ LYS 19 -3.904 3.756 -20.175 173 HZ2 LYS 19 1HZ LYS 19 -5.496 4.339 -20.145 174 HZ3 LYS 19 2HZ LYS 19 -5.159 2.764 -19.605 175 H ASP 20 H ASP 20 -4.784 6.767 -15.281 176 HA ASP 20 HA ASP 20 -2.064 7.230 -15.501 177 HB2 ASP 20 1HB ASP 20 -3.944 8.197 -16.871 178 HB3 ASP 20 2HB ASP 20 -4.177 9.377 -15.586 179 H GLU 21 H GLU 21 -4.288 8.855 -13.197 180 HA GLU 21 HA GLU 21 -2.224 10.486 -12.124 181 HB2 GLU 21 1HB GLU 21 -4.935 9.754 -11.056 182 HB3 GLU 21 2HB GLU 21 -3.852 10.883 -10.244 183 HG2 GLU 21 1HG GLU 21 -3.780 12.261 -12.316 184 HG3 GLU 21 2HG GLU 21 -4.922 11.153 -13.070 185 H ALA 22 H ALA 22 -3.619 7.400 -11.022 186 HA ALA 22 HA ALA 22 -2.342 7.224 -8.523 187 HB1 ALA 22 3HB ALA 22 -3.005 5.048 -10.529 188 HB2 ALA 22 1HB ALA 22 -4.013 5.581 -9.187 189 HB3 ALA 22 2HB ALA 22 -2.485 4.755 -8.876 190 H LYS 23 H LYS 23 -1.357 6.065 -11.712 191 HA LYS 23 HA LYS 23 1.160 5.021 -11.020 192 HB2 LYS 23 1HB LYS 23 0.065 6.102 -13.629 193 HB3 LYS 23 2HB LYS 23 1.585 5.218 -13.476 194 HG2 LYS 23 1HG LYS 23 0.454 3.271 -12.606 195 HG3 LYS 23 2HG LYS 23 -1.082 4.131 -12.552 196 HD2 LYS 23 1HD LYS 23 -1.094 4.353 -14.978 197 HD3 LYS 23 2HD LYS 23 0.504 3.602 -15.079 198 HE2 LYS 23 1HE LYS 23 -1.474 2.046 -15.528 199 HE3 LYS 23 2HE LYS 23 -0.328 1.501 -14.304 200 HZ1 LYS 23 3HZ LYS 23 -2.875 1.488 -13.817 201 HZ2 LYS 23 1HZ LYS 23 -2.617 3.130 -13.468 202 HZ3 LYS 23 2HZ LYS 23 -1.766 1.939 -12.611 203 H ALA 24 H ALA 24 0.171 8.206 -12.241 204 HA ALA 24 HA ALA 24 2.735 9.339 -12.503 205 HB1 ALA 24 3HB ALA 24 1.603 11.484 -12.479 206 HB2 ALA 24 1HB ALA 24 0.167 10.754 -11.763 207 HB3 ALA 24 2HB ALA 24 0.641 10.336 -13.411 208 H MET 25 H MET 25 0.445 9.407 -9.758 209 HA MET 25 HA MET 25 2.077 10.953 -8.069 210 HB2 MET 25 1HB MET 25 -0.060 10.943 -7.256 211 HB3 MET 25 2HB MET 25 -0.387 9.320 -7.849 212 HG2 MET 25 1HG MET 25 -0.400 9.464 -5.368 213 HG3 MET 25 2HG MET 25 0.822 8.357 -5.975 214 HE1 MET 25 3HE MET 25 0.203 12.105 -5.240 215 HE2 MET 25 1HE MET 25 1.315 12.372 -3.892 216 HE3 MET 25 2HE MET 25 0.008 11.204 -3.741 217 H ILE 26 H ILE 26 1.732 7.432 -8.418 218 HA ILE 26 HA ILE 26 3.436 6.723 -6.305 219 HB ILE 26 HB ILE 26 2.642 5.346 -8.864 220 HG12 ILE 26 1HG1 ILE 26 1.864 4.680 -6.017 221 HG13 ILE 26 2HG1 ILE 26 0.989 5.913 -6.939 222 HG21 ILE 26 1HG2 ILE 26 3.446 3.264 -7.475 223 HG22 ILE 26 2HG2 ILE 26 4.450 4.441 -6.633 224 HG23 ILE 26 3HG2 ILE 26 4.632 4.214 -8.369 225 HD11 ILE 26 3HD1 ILE 26 1.392 3.029 -7.732 226 HD12 ILE 26 1HD1 ILE 26 0.597 4.244 -8.732 227 HD13 ILE 26 2HD1 ILE 26 -0.123 3.751 -7.199 228 H GLU 27 H GLU 27 4.162 7.229 -9.757 229 HA GLU 27 HA GLU 27 6.924 6.573 -9.460 230 HB2 GLU 27 1HB GLU 27 5.391 7.977 -11.641 231 HB3 GLU 27 2HB GLU 27 7.117 7.624 -11.750 232 HG2 GLU 27 1HG GLU 27 6.664 5.223 -11.418 233 HG3 GLU 27 2HG GLU 27 4.943 5.565 -11.262 234 H LYS 28 H LYS 28 5.068 9.536 -9.176 235 HA LYS 28 HA LYS 28 7.155 11.399 -9.367 236 HB2 LYS 28 1HB LYS 28 4.633 11.832 -9.250 237 HB3 LYS 28 2HB LYS 28 4.806 11.682 -7.506 238 HG2 LYS 28 1HG LYS 28 6.356 13.539 -7.438 239 HG3 LYS 28 2HG LYS 28 6.434 13.608 -9.195 240 HD2 LYS 28 1HD LYS 28 4.934 15.356 -8.473 241 HD3 LYS 28 2HD LYS 28 3.942 14.085 -9.190 242 HE2 LYS 28 1HE LYS 28 3.231 13.288 -7.068 243 HE3 LYS 28 2HE LYS 28 4.483 14.192 -6.216 244 HZ1 LYS 28 3HZ LYS 28 3.395 16.244 -6.873 245 HZ2 LYS 28 1HZ LYS 28 2.307 15.244 -6.039 246 HZ3 LYS 28 2HZ LYS 28 2.216 15.371 -7.730 247 H LEU 29 H LEU 29 5.899 9.675 -6.495 248 HA LEU 29 HA LEU 29 7.629 10.944 -4.627 249 HB2 LEU 29 1HB LEU 29 6.698 8.074 -4.450 250 HB3 LEU 29 2HB LEU 29 7.089 9.157 -3.133 251 HG LEU 29 HG LEU 29 4.700 9.211 -4.938 252 HD11 LEU 29 1HD1 LEU 29 3.499 9.197 -2.759 253 HD12 LEU 29 2HD1 LEU 29 5.053 9.089 -1.939 254 HD13 LEU 29 3HD1 LEU 29 4.514 7.771 -2.983 255 HD21 LEU 29 3HD2 LEU 29 5.825 11.357 -3.150 256 HD22 LEU 29 1HD2 LEU 29 4.108 11.305 -3.559 257 HD23 LEU 29 2HD2 LEU 29 5.313 11.499 -4.832 258 H GLY 30 H GLY 30 7.828 8.071 -6.569 259 HA2 GLY 30 1HA GLY 30 10.174 7.671 -7.489 260 HA3 GLY 30 2HA GLY 30 10.633 7.584 -5.790 261 H GLY 31 H GLY 31 7.567 6.577 -5.806 262 HA2 GLY 31 1HA GLY 31 8.128 3.885 -5.230 263 HA3 GLY 31 2HA GLY 31 6.536 4.552 -5.579 264 H LYS 32 H LYS 32 7.672 1.982 -6.399 265 HA LYS 32 HA LYS 32 7.390 2.238 -9.333 266 HB2 LYS 32 1HB LYS 32 9.347 0.494 -7.811 267 HB3 LYS 32 2HB LYS 32 9.032 0.396 -9.542 268 HG2 LYS 32 1HG LYS 32 9.805 2.662 -9.884 269 HG3 LYS 32 2HG LYS 32 9.953 2.926 -8.151 270 HD2 LYS 32 1HD LYS 32 12.163 2.494 -9.017 271 HD3 LYS 32 2HD LYS 32 11.670 1.078 -8.093 272 HE2 LYS 32 1HE LYS 32 11.136 -0.135 -10.121 273 HE3 LYS 32 2HE LYS 32 11.387 1.307 -11.107 274 HZ1 LYS 32 3HZ LYS 32 13.668 0.937 -9.569 275 HZ2 LYS 32 1HZ LYS 32 13.517 0.741 -11.247 276 HZ3 LYS 32 2HZ LYS 32 13.273 -0.584 -10.212 277 H LEU 33 H LEU 33 6.399 0.466 -10.345 278 HA LEU 33 HA LEU 33 4.757 -1.234 -8.564 279 HB2 LEU 33 1HB LEU 33 4.477 -0.645 -11.523 280 HB3 LEU 33 2HB LEU 33 3.369 -1.611 -10.550 281 HG LEU 33 HG LEU 33 4.015 1.308 -10.046 282 HD11 LEU 33 1HD1 LEU 33 1.565 -0.004 -11.267 283 HD12 LEU 33 2HD1 LEU 33 2.735 0.996 -12.126 284 HD13 LEU 33 3HD1 LEU 33 1.715 1.710 -10.878 285 HD21 LEU 33 3HD2 LEU 33 2.294 -0.747 -8.661 286 HD22 LEU 33 1HD2 LEU 33 1.779 0.940 -8.667 287 HD23 LEU 33 2HD2 LEU 33 3.330 0.498 -7.961 288 H THR 34 H THR 34 5.819 -3.094 -8.135 289 HA THR 34 HA THR 34 6.349 -4.972 -10.230 290 HB THR 34 HB THR 34 8.829 -4.082 -8.756 291 HG1 THR 34 HG1 THR 34 8.981 -2.450 -10.022 292 HG21 THR 34 3HG2 THR 34 8.300 -5.631 -11.310 293 HG22 THR 34 1HG2 THR 34 8.961 -6.267 -9.801 294 HG23 THR 34 2HG2 THR 34 9.901 -5.138 -10.767 295 H GLY 35 H GLY 35 7.268 -6.990 -9.410 296 HA2 GLY 35 1HA GLY 35 7.884 -8.461 -7.657 297 HA3 GLY 35 2HA GLY 35 7.122 -7.385 -6.489 298 H SER 36 H SER 36 6.847 -10.334 -7.624 299 HA SER 36 HA SER 36 4.138 -10.569 -8.464 300 HB2 SER 36 1HB SER 36 4.466 -12.979 -8.010 301 HB3 SER 36 2HB SER 36 5.791 -12.297 -8.949 302 HG SER 36 HG SER 36 7.072 -12.831 -7.381 303 H ALA 37 H ALA 37 5.737 -10.765 -5.301 304 HA ALA 37 HA ALA 37 3.252 -10.185 -3.968 305 HB1 ALA 37 3HB ALA 37 2.943 -12.200 -2.772 306 HB2 ALA 37 1HB ALA 37 4.490 -12.853 -3.312 307 HB3 ALA 37 2HB ALA 37 3.164 -12.673 -4.453 308 H ASN 38 H ASN 38 5.819 -12.085 -2.474 309 HA ASN 38 HA ASN 38 6.228 -10.220 -0.404 310 HB2 ASN 38 1HB ASN 38 6.674 -12.585 -0.100 311 HB3 ASN 38 2HB ASN 38 8.020 -12.491 -1.238 312 HD21 ASN 38 2HD2 ASN 38 6.842 -10.976 1.797 313 HD22 ASN 38 1HD2 ASN 38 8.383 -10.716 2.459 314 H LYS 39 H LYS 39 7.850 -10.627 -3.468 315 HA LYS 39 HA LYS 39 10.242 -9.323 -2.994 316 HB2 LYS 39 1HB LYS 39 9.336 -10.442 -5.134 317 HB3 LYS 39 2HB LYS 39 8.650 -8.864 -5.506 318 HG2 LYS 39 1HG LYS 39 10.847 -7.828 -5.428 319 HG3 LYS 39 2HG LYS 39 11.583 -9.339 -4.892 320 HD2 LYS 39 1HD LYS 39 10.879 -10.427 -6.982 321 HD3 LYS 39 2HD LYS 39 10.162 -8.917 -7.529 322 HE2 LYS 39 1HE LYS 39 12.369 -7.830 -7.482 323 HE3 LYS 39 2HE LYS 39 13.098 -9.321 -6.886 324 HZ1 LYS 39 3HZ LYS 39 11.623 -9.992 -9.131 325 HZ2 LYS 39 1HZ LYS 39 13.307 -9.973 -8.977 326 HZ3 LYS 39 2HZ LYS 39 12.493 -8.594 -9.545 327 H ALA 40 H ALA 40 7.016 -7.959 -3.477 328 HA ALA 40 HA ALA 40 7.898 -5.221 -3.652 329 HB1 ALA 40 3HB ALA 40 5.580 -4.648 -3.479 330 HB2 ALA 40 1HB ALA 40 5.183 -6.236 -2.816 331 HB3 ALA 40 2HB ALA 40 5.704 -6.085 -4.493 332 H SER 41 H SER 41 6.933 -3.582 -1.922 333 HA SER 41 HA SER 41 7.935 -4.546 0.706 334 HB2 SER 41 1HB SER 41 8.913 -2.494 -0.417 335 HB3 SER 41 2HB SER 41 7.360 -1.713 -0.156 336 HG SER 41 HG SER 41 8.823 -1.306 1.544 337 H LEU 42 H LEU 42 5.638 -2.005 -0.135 338 HA LEU 42 HA LEU 42 3.646 -3.214 1.700 339 HB2 LEU 42 1HB LEU 42 4.502 -0.383 1.205 340 HB3 LEU 42 2HB LEU 42 2.854 -0.699 1.732 341 HG LEU 42 HG LEU 42 3.628 -1.802 3.741 342 HD11 LEU 42 1HD1 LEU 42 6.297 -1.656 2.377 343 HD12 LEU 42 2HD1 LEU 42 5.564 -2.991 3.258 344 HD13 LEU 42 3HD1 LEU 42 6.238 -1.624 4.138 345 HD21 LEU 42 3HD2 LEU 42 3.698 0.838 3.421 346 HD22 LEU 42 1HD2 LEU 42 5.434 0.600 3.627 347 HD23 LEU 42 2HD2 LEU 42 4.318 0.101 4.895 348 H CYS 43 H CYS 43 1.883 -3.892 0.740 349 HA CYS 43 HA CYS 43 1.352 -3.283 -2.043 350 HB2 CYS 43 1HB CYS 43 1.016 -5.569 -1.086 351 HB3 CYS 43 2HB CYS 43 -0.305 -4.921 -0.115 352 HG CYS 43 HG CYS 43 -0.379 -4.782 -3.237 353 H ILE 44 H ILE 44 -0.386 -2.147 -2.865 354 HA ILE 44 HA ILE 44 -1.640 -0.262 -1.003 355 HB ILE 44 HB ILE 44 -1.624 -0.454 -4.020 356 HG12 ILE 44 1HG1 ILE 44 0.501 0.203 -2.585 357 HG13 ILE 44 2HG1 ILE 44 0.080 1.151 -4.004 358 HG21 ILE 44 1HG2 ILE 44 -2.924 1.506 -2.118 359 HG22 ILE 44 2HG2 ILE 44 -3.662 0.614 -3.446 360 HG23 ILE 44 3HG2 ILE 44 -2.546 1.938 -3.784 361 HD11 ILE 44 3HD1 ILE 44 -0.533 2.983 -2.759 362 HD12 ILE 44 1HD1 ILE 44 0.620 2.279 -1.635 363 HD13 ILE 44 2HD1 ILE 44 -1.106 2.022 -1.394 364 H SER 45 H SER 45 -3.396 -1.000 -0.027 365 HA SER 45 HA SER 45 -5.653 -1.896 -1.635 366 HB2 SER 45 1HB SER 45 -4.176 -3.917 -0.959 367 HB3 SER 45 2HB SER 45 -4.836 -3.666 0.654 368 HG SER 45 HG SER 45 -5.969 -4.836 -1.454 369 H THR 46 H THR 46 -7.581 -1.381 -0.720 370 HA THR 46 HA THR 46 -7.532 0.305 1.642 371 HB THR 46 HB THR 46 -9.839 0.804 1.104 372 HG1 THR 46 HG1 THR 46 -10.617 -1.147 0.459 373 HG21 THR 46 3HG2 THR 46 -9.483 1.916 -0.941 374 HG22 THR 46 1HG2 THR 46 -8.417 0.646 -1.549 375 HG23 THR 46 2HG2 THR 46 -7.863 1.731 -0.274 376 H LYS 47 H LYS 47 -9.348 0.018 3.266 377 HA LYS 47 HA LYS 47 -9.040 -2.446 4.588 378 HB2 LYS 47 1HB LYS 47 -9.716 -0.258 5.651 379 HB3 LYS 47 2HB LYS 47 -11.303 -0.462 4.931 380 HG2 LYS 47 1HG LYS 47 -11.614 -1.343 7.065 381 HG3 LYS 47 2HG LYS 47 -11.303 -2.786 6.118 382 HD2 LYS 47 1HD LYS 47 -9.955 -3.081 8.010 383 HD3 LYS 47 2HD LYS 47 -8.827 -2.452 6.829 384 HE2 LYS 47 1HE LYS 47 -8.956 -0.226 7.795 385 HE3 LYS 47 2HE LYS 47 -10.292 -0.702 8.822 386 HZ1 LYS 47 3HZ LYS 47 -8.869 -1.420 10.336 387 HZ2 LYS 47 1HZ LYS 47 -7.588 -0.846 9.384 388 HZ3 LYS 47 2HZ LYS 47 -8.116 -2.452 9.214 389 H LYS 48 H LYS 48 -11.482 -1.173 2.417 390 HA LYS 48 HA LYS 48 -13.443 -3.149 2.722 391 HB2 LYS 48 1HB LYS 48 -12.660 -1.447 0.350 392 HB3 LYS 48 2HB LYS 48 -14.080 -2.496 0.361 393 HG2 LYS 48 1HG LYS 48 -14.966 -1.305 2.318 394 HG3 LYS 48 2HG LYS 48 -13.532 -0.278 2.359 395 HD2 LYS 48 1HD LYS 48 -14.087 0.634 0.160 396 HD3 LYS 48 2HD LYS 48 -15.472 -0.450 0.029 397 HE2 LYS 48 1HE LYS 48 -16.393 1.615 0.769 398 HE3 LYS 48 2HE LYS 48 -16.289 0.632 2.231 399 HZ1 LYS 48 3HZ LYS 48 -14.700 1.930 3.092 400 HZ2 LYS 48 1HZ LYS 48 -15.275 3.097 2.001 401 HZ3 LYS 48 2HZ LYS 48 -13.913 2.160 1.603 402 H GLU 49 H GLU 49 -10.572 -3.043 0.631 403 HA GLU 49 HA GLU 49 -11.141 -5.435 -0.783 404 HB2 GLU 49 1HB GLU 49 -8.538 -4.013 -0.208 405 HB3 GLU 49 2HB GLU 49 -8.682 -5.388 -1.306 406 HG2 GLU 49 1HG GLU 49 -10.374 -4.113 -2.619 407 HG3 GLU 49 2HG GLU 49 -10.123 -2.732 -1.551 408 H VAL 50 H VAL 50 -9.307 -4.753 2.157 409 HA VAL 50 HA VAL 50 -8.236 -7.332 2.573 410 HB VAL 50 HB VAL 50 -8.896 -5.165 4.569 411 HG11 VAL 50 1HG1 VAL 50 -7.121 -6.323 5.939 412 HG12 VAL 50 2HG1 VAL 50 -7.203 -7.658 4.798 413 HG13 VAL 50 3HG1 VAL 50 -8.614 -7.240 5.769 414 HG21 VAL 50 3HG2 VAL 50 -6.633 -4.439 4.277 415 HG22 VAL 50 1HG2 VAL 50 -7.278 -4.660 2.649 416 HG23 VAL 50 2HG2 VAL 50 -6.222 -5.883 3.353 417 H GLU 51 H GLU 51 -11.241 -5.841 3.722 418 HA GLU 51 HA GLU 51 -12.097 -7.741 5.560 419 HB2 GLU 51 1HB GLU 51 -13.620 -5.965 3.640 420 HB3 GLU 51 2HB GLU 51 -14.410 -6.919 4.908 421 HG2 GLU 51 1HG GLU 51 -12.153 -5.005 5.478 422 HG3 GLU 51 2HG GLU 51 -13.837 -4.518 5.573 423 H LYS 52 H LYS 52 -12.112 -7.849 2.095 424 HA LYS 52 HA LYS 52 -14.012 -9.898 1.727 425 HB2 LYS 52 1HB LYS 52 -11.611 -9.291 0.003 426 HB3 LYS 52 2HB LYS 52 -13.151 -9.988 -0.509 427 HG2 LYS 52 1HG LYS 52 -14.232 -7.847 0.426 428 HG3 LYS 52 2HG LYS 52 -12.595 -7.222 0.485 429 HD2 LYS 52 1HD LYS 52 -12.288 -7.578 -1.890 430 HD3 LYS 52 2HD LYS 52 -13.895 -8.295 -2.001 431 HE2 LYS 52 1HE LYS 52 -13.489 -5.513 -0.896 432 HE3 LYS 52 2HE LYS 52 -13.691 -5.812 -2.629 433 HZ1 LYS 52 3HZ LYS 52 -15.704 -7.214 -1.782 434 HZ2 LYS 52 1HZ LYS 52 -15.856 -5.537 -1.991 435 HZ3 LYS 52 2HZ LYS 52 -15.602 -6.180 -0.439 436 H MET 53 H MET 53 -10.501 -9.971 2.154 437 HA MET 53 HA MET 53 -9.037 -11.693 2.571 438 HB2 MET 53 1HB MET 53 -11.548 -12.968 3.697 439 HB3 MET 53 2HB MET 53 -9.923 -13.620 3.891 440 HG2 MET 53 1HG MET 53 -10.495 -10.767 4.673 441 HG3 MET 53 2HG MET 53 -10.910 -12.079 5.770 442 HE1 MET 53 3HE MET 53 -7.993 -9.819 4.446 443 HE2 MET 53 1HE MET 53 -7.214 -9.984 6.025 444 HE3 MET 53 2HE MET 53 -8.924 -9.583 5.921 445 H SER 54 H SER 54 -9.854 -11.474 0.022 446 HA SER 54 HA SER 54 -10.897 -13.918 -1.050 447 HB2 SER 54 1HB SER 54 -10.430 -12.939 -3.216 448 HB3 SER 54 2HB SER 54 -11.127 -11.704 -2.173 449 HG SER 54 HG SER 54 -9.366 -10.616 -2.460 450 H LYS 55 H LYS 55 -9.559 -14.966 -2.914 451 HA LYS 55 HA LYS 55 -7.386 -16.343 -1.775 452 HB2 LYS 55 1HB LYS 55 -8.790 -17.189 -3.639 453 HB3 LYS 55 2HB LYS 55 -8.066 -15.987 -4.704 454 HG2 LYS 55 1HG LYS 55 -5.861 -16.990 -4.403 455 HG3 LYS 55 2HG LYS 55 -6.510 -18.127 -3.220 456 HD2 LYS 55 1HD LYS 55 -8.013 -19.058 -4.935 457 HD3 LYS 55 2HD LYS 55 -7.362 -17.936 -6.128 458 HE2 LYS 55 1HE LYS 55 -5.139 -18.944 -5.894 459 HE3 LYS 55 2HE LYS 55 -5.740 -20.031 -4.642 460 HZ1 LYS 55 3HZ LYS 55 -7.318 -20.104 -7.034 461 HZ2 LYS 55 1HZ LYS 55 -6.624 -21.378 -6.161 462 HZ3 LYS 55 2HZ LYS 55 -5.699 -20.537 -7.315 463 H LYS 56 H LYS 56 -7.565 -13.516 -3.862 464 HA LYS 56 HA LYS 56 -4.809 -13.216 -4.421 465 HB2 LYS 56 1HB LYS 56 -6.991 -11.122 -4.238 466 HB3 LYS 56 2HB LYS 56 -5.410 -10.891 -4.980 467 HG2 LYS 56 1HG LYS 56 -7.315 -13.056 -5.887 468 HG3 LYS 56 2HG LYS 56 -7.338 -11.440 -6.583 469 HD2 LYS 56 1HD LYS 56 -4.960 -11.709 -7.246 470 HD3 LYS 56 2HD LYS 56 -4.964 -13.341 -6.590 471 HE2 LYS 56 1HE LYS 56 -5.378 -13.580 -8.930 472 HE3 LYS 56 2HE LYS 56 -6.915 -13.850 -8.111 473 HZ1 LYS 56 3HZ LYS 56 -6.353 -11.097 -8.816 474 HZ2 LYS 56 1HZ LYS 56 -7.796 -11.983 -8.945 475 HZ3 LYS 56 2HZ LYS 56 -6.592 -12.140 -10.135 476 H MET 57 H MET 57 -6.868 -12.047 -1.796 477 HA MET 57 HA MET 57 -4.952 -10.405 -0.531 478 HB2 MET 57 1HB MET 57 -7.607 -11.031 -0.111 479 HB3 MET 57 2HB MET 57 -6.848 -11.828 1.255 480 HG2 MET 57 1HG MET 57 -6.664 -8.894 0.509 481 HG3 MET 57 2HG MET 57 -7.431 -9.590 1.932 482 HE1 MET 57 3HE MET 57 -4.781 -11.811 2.995 483 HE2 MET 57 1HE MET 57 -6.376 -11.152 3.378 484 HE3 MET 57 2HE MET 57 -4.969 -10.638 4.294 485 H GLU 58 H GLU 58 -5.700 -13.842 -0.225 486 HA GLU 58 HA GLU 58 -4.101 -14.450 2.013 487 HB2 GLU 58 1HB GLU 58 -4.865 -16.132 -0.392 488 HB3 GLU 58 2HB GLU 58 -4.106 -16.772 1.065 489 HG2 GLU 58 1HG GLU 58 -5.974 -15.980 2.428 490 HG3 GLU 58 2HG GLU 58 -6.730 -15.259 1.008 491 H GLU 59 H GLU 59 -3.258 -14.004 -1.388 492 HA GLU 59 HA GLU 59 -0.688 -15.206 -1.229 493 HB2 GLU 59 1HB GLU 59 -1.287 -12.889 -3.062 494 HB3 GLU 59 2HB GLU 59 -0.278 -14.308 -3.355 495 HG2 GLU 59 1HG GLU 59 -2.350 -15.718 -3.250 496 HG3 GLU 59 2HG GLU 59 -3.268 -14.240 -3.143 497 H VAL 60 H VAL 60 -1.821 -11.858 -0.868 498 HA VAL 60 HA VAL 60 0.718 -10.696 -0.423 499 HB VAL 60 HB VAL 60 -2.046 -9.842 0.501 500 HG11 VAL 60 1HG1 VAL 60 -0.034 -8.697 1.635 501 HG12 VAL 60 2HG1 VAL 60 -1.196 -7.650 0.828 502 HG13 VAL 60 3HG1 VAL 60 0.330 -8.038 0.042 503 HG21 VAL 60 3HG2 VAL 60 -2.088 -10.015 -1.864 504 HG22 VAL 60 1HG2 VAL 60 -0.449 -9.371 -2.019 505 HG23 VAL 60 2HG2 VAL 60 -1.773 -8.309 -1.542 506 H LYS 61 H LYS 61 -1.796 -11.886 1.772 507 HA LYS 61 HA LYS 61 -0.492 -11.289 4.201 508 HB2 LYS 61 1HB LYS 61 -2.816 -11.647 4.297 509 HB3 LYS 61 2HB LYS 61 -2.722 -13.137 3.368 510 HG2 LYS 61 1HG LYS 61 -1.254 -13.143 5.974 511 HG3 LYS 61 2HG LYS 61 -3.009 -13.082 6.083 512 HD2 LYS 61 1HD LYS 61 -3.207 -15.088 4.689 513 HD3 LYS 61 2HD LYS 61 -1.464 -15.151 4.488 514 HE2 LYS 61 1HE LYS 61 -1.172 -15.425 6.889 515 HE3 LYS 61 2HE LYS 61 -2.915 -15.364 7.134 516 HZ1 LYS 61 3HZ LYS 61 -1.309 -17.436 5.765 517 HZ2 LYS 61 1HZ LYS 61 -2.976 -17.293 5.491 518 HZ3 LYS 61 2HZ LYS 61 -2.400 -17.624 7.054 519 H ALA 62 H ALA 62 -0.554 -14.264 2.249 520 HA ALA 62 HA ALA 62 1.145 -15.705 4.082 521 HB1 ALA 62 3HB ALA 62 -0.442 -16.954 2.740 522 HB2 ALA 62 1HB ALA 62 1.194 -17.417 2.270 523 HB3 ALA 62 2HB ALA 62 0.262 -16.318 1.252 524 H ALA 63 H ALA 63 1.647 -13.361 1.749 525 HA ALA 63 HA ALA 63 4.360 -14.246 1.053 526 HB1 ALA 63 3HB ALA 63 3.104 -13.429 -0.810 527 HB2 ALA 63 1HB ALA 63 4.319 -12.217 -0.427 528 HB3 ALA 63 2HB ALA 63 2.642 -11.963 0.061 529 H ASN 64 H ASN 64 2.940 -12.699 3.563 530 HA ASN 64 HA ASN 64 3.684 -11.283 5.202 531 HB2 ASN 64 1HB ASN 64 6.261 -12.328 4.040 532 HB3 ASN 64 2HB ASN 64 6.273 -11.179 5.366 533 HD21 ASN 64 2HD2 ASN 64 3.786 -12.296 6.609 534 HD22 ASN 64 1HD2 ASN 64 4.237 -13.787 7.281 535 H VAL 65 H VAL 65 2.635 -9.857 3.365 536 HA VAL 65 HA VAL 65 4.505 -7.597 2.875 537 HB VAL 65 HB VAL 65 2.231 -8.635 1.176 538 HG11 VAL 65 1HG1 VAL 65 2.985 -6.708 -0.352 539 HG12 VAL 65 2HG1 VAL 65 3.768 -6.045 1.079 540 HG13 VAL 65 3HG1 VAL 65 2.022 -6.273 1.059 541 HG21 VAL 65 3HG2 VAL 65 3.943 -8.966 -0.494 542 HG22 VAL 65 1HG2 VAL 65 4.443 -9.757 0.999 543 HG23 VAL 65 2HG2 VAL 65 5.155 -8.209 0.541 544 H ARG 66 H ARG 66 3.966 -5.971 4.197 545 HA ARG 66 HA ARG 66 1.462 -5.796 5.539 546 HB2 ARG 66 1HB ARG 66 3.455 -4.796 6.512 547 HB3 ARG 66 2HB ARG 66 3.633 -3.718 5.133 548 HG2 ARG 66 1HG ARG 66 1.586 -2.557 5.684 549 HG3 ARG 66 2HG ARG 66 1.196 -3.745 6.931 550 HD2 ARG 66 1HD ARG 66 2.159 -1.721 7.969 551 HD3 ARG 66 2HD ARG 66 3.242 -3.094 8.170 552 HE ARG 66 HE ARG 66 3.886 -1.625 5.807 553 HH11 ARG 66 1HH2 ARG 66 4.008 -1.584 9.251 554 HH12 ARG 66 2HH2 ARG 66 5.481 -0.678 9.343 555 HH21 ARG 66 1HH1 ARG 66 5.813 -0.413 5.890 556 HH22 ARG 66 2HH1 ARG 66 6.492 0.017 7.424 557 H VAL 67 H VAL 67 -0.144 -4.090 5.281 558 HA VAL 67 HA VAL 67 -0.488 -3.335 2.430 559 HB VAL 67 HB VAL 67 -2.491 -3.887 4.628 560 HG11 VAL 67 1HG1 VAL 67 -4.210 -3.512 2.887 561 HG12 VAL 67 2HG1 VAL 67 -2.954 -2.959 1.778 562 HG13 VAL 67 3HG1 VAL 67 -3.320 -2.035 3.234 563 HG21 VAL 67 3HG2 VAL 67 -1.749 -5.270 2.038 564 HG22 VAL 67 1HG2 VAL 67 -3.192 -5.668 2.965 565 HG23 VAL 67 2HG2 VAL 67 -1.594 -5.907 3.675 566 H VAL 68 H VAL 68 -0.662 -1.263 1.897 567 HA VAL 68 HA VAL 68 -0.959 0.773 4.046 568 HB VAL 68 HB VAL 68 1.353 0.679 3.160 569 HG11 VAL 68 1HG1 VAL 68 1.800 1.227 0.832 570 HG12 VAL 68 2HG1 VAL 68 0.082 1.453 0.517 571 HG13 VAL 68 3HG1 VAL 68 0.708 -0.154 0.882 572 HG21 VAL 68 3HG2 VAL 68 1.546 3.047 2.664 573 HG22 VAL 68 1HG2 VAL 68 0.282 2.833 3.875 574 HG23 VAL 68 2HG2 VAL 68 -0.151 3.119 2.188 575 H CYS 69 H CYS 69 -2.502 2.280 3.721 576 HA CYS 69 HA CYS 69 -4.311 1.933 1.509 577 HB2 CYS 69 1HB CYS 69 -5.795 3.222 2.744 578 HB3 CYS 69 2HB CYS 69 -4.765 2.586 4.024 579 HG CYS 69 HG CYS 69 -3.834 4.868 4.439 580 H GLU 70 H GLU 70 -5.048 3.711 0.120 581 HA GLU 70 HA GLU 70 -2.902 4.923 -1.257 582 HB2 GLU 70 1HB GLU 70 -5.862 5.542 -1.399 583 HB3 GLU 70 2HB GLU 70 -4.639 6.172 -2.501 584 HG2 GLU 70 1HG GLU 70 -5.526 4.264 -3.597 585 HG3 GLU 70 2HG GLU 70 -3.978 3.731 -2.945 586 H ASP 71 H ASP 71 -5.018 6.233 1.263 587 HA ASP 71 HA ASP 71 -4.409 8.958 0.891 588 HB2 ASP 71 1HB ASP 71 -5.078 7.429 3.409 589 HB3 ASP 71 2HB ASP 71 -4.930 9.181 3.346 590 H PHE 72 H PHE 72 -2.489 6.355 1.867 591 HA PHE 72 HA PHE 72 -0.566 7.569 3.539 592 HB2 PHE 72 1HB PHE 72 -0.818 5.117 3.087 593 HB3 PHE 72 2HB PHE 72 -0.105 5.385 1.496 594 HD1 PHE 72 HD1 PHE 72 2.227 6.426 1.359 595 HD2 PHE 72 HD2 PHE 72 0.523 4.911 5.009 596 HE1 PHE 72 HE1 PHE 72 4.489 6.253 2.350 597 HE2 PHE 72 HE2 PHE 72 2.790 4.789 6.013 598 HZ PHE 72 HZ PHE 72 4.772 5.465 4.682 599 H LEU 73 H LEU 73 -0.879 7.268 0.043 600 HA LEU 73 HA LEU 73 1.593 8.354 -0.731 601 HB2 LEU 73 1HB LEU 73 -1.115 8.384 -2.091 602 HB3 LEU 73 2HB LEU 73 0.396 8.821 -2.887 603 HG LEU 73 HG LEU 73 -0.074 6.150 -1.530 604 HD11 LEU 73 1HD1 LEU 73 -0.337 5.280 -3.869 605 HD12 LEU 73 2HD1 LEU 73 -0.360 6.947 -4.442 606 HD13 LEU 73 3HD1 LEU 73 -1.644 6.366 -3.384 607 HD21 LEU 73 3HD2 LEU 73 2.118 7.318 -3.252 608 HD22 LEU 73 1HD2 LEU 73 1.849 5.575 -3.221 609 HD23 LEU 73 2HD2 LEU 73 2.256 6.428 -1.737 610 H GLN 74 H GLN 74 -1.541 9.896 -0.110 611 HA GLN 74 HA GLN 74 -0.748 12.513 -0.871 612 HB2 GLN 74 1HB GLN 74 -2.924 11.631 1.045 613 HB3 GLN 74 2HB GLN 74 -2.765 13.243 0.349 614 HG2 GLN 74 1HG GLN 74 -3.154 10.684 -1.232 615 HG3 GLN 74 2HG GLN 74 -4.405 11.875 -0.890 616 HE21 GLN 74 2HE2 GLN 74 -2.252 10.944 -3.243 617 HE22 GLN 74 1HE2 GLN 74 -2.063 12.419 -4.059 618 H ASP 75 H ASP 75 -0.767 10.807 2.213 619 HA ASP 75 HA ASP 75 -0.174 12.984 3.887 620 HB2 ASP 75 1HB ASP 75 0.358 10.033 4.140 621 HB3 ASP 75 2HB ASP 75 0.700 11.173 5.440 622 H VAL 76 H VAL 76 2.027 10.597 2.398 623 HA VAL 76 HA VAL 76 4.358 11.779 3.523 624 HB VAL 76 HB VAL 76 5.609 10.401 1.908 625 HG11 VAL 76 1HG1 VAL 76 5.079 8.364 2.929 626 HG12 VAL 76 2HG1 VAL 76 3.348 8.703 2.950 627 HG13 VAL 76 3HG1 VAL 76 4.425 9.524 4.075 628 HG21 VAL 76 3HG2 VAL 76 2.830 9.863 0.822 629 HG22 VAL 76 1HG2 VAL 76 4.237 8.871 0.433 630 HG23 VAL 76 2HG2 VAL 76 4.196 10.568 -0.045 631 H SER 77 H SER 77 2.641 12.171 0.490 632 HA SER 77 HA SER 77 4.599 13.713 -0.824 633 HB2 SER 77 1HB SER 77 2.797 14.444 -2.293 634 HB3 SER 77 2HB SER 77 2.633 12.726 -1.954 635 HG SER 77 HG SER 77 1.165 14.914 -0.954 636 H ALA 78 H ALA 78 1.999 14.608 1.384 637 HA ALA 78 HA ALA 78 2.831 17.445 1.253 638 HB1 ALA 78 3HB ALA 78 0.426 16.814 0.876 639 HB2 ALA 78 1HB ALA 78 0.676 17.963 2.190 640 HB3 ALA 78 2HB ALA 78 0.375 16.264 2.550 641 H SER 79 H SER 79 1.564 15.287 3.792 642 HA SER 79 HA SER 79 2.540 16.804 5.931 643 HB2 SER 79 1HB SER 79 2.050 13.837 6.094 644 HB3 SER 79 2HB SER 79 1.812 15.064 7.332 645 HG SER 79 HG SER 79 0.457 15.221 4.872 646 H ALA 80 H ALA 80 3.992 14.005 4.295 647 HA ALA 80 HA ALA 80 6.092 13.077 4.420 648 HB1 ALA 80 3HB ALA 80 6.578 15.287 3.420 649 HB2 ALA 80 1HB ALA 80 7.919 14.699 4.406 650 HB3 ALA 80 2HB ALA 80 6.836 15.938 5.040 651 H LYS 81 H LYS 81 4.672 12.767 6.857 652 HA LYS 81 HA LYS 81 6.380 13.511 9.065 653 HB2 LYS 81 1HB LYS 81 4.067 11.577 8.915 654 HB3 LYS 81 2HB LYS 81 4.838 12.124 10.403 655 HG2 LYS 81 1HG LYS 81 4.304 14.456 9.793 656 HG3 LYS 81 2HG LYS 81 3.454 13.858 8.387 657 HD2 LYS 81 1HD LYS 81 2.751 13.044 11.210 658 HD3 LYS 81 2HD LYS 81 1.953 14.362 10.357 659 HE2 LYS 81 1HE LYS 81 1.462 12.652 8.502 660 HE3 LYS 81 2HE LYS 81 1.915 11.417 9.675 661 HZ1 LYS 81 3HZ LYS 81 -0.154 13.488 10.149 662 HZ2 LYS 81 1HZ LYS 81 0.223 12.175 11.157 663 HZ3 LYS 81 2HZ LYS 81 -0.483 11.902 9.635 664 H SER 82 H SER 82 6.412 11.404 10.633 665 HA SER 82 HA SER 82 8.617 9.821 9.668 666 HB2 SER 82 1HB SER 82 6.983 9.862 12.203 667 HB3 SER 82 2HB SER 82 8.210 8.632 11.926 668 HG SER 82 HG SER 82 8.946 10.554 13.039 669 H LEU 83 H LEU 83 8.651 7.666 9.138 670 HA LEU 83 HA LEU 83 6.390 6.583 7.857 671 HB2 LEU 83 1HB LEU 83 8.951 5.299 8.809 672 HB3 LEU 83 2HB LEU 83 7.754 4.488 7.818 673 HG LEU 83 HG LEU 83 8.033 6.615 6.245 674 HD11 LEU 83 1HD1 LEU 83 10.577 6.590 7.889 675 HD12 LEU 83 2HD1 LEU 83 9.509 7.953 7.563 676 HD13 LEU 83 3HD1 LEU 83 10.501 7.282 6.270 677 HD21 LEU 83 3HD2 LEU 83 9.949 5.400 5.108 678 HD22 LEU 83 1HD2 LEU 83 8.526 4.422 5.461 679 HD23 LEU 83 2HD2 LEU 83 9.957 4.295 6.485 680 H GLN 84 H GLN 84 7.847 5.885 11.032 681 HA GLN 84 HA GLN 84 6.257 3.674 11.679 682 HB2 GLN 84 1HB GLN 84 7.472 5.732 13.537 683 HB3 GLN 84 2HB GLN 84 6.899 4.131 14.010 684 HG2 GLN 84 1HG GLN 84 9.072 4.664 11.967 685 HG3 GLN 84 2HG GLN 84 9.358 4.179 13.635 686 HE21 GLN 84 2HE2 GLN 84 9.084 2.934 10.528 687 HE22 GLN 84 1HE2 GLN 84 8.672 1.335 10.928 688 H GLU 85 H GLU 85 5.707 7.124 12.361 689 HA GLU 85 HA GLU 85 3.284 6.695 13.790 690 HB2 GLU 85 1HB GLU 85 4.610 8.783 13.941 691 HB3 GLU 85 2HB GLU 85 4.205 9.143 12.264 692 HG2 GLU 85 1HG GLU 85 1.828 9.242 12.817 693 HG3 GLU 85 2HG GLU 85 2.174 8.775 14.484 694 H LEU 86 H LEU 86 4.095 7.261 10.418 695 HA LEU 86 HA LEU 86 1.483 7.639 9.453 696 HB2 LEU 86 1HB LEU 86 4.066 6.753 8.192 697 HB3 LEU 86 2HB LEU 86 2.589 6.851 7.242 698 HG LEU 86 HG LEU 86 3.596 9.173 8.911 699 HD11 LEU 86 1HD1 LEU 86 5.371 8.747 7.383 700 HD12 LEU 86 2HD1 LEU 86 4.428 10.058 6.676 701 HD13 LEU 86 3HD1 LEU 86 4.251 8.411 6.065 702 HD21 LEU 86 3HD2 LEU 86 2.239 10.411 7.072 703 HD22 LEU 86 1HD2 LEU 86 1.323 9.537 8.295 704 HD23 LEU 86 2HD2 LEU 86 1.552 8.832 6.698 705 H LEU 87 H LEU 87 3.399 4.643 9.776 706 HA LEU 87 HA LEU 87 1.230 3.095 8.626 707 HB2 LEU 87 1HB LEU 87 2.642 1.118 9.143 708 HB3 LEU 87 2HB LEU 87 3.456 2.319 8.152 709 HG LEU 87 HG LEU 87 4.245 3.198 10.585 710 HD11 LEU 87 1HD1 LEU 87 3.115 1.496 11.898 711 HD12 LEU 87 2HD1 LEU 87 4.848 1.208 11.979 712 HD13 LEU 87 3HD1 LEU 87 3.837 0.215 10.930 713 HD21 LEU 87 3HD2 LEU 87 5.949 2.805 9.056 714 HD22 LEU 87 1HD2 LEU 87 5.420 1.160 8.726 715 HD23 LEU 87 2HD2 LEU 87 6.273 1.526 10.224 716 H SER 88 H SER 88 1.905 4.378 11.654 717 HA SER 88 HA SER 88 0.969 2.315 13.345 718 HB2 SER 88 1HB SER 88 0.885 5.314 13.695 719 HB3 SER 88 2HB SER 88 0.467 4.160 14.952 720 HG SER 88 HG SER 88 2.518 3.939 15.303 721 H ALA 89 H ALA 89 -0.684 4.936 11.619 722 HA ALA 89 HA ALA 89 -3.296 3.822 12.490 723 HB1 ALA 89 3HB ALA 89 -2.468 6.550 11.508 724 HB2 ALA 89 1HB ALA 89 -3.100 6.109 13.095 725 HB3 ALA 89 2HB ALA 89 -4.154 6.068 11.682 726 H HIS 90 H HIS 90 -1.363 4.514 9.634 727 HA HIS 90 HA HIS 90 -3.577 4.158 7.807 728 HB2 HIS 90 1HB HIS 90 -0.605 4.182 7.301 729 HB3 HIS 90 2HB HIS 90 -1.856 4.241 6.061 730 HD1 HIS 90 HD1 HIS 90 -3.824 6.177 7.446 731 HD2 HIS 90 HD2 HIS 90 0.275 6.874 7.165 732 HE1 HIS 90 HE1 HIS 90 -3.511 8.677 7.660 733 HE2 HIS 90 HE2 HIS 90 -1.022 9.122 7.496 734 H SER 91 H SER 91 -1.300 2.072 9.372 735 HA SER 91 HA SER 91 -1.175 0.009 7.494 736 HB2 SER 91 1HB SER 91 0.345 -0.040 9.329 737 HB3 SER 91 2HB SER 91 -0.976 -0.046 10.494 738 HG SER 91 HG SER 91 0.052 -2.077 8.907 739 H LEU 92 H LEU 92 -2.607 -1.199 6.795 740 HA LEU 92 HA LEU 92 -5.214 -1.554 8.130 741 HB2 LEU 92 1HB LEU 92 -4.258 -2.154 5.325 742 HB3 LEU 92 2HB LEU 92 -5.889 -2.480 5.902 743 HG LEU 92 HG LEU 92 -4.648 0.273 6.075 744 HD11 LEU 92 1HD1 LEU 92 -6.086 -1.062 3.765 745 HD12 LEU 92 2HD1 LEU 92 -4.577 -0.150 3.733 746 HD13 LEU 92 3HD1 LEU 92 -6.110 0.688 3.964 747 HD21 LEU 92 3HD2 LEU 92 -7.093 0.926 5.981 748 HD22 LEU 92 1HD2 LEU 92 -6.661 0.009 7.418 749 HD23 LEU 92 2HD2 LEU 92 -7.492 -0.783 6.081 750 H SER 93 H SER 93 -2.314 -3.040 8.167 751 HA SER 93 HA SER 93 -3.519 -5.637 8.822 752 HB2 SER 93 1HB SER 93 -1.772 -6.774 7.410 753 HB3 SER 93 2HB SER 93 -3.013 -5.935 6.490 754 HG SER 93 HG SER 93 -1.313 -4.109 6.811 755 H SER 94 H SER 94 -1.990 -7.064 9.953 756 HA SER 94 HA SER 94 0.135 -5.522 11.347 757 HB2 SER 94 1HB SER 94 -1.595 -5.993 12.901 758 HB3 SER 94 2HB SER 94 -1.738 -7.662 12.361 759 HG SER 94 HG SER 94 -0.179 -8.143 13.684 760 H TRP 95 H TRP 95 0.607 -6.901 8.925 761 HA TRP 95 HA TRP 95 2.637 -8.815 9.844 762 HB2 TRP 95 1HB TRP 95 2.035 -10.499 8.261 763 HB3 TRP 95 2HB TRP 95 0.565 -10.076 9.131 764 HD1 TRP 95 HD1 TRP 95 2.339 -9.181 5.826 765 HE1 TRP 95 HE1 TRP 95 0.519 -8.646 4.078 766 HE3 TRP 95 HE3 TRP 95 -1.819 -9.585 8.743 767 HZ2 TRP 95 HZ2 TRP 95 -2.339 -8.435 3.935 768 HZ3 TRP 95 HZ3 TRP 95 -4.073 -9.213 7.788 769 HH2 TRP 95 HH2 TRP 95 -4.338 -8.636 5.395 770 H GLY 96 H GLY 96 4.244 -9.251 8.121 771 HA2 GLY 96 1HA GLY 96 4.703 -8.229 5.720 772 HA3 GLY 96 2HA GLY 96 4.848 -6.769 6.692 773 H ALA 97 H ALA 97 5.886 -10.145 7.072 774 HA ALA 97 HA ALA 97 7.988 -11.064 7.301 775 HB1 ALA 97 3HB ALA 97 8.609 -9.042 5.727 776 HB2 ALA 97 1HB ALA 97 9.887 -9.906 6.581 777 HB3 ALA 97 2HB ALA 97 9.305 -8.361 7.192 778 H GLU 98 H GLU 98 6.840 -11.204 9.457 779 HA GLU 98 HA GLU 98 6.886 -11.111 11.753 780 HB2 GLU 98 1HB GLU 98 9.798 -10.524 11.152 781 HB3 GLU 98 2HB GLU 98 9.172 -10.932 12.749 782 HG2 GLU 98 1HG GLU 98 8.886 -12.686 10.291 783 HG3 GLU 98 2HG GLU 98 10.107 -12.913 11.542 784 H VAL 99 H VAL 99 7.322 -9.668 13.674 785 HA VAL 99 HA VAL 99 7.290 -6.797 12.888 786 HB VAL 99 HB VAL 99 5.699 -8.176 15.065 787 HG11 VAL 99 1HG1 VAL 99 4.624 -5.906 15.248 788 HG12 VAL 99 2HG1 VAL 99 5.867 -5.286 14.160 789 HG13 VAL 99 3HG1 VAL 99 6.315 -5.919 15.742 790 HG21 VAL 99 3HG2 VAL 99 4.924 -8.569 12.703 791 HG22 VAL 99 1HG2 VAL 99 4.784 -6.820 12.513 792 HG23 VAL 99 2HG2 VAL 99 3.765 -7.663 13.677 793 H LYS 100 H LYS 100 8.775 -5.595 13.795 794 HA LYS 100 HA LYS 100 10.290 -6.625 16.125 795 HB2 LYS 100 1HB LYS 100 11.057 -4.485 14.117 796 HB3 LYS 100 2HB LYS 100 12.079 -5.143 15.391 797 HG2 LYS 100 1HG LYS 100 12.784 -6.751 13.938 798 HG3 LYS 100 2HG LYS 100 11.154 -7.415 13.936 799 HD2 LYS 100 1HD LYS 100 10.571 -5.765 12.118 800 HD3 LYS 100 2HD LYS 100 12.277 -5.324 12.052 801 HE2 LYS 100 1HE LYS 100 12.889 -7.622 11.493 802 HE3 LYS 100 2HE LYS 100 11.212 -8.136 11.663 803 HZ1 LYS 100 3HZ LYS 100 10.731 -7.412 9.637 804 HZ2 LYS 100 1HZ LYS 100 12.398 -7.257 9.369 805 HZ3 LYS 100 2HZ LYS 100 11.496 -5.913 9.887 806 H HIS 101 H HIS 101 8.857 -3.716 14.713 807 HA HIS 101 HA HIS 101 9.146 -2.134 17.113 808 HB2 HIS 101 1HB HIS 101 9.191 -1.122 14.864 809 HB3 HIS 101 2HB HIS 101 7.531 -1.655 14.599 810 HD1 HIS 101 HD1 HIS 101 5.715 -0.144 15.404 811 HD2 HIS 101 HD2 HIS 101 9.382 0.792 17.158 812 HE1 HIS 101 HE1 HIS 101 5.349 1.972 16.753 813 HE2 HIS 101 HE2 HIS 101 7.580 2.561 17.814 814 H HIS 102 H HIS 102 7.867 -4.445 17.849 815 HA HIS 102 HA HIS 102 5.103 -4.568 17.677 816 HB2 HIS 102 1HB HIS 102 6.584 -6.286 18.721 817 HB3 HIS 102 2HB HIS 102 6.749 -5.232 20.128 818 HD1 HIS 102 HD1 HIS 102 4.852 -5.251 21.815 819 HD2 HIS 102 HD2 HIS 102 3.835 -7.192 18.270 820 HE1 HIS 102 HE1 HIS 102 2.592 -6.312 22.209 821 HE2 HIS 102 HE2 HIS 102 1.954 -7.502 20.058 822 H HIS 103 H HIS 103 3.725 -2.985 18.024 823 HA HIS 103 HA HIS 103 3.664 -1.639 20.617 824 HB2 HIS 103 1HB HIS 103 5.075 -0.212 19.078 825 HB3 HIS 103 2HB HIS 103 3.646 -0.022 18.062 826 HD1 HIS 103 HD1 HIS 103 1.710 1.438 18.967 827 HD2 HIS 103 HD2 HIS 103 4.922 1.120 21.606 828 HE1 HIS 103 HE1 HIS 103 1.355 3.207 20.741 829 HE2 HIS 103 HE2 HIS 103 3.302 3.029 22.361 830 H HIS 104 H HIS 104 2.181 -3.270 18.233 831 HA HIS 104 HA HIS 104 -0.250 -1.966 17.734 832 HB2 HIS 104 1HB HIS 104 0.558 -3.979 16.536 833 HB3 HIS 104 2HB HIS 104 0.291 -4.933 17.992 834 HD1 HIS 104 HD1 HIS 104 -2.465 -3.046 18.457 835 HD2 HIS 104 HD2 HIS 104 -1.515 -5.638 15.336 836 HE1 HIS 104 HE1 HIS 104 -4.662 -3.723 17.398 837 HE2 HIS 104 HE2 HIS 104 -4.103 -5.313 15.499 838 H HIS 105 H HIS 105 0.647 -4.282 20.289 839 HA HIS 105 HA HIS 105 -1.833 -3.574 21.768 840 HB2 HIS 105 1HB HIS 105 -0.121 -6.064 21.903 841 HB3 HIS 105 2HB HIS 105 -1.539 -5.752 22.908 842 HD1 HIS 105 HD1 HIS 105 -3.854 -5.374 21.513 843 HD2 HIS 105 HD2 HIS 105 -0.713 -7.140 19.418 844 HE1 HIS 105 HE1 HIS 105 -4.866 -6.386 19.423 845 HE2 HIS 105 HE2 HIS 105 -2.956 -7.433 18.116 846 H HIS 106 H HIS 106 -1.667 -2.788 23.814 847 HA HIS 106 HA HIS 106 0.635 -3.095 25.460 848 HB2 HIS 106 1HB HIS 106 1.509 -0.847 25.421 849 HB3 HIS 106 2HB HIS 106 1.521 -1.473 23.774 850 HD1 HIS 106 HD1 HIS 106 -0.086 1.090 25.962 851 HD2 HIS 106 HD2 HIS 106 -0.480 -0.298 22.049 852 HE1 HIS 106 HE1 HIS 106 -1.618 2.718 24.774 853 HE2 HIS 106 HE2 HIS 106 -1.816 1.924 22.375 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.224 12.862 3.798 2 H2 MET 1 2H MET 1 10.057 12.229 2.737 3 H3 MET 1 3H MET 1 10.237 13.911 2.904 4 HA MET 1 HA MET 1 11.351 13.534 0.936 5 HB2 MET 1 1HB MET 1 13.329 13.246 3.215 6 HB3 MET 1 2HB MET 1 13.803 13.563 1.547 7 HG2 MET 1 1HG MET 1 12.539 15.650 1.543 8 HG3 MET 1 2HG MET 1 11.938 15.322 3.171 9 HE1 MET 1 3HE MET 1 12.676 17.742 3.165 10 HE2 MET 1 1HE MET 1 14.035 18.045 2.071 11 HE3 MET 1 2HE MET 1 14.238 18.251 3.809 12 H LYS 2 H LYS 2 11.894 12.004 -0.550 13 HA LYS 2 HA LYS 2 12.184 9.890 -1.439 14 HB2 LYS 2 1HB LYS 2 14.073 9.553 0.896 15 HB3 LYS 2 2HB LYS 2 14.170 8.775 -0.680 16 HG2 LYS 2 1HG LYS 2 14.359 11.120 -1.673 17 HG3 LYS 2 2HG LYS 2 14.601 11.693 -0.027 18 HD2 LYS 2 1HD LYS 2 16.535 10.173 0.221 19 HD3 LYS 2 2HD LYS 2 16.302 9.616 -1.437 20 HE2 LYS 2 1HE LYS 2 16.914 12.464 -0.596 21 HE3 LYS 2 2HE LYS 2 18.040 11.347 -1.367 22 HZ1 LYS 2 3HZ LYS 2 17.279 12.410 -3.197 23 HZ2 LYS 2 1HZ LYS 2 15.772 12.784 -2.511 24 HZ3 LYS 2 2HZ LYS 2 16.074 11.217 -3.099 25 HA PRO 3 HA PRO 3 9.666 7.879 1.964 26 HB2 PRO 3 1HB PRO 3 7.204 7.990 0.847 27 HB3 PRO 3 2HB PRO 3 7.895 9.367 1.730 28 HG2 PRO 3 1HG PRO 3 7.741 8.897 -1.216 29 HG3 PRO 3 2HG PRO 3 7.432 10.385 -0.302 30 HD2 PRO 3 1HD PRO 3 9.809 9.872 -1.612 31 HD3 PRO 3 2HD PRO 3 9.683 10.933 -0.187 32 H LEU 4 H LEU 4 8.911 7.516 -1.519 33 HA LEU 4 HA LEU 4 8.814 4.582 -1.176 34 HB2 LEU 4 1HB LEU 4 7.787 6.323 -3.439 35 HB3 LEU 4 2HB LEU 4 7.588 4.571 -3.306 36 HG LEU 4 HG LEU 4 6.478 6.663 -1.410 37 HD11 LEU 4 1HD1 LEU 4 4.764 4.702 -2.885 38 HD12 LEU 4 2HD1 LEU 4 5.434 6.045 -3.806 39 HD13 LEU 4 3HD1 LEU 4 4.417 6.362 -2.404 40 HD21 LEU 4 3HD2 LEU 4 6.634 3.663 -1.244 41 HD22 LEU 4 1HD2 LEU 4 5.245 4.497 -0.544 42 HD23 LEU 4 2HD2 LEU 4 6.867 4.865 0.026 43 H SER 5 H SER 5 11.100 6.767 -1.985 44 HA SER 5 HA SER 5 12.093 5.682 -4.432 45 HB2 SER 5 1HB SER 5 13.492 7.264 -2.285 46 HB3 SER 5 2HB SER 5 14.167 6.907 -3.868 47 HG SER 5 HG SER 5 12.882 8.342 -4.743 48 H ASN 6 H ASN 6 12.225 4.577 -1.184 49 HA ASN 6 HA ASN 6 14.584 2.867 -1.734 50 HB2 ASN 6 1HB ASN 6 13.165 3.603 0.828 51 HB3 ASN 6 2HB ASN 6 14.453 2.408 0.737 52 HD21 ASN 6 2HD2 ASN 6 14.762 4.758 2.295 53 HD22 ASN 6 1HD2 ASN 6 15.942 5.746 1.576 54 H MET 7 H MET 7 11.322 2.626 -2.137 55 HA MET 7 HA MET 7 11.422 -0.295 -1.729 56 HB2 MET 7 1HB MET 7 9.142 -0.138 -0.625 57 HB3 MET 7 2HB MET 7 10.502 0.403 0.352 58 HG2 MET 7 1HG MET 7 10.036 2.737 -0.276 59 HG3 MET 7 2HG MET 7 8.690 2.195 -1.281 60 HE1 MET 7 3HE MET 7 6.340 0.503 0.888 61 HE2 MET 7 1HE MET 7 6.874 1.034 -0.702 62 HE3 MET 7 2HE MET 7 5.893 2.093 0.308 63 H LYS 8 H LYS 8 9.519 -1.395 -2.570 64 HA LYS 8 HA LYS 8 8.567 -0.174 -5.088 65 HB2 LYS 8 1HB LYS 8 8.868 -3.023 -4.133 66 HB3 LYS 8 2HB LYS 8 7.852 -2.625 -5.515 67 HG2 LYS 8 1HG LYS 8 9.951 -3.188 -6.450 68 HG3 LYS 8 2HG LYS 8 9.924 -1.429 -6.475 69 HD2 LYS 8 1HD LYS 8 11.259 -1.332 -4.449 70 HD3 LYS 8 2HD LYS 8 11.196 -3.084 -4.282 71 HE2 LYS 8 1HE LYS 8 12.407 -3.333 -6.413 72 HE3 LYS 8 2HE LYS 8 12.464 -1.580 -6.589 73 HZ1 LYS 8 3HZ LYS 8 14.453 -1.934 -5.582 74 HZ2 LYS 8 1HZ LYS 8 13.928 -3.313 -4.744 75 HZ3 LYS 8 2HZ LYS 8 13.488 -1.766 -4.194 76 H ILE 9 H ILE 9 6.297 -1.124 -5.662 77 HA ILE 9 HA ILE 9 4.506 -1.233 -3.309 78 HB ILE 9 HB ILE 9 4.220 0.628 -5.650 79 HG12 ILE 9 1HG1 ILE 9 5.788 1.416 -3.895 80 HG13 ILE 9 2HG1 ILE 9 4.374 2.443 -4.052 81 HG21 ILE 9 1HG2 ILE 9 2.171 1.411 -4.347 82 HG22 ILE 9 2HG2 ILE 9 2.329 -0.081 -3.421 83 HG23 ILE 9 3HG2 ILE 9 2.031 -0.149 -5.159 84 HD11 ILE 9 3HD1 ILE 9 4.968 0.443 -1.862 85 HD12 ILE 9 1HD1 ILE 9 3.360 1.108 -2.092 86 HD13 ILE 9 2HD1 ILE 9 4.708 2.167 -1.713 87 H LEU 10 H LEU 10 2.491 -2.236 -3.730 88 HA LEU 10 HA LEU 10 2.262 -3.595 -6.361 89 HB2 LEU 10 1HB LEU 10 3.111 -5.098 -4.517 90 HB3 LEU 10 2HB LEU 10 1.576 -4.862 -3.710 91 HG LEU 10 HG LEU 10 1.013 -5.557 -6.462 92 HD11 LEU 10 1HD1 LEU 10 2.014 -7.826 -6.530 93 HD12 LEU 10 2HD1 LEU 10 2.943 -7.442 -5.080 94 HD13 LEU 10 3HD1 LEU 10 3.240 -6.556 -6.574 95 HD21 LEU 10 3HD2 LEU 10 -0.464 -6.001 -4.531 96 HD22 LEU 10 1HD2 LEU 10 0.710 -7.159 -3.899 97 HD23 LEU 10 2HD2 LEU 10 -0.123 -7.485 -5.420 98 H THR 11 H THR 11 0.229 -3.741 -7.186 99 HA THR 11 HA THR 11 -1.964 -2.492 -5.607 100 HB THR 11 HB THR 11 -3.019 -2.016 -7.781 101 HG1 THR 11 HG1 THR 11 -0.651 -3.210 -8.771 102 HG21 THR 11 3HG2 THR 11 -0.154 -1.076 -7.515 103 HG22 THR 11 1HG2 THR 11 -1.589 -0.289 -6.858 104 HG23 THR 11 2HG2 THR 11 -1.337 -0.353 -8.603 105 H LEU 12 H LEU 12 -2.971 -4.154 -4.632 106 HA LEU 12 HA LEU 12 -3.129 -6.776 -5.647 107 HB2 LEU 12 1HB LEU 12 -3.464 -6.131 -3.241 108 HB3 LEU 12 2HB LEU 12 -5.026 -5.450 -3.690 109 HG LEU 12 HG LEU 12 -5.754 -7.667 -4.519 110 HD11 LEU 12 1HD1 LEU 12 -4.124 -9.589 -3.578 111 HD12 LEU 12 2HD1 LEU 12 -2.908 -8.351 -3.864 112 HD13 LEU 12 3HD1 LEU 12 -3.924 -8.913 -5.192 113 HD21 LEU 12 3HD2 LEU 12 -5.887 -8.780 -2.300 114 HD22 LEU 12 1HD2 LEU 12 -6.233 -7.054 -2.187 115 HD23 LEU 12 2HD2 LEU 12 -4.659 -7.672 -1.688 116 H GLY 13 H GLY 13 -5.356 -4.034 -5.777 117 HA2 GLY 13 1HA GLY 13 -6.399 -4.533 -8.278 118 HA3 GLY 13 2HA GLY 13 -7.423 -5.440 -7.172 119 H LYS 14 H LYS 14 -8.308 -3.292 -8.771 120 HA LYS 14 HA LYS 14 -9.558 -1.371 -8.663 121 HB2 LYS 14 1HB LYS 14 -10.619 -2.848 -6.873 122 HB3 LYS 14 2HB LYS 14 -9.729 -1.882 -5.696 123 HG2 LYS 14 1HG LYS 14 -10.805 0.156 -6.484 124 HG3 LYS 14 2HG LYS 14 -11.619 -0.736 -7.770 125 HD2 LYS 14 1HD LYS 14 -12.757 -2.116 -6.044 126 HD3 LYS 14 2HD LYS 14 -12.014 -1.115 -4.795 127 HE2 LYS 14 1HE LYS 14 -13.864 -0.123 -6.984 128 HE3 LYS 14 2HE LYS 14 -14.290 -0.338 -5.288 129 HZ1 LYS 14 3HZ LYS 14 -13.738 1.952 -5.728 130 HZ2 LYS 14 1HZ LYS 14 -12.224 1.507 -6.348 131 HZ3 LYS 14 2HZ LYS 14 -12.569 1.268 -4.701 132 H LEU 15 H LEU 15 -9.502 0.858 -8.085 133 HA LEU 15 HA LEU 15 -7.659 1.865 -6.150 134 HB2 LEU 15 1HB LEU 15 -6.076 1.125 -7.956 135 HB3 LEU 15 2HB LEU 15 -6.868 2.263 -9.044 136 HG LEU 15 HG LEU 15 -6.341 4.086 -7.367 137 HD11 LEU 15 1HD1 LEU 15 -4.275 3.419 -5.899 138 HD12 LEU 15 2HD1 LEU 15 -4.890 1.778 -6.074 139 HD13 LEU 15 3HD1 LEU 15 -5.889 3.020 -5.321 140 HD21 LEU 15 3HD2 LEU 15 -4.965 4.095 -9.257 141 HD22 LEU 15 1HD2 LEU 15 -4.230 2.541 -8.863 142 HD23 LEU 15 2HD2 LEU 15 -3.802 3.980 -7.940 143 H SER 16 H SER 16 -8.433 3.800 -5.509 144 HA SER 16 HA SER 16 -10.632 5.021 -6.833 145 HB2 SER 16 1HB SER 16 -10.275 5.247 -4.411 146 HB3 SER 16 2HB SER 16 -8.812 6.182 -4.709 147 HG SER 16 HG SER 16 -10.059 7.848 -4.935 148 H GLN 17 H GLN 17 -7.182 5.812 -6.666 149 HA GLN 17 HA GLN 17 -7.332 8.209 -8.184 150 HB2 GLN 17 1HB GLN 17 -5.081 6.308 -7.515 151 HB3 GLN 17 2HB GLN 17 -4.834 7.747 -8.506 152 HG2 GLN 17 1HG GLN 17 -5.402 9.201 -6.775 153 HG3 GLN 17 2HG GLN 17 -6.191 7.939 -5.831 154 HE21 GLN 17 2HE2 GLN 17 -4.962 7.702 -4.000 155 HE22 GLN 17 1HE2 GLN 17 -3.275 7.536 -3.954 156 H ASN 18 H ASN 18 -6.751 8.617 -10.313 157 HA ASN 18 HA ASN 18 -7.579 6.644 -12.230 158 HB2 ASN 18 1HB ASN 18 -6.118 9.187 -12.934 159 HB3 ASN 18 2HB ASN 18 -7.412 8.372 -13.810 160 HD21 ASN 18 2HD2 ASN 18 -6.732 10.792 -11.432 161 HD22 ASN 18 1HD2 ASN 18 -8.340 11.125 -11.005 162 H LYS 19 H LYS 19 -6.130 5.917 -14.033 163 HA LYS 19 HA LYS 19 -3.808 4.734 -13.045 164 HB2 LYS 19 1HB LYS 19 -3.190 4.372 -15.443 165 HB3 LYS 19 2HB LYS 19 -4.806 3.817 -15.024 166 HG2 LYS 19 1HG LYS 19 -5.764 5.910 -15.938 167 HG3 LYS 19 2HG LYS 19 -4.151 6.451 -16.382 168 HD2 LYS 19 1HD LYS 19 -5.214 3.811 -17.371 169 HD3 LYS 19 2HD LYS 19 -5.584 5.315 -18.209 170 HE2 LYS 19 1HE LYS 19 -3.141 5.785 -18.384 171 HE3 LYS 19 2HE LYS 19 -2.809 4.218 -17.656 172 HZ1 LYS 19 3HZ LYS 19 -3.853 3.122 -19.469 173 HZ2 LYS 19 1HZ LYS 19 -2.759 4.241 -20.119 174 HZ3 LYS 19 2HZ LYS 19 -4.420 4.587 -20.116 175 H ASP 20 H ASP 20 -4.138 7.696 -15.014 176 HA ASP 20 HA ASP 20 -1.376 8.224 -15.211 177 HB2 ASP 20 1HB ASP 20 -3.031 9.230 -16.684 178 HB3 ASP 20 2HB ASP 20 -3.708 10.131 -15.330 179 H GLU 21 H GLU 21 -3.819 9.526 -12.949 180 HA GLU 21 HA GLU 21 -1.985 11.201 -11.600 181 HB2 GLU 21 1HB GLU 21 -4.646 10.055 -10.731 182 HB3 GLU 21 2HB GLU 21 -3.748 11.251 -9.801 183 HG2 GLU 21 1HG GLU 21 -4.629 11.630 -12.679 184 HG3 GLU 21 2HG GLU 21 -5.502 12.258 -11.286 185 H ALA 22 H ALA 22 -3.142 7.913 -10.891 186 HA ALA 22 HA ALA 22 -1.810 7.626 -8.415 187 HB1 ALA 22 3HB ALA 22 -2.057 5.227 -8.777 188 HB2 ALA 22 1HB ALA 22 -2.410 5.491 -10.478 189 HB3 ALA 22 2HB ALA 22 -3.538 6.051 -9.253 190 H LYS 23 H LYS 23 -0.886 6.465 -11.673 191 HA LYS 23 HA LYS 23 1.625 5.458 -10.967 192 HB2 LYS 23 1HB LYS 23 1.842 4.977 -13.216 193 HB3 LYS 23 2HB LYS 23 0.101 5.164 -13.069 194 HG2 LYS 23 1HG LYS 23 0.458 7.606 -13.734 195 HG3 LYS 23 2HG LYS 23 2.087 7.132 -14.206 196 HD2 LYS 23 1HD LYS 23 -0.532 6.060 -15.281 197 HD3 LYS 23 2HD LYS 23 0.681 6.986 -16.157 198 HE2 LYS 23 1HE LYS 23 1.155 4.812 -16.829 199 HE3 LYS 23 2HE LYS 23 2.284 5.002 -15.497 200 HZ1 LYS 23 3HZ LYS 23 0.363 3.066 -15.770 201 HZ2 LYS 23 1HZ LYS 23 -0.286 4.129 -14.620 202 HZ3 LYS 23 2HZ LYS 23 1.235 3.424 -14.358 203 H ALA 24 H ALA 24 0.722 8.626 -12.248 204 HA ALA 24 HA ALA 24 3.323 9.599 -12.641 205 HB1 ALA 24 3HB ALA 24 2.275 11.863 -12.390 206 HB2 ALA 24 1HB ALA 24 0.770 11.058 -11.950 207 HB3 ALA 24 2HB ALA 24 1.462 10.815 -13.553 208 H MET 25 H MET 25 1.191 9.952 -9.783 209 HA MET 25 HA MET 25 3.139 11.368 -8.303 210 HB2 MET 25 1HB MET 25 1.577 11.545 -6.650 211 HB3 MET 25 2HB MET 25 0.507 11.092 -7.966 212 HG2 MET 25 1HG MET 25 0.558 8.737 -7.203 213 HG3 MET 25 2HG MET 25 1.648 9.173 -5.889 214 HE1 MET 25 3HE MET 25 0.192 12.167 -4.799 215 HE2 MET 25 1HE MET 25 1.356 10.905 -4.377 216 HE3 MET 25 2HE MET 25 -0.110 11.105 -3.428 217 H ILE 26 H ILE 26 2.375 7.917 -8.468 218 HA ILE 26 HA ILE 26 3.990 7.113 -6.307 219 HB ILE 26 HB ILE 26 3.049 5.720 -8.803 220 HG12 ILE 26 1HG1 ILE 26 2.239 5.315 -5.918 221 HG13 ILE 26 2HG1 ILE 26 1.471 6.534 -6.932 222 HG21 ILE 26 1HG2 ILE 26 4.699 4.682 -6.488 223 HG22 ILE 26 2HG2 ILE 26 4.958 4.440 -8.218 224 HG23 ILE 26 3HG2 ILE 26 3.626 3.619 -7.401 225 HD11 ILE 26 3HD1 ILE 26 0.246 4.368 -6.922 226 HD12 ILE 26 1HD1 ILE 26 1.670 3.595 -7.622 227 HD13 ILE 26 2HD1 ILE 26 0.798 4.833 -8.529 228 H GLU 27 H GLU 27 4.792 7.446 -9.780 229 HA GLU 27 HA GLU 27 7.506 6.586 -9.364 230 HB2 GLU 27 1HB GLU 27 6.027 7.742 -11.717 231 HB3 GLU 27 2HB GLU 27 7.766 7.451 -11.764 232 HG2 GLU 27 1HG GLU 27 5.810 5.305 -10.922 233 HG3 GLU 27 2HG GLU 27 6.266 5.539 -12.611 234 H LYS 28 H LYS 28 5.868 9.641 -9.200 235 HA LYS 28 HA LYS 28 8.023 11.376 -9.743 236 HB2 LYS 28 1HB LYS 28 5.630 12.060 -9.433 237 HB3 LYS 28 2HB LYS 28 5.822 11.799 -7.698 238 HG2 LYS 28 1HG LYS 28 7.716 13.445 -7.710 239 HG3 LYS 28 2HG LYS 28 7.379 13.760 -9.409 240 HD2 LYS 28 1HD LYS 28 5.323 14.096 -7.215 241 HD3 LYS 28 2HD LYS 28 6.337 15.411 -7.798 242 HE2 LYS 28 1HE LYS 28 5.436 14.816 -10.152 243 HE3 LYS 28 2HE LYS 28 4.201 13.889 -9.296 244 HZ1 LYS 28 3HZ LYS 28 3.361 15.772 -8.284 245 HZ2 LYS 28 1HZ LYS 28 3.731 16.335 -9.840 246 HZ3 LYS 28 2HZ LYS 28 4.773 16.675 -8.545 247 H LEU 29 H LEU 29 6.917 9.883 -6.728 248 HA LEU 29 HA LEU 29 8.861 10.981 -4.976 249 HB2 LEU 29 1HB LEU 29 7.579 8.240 -4.744 250 HB3 LEU 29 2HB LEU 29 8.186 9.252 -3.444 251 HG LEU 29 HG LEU 29 5.905 10.036 -5.248 252 HD11 LEU 29 1HD1 LEU 29 5.959 8.488 -2.683 253 HD12 LEU 29 2HD1 LEU 29 4.921 8.280 -4.088 254 HD13 LEU 29 3HD1 LEU 29 4.624 9.602 -2.965 255 HD21 LEU 29 3HD2 LEU 29 6.895 11.969 -4.266 256 HD22 LEU 29 1HD2 LEU 29 7.099 11.155 -2.715 257 HD23 LEU 29 2HD2 LEU 29 5.489 11.604 -3.273 258 H GLY 30 H GLY 30 8.646 8.116 -6.912 259 HA2 GLY 30 1HA GLY 30 10.845 7.393 -7.946 260 HA3 GLY 30 2HA GLY 30 11.417 7.313 -6.274 261 H GLY 31 H GLY 31 8.223 6.703 -6.093 262 HA2 GLY 31 1HA GLY 31 8.483 3.995 -5.394 263 HA3 GLY 31 2HA GLY 31 6.962 4.813 -5.756 264 H LYS 32 H LYS 32 7.758 2.105 -6.467 265 HA LYS 32 HA LYS 32 7.356 2.254 -9.375 266 HB2 LYS 32 1HB LYS 32 9.456 0.581 -7.983 267 HB3 LYS 32 2HB LYS 32 8.987 0.396 -9.670 268 HG2 LYS 32 1HG LYS 32 9.680 2.705 -10.140 269 HG3 LYS 32 2HG LYS 32 10.078 2.946 -8.442 270 HD2 LYS 32 1HD LYS 32 12.164 2.462 -9.407 271 HD3 LYS 32 2HD LYS 32 11.665 0.914 -8.731 272 HE2 LYS 32 1HE LYS 32 10.902 0.148 -10.915 273 HE3 LYS 32 2HE LYS 32 11.211 1.736 -11.615 274 HZ1 LYS 32 3HZ LYS 32 13.587 1.276 -10.647 275 HZ2 LYS 32 1HZ LYS 32 13.130 0.666 -12.161 276 HZ3 LYS 32 2HZ LYS 32 13.101 -0.346 -10.798 277 H LEU 33 H LEU 33 6.295 0.486 -10.277 278 HA LEU 33 HA LEU 33 4.782 -1.131 -8.328 279 HB2 LEU 33 1HB LEU 33 4.347 -0.627 -11.283 280 HB3 LEU 33 2HB LEU 33 3.342 -1.679 -10.289 281 HG LEU 33 HG LEU 33 3.818 1.258 -9.686 282 HD11 LEU 33 1HD1 LEU 33 2.645 0.878 -11.865 283 HD12 LEU 33 2HD1 LEU 33 1.628 1.680 -10.666 284 HD13 LEU 33 3HD1 LEU 33 1.411 -0.036 -11.001 285 HD21 LEU 33 3HD2 LEU 33 3.083 0.269 -7.681 286 HD22 LEU 33 1HD2 LEU 33 2.076 -0.915 -8.513 287 HD23 LEU 33 2HD2 LEU 33 1.562 0.766 -8.414 288 H THR 34 H THR 34 4.919 -3.299 -8.232 289 HA THR 34 HA THR 34 6.640 -4.713 -10.189 290 HB THR 34 HB THR 34 8.003 -4.217 -8.200 291 HG1 THR 34 HG1 THR 34 8.415 -6.176 -9.127 292 HG21 THR 34 3HG2 THR 34 6.002 -5.847 -6.627 293 HG22 THR 34 1HG2 THR 34 5.959 -4.084 -6.676 294 HG23 THR 34 2HG2 THR 34 7.365 -4.915 -6.009 295 H GLY 35 H GLY 35 6.335 -7.045 -10.147 296 HA2 GLY 35 1HA GLY 35 3.518 -7.735 -9.801 297 HA3 GLY 35 2HA GLY 35 4.751 -8.710 -10.599 298 H SER 36 H SER 36 4.743 -10.622 -9.526 299 HA SER 36 HA SER 36 4.642 -12.115 -7.737 300 HB2 SER 36 1HB SER 36 7.051 -11.262 -7.996 301 HB3 SER 36 2HB SER 36 6.734 -10.278 -6.572 302 HG SER 36 HG SER 36 7.570 -12.220 -5.887 303 H ALA 37 H ALA 37 5.530 -11.281 -4.978 304 HA ALA 37 HA ALA 37 3.309 -9.550 -4.138 305 HB1 ALA 37 3HB ALA 37 2.649 -11.178 -2.378 306 HB2 ALA 37 1HB ALA 37 3.749 -12.359 -3.094 307 HB3 ALA 37 2HB ALA 37 2.356 -11.785 -4.007 308 H ASN 38 H ASN 38 5.689 -11.714 -2.594 309 HA ASN 38 HA ASN 38 6.253 -9.972 -0.461 310 HB2 ASN 38 1HB ASN 38 6.725 -12.369 -0.394 311 HB3 ASN 38 2HB ASN 38 8.030 -12.142 -1.555 312 HD21 ASN 38 2HD2 ASN 38 6.953 -10.499 1.472 313 HD22 ASN 38 1HD2 ASN 38 8.501 -10.424 2.165 314 H LYS 39 H LYS 39 7.543 -10.045 -3.692 315 HA LYS 39 HA LYS 39 9.987 -8.732 -3.244 316 HB2 LYS 39 1HB LYS 39 8.117 -8.472 -5.617 317 HB3 LYS 39 2HB LYS 39 9.803 -7.976 -5.592 318 HG2 LYS 39 1HG LYS 39 8.885 -10.829 -5.112 319 HG3 LYS 39 2HG LYS 39 9.391 -10.214 -6.682 320 HD2 LYS 39 1HD LYS 39 11.617 -9.673 -5.760 321 HD3 LYS 39 2HD LYS 39 11.131 -10.298 -4.192 322 HE2 LYS 39 1HE LYS 39 10.741 -12.512 -5.159 323 HE3 LYS 39 2HE LYS 39 11.203 -11.910 -6.751 324 HZ1 LYS 39 3HZ LYS 39 13.170 -12.782 -6.001 325 HZ2 LYS 39 1HZ LYS 39 12.869 -12.382 -4.380 326 HZ3 LYS 39 2HZ LYS 39 13.332 -11.172 -5.478 327 H ALA 40 H ALA 40 6.701 -7.531 -3.522 328 HA ALA 40 HA ALA 40 7.451 -4.758 -3.554 329 HB1 ALA 40 3HB ALA 40 4.772 -5.757 -2.651 330 HB2 ALA 40 1HB ALA 40 5.262 -5.902 -4.339 331 HB3 ALA 40 2HB ALA 40 5.167 -4.310 -3.585 332 H SER 41 H SER 41 6.632 -3.211 -1.780 333 HA SER 41 HA SER 41 7.492 -4.340 0.840 334 HB2 SER 41 1HB SER 41 7.691 -1.921 1.473 335 HB3 SER 41 2HB SER 41 8.778 -2.406 0.169 336 HG SER 41 HG SER 41 7.597 -1.301 -1.236 337 H LEU 42 H LEU 42 5.346 -1.721 -0.190 338 HA LEU 42 HA LEU 42 3.289 -2.692 1.718 339 HB2 LEU 42 1HB LEU 42 3.887 0.109 0.754 340 HB3 LEU 42 2HB LEU 42 2.519 -0.347 1.767 341 HG LEU 42 HG LEU 42 5.432 -0.775 2.496 342 HD11 LEU 42 1HD1 LEU 42 4.687 1.608 2.440 343 HD12 LEU 42 2HD1 LEU 42 5.130 1.050 4.053 344 HD13 LEU 42 3HD1 LEU 42 3.432 1.195 3.604 345 HD21 LEU 42 3HD2 LEU 42 4.117 -1.013 4.830 346 HD22 LEU 42 1HD2 LEU 42 4.412 -2.380 3.757 347 HD23 LEU 42 2HD2 LEU 42 2.840 -1.576 3.749 348 H CYS 43 H CYS 43 1.613 -3.544 0.814 349 HA CYS 43 HA CYS 43 0.972 -3.143 -1.990 350 HB2 CYS 43 1HB CYS 43 0.768 -5.386 -1.233 351 HB3 CYS 43 2HB CYS 43 -0.163 -4.901 0.183 352 HG CYS 43 HG CYS 43 -1.704 -5.816 -1.858 353 H ILE 44 H ILE 44 -0.730 -2.039 -2.808 354 HA ILE 44 HA ILE 44 -2.071 -0.153 -1.031 355 HB ILE 44 HB ILE 44 -2.192 -0.544 -4.033 356 HG12 ILE 44 1HG1 ILE 44 0.016 0.149 -3.226 357 HG13 ILE 44 2HG1 ILE 44 -0.754 1.459 -4.109 358 HG21 ILE 44 1HG2 ILE 44 -3.139 1.820 -3.943 359 HG22 ILE 44 2HG2 ILE 44 -3.400 1.548 -2.219 360 HG23 ILE 44 3HG2 ILE 44 -4.213 0.529 -3.405 361 HD11 ILE 44 3HD1 ILE 44 -0.061 1.256 -1.232 362 HD12 ILE 44 1HD1 ILE 44 -1.589 2.061 -1.585 363 HD13 ILE 44 2HD1 ILE 44 -0.088 2.668 -2.280 364 H SER 45 H SER 45 -3.805 -0.826 0.015 365 HA SER 45 HA SER 45 -6.099 -1.743 -1.418 366 HB2 SER 45 1HB SER 45 -4.923 -3.888 -1.255 367 HB3 SER 45 2HB SER 45 -4.791 -3.695 0.488 368 HG SER 45 HG SER 45 -6.930 -4.447 -1.060 369 H THR 46 H THR 46 -7.991 -1.592 -0.222 370 HA THR 46 HA THR 46 -7.790 0.016 2.212 371 HB THR 46 HB THR 46 -10.053 0.600 1.809 372 HG1 THR 46 HG1 THR 46 -11.023 -1.323 1.477 373 HG21 THR 46 3HG2 THR 46 -8.484 1.525 0.137 374 HG22 THR 46 1HG2 THR 46 -10.081 1.253 -0.561 375 HG23 THR 46 2HG2 THR 46 -8.770 0.126 -0.898 376 H LYS 47 H LYS 47 -9.300 -0.479 4.012 377 HA LYS 47 HA LYS 47 -8.894 -3.038 5.049 378 HB2 LYS 47 1HB LYS 47 -9.476 -0.830 6.264 379 HB3 LYS 47 2HB LYS 47 -11.151 -1.220 5.882 380 HG2 LYS 47 1HG LYS 47 -10.712 -2.058 8.081 381 HG3 LYS 47 2HG LYS 47 -10.822 -3.440 7.005 382 HD2 LYS 47 1HD LYS 47 -8.754 -4.114 7.680 383 HD3 LYS 47 2HD LYS 47 -8.064 -2.654 7.005 384 HE2 LYS 47 1HE LYS 47 -7.396 -2.539 9.215 385 HE3 LYS 47 2HE LYS 47 -8.834 -1.539 9.242 386 HZ1 LYS 47 3HZ LYS 47 -9.586 -2.893 10.820 387 HZ2 LYS 47 1HZ LYS 47 -8.328 -4.004 10.575 388 HZ3 LYS 47 2HZ LYS 47 -9.740 -4.097 9.633 389 H LYS 48 H LYS 48 -11.670 -1.622 3.361 390 HA LYS 48 HA LYS 48 -13.507 -3.675 3.805 391 HB2 LYS 48 1HB LYS 48 -13.900 -1.436 2.596 392 HB3 LYS 48 2HB LYS 48 -13.274 -2.239 1.155 393 HG2 LYS 48 1HG LYS 48 -14.992 -3.981 1.359 394 HG3 LYS 48 2HG LYS 48 -15.605 -3.227 2.826 395 HD2 LYS 48 1HD LYS 48 -16.166 -1.188 1.561 396 HD3 LYS 48 2HD LYS 48 -15.540 -1.929 0.088 397 HE2 LYS 48 1HE LYS 48 -17.217 -3.735 0.296 398 HE3 LYS 48 2HE LYS 48 -17.857 -2.969 1.749 399 HZ1 LYS 48 3HZ LYS 48 -17.645 -1.479 -0.787 400 HZ2 LYS 48 1HZ LYS 48 -18.640 -1.159 0.548 401 HZ3 LYS 48 2HZ LYS 48 -18.986 -2.474 -0.474 402 H GLU 49 H GLU 49 -11.025 -3.346 1.301 403 HA GLU 49 HA GLU 49 -11.591 -5.696 -0.135 404 HB2 GLU 49 1HB GLU 49 -9.000 -4.182 0.247 405 HB3 GLU 49 2HB GLU 49 -9.223 -5.488 -0.919 406 HG2 GLU 49 1HG GLU 49 -11.013 -4.224 -2.022 407 HG3 GLU 49 2HG GLU 49 -10.860 -2.936 -0.826 408 H VAL 50 H VAL 50 -9.503 -5.008 2.632 409 HA VAL 50 HA VAL 50 -8.282 -7.560 2.822 410 HB VAL 50 HB VAL 50 -8.859 -5.521 4.975 411 HG11 VAL 50 1HG1 VAL 50 -8.395 -7.643 6.018 412 HG12 VAL 50 2HG1 VAL 50 -6.941 -6.654 6.137 413 HG13 VAL 50 3HG1 VAL 50 -7.035 -7.934 4.927 414 HG21 VAL 50 3HG2 VAL 50 -6.772 -4.555 4.481 415 HG22 VAL 50 1HG2 VAL 50 -7.390 -4.938 2.875 416 HG23 VAL 50 2HG2 VAL 50 -6.197 -5.991 3.635 417 H GLU 51 H GLU 51 -11.204 -6.191 4.302 418 HA GLU 51 HA GLU 51 -11.842 -8.303 6.020 419 HB2 GLU 51 1HB GLU 51 -13.632 -6.352 4.556 420 HB3 GLU 51 2HB GLU 51 -14.216 -7.475 5.785 421 HG2 GLU 51 1HG GLU 51 -12.021 -5.433 6.246 422 HG3 GLU 51 2HG GLU 51 -13.704 -5.195 6.695 423 H LYS 52 H LYS 52 -11.926 -8.129 2.614 424 HA LYS 52 HA LYS 52 -13.961 -10.006 2.027 425 HB2 LYS 52 1HB LYS 52 -11.381 -9.592 0.487 426 HB3 LYS 52 2HB LYS 52 -12.918 -10.183 -0.132 427 HG2 LYS 52 1HG LYS 52 -12.595 -7.439 1.045 428 HG3 LYS 52 2HG LYS 52 -12.404 -7.771 -0.658 429 HD2 LYS 52 1HD LYS 52 -14.720 -8.724 -0.654 430 HD3 LYS 52 2HD LYS 52 -14.869 -8.198 1.021 431 HE2 LYS 52 1HE LYS 52 -15.832 -6.479 -0.314 432 HE3 LYS 52 2HE LYS 52 -14.281 -5.883 0.269 433 HZ1 LYS 52 3HZ LYS 52 -13.550 -5.685 -1.797 434 HZ2 LYS 52 1HZ LYS 52 -15.111 -6.049 -2.352 435 HZ3 LYS 52 2HZ LYS 52 -13.969 -7.291 -2.170 436 H MET 53 H MET 53 -10.528 -10.269 2.721 437 HA MET 53 HA MET 53 -9.162 -12.061 3.151 438 HB2 MET 53 1HB MET 53 -11.785 -12.999 4.323 439 HB3 MET 53 2HB MET 53 -10.288 -13.921 4.469 440 HG2 MET 53 1HG MET 53 -10.478 -11.007 5.279 441 HG3 MET 53 2HG MET 53 -10.801 -12.329 6.407 442 HE1 MET 53 3HE MET 53 -7.975 -10.108 4.856 443 HE2 MET 53 1HE MET 53 -7.043 -10.428 6.325 444 HE3 MET 53 2HE MET 53 -8.739 -9.968 6.438 445 H SER 54 H SER 54 -9.896 -11.947 0.561 446 HA SER 54 HA SER 54 -10.931 -14.522 -0.321 447 HB2 SER 54 1HB SER 54 -11.550 -12.561 -1.603 448 HB3 SER 54 2HB SER 54 -9.860 -12.123 -1.830 449 HG SER 54 HG SER 54 -11.406 -14.026 -3.094 450 H LYS 55 H LYS 55 -9.547 -15.422 -2.320 451 HA LYS 55 HA LYS 55 -7.247 -16.599 -1.210 452 HB2 LYS 55 1HB LYS 55 -8.541 -17.584 -3.084 453 HB3 LYS 55 2HB LYS 55 -7.929 -16.316 -4.149 454 HG2 LYS 55 1HG LYS 55 -5.627 -17.057 -3.732 455 HG3 LYS 55 2HG LYS 55 -6.207 -18.286 -2.610 456 HD2 LYS 55 1HD LYS 55 -7.480 -19.355 -4.452 457 HD3 LYS 55 2HD LYS 55 -6.856 -18.139 -5.569 458 HE2 LYS 55 1HE LYS 55 -5.094 -19.973 -3.930 459 HE3 LYS 55 2HE LYS 55 -5.574 -20.306 -5.593 460 HZ1 LYS 55 3HZ LYS 55 -3.392 -18.921 -4.892 461 HZ2 LYS 55 1HZ LYS 55 -4.496 -17.659 -5.150 462 HZ3 LYS 55 2HZ LYS 55 -4.179 -18.775 -6.390 463 H LYS 56 H LYS 56 -7.637 -13.850 -3.391 464 HA LYS 56 HA LYS 56 -4.939 -13.374 -3.972 465 HB2 LYS 56 1HB LYS 56 -7.420 -11.678 -3.939 466 HB3 LYS 56 2HB LYS 56 -5.860 -10.918 -4.219 467 HG2 LYS 56 1HG LYS 56 -6.833 -11.481 -6.363 468 HG3 LYS 56 2HG LYS 56 -5.457 -12.541 -6.084 469 HD2 LYS 56 1HD LYS 56 -6.926 -14.366 -5.427 470 HD3 LYS 56 2HD LYS 56 -8.334 -13.303 -5.497 471 HE2 LYS 56 1HE LYS 56 -8.106 -14.704 -7.549 472 HE3 LYS 56 2HE LYS 56 -8.016 -12.976 -7.898 473 HZ1 LYS 56 3HZ LYS 56 -6.272 -14.441 -8.960 474 HZ2 LYS 56 1HZ LYS 56 -5.603 -14.619 -7.412 475 HZ3 LYS 56 2HZ LYS 56 -5.701 -13.081 -8.119 476 H MET 57 H MET 57 -6.954 -12.179 -1.283 477 HA MET 57 HA MET 57 -4.990 -10.493 -0.154 478 HB2 MET 57 1HB MET 57 -7.632 -11.107 0.403 479 HB3 MET 57 2HB MET 57 -6.809 -11.830 1.775 480 HG2 MET 57 1HG MET 57 -6.820 -8.932 0.903 481 HG3 MET 57 2HG MET 57 -7.300 -9.614 2.449 482 HE1 MET 57 3HE MET 57 -4.085 -10.494 4.254 483 HE2 MET 57 1HE MET 57 -5.471 -11.366 3.594 484 HE3 MET 57 2HE MET 57 -5.705 -9.870 4.493 485 H GLU 58 H GLU 58 -5.733 -13.905 0.218 486 HA GLU 58 HA GLU 58 -4.089 -14.521 2.379 487 HB2 GLU 58 1HB GLU 58 -5.273 -16.425 1.994 488 HB3 GLU 58 2HB GLU 58 -5.693 -15.872 0.378 489 HG2 GLU 58 1HG GLU 58 -3.685 -16.811 -0.551 490 HG3 GLU 58 2HG GLU 58 -3.079 -17.211 1.054 491 H GLU 59 H GLU 59 -3.414 -14.238 -1.079 492 HA GLU 59 HA GLU 59 -0.805 -15.354 -1.085 493 HB2 GLU 59 1HB GLU 59 -1.910 -13.155 -2.853 494 HB3 GLU 59 2HB GLU 59 -0.533 -14.187 -3.217 495 HG2 GLU 59 1HG GLU 59 -3.125 -15.539 -2.556 496 HG3 GLU 59 2HG GLU 59 -3.011 -14.751 -4.112 497 H VAL 60 H VAL 60 -2.006 -12.075 -0.618 498 HA VAL 60 HA VAL 60 0.515 -10.761 -0.419 499 HB VAL 60 HB VAL 60 -2.144 -10.069 0.881 500 HG11 VAL 60 1HG1 VAL 60 -1.350 -7.821 1.047 501 HG12 VAL 60 2HG1 VAL 60 0.089 -8.192 0.104 502 HG13 VAL 60 3HG1 VAL 60 -0.084 -8.837 1.733 503 HG21 VAL 60 3HG2 VAL 60 -0.984 -9.411 -1.836 504 HG22 VAL 60 1HG2 VAL 60 -2.354 -8.549 -1.133 505 HG23 VAL 60 2HG2 VAL 60 -2.482 -10.274 -1.487 506 H LYS 61 H LYS 61 -1.688 -12.185 1.919 507 HA LYS 61 HA LYS 61 -0.303 -11.625 4.305 508 HB2 LYS 61 1HB LYS 61 -2.599 -12.276 4.280 509 HB3 LYS 61 2HB LYS 61 -2.236 -13.773 3.453 510 HG2 LYS 61 1HG LYS 61 -0.999 -14.553 5.474 511 HG3 LYS 61 2HG LYS 61 -1.440 -13.045 6.285 512 HD2 LYS 61 1HD LYS 61 -3.821 -13.561 5.992 513 HD3 LYS 61 2HD LYS 61 -3.408 -15.048 5.137 514 HE2 LYS 61 1HE LYS 61 -2.497 -14.457 7.950 515 HE3 LYS 61 2HE LYS 61 -3.984 -15.327 7.594 516 HZ1 LYS 61 3HZ LYS 61 -1.210 -16.166 7.261 517 HZ2 LYS 61 1HZ LYS 61 -2.310 -16.665 6.069 518 HZ3 LYS 61 2HZ LYS 61 -2.580 -17.074 7.697 519 H ALA 62 H ALA 62 -0.266 -14.546 2.258 520 HA ALA 62 HA ALA 62 1.682 -15.881 3.887 521 HB1 ALA 62 3HB ALA 62 0.832 -16.484 1.045 522 HB2 ALA 62 1HB ALA 62 0.010 -17.077 2.487 523 HB3 ALA 62 2HB ALA 62 1.665 -17.579 2.147 524 H ALA 63 H ALA 63 1.819 -13.493 1.482 525 HA ALA 63 HA ALA 63 4.544 -14.121 0.642 526 HB1 ALA 63 3HB ALA 63 2.708 -11.816 -0.069 527 HB2 ALA 63 1HB ALA 63 2.990 -13.264 -1.040 528 HB3 ALA 63 2HB ALA 63 4.298 -12.109 -0.778 529 H ASN 64 H ASN 64 3.122 -12.773 3.271 530 HA ASN 64 HA ASN 64 3.825 -11.426 4.969 531 HB2 ASN 64 1HB ASN 64 6.427 -12.257 3.701 532 HB3 ASN 64 2HB ASN 64 6.414 -11.151 5.068 533 HD21 ASN 64 2HD2 ASN 64 4.101 -12.383 6.420 534 HD22 ASN 64 1HD2 ASN 64 4.632 -13.886 7.001 535 H VAL 65 H VAL 65 2.671 -9.951 3.174 536 HA VAL 65 HA VAL 65 4.430 -7.590 2.800 537 HB VAL 65 HB VAL 65 2.137 -8.620 1.120 538 HG11 VAL 65 1HG1 VAL 65 2.758 -6.630 -0.345 539 HG12 VAL 65 2HG1 VAL 65 3.650 -6.004 1.044 540 HG13 VAL 65 3HG1 VAL 65 1.905 -6.244 1.149 541 HG21 VAL 65 3HG2 VAL 65 4.441 -9.648 0.892 542 HG22 VAL 65 1HG2 VAL 65 4.996 -8.072 0.325 543 HG23 VAL 65 2HG2 VAL 65 3.763 -8.954 -0.579 544 H ARG 66 H ARG 66 3.780 -5.920 4.018 545 HA ARG 66 HA ARG 66 1.347 -6.018 5.536 546 HB2 ARG 66 1HB ARG 66 3.541 -4.791 6.133 547 HB3 ARG 66 2HB ARG 66 2.980 -3.534 5.044 548 HG2 ARG 66 1HG ARG 66 0.867 -3.366 6.358 549 HG3 ARG 66 2HG ARG 66 1.518 -4.553 7.488 550 HD2 ARG 66 1HD ARG 66 2.814 -1.898 6.826 551 HD3 ARG 66 2HD ARG 66 1.879 -2.223 8.280 552 HE ARG 66 HE ARG 66 4.565 -3.204 7.679 553 HH11 ARG 66 1HH2 ARG 66 1.747 -3.292 9.698 554 HH12 ARG 66 2HH2 ARG 66 2.537 -4.132 10.991 555 HH21 ARG 66 1HH1 ARG 66 5.594 -4.294 9.378 556 HH22 ARG 66 2HH1 ARG 66 4.714 -4.677 10.816 557 H VAL 67 H VAL 67 -0.411 -4.481 5.293 558 HA VAL 67 HA VAL 67 -0.875 -3.715 2.468 559 HB VAL 67 HB VAL 67 -2.740 -4.459 4.727 560 HG11 VAL 67 1HG1 VAL 67 -3.292 -2.991 2.160 561 HG12 VAL 67 2HG1 VAL 67 -3.958 -2.714 3.769 562 HG13 VAL 67 3HG1 VAL 67 -4.507 -4.094 2.814 563 HG21 VAL 67 3HG2 VAL 67 -3.480 -6.159 3.042 564 HG22 VAL 67 1HG2 VAL 67 -1.786 -6.333 3.497 565 HG23 VAL 67 2HG2 VAL 67 -2.211 -5.586 1.958 566 H VAL 68 H VAL 68 -1.108 -1.586 2.006 567 HA VAL 68 HA VAL 68 -1.474 0.284 4.273 568 HB VAL 68 HB VAL 68 0.875 0.211 3.293 569 HG11 VAL 68 1HG1 VAL 68 -0.531 1.603 0.983 570 HG12 VAL 68 2HG1 VAL 68 0.219 0.010 0.906 571 HG13 VAL 68 3HG1 VAL 68 1.208 1.442 1.176 572 HG21 VAL 68 3HG2 VAL 68 0.908 2.790 3.117 573 HG22 VAL 68 1HG2 VAL 68 0.306 2.088 4.619 574 HG23 VAL 68 2HG2 VAL 68 -0.829 2.693 3.417 575 H CYS 69 H CYS 69 -2.823 1.937 4.044 576 HA CYS 69 HA CYS 69 -4.850 1.763 2.063 577 HB2 CYS 69 1HB CYS 69 -5.942 3.381 3.320 578 HB3 CYS 69 2HB CYS 69 -4.853 2.704 4.528 579 HG CYS 69 HG CYS 69 -3.683 4.881 4.672 580 H GLU 70 H GLU 70 -5.400 3.325 0.471 581 HA GLU 70 HA GLU 70 -3.264 4.123 -1.175 582 HB2 GLU 70 1HB GLU 70 -5.511 3.532 -2.008 583 HB3 GLU 70 2HB GLU 70 -6.156 5.000 -1.273 584 HG2 GLU 70 1HG GLU 70 -4.724 6.374 -2.653 585 HG3 GLU 70 2HG GLU 70 -3.937 4.952 -3.334 586 H ASP 71 H ASP 71 -5.187 5.885 1.181 587 HA ASP 71 HA ASP 71 -4.548 8.505 0.442 588 HB2 ASP 71 1HB ASP 71 -5.120 7.295 3.152 589 HB3 ASP 71 2HB ASP 71 -4.951 9.026 2.881 590 H PHE 72 H PHE 72 -2.621 6.008 1.626 591 HA PHE 72 HA PHE 72 -0.685 7.341 3.149 592 HB2 PHE 72 1HB PHE 72 -0.803 4.917 3.010 593 HB3 PHE 72 2HB PHE 72 -0.322 4.974 1.312 594 HD1 PHE 72 HD1 PHE 72 1.947 5.870 0.690 595 HD2 PHE 72 HD2 PHE 72 0.796 5.184 4.780 596 HE1 PHE 72 HE1 PHE 72 4.327 5.940 1.377 597 HE2 PHE 72 HE2 PHE 72 3.179 5.273 5.462 598 HZ PHE 72 HZ PHE 72 4.942 5.647 3.763 599 H LEU 73 H LEU 73 -0.930 6.807 -0.362 600 HA LEU 73 HA LEU 73 1.597 7.816 -1.072 601 HB2 LEU 73 1HB LEU 73 -1.028 7.974 -2.589 602 HB3 LEU 73 2HB LEU 73 0.555 8.308 -3.277 603 HG LEU 73 HG LEU 73 -0.220 5.675 -2.010 604 HD11 LEU 73 1HD1 LEU 73 -1.516 6.207 -4.068 605 HD12 LEU 73 2HD1 LEU 73 -0.445 4.823 -4.288 606 HD13 LEU 73 3HD1 LEU 73 0.001 6.400 -4.945 607 HD21 LEU 73 3HD2 LEU 73 1.852 5.001 -3.503 608 HD22 LEU 73 1HD2 LEU 73 2.131 5.755 -1.937 609 HD23 LEU 73 2HD2 LEU 73 2.244 6.718 -3.409 610 H GLN 74 H GLN 74 -1.516 9.405 -0.598 611 HA GLN 74 HA GLN 74 -0.558 11.999 -1.285 612 HB2 GLN 74 1HB GLN 74 -3.034 11.187 0.240 613 HB3 GLN 74 2HB GLN 74 -2.710 12.779 -0.455 614 HG2 GLN 74 1HG GLN 74 -3.614 12.042 -2.417 615 HG3 GLN 74 2HG GLN 74 -2.242 10.954 -2.579 616 HE21 GLN 74 2HE2 GLN 74 -2.836 8.848 -2.888 617 HE22 GLN 74 1HE2 GLN 74 -4.253 8.131 -2.283 618 H ASP 75 H ASP 75 -0.819 10.184 1.706 619 HA ASP 75 HA ASP 75 -0.428 12.338 3.505 620 HB2 ASP 75 1HB ASP 75 0.134 9.388 3.752 621 HB3 ASP 75 2HB ASP 75 0.368 10.525 5.074 622 H VAL 76 H VAL 76 1.948 10.062 2.056 623 HA VAL 76 HA VAL 76 4.159 11.297 3.366 624 HB VAL 76 HB VAL 76 5.559 10.127 1.680 625 HG11 VAL 76 1HG1 VAL 76 4.655 9.023 3.761 626 HG12 VAL 76 2HG1 VAL 76 5.039 7.907 2.456 627 HG13 VAL 76 3HG1 VAL 76 3.363 8.351 2.772 628 HG21 VAL 76 3HG2 VAL 76 4.343 8.552 0.135 629 HG22 VAL 76 1HG2 VAL 76 4.155 10.254 -0.280 630 HG23 VAL 76 2HG2 VAL 76 2.850 9.394 0.538 631 H SER 77 H SER 77 2.565 11.740 0.275 632 HA SER 77 HA SER 77 4.389 13.565 -0.873 633 HB2 SER 77 1HB SER 77 2.733 12.655 -2.309 634 HB3 SER 77 2HB SER 77 1.434 13.152 -1.232 635 HG SER 77 HG SER 77 1.818 14.509 -3.130 636 H ALA 78 H ALA 78 1.516 14.080 1.160 637 HA ALA 78 HA ALA 78 2.016 16.966 1.263 638 HB1 ALA 78 3HB ALA 78 -0.203 15.350 2.531 639 HB2 ALA 78 1HB ALA 78 -0.288 16.088 0.932 640 HB3 ALA 78 2HB ALA 78 -0.135 17.105 2.363 641 H SER 79 H SER 79 1.148 14.547 3.742 642 HA SER 79 HA SER 79 2.191 16.057 5.890 643 HB2 SER 79 1HB SER 79 1.856 13.059 5.899 644 HB3 SER 79 2HB SER 79 1.725 14.170 7.247 645 HG SER 79 HG SER 79 -0.210 13.334 5.719 646 H ALA 80 H ALA 80 4.120 15.948 6.986 647 HA ALA 80 HA ALA 80 6.302 14.416 5.673 648 HB1 ALA 80 3HB ALA 80 7.773 16.287 6.570 649 HB2 ALA 80 1HB ALA 80 6.283 17.171 6.903 650 HB3 ALA 80 2HB ALA 80 6.688 16.713 5.247 651 H LYS 81 H LYS 81 4.551 13.608 7.986 652 HA LYS 81 HA LYS 81 6.167 13.809 10.350 653 HB2 LYS 81 1HB LYS 81 4.079 11.707 9.779 654 HB3 LYS 81 2HB LYS 81 4.666 12.233 11.355 655 HG2 LYS 81 1HG LYS 81 3.805 14.541 10.760 656 HG3 LYS 81 2HG LYS 81 2.992 13.776 9.406 657 HD2 LYS 81 1HD LYS 81 2.634 12.971 12.301 658 HD3 LYS 81 2HD LYS 81 1.504 13.977 11.400 659 HE2 LYS 81 1HE LYS 81 1.372 12.051 9.705 660 HE3 LYS 81 2HE LYS 81 2.193 11.075 10.920 661 HZ1 LYS 81 3HZ LYS 81 0.443 11.301 12.405 662 HZ2 LYS 81 1HZ LYS 81 -0.324 11.046 10.916 663 HZ3 LYS 81 2HZ LYS 81 -0.240 12.610 11.569 664 H SER 82 H SER 82 6.129 11.293 11.312 665 HA SER 82 HA SER 82 8.488 10.137 10.101 666 HB2 SER 82 1HB SER 82 8.341 10.141 12.521 667 HB3 SER 82 2HB SER 82 6.812 9.277 12.466 668 HG SER 82 HG SER 82 7.870 7.507 11.622 669 H LEU 83 H LEU 83 8.683 8.180 9.125 670 HA LEU 83 HA LEU 83 6.575 7.272 7.477 671 HB2 LEU 83 1HB LEU 83 9.193 6.041 8.326 672 HB3 LEU 83 2HB LEU 83 8.161 5.354 7.079 673 HG LEU 83 HG LEU 83 8.824 8.260 6.789 674 HD11 LEU 83 1HD1 LEU 83 11.015 7.747 5.774 675 HD12 LEU 83 2HD1 LEU 83 10.844 6.060 6.266 676 HD13 LEU 83 3HD1 LEU 83 10.978 7.325 7.489 677 HD21 LEU 83 3HD2 LEU 83 7.441 7.059 5.127 678 HD22 LEU 83 1HD2 LEU 83 8.757 5.915 4.859 679 HD23 LEU 83 2HD2 LEU 83 8.958 7.607 4.406 680 H GLN 84 H GLN 84 7.976 5.991 10.446 681 HA GLN 84 HA GLN 84 6.424 3.625 10.559 682 HB2 GLN 84 1HB GLN 84 7.799 5.178 12.765 683 HB3 GLN 84 2HB GLN 84 7.158 3.542 12.929 684 HG2 GLN 84 1HG GLN 84 9.250 4.360 10.891 685 HG3 GLN 84 2HG GLN 84 9.613 3.580 12.427 686 HE21 GLN 84 2HE2 GLN 84 9.054 2.912 9.174 687 HE22 GLN 84 1HE2 GLN 84 8.579 1.288 9.321 688 H GLU 85 H GLU 85 5.925 6.843 11.975 689 HA GLU 85 HA GLU 85 3.657 6.157 13.530 690 HB2 GLU 85 1HB GLU 85 4.544 8.808 12.376 691 HB3 GLU 85 2HB GLU 85 3.228 8.619 13.534 692 HG2 GLU 85 1HG GLU 85 4.743 7.621 15.166 693 HG3 GLU 85 2HG GLU 85 6.071 7.687 14.011 694 H LEU 86 H LEU 86 4.048 7.112 10.182 695 HA LEU 86 HA LEU 86 1.352 7.710 9.626 696 HB2 LEU 86 1HB LEU 86 3.669 6.799 7.940 697 HB3 LEU 86 2HB LEU 86 2.073 7.015 7.223 698 HG LEU 86 HG LEU 86 3.480 9.172 8.835 699 HD11 LEU 86 1HD1 LEU 86 4.792 8.564 6.823 700 HD12 LEU 86 2HD1 LEU 86 4.101 10.178 6.683 701 HD13 LEU 86 3HD1 LEU 86 3.365 8.827 5.821 702 HD21 LEU 86 3HD2 LEU 86 0.960 9.031 7.183 703 HD22 LEU 86 1HD2 LEU 86 1.837 10.556 7.280 704 HD23 LEU 86 2HD2 LEU 86 1.222 9.807 8.745 705 H LEU 87 H LEU 87 3.155 4.661 9.579 706 HA LEU 87 HA LEU 87 1.160 3.008 8.430 707 HB2 LEU 87 1HB LEU 87 3.067 2.052 10.576 708 HB3 LEU 87 2HB LEU 87 2.427 1.160 9.193 709 HG LEU 87 HG LEU 87 4.422 3.382 9.201 710 HD11 LEU 87 1HD1 LEU 87 5.131 0.991 9.685 711 HD12 LEU 87 2HD1 LEU 87 5.949 1.756 8.322 712 HD13 LEU 87 3HD1 LEU 87 4.644 0.606 8.033 713 HD21 LEU 87 3HD2 LEU 87 3.021 3.818 7.283 714 HD22 LEU 87 1HD2 LEU 87 2.976 2.105 6.864 715 HD23 LEU 87 2HD2 LEU 87 4.472 3.022 6.681 716 H SER 88 H SER 88 1.607 4.349 11.581 717 HA SER 88 HA SER 88 0.313 2.592 13.209 718 HB2 SER 88 1HB SER 88 0.042 5.595 13.359 719 HB3 SER 88 2HB SER 88 -0.229 4.468 14.674 720 HG SER 88 HG SER 88 1.830 4.514 15.017 721 H ALA 89 H ALA 89 -1.088 5.000 11.046 722 HA ALA 89 HA ALA 89 -3.799 3.932 11.664 723 HB1 ALA 89 3HB ALA 89 -4.581 6.126 10.643 724 HB2 ALA 89 1HB ALA 89 -2.906 6.668 10.752 725 HB3 ALA 89 2HB ALA 89 -3.794 6.238 12.215 726 H HIS 90 H HIS 90 -1.501 3.335 9.527 727 HA HIS 90 HA HIS 90 -3.417 3.092 7.274 728 HB2 HIS 90 1HB HIS 90 -0.530 3.954 7.108 729 HB3 HIS 90 2HB HIS 90 -1.552 3.587 5.721 730 HD1 HIS 90 HD1 HIS 90 -4.171 4.882 6.618 731 HD2 HIS 90 HD2 HIS 90 -0.470 6.755 7.004 732 HE1 HIS 90 HE1 HIS 90 -4.639 7.365 6.715 733 HE2 HIS 90 HE2 HIS 90 -2.392 8.524 6.965 734 H SER 91 H SER 91 -1.403 1.482 9.398 735 HA SER 91 HA SER 91 -0.151 -0.431 7.775 736 HB2 SER 91 1HB SER 91 -1.209 -0.658 10.595 737 HB3 SER 91 2HB SER 91 -0.230 -1.892 9.809 738 HG SER 91 HG SER 91 0.741 0.682 9.625 739 H LEU 92 H LEU 92 -3.415 -0.362 9.120 740 HA LEU 92 HA LEU 92 -5.223 -1.766 8.859 741 HB2 LEU 92 1HB LEU 92 -4.126 -1.947 6.048 742 HB3 LEU 92 2HB LEU 92 -5.776 -2.310 6.538 743 HG LEU 92 HG LEU 92 -4.427 0.398 6.793 744 HD11 LEU 92 1HD1 LEU 92 -6.276 0.928 5.030 745 HD12 LEU 92 2HD1 LEU 92 -6.320 -0.813 4.767 746 HD13 LEU 92 3HD1 LEU 92 -4.825 0.085 4.484 747 HD21 LEU 92 3HD2 LEU 92 -6.100 0.299 8.499 748 HD22 LEU 92 1HD2 LEU 92 -7.205 -0.614 7.471 749 HD23 LEU 92 2HD2 LEU 92 -6.901 1.088 7.146 750 H SER 93 H SER 93 -2.247 -3.011 8.979 751 HA SER 93 HA SER 93 -3.186 -5.765 9.155 752 HB2 SER 93 1HB SER 93 -2.621 -5.796 6.850 753 HB3 SER 93 2HB SER 93 -1.184 -4.815 7.113 754 HG SER 93 HG SER 93 -0.818 -7.121 6.846 755 H SER 94 H SER 94 -1.543 -7.198 10.090 756 HA SER 94 HA SER 94 0.372 -5.718 11.805 757 HB2 SER 94 1HB SER 94 0.087 -7.529 13.427 758 HB3 SER 94 2HB SER 94 -1.467 -6.786 13.045 759 HG SER 94 HG SER 94 -1.632 -8.518 11.418 760 H TRP 95 H TRP 95 0.484 -7.395 9.050 761 HA TRP 95 HA TRP 95 2.970 -8.858 9.791 762 HB2 TRP 95 1HB TRP 95 2.461 -10.529 8.149 763 HB3 TRP 95 2HB TRP 95 1.042 -10.342 9.175 764 HD1 TRP 95 HD1 TRP 95 2.346 -9.506 5.686 765 HE1 TRP 95 HE1 TRP 95 0.344 -8.953 4.166 766 HE3 TRP 95 HE3 TRP 95 -1.402 -9.551 9.146 767 HZ2 TRP 95 HZ2 TRP 95 -2.495 -8.567 4.396 768 HZ3 TRP 95 HZ3 TRP 95 -3.743 -9.091 8.477 769 HH2 TRP 95 HH2 TRP 95 -4.295 -8.602 6.110 770 H GLY 96 H GLY 96 4.364 -9.271 7.836 771 HA2 GLY 96 1HA GLY 96 4.647 -8.184 5.474 772 HA3 GLY 96 2HA GLY 96 4.773 -6.716 6.438 773 H ALA 97 H ALA 97 6.091 -10.027 6.413 774 HA ALA 97 HA ALA 97 8.306 -10.712 6.345 775 HB1 ALA 97 3HB ALA 97 10.064 -9.222 6.024 776 HB2 ALA 97 1HB ALA 97 9.345 -7.983 7.056 777 HB3 ALA 97 2HB ALA 97 8.709 -8.262 5.435 778 H GLU 98 H GLU 98 6.418 -10.141 8.628 779 HA GLU 98 HA GLU 98 8.370 -10.482 10.848 780 HB2 GLU 98 1HB GLU 98 5.666 -9.110 10.874 781 HB3 GLU 98 2HB GLU 98 6.611 -9.489 12.315 782 HG2 GLU 98 1HG GLU 98 8.461 -8.104 11.508 783 HG3 GLU 98 2HG GLU 98 7.584 -7.772 10.016 784 H VAL 99 H VAL 99 7.945 -12.112 12.302 785 HA VAL 99 HA VAL 99 5.644 -13.884 11.706 786 HB VAL 99 HB VAL 99 7.158 -15.762 12.476 787 HG11 VAL 99 1HG1 VAL 99 8.000 -14.217 10.002 788 HG12 VAL 99 2HG1 VAL 99 6.645 -15.340 10.090 789 HG13 VAL 99 3HG1 VAL 99 8.296 -15.931 10.294 790 HG21 VAL 99 3HG2 VAL 99 9.631 -15.244 12.169 791 HG22 VAL 99 1HG2 VAL 99 8.900 -14.560 13.621 792 HG23 VAL 99 2HG2 VAL 99 9.199 -13.537 12.220 793 H LYS 100 H LYS 100 4.368 -14.284 13.307 794 HA LYS 100 HA LYS 100 5.097 -13.422 16.034 795 HB2 LYS 100 1HB LYS 100 2.475 -13.892 14.633 796 HB3 LYS 100 2HB LYS 100 2.618 -13.449 16.331 797 HG2 LYS 100 1HG LYS 100 3.773 -11.394 15.770 798 HG3 LYS 100 2HG LYS 100 3.845 -11.843 14.069 799 HD2 LYS 100 1HD LYS 100 1.207 -11.558 15.509 800 HD3 LYS 100 2HD LYS 100 2.019 -10.167 14.797 801 HE2 LYS 100 1HE LYS 100 2.099 -11.412 12.610 802 HE3 LYS 100 2HE LYS 100 1.099 -12.665 13.344 803 HZ1 LYS 100 3HZ LYS 100 -0.121 -10.249 13.915 804 HZ2 LYS 100 1HZ LYS 100 -0.661 -11.456 12.857 805 HZ3 LYS 100 2HZ LYS 100 0.300 -10.185 12.269 806 H HIS 101 H HIS 101 4.744 -16.238 14.172 807 HA HIS 101 HA HIS 101 5.056 -17.902 16.495 808 HB2 HIS 101 1HB HIS 101 2.502 -17.374 16.198 809 HB3 HIS 101 2HB HIS 101 2.591 -18.548 14.890 810 HD1 HIS 101 HD1 HIS 101 2.339 -18.266 18.530 811 HD2 HIS 101 HD2 HIS 101 3.538 -21.208 15.832 812 HE1 HIS 101 HE1 HIS 101 2.381 -20.445 19.819 813 HE2 HIS 101 HE2 HIS 101 3.080 -22.254 18.181 814 H HIS 102 H HIS 102 3.610 -18.518 13.275 815 HA HIS 102 HA HIS 102 6.080 -19.694 12.324 816 HB2 HIS 102 1HB HIS 102 5.126 -21.953 11.980 817 HB3 HIS 102 2HB HIS 102 5.300 -21.538 13.680 818 HD1 HIS 102 HD1 HIS 102 3.422 -23.388 14.088 819 HD2 HIS 102 HD2 HIS 102 2.111 -19.988 12.065 820 HE1 HIS 102 HE1 HIS 102 0.896 -23.394 14.223 821 HE2 HIS 102 HE2 HIS 102 0.085 -21.344 12.972 822 H HIS 103 H HIS 103 5.500 -21.024 10.198 823 HA HIS 103 HA HIS 103 3.839 -19.201 8.557 824 HB2 HIS 103 1HB HIS 103 6.288 -19.565 7.982 825 HB3 HIS 103 2HB HIS 103 5.853 -21.222 7.558 826 HD1 HIS 103 HD1 HIS 103 4.641 -21.601 5.355 827 HD2 HIS 103 HD2 HIS 103 4.989 -17.564 6.310 828 HE1 HIS 103 HE1 HIS 103 3.905 -20.317 3.303 829 HE2 HIS 103 HE2 HIS 103 4.100 -17.851 3.874 830 H HIS 104 H HIS 104 3.996 -22.362 9.850 831 HA HIS 104 HA HIS 104 1.466 -23.042 8.614 832 HB2 HIS 104 1HB HIS 104 2.259 -25.197 7.695 833 HB3 HIS 104 2HB HIS 104 2.976 -23.814 6.874 834 HD1 HIS 104 HD1 HIS 104 4.053 -26.930 7.677 835 HD2 HIS 104 HD2 HIS 104 5.552 -23.200 8.801 836 HE1 HIS 104 HE1 HIS 104 6.482 -27.290 8.316 837 HE2 HIS 104 HE2 HIS 104 7.411 -25.024 8.978 838 H HIS 105 H HIS 105 0.393 -24.751 9.659 839 HA HIS 105 HA HIS 105 0.935 -24.972 12.436 840 HB2 HIS 105 1HB HIS 105 -0.924 -26.447 10.566 841 HB3 HIS 105 2HB HIS 105 -0.843 -26.812 12.286 842 HD1 HIS 105 HD1 HIS 105 -0.301 -23.260 11.419 843 HD2 HIS 105 HD2 HIS 105 -3.530 -25.684 12.460 844 HE1 HIS 105 HE1 HIS 105 -2.204 -21.699 12.030 845 HE2 HIS 105 HE2 HIS 105 -4.165 -23.164 12.702 846 H HIS 106 H HIS 106 1.383 -27.204 9.715 847 HA HIS 106 HA HIS 106 2.697 -29.173 11.456 848 HB2 HIS 106 1HB HIS 106 2.144 -29.371 8.491 849 HB3 HIS 106 2HB HIS 106 2.500 -30.685 9.615 850 HD1 HIS 106 HD1 HIS 106 -0.198 -30.374 7.906 851 HD2 HIS 106 HD2 HIS 106 0.275 -29.409 11.937 852 HE1 HIS 106 HE1 HIS 106 -2.511 -30.429 8.934 853 HE2 HIS 106 HE2 HIS 106 -2.240 -29.845 11.393 Start of MODEL 10 1 H1 MET 1 1H MET 1 12.154 15.174 2.346 2 H2 MET 1 2H MET 1 13.202 13.898 1.953 3 H3 MET 1 3H MET 1 12.359 13.885 3.428 4 HA MET 1 HA MET 1 10.319 13.441 2.425 5 HB2 MET 1 1HB MET 1 11.727 14.190 -0.157 6 HB3 MET 1 2HB MET 1 10.095 13.524 -0.076 7 HG2 MET 1 1HG MET 1 9.411 15.432 1.362 8 HG3 MET 1 2HG MET 1 11.033 16.106 1.207 9 HE1 MET 1 3HE MET 1 10.453 18.405 0.070 10 HE2 MET 1 1HE MET 1 8.892 17.870 0.705 11 HE3 MET 1 2HE MET 1 9.003 18.543 -0.922 12 H LYS 2 H LYS 2 11.559 12.272 -0.461 13 HA LYS 2 HA LYS 2 11.978 10.116 -1.172 14 HB2 LYS 2 1HB LYS 2 13.726 9.953 1.280 15 HB3 LYS 2 2HB LYS 2 13.964 9.154 -0.272 16 HG2 LYS 2 1HG LYS 2 14.212 11.427 -1.325 17 HG3 LYS 2 2HG LYS 2 14.154 12.127 0.293 18 HD2 LYS 2 1HD LYS 2 16.189 10.083 -0.662 19 HD3 LYS 2 2HD LYS 2 16.492 11.809 -0.466 20 HE2 LYS 2 1HE LYS 2 15.655 11.429 1.985 21 HE3 LYS 2 2HE LYS 2 15.995 9.730 1.656 22 HZ1 LYS 2 3HZ LYS 2 17.889 10.885 2.643 23 HZ2 LYS 2 1HZ LYS 2 17.937 11.949 1.323 24 HZ3 LYS 2 2HZ LYS 2 18.250 10.296 1.091 25 HA PRO 3 HA PRO 3 9.342 8.195 2.157 26 HB2 PRO 3 1HB PRO 3 6.940 8.196 0.924 27 HB3 PRO 3 2HB PRO 3 7.561 9.640 1.748 28 HG2 PRO 3 1HG PRO 3 7.500 8.999 -1.159 29 HG3 PRO 3 2HG PRO 3 7.210 10.546 -0.349 30 HD2 PRO 3 1HD PRO 3 9.619 9.814 -1.571 31 HD3 PRO 3 2HD PRO 3 9.457 11.083 -0.332 32 H LEU 4 H LEU 4 8.684 7.651 -1.325 33 HA LEU 4 HA LEU 4 8.700 4.736 -0.863 34 HB2 LEU 4 1HB LEU 4 7.667 6.408 -3.165 35 HB3 LEU 4 2HB LEU 4 7.613 4.646 -3.100 36 HG LEU 4 HG LEU 4 6.325 6.507 -1.081 37 HD11 LEU 4 1HD1 LEU 4 4.540 4.782 -2.662 38 HD12 LEU 4 2HD1 LEU 4 5.391 5.979 -3.632 39 HD13 LEU 4 3HD1 LEU 4 4.417 6.482 -2.258 40 HD21 LEU 4 3HD2 LEU 4 6.696 3.539 -1.203 41 HD22 LEU 4 1HD2 LEU 4 5.125 4.120 -0.643 42 HD23 LEU 4 2HD2 LEU 4 6.595 4.604 0.197 43 H SER 5 H SER 5 10.855 7.071 -1.848 44 HA SER 5 HA SER 5 12.023 5.579 -4.055 45 HB2 SER 5 1HB SER 5 13.632 7.367 -4.156 46 HB3 SER 5 2HB SER 5 12.029 8.054 -3.944 47 HG SER 5 HG SER 5 13.958 8.714 -2.522 48 H ASN 6 H ASN 6 12.559 3.638 -3.176 49 HA ASN 6 HA ASN 6 14.983 2.861 -2.508 50 HB2 ASN 6 1HB ASN 6 15.004 2.729 0.059 51 HB3 ASN 6 2HB ASN 6 15.353 4.303 -0.639 52 HD21 ASN 6 2HD2 ASN 6 14.349 5.840 0.697 53 HD22 ASN 6 1HD2 ASN 6 12.762 5.716 1.283 54 H MET 7 H MET 7 11.666 2.546 -2.313 55 HA MET 7 HA MET 7 11.879 -0.332 -1.595 56 HB2 MET 7 1HB MET 7 9.752 -0.123 -0.377 57 HB3 MET 7 2HB MET 7 10.981 0.939 0.312 58 HG2 MET 7 1HG MET 7 10.076 2.833 -1.014 59 HG3 MET 7 2HG MET 7 8.817 1.775 -1.644 60 HE1 MET 7 3HE MET 7 6.264 1.359 0.952 61 HE2 MET 7 1HE MET 7 7.452 0.132 0.504 62 HE3 MET 7 2HE MET 7 6.802 1.219 -0.716 63 H LYS 8 H LYS 8 10.383 -1.716 -2.576 64 HA LYS 8 HA LYS 8 9.202 -0.697 -5.073 65 HB2 LYS 8 1HB LYS 8 10.093 -3.382 -4.081 66 HB3 LYS 8 2HB LYS 8 8.765 -3.338 -5.234 67 HG2 LYS 8 1HG LYS 8 10.846 -3.549 -6.461 68 HG3 LYS 8 2HG LYS 8 10.172 -1.949 -6.759 69 HD2 LYS 8 1HD LYS 8 11.676 -0.995 -5.049 70 HD3 LYS 8 2HD LYS 8 12.349 -2.600 -4.748 71 HE2 LYS 8 1HE LYS 8 13.126 -2.735 -7.070 72 HE3 LYS 8 2HE LYS 8 12.407 -1.163 -7.417 73 HZ1 LYS 8 3HZ LYS 8 14.924 -1.421 -6.743 74 HZ2 LYS 8 1HZ LYS 8 14.277 -1.333 -5.178 75 HZ3 LYS 8 2HZ LYS 8 14.010 -0.067 -6.279 76 H ILE 9 H ILE 9 6.969 -1.225 -5.605 77 HA ILE 9 HA ILE 9 5.255 -1.588 -3.198 78 HB ILE 9 HB ILE 9 4.972 0.358 -5.464 79 HG12 ILE 9 1HG1 ILE 9 5.209 0.859 -2.496 80 HG13 ILE 9 2HG1 ILE 9 6.610 0.819 -3.566 81 HG21 ILE 9 1HG2 ILE 9 3.007 1.140 -3.908 82 HG22 ILE 9 2HG2 ILE 9 3.070 -0.513 -3.295 83 HG23 ILE 9 3HG2 ILE 9 2.739 -0.215 -5.002 84 HD11 ILE 9 3HD1 ILE 9 5.503 2.574 -4.975 85 HD12 ILE 9 1HD1 ILE 9 5.900 3.108 -3.348 86 HD13 ILE 9 2HD1 ILE 9 4.238 2.686 -3.749 87 H LEU 10 H LEU 10 3.212 -2.396 -3.463 88 HA LEU 10 HA LEU 10 2.537 -3.756 -6.005 89 HB2 LEU 10 1HB LEU 10 3.542 -5.359 -4.425 90 HB3 LEU 10 2HB LEU 10 2.329 -4.938 -3.231 91 HG LEU 10 HG LEU 10 1.222 -5.715 -5.893 92 HD11 LEU 10 1HD1 LEU 10 2.500 -7.806 -4.109 93 HD12 LEU 10 2HD1 LEU 10 3.144 -7.289 -5.668 94 HD13 LEU 10 3HD1 LEU 10 1.582 -8.105 -5.584 95 HD21 LEU 10 3HD2 LEU 10 -0.390 -6.907 -4.507 96 HD22 LEU 10 1HD2 LEU 10 -0.142 -5.305 -3.814 97 HD23 LEU 10 2HD2 LEU 10 0.631 -6.708 -3.083 98 H THR 11 H THR 11 0.283 -4.006 -6.361 99 HA THR 11 HA THR 11 -1.515 -2.766 -4.373 100 HB THR 11 HB THR 11 -0.944 -1.126 -6.250 101 HG1 THR 11 HG1 THR 11 -2.784 -0.422 -5.567 102 HG21 THR 11 3HG2 THR 11 -1.863 -1.477 -8.403 103 HG22 THR 11 1HG2 THR 11 -2.791 -2.875 -7.861 104 HG23 THR 11 2HG2 THR 11 -1.037 -2.985 -8.005 105 H LEU 12 H LEU 12 -3.540 -3.674 -4.233 106 HA LEU 12 HA LEU 12 -3.865 -6.206 -5.759 107 HB2 LEU 12 1HB LEU 12 -3.425 -6.253 -3.229 108 HB3 LEU 12 2HB LEU 12 -5.049 -5.597 -3.056 109 HG LEU 12 HG LEU 12 -5.885 -7.516 -4.480 110 HD11 LEU 12 1HD1 LEU 12 -4.221 -8.603 -5.607 111 HD12 LEU 12 2HD1 LEU 12 -4.008 -9.507 -4.112 112 HD13 LEU 12 3HD1 LEU 12 -2.973 -8.129 -4.459 113 HD21 LEU 12 3HD2 LEU 12 -5.456 -9.222 -2.537 114 HD22 LEU 12 1HD2 LEU 12 -6.339 -7.736 -2.184 115 HD23 LEU 12 2HD2 LEU 12 -4.634 -7.874 -1.756 116 H GLY 13 H GLY 13 -5.523 -6.325 -7.075 117 HA2 GLY 13 1HA GLY 13 -7.522 -5.933 -8.118 118 HA3 GLY 13 2HA GLY 13 -8.165 -5.778 -6.494 119 H LYS 14 H LYS 14 -9.432 -4.124 -6.468 120 HA LYS 14 HA LYS 14 -9.449 -1.919 -8.173 121 HB2 LYS 14 1HB LYS 14 -11.353 -2.767 -6.844 122 HB3 LYS 14 2HB LYS 14 -10.619 -2.092 -5.393 123 HG2 LYS 14 1HG LYS 14 -10.667 0.167 -6.434 124 HG3 LYS 14 2HG LYS 14 -11.438 -0.518 -7.861 125 HD2 LYS 14 1HD LYS 14 -12.626 -0.798 -5.095 126 HD3 LYS 14 2HD LYS 14 -12.991 0.575 -6.138 127 HE2 LYS 14 1HE LYS 14 -13.693 -1.099 -7.918 128 HE3 LYS 14 2HE LYS 14 -13.561 -2.345 -6.683 129 HZ1 LYS 14 3HZ LYS 14 -15.332 0.030 -6.633 130 HZ2 LYS 14 1HZ LYS 14 -15.119 -1.022 -5.318 131 HZ3 LYS 14 2HZ LYS 14 -15.803 -1.597 -6.764 132 H LEU 15 H LEU 15 -8.684 0.051 -8.148 133 HA LEU 15 HA LEU 15 -7.030 0.985 -5.866 134 HB2 LEU 15 1HB LEU 15 -5.671 0.296 -7.858 135 HB3 LEU 15 2HB LEU 15 -6.524 1.509 -8.807 136 HG LEU 15 HG LEU 15 -5.741 3.253 -7.179 137 HD11 LEU 15 1HD1 LEU 15 -5.192 2.227 -5.164 138 HD12 LEU 15 2HD1 LEU 15 -3.590 2.358 -5.883 139 HD13 LEU 15 3HD1 LEU 15 -4.461 0.826 -5.947 140 HD21 LEU 15 3HD2 LEU 15 -3.662 1.577 -8.604 141 HD22 LEU 15 1HD2 LEU 15 -3.368 3.205 -7.997 142 HD23 LEU 15 2HD2 LEU 15 -4.559 2.940 -9.271 143 H SER 16 H SER 16 -7.680 2.933 -5.070 144 HA SER 16 HA SER 16 -9.989 4.238 -6.048 145 HB2 SER 16 1HB SER 16 -7.812 5.239 -4.200 146 HB3 SER 16 2HB SER 16 -9.316 6.099 -4.515 147 HG SER 16 HG SER 16 -9.609 3.436 -3.871 148 H GLN 17 H GLN 17 -6.550 4.948 -6.408 149 HA GLN 17 HA GLN 17 -6.923 7.319 -7.974 150 HB2 GLN 17 1HB GLN 17 -4.577 5.527 -7.363 151 HB3 GLN 17 2HB GLN 17 -4.438 6.905 -8.458 152 HG2 GLN 17 1HG GLN 17 -4.777 8.463 -6.791 153 HG3 GLN 17 2HG GLN 17 -5.718 7.366 -5.786 154 HE21 GLN 17 2HE2 GLN 17 -4.575 7.136 -3.877 155 HE22 GLN 17 1HE2 GLN 17 -2.915 6.809 -3.764 156 H ASN 18 H ASN 18 -6.607 7.609 -10.174 157 HA ASN 18 HA ASN 18 -7.515 5.427 -11.828 158 HB2 ASN 18 1HB ASN 18 -6.505 8.106 -12.782 159 HB3 ASN 18 2HB ASN 18 -7.656 7.029 -13.570 160 HD21 ASN 18 2HD2 ASN 18 -7.307 9.610 -11.290 161 HD22 ASN 18 1HD2 ASN 18 -8.938 9.711 -10.833 162 H LYS 19 H LYS 19 -6.165 6.001 -14.196 163 HA LYS 19 HA LYS 19 -3.832 4.387 -13.911 164 HB2 LYS 19 1HB LYS 19 -4.984 4.134 -15.948 165 HB3 LYS 19 2HB LYS 19 -5.070 5.872 -16.219 166 HG2 LYS 19 1HG LYS 19 -2.672 5.984 -16.623 167 HG3 LYS 19 2HG LYS 19 -2.480 4.295 -16.166 168 HD2 LYS 19 1HD LYS 19 -3.829 3.627 -18.106 169 HD3 LYS 19 2HD LYS 19 -4.049 5.327 -18.543 170 HE2 LYS 19 1HE LYS 19 -1.641 5.613 -18.775 171 HE3 LYS 19 2HE LYS 19 -1.368 3.958 -18.250 172 HZ1 LYS 19 3HZ LYS 19 -2.826 4.817 -20.698 173 HZ2 LYS 19 1HZ LYS 19 -2.646 3.207 -20.191 174 HZ3 LYS 19 2HZ LYS 19 -1.282 4.109 -20.650 175 H ASP 20 H ASP 20 -4.003 7.610 -15.404 176 HA ASP 20 HA ASP 20 -1.262 8.048 -15.213 177 HB2 ASP 20 1HB ASP 20 -2.691 9.288 -16.744 178 HB3 ASP 20 2HB ASP 20 -3.483 10.094 -15.391 179 H GLU 21 H GLU 21 -3.860 9.116 -13.003 180 HA GLU 21 HA GLU 21 -2.195 10.666 -11.333 181 HB2 GLU 21 1HB GLU 21 -4.821 9.280 -10.782 182 HB3 GLU 21 2HB GLU 21 -4.031 10.370 -9.640 183 HG2 GLU 21 1HG GLU 21 -4.069 12.168 -11.319 184 HG3 GLU 21 2HG GLU 21 -4.835 11.084 -12.476 185 H ALA 22 H ALA 22 -3.028 7.206 -11.218 186 HA ALA 22 HA ALA 22 -1.798 6.779 -8.673 187 HB1 ALA 22 3HB ALA 22 -2.437 4.844 -10.908 188 HB2 ALA 22 1HB ALA 22 -3.403 5.159 -9.468 189 HB3 ALA 22 2HB ALA 22 -1.838 4.366 -9.324 190 H LYS 23 H LYS 23 -0.728 5.595 -11.862 191 HA LYS 23 HA LYS 23 1.838 4.869 -11.063 192 HB2 LYS 23 1HB LYS 23 0.739 5.629 -13.771 193 HB3 LYS 23 2HB LYS 23 2.372 5.015 -13.540 194 HG2 LYS 23 1HG LYS 23 1.382 2.968 -13.877 195 HG3 LYS 23 2HG LYS 23 0.955 3.096 -12.176 196 HD2 LYS 23 1HD LYS 23 -1.225 4.052 -12.782 197 HD3 LYS 23 2HD LYS 23 -0.792 3.987 -14.493 198 HE2 LYS 23 1HE LYS 23 -0.537 1.522 -14.308 199 HE3 LYS 23 2HE LYS 23 -1.035 1.614 -12.620 200 HZ1 LYS 23 3HZ LYS 23 -3.160 1.787 -13.196 201 HZ2 LYS 23 1HZ LYS 23 -2.689 1.312 -14.753 202 HZ3 LYS 23 2HZ LYS 23 -2.843 2.964 -14.381 203 H ALA 24 H ALA 24 0.738 8.001 -12.408 204 HA ALA 24 HA ALA 24 3.337 9.041 -12.743 205 HB1 ALA 24 3HB ALA 24 0.827 10.615 -12.140 206 HB2 ALA 24 1HB ALA 24 1.304 10.059 -13.746 207 HB3 ALA 24 2HB ALA 24 2.304 11.224 -12.881 208 H MET 25 H MET 25 1.103 9.249 -9.944 209 HA MET 25 HA MET 25 2.930 10.903 -8.495 210 HB2 MET 25 1HB MET 25 1.410 10.955 -6.752 211 HB3 MET 25 2HB MET 25 0.382 10.743 -8.160 212 HG2 MET 25 1HG MET 25 0.220 8.338 -7.697 213 HG3 MET 25 2HG MET 25 1.274 8.518 -6.291 214 HE1 MET 25 3HE MET 25 0.998 10.034 -4.539 215 HE2 MET 25 1HE MET 25 -0.527 10.344 -3.698 216 HE3 MET 25 2HE MET 25 0.040 11.459 -4.932 217 H ILE 26 H ILE 26 2.385 7.380 -8.530 218 HA ILE 26 HA ILE 26 4.080 6.840 -6.304 219 HB ILE 26 HB ILE 26 3.046 5.220 -8.625 220 HG12 ILE 26 1HG1 ILE 26 2.484 3.715 -6.484 221 HG13 ILE 26 2HG1 ILE 26 2.718 5.227 -5.624 222 HG21 ILE 26 1HG2 ILE 26 5.290 4.384 -8.545 223 HG22 ILE 26 2HG2 ILE 26 4.272 3.213 -7.712 224 HG23 ILE 26 3HG2 ILE 26 5.275 4.324 -6.784 225 HD11 ILE 26 3HD1 ILE 26 0.363 4.888 -6.248 226 HD12 ILE 26 1HD1 ILE 26 0.825 4.795 -7.941 227 HD13 ILE 26 2HD1 ILE 26 1.039 6.300 -7.044 228 H GLU 27 H GLU 27 4.773 7.105 -9.801 229 HA GLU 27 HA GLU 27 7.566 6.584 -9.434 230 HB2 GLU 27 1HB GLU 27 6.004 7.713 -11.761 231 HB3 GLU 27 2HB GLU 27 7.753 7.474 -11.794 232 HG2 GLU 27 1HG GLU 27 7.474 5.097 -11.323 233 HG3 GLU 27 2HG GLU 27 5.732 5.302 -11.164 234 H LYS 28 H LYS 28 5.590 9.410 -9.118 235 HA LYS 28 HA LYS 28 7.514 11.424 -9.598 236 HB2 LYS 28 1HB LYS 28 5.084 11.837 -9.258 237 HB3 LYS 28 2HB LYS 28 5.270 11.424 -7.557 238 HG2 LYS 28 1HG LYS 28 6.934 13.273 -7.323 239 HG3 LYS 28 2HG LYS 28 6.638 13.721 -9.000 240 HD2 LYS 28 1HD LYS 28 4.385 13.534 -6.996 241 HD3 LYS 28 2HD LYS 28 5.342 15.003 -7.167 242 HE2 LYS 28 1HE LYS 28 4.766 15.056 -9.596 243 HE3 LYS 28 2HE LYS 28 3.716 13.662 -9.350 244 HZ1 LYS 28 3HZ LYS 28 2.323 15.501 -9.162 245 HZ2 LYS 28 1HZ LYS 28 3.437 16.381 -8.233 246 HZ3 LYS 28 2HZ LYS 28 2.631 15.048 -7.554 247 H LEU 29 H LEU 29 6.578 9.724 -6.637 248 HA LEU 29 HA LEU 29 8.462 10.940 -4.886 249 HB2 LEU 29 1HB LEU 29 7.338 8.138 -4.677 250 HB3 LEU 29 2HB LEU 29 7.895 9.172 -3.374 251 HG LEU 29 HG LEU 29 5.546 9.757 -5.161 252 HD11 LEU 29 1HD1 LEU 29 5.767 8.325 -2.563 253 HD12 LEU 29 2HD1 LEU 29 4.596 8.141 -3.868 254 HD13 LEU 29 3HD1 LEU 29 4.426 9.460 -2.720 255 HD21 LEU 29 3HD2 LEU 29 6.789 11.177 -2.812 256 HD22 LEU 29 1HD2 LEU 29 5.108 11.455 -3.269 257 HD23 LEU 29 2HD2 LEU 29 6.400 11.829 -4.405 258 H GLY 30 H GLY 30 8.420 8.054 -6.816 259 HA2 GLY 30 1HA GLY 30 10.659 7.512 -7.870 260 HA3 GLY 30 2HA GLY 30 11.253 7.479 -6.209 261 H GLY 31 H GLY 31 8.181 6.569 -5.880 262 HA2 GLY 31 1HA GLY 31 8.768 3.860 -5.321 263 HA3 GLY 31 2HA GLY 31 7.157 4.557 -5.448 264 H LYS 32 H LYS 32 8.106 1.940 -6.407 265 HA LYS 32 HA LYS 32 7.348 2.214 -9.252 266 HB2 LYS 32 1HB LYS 32 9.646 0.577 -8.156 267 HB3 LYS 32 2HB LYS 32 9.005 0.416 -9.795 268 HG2 LYS 32 1HG LYS 32 9.460 2.806 -10.209 269 HG3 LYS 32 2HG LYS 32 10.084 2.970 -8.575 270 HD2 LYS 32 1HD LYS 32 12.020 2.699 -9.914 271 HD3 LYS 32 2HD LYS 32 11.757 1.118 -9.186 272 HE2 LYS 32 1HE LYS 32 11.070 0.154 -11.190 273 HE3 LYS 32 2HE LYS 32 10.510 1.682 -11.868 274 HZ1 LYS 32 3HZ LYS 32 12.709 2.375 -12.253 275 HZ2 LYS 32 1HZ LYS 32 12.621 0.780 -12.822 276 HZ3 LYS 32 2HZ LYS 32 13.366 1.108 -11.330 277 H LEU 33 H LEU 33 6.382 0.343 -10.174 278 HA LEU 33 HA LEU 33 4.886 -1.258 -8.196 279 HB2 LEU 33 1HB LEU 33 4.413 -0.696 -11.132 280 HB3 LEU 33 2HB LEU 33 3.343 -1.641 -10.100 281 HG LEU 33 HG LEU 33 4.108 1.209 -9.423 282 HD11 LEU 33 1HD1 LEU 33 1.917 1.852 -10.430 283 HD12 LEU 33 2HD1 LEU 33 1.746 0.209 -11.049 284 HD13 LEU 33 3HD1 LEU 33 3.054 1.238 -11.630 285 HD21 LEU 33 3HD2 LEU 33 1.871 1.063 -8.226 286 HD22 LEU 33 1HD2 LEU 33 3.119 0.020 -7.556 287 HD23 LEU 33 2HD2 LEU 33 1.864 -0.662 -8.590 288 H THR 34 H THR 34 5.251 -3.373 -7.961 289 HA THR 34 HA THR 34 7.071 -4.763 -9.793 290 HB THR 34 HB THR 34 7.224 -6.460 -8.159 291 HG1 THR 34 HG1 THR 34 5.713 -6.278 -6.298 292 HG21 THR 34 3HG2 THR 34 6.793 -3.946 -6.539 293 HG22 THR 34 1HG2 THR 34 8.209 -4.208 -7.559 294 HG23 THR 34 2HG2 THR 34 7.894 -5.281 -6.194 295 H GLY 35 H GLY 35 6.485 -7.032 -10.426 296 HA2 GLY 35 1HA GLY 35 3.640 -7.163 -11.268 297 HA3 GLY 35 2HA GLY 35 4.984 -7.834 -12.187 298 H SER 36 H SER 36 5.312 -8.250 -8.823 299 HA SER 36 HA SER 36 3.894 -10.801 -8.716 300 HB2 SER 36 1HB SER 36 5.983 -12.000 -8.001 301 HB3 SER 36 2HB SER 36 5.959 -11.542 -9.700 302 HG SER 36 HG SER 36 7.326 -9.863 -9.257 303 H ALA 37 H ALA 37 4.027 -11.786 -6.547 304 HA ALA 37 HA ALA 37 3.728 -9.737 -4.539 305 HB1 ALA 37 3HB ALA 37 3.577 -12.694 -4.015 306 HB2 ALA 37 1HB ALA 37 2.279 -11.846 -4.856 307 HB3 ALA 37 2HB ALA 37 2.716 -11.379 -3.215 308 H ASN 38 H ASN 38 4.632 -9.918 -2.415 309 HA ASN 38 HA ASN 38 6.342 -9.874 -0.945 310 HB2 ASN 38 1HB ASN 38 6.183 -12.345 -1.221 311 HB3 ASN 38 2HB ASN 38 7.487 -12.238 -2.399 312 HD21 ASN 38 2HD2 ASN 38 6.853 -10.744 0.825 313 HD22 ASN 38 1HD2 ASN 38 8.386 -11.096 1.461 314 H LYS 39 H LYS 39 7.089 -9.792 -4.312 315 HA LYS 39 HA LYS 39 9.829 -9.125 -4.164 316 HB2 LYS 39 1HB LYS 39 8.340 -9.702 -6.219 317 HB3 LYS 39 2HB LYS 39 7.929 -7.992 -6.216 318 HG2 LYS 39 1HG LYS 39 9.775 -7.975 -7.637 319 HG3 LYS 39 2HG LYS 39 10.565 -7.669 -6.091 320 HD2 LYS 39 1HD LYS 39 11.147 -10.027 -5.872 321 HD3 LYS 39 2HD LYS 39 10.240 -10.421 -7.334 322 HE2 LYS 39 1HE LYS 39 11.761 -8.887 -8.614 323 HE3 LYS 39 2HE LYS 39 12.718 -8.687 -7.146 324 HZ1 LYS 39 3HZ LYS 39 13.680 -10.403 -8.489 325 HZ2 LYS 39 1HZ LYS 39 12.202 -11.229 -8.585 326 HZ3 LYS 39 2HZ LYS 39 13.015 -11.114 -7.097 327 H ALA 40 H ALA 40 6.848 -7.337 -3.843 328 HA ALA 40 HA ALA 40 8.160 -4.750 -3.586 329 HB1 ALA 40 3HB ALA 40 5.287 -5.373 -2.960 330 HB2 ALA 40 1HB ALA 40 5.855 -5.177 -4.619 331 HB3 ALA 40 2HB ALA 40 5.981 -3.837 -3.478 332 H SER 41 H SER 41 6.937 -3.455 -1.572 333 HA SER 41 HA SER 41 7.623 -5.066 0.846 334 HB2 SER 41 1HB SER 41 8.204 -2.722 1.801 335 HB3 SER 41 2HB SER 41 9.354 -3.499 0.721 336 HG SER 41 HG SER 41 7.379 -1.984 -0.489 337 H LEU 42 H LEU 42 5.713 -2.292 -0.341 338 HA LEU 42 HA LEU 42 3.693 -2.917 1.747 339 HB2 LEU 42 1HB LEU 42 4.707 -0.294 0.707 340 HB3 LEU 42 2HB LEU 42 3.045 -0.397 1.271 341 HG LEU 42 HG LEU 42 3.839 -1.299 3.438 342 HD11 LEU 42 1HD1 LEU 42 6.452 -1.236 2.006 343 HD12 LEU 42 2HD1 LEU 42 5.853 -2.374 3.208 344 HD13 LEU 42 3HD1 LEU 42 6.478 -0.809 3.710 345 HD21 LEU 42 3HD2 LEU 42 3.778 1.306 2.699 346 HD22 LEU 42 1HD2 LEU 42 5.488 1.178 3.119 347 HD23 LEU 42 2HD2 LEU 42 4.254 0.791 4.314 348 H CYS 43 H CYS 43 1.877 -3.603 1.067 349 HA CYS 43 HA CYS 43 1.141 -3.511 -1.753 350 HB2 CYS 43 1HB CYS 43 0.833 -5.652 -0.785 351 HB3 CYS 43 2HB CYS 43 0.051 -4.977 0.645 352 HG CYS 43 HG CYS 43 -1.729 -4.158 -1.493 353 H ILE 44 H ILE 44 -0.557 -2.302 -2.585 354 HA ILE 44 HA ILE 44 -1.740 -0.312 -0.779 355 HB ILE 44 HB ILE 44 -1.822 -0.594 -3.801 356 HG12 ILE 44 1HG1 ILE 44 0.342 0.151 -2.556 357 HG13 ILE 44 2HG1 ILE 44 -0.239 1.141 -3.888 358 HG21 ILE 44 1HG2 ILE 44 -3.859 0.460 -3.235 359 HG22 ILE 44 2HG2 ILE 44 -2.761 1.787 -3.615 360 HG23 ILE 44 3HG2 ILE 44 -3.114 1.389 -1.934 361 HD11 ILE 44 3HD1 ILE 44 0.435 2.176 -1.481 362 HD12 ILE 44 1HD1 ILE 44 -1.274 1.868 -1.179 363 HD13 ILE 44 2HD1 ILE 44 -0.790 2.898 -2.520 364 H SER 45 H SER 45 -3.458 -0.966 0.286 365 HA SER 45 HA SER 45 -5.860 -1.700 -1.114 366 HB2 SER 45 1HB SER 45 -4.726 -3.717 0.827 367 HB3 SER 45 2HB SER 45 -6.242 -3.837 -0.052 368 HG SER 45 HG SER 45 -4.930 -4.895 -1.369 369 H THR 46 H THR 46 -7.728 -1.676 0.288 370 HA THR 46 HA THR 46 -7.254 -0.202 2.821 371 HB THR 46 HB THR 46 -9.437 0.810 2.484 372 HG1 THR 46 HG1 THR 46 -10.597 0.290 0.583 373 HG21 THR 46 3HG2 THR 46 -8.973 2.097 0.455 374 HG22 THR 46 1HG2 THR 46 -7.848 0.855 -0.096 375 HG23 THR 46 2HG2 THR 46 -7.471 1.814 1.336 376 H LYS 47 H LYS 47 -9.054 -0.570 4.477 377 HA LYS 47 HA LYS 47 -9.178 -3.213 5.260 378 HB2 LYS 47 1HB LYS 47 -10.576 -0.710 5.942 379 HB3 LYS 47 2HB LYS 47 -11.553 -2.138 6.264 380 HG2 LYS 47 1HG LYS 47 -8.697 -1.955 7.190 381 HG3 LYS 47 2HG LYS 47 -10.015 -1.280 8.137 382 HD2 LYS 47 1HD LYS 47 -11.032 -3.385 8.450 383 HD3 LYS 47 2HD LYS 47 -10.077 -4.140 7.175 384 HE2 LYS 47 1HE LYS 47 -8.059 -3.950 8.485 385 HE3 LYS 47 2HE LYS 47 -8.884 -2.976 9.695 386 HZ1 LYS 47 3HZ LYS 47 -9.474 -4.831 10.727 387 HZ2 LYS 47 1HZ LYS 47 -8.671 -5.761 9.558 388 HZ3 LYS 47 2HZ LYS 47 -10.309 -5.365 9.348 389 H LYS 48 H LYS 48 -11.602 -1.364 3.426 390 HA LYS 48 HA LYS 48 -13.663 -3.082 3.156 391 HB2 LYS 48 1HB LYS 48 -12.349 -1.543 0.903 392 HB3 LYS 48 2HB LYS 48 -13.972 -2.234 0.840 393 HG2 LYS 48 1HG LYS 48 -14.630 -0.868 2.795 394 HG3 LYS 48 2HG LYS 48 -13.009 -0.181 2.850 395 HD2 LYS 48 1HD LYS 48 -14.106 1.467 1.629 396 HD3 LYS 48 2HD LYS 48 -13.517 0.447 0.318 397 HE2 LYS 48 1HE LYS 48 -15.835 0.886 -0.138 398 HE3 LYS 48 2HE LYS 48 -15.749 -0.782 0.433 399 HZ1 LYS 48 3HZ LYS 48 -16.262 1.493 2.253 400 HZ2 LYS 48 1HZ LYS 48 -16.504 -0.156 2.550 401 HZ3 LYS 48 2HZ LYS 48 -17.520 0.665 1.462 402 H GLU 49 H GLU 49 -10.587 -3.336 1.390 403 HA GLU 49 HA GLU 49 -11.325 -5.708 -0.030 404 HB2 GLU 49 1HB GLU 49 -8.572 -4.620 0.623 405 HB3 GLU 49 2HB GLU 49 -8.947 -5.837 -0.599 406 HG2 GLU 49 1HG GLU 49 -10.037 -3.010 -0.582 407 HG3 GLU 49 2HG GLU 49 -8.695 -3.566 -1.580 408 H VAL 50 H VAL 50 -9.460 -5.033 2.928 409 HA VAL 50 HA VAL 50 -8.742 -7.727 3.471 410 HB VAL 50 HB VAL 50 -9.007 -5.568 5.545 411 HG11 VAL 50 1HG1 VAL 50 -7.092 -6.766 6.537 412 HG12 VAL 50 2HG1 VAL 50 -7.170 -7.946 5.230 413 HG13 VAL 50 3HG1 VAL 50 -8.504 -7.808 6.373 414 HG21 VAL 50 3HG2 VAL 50 -6.658 -6.063 3.690 415 HG22 VAL 50 1HG2 VAL 50 -6.752 -4.844 4.957 416 HG23 VAL 50 2HG2 VAL 50 -7.776 -4.711 3.532 417 H GLU 51 H GLU 51 -11.718 -6.004 3.977 418 HA GLU 51 HA GLU 51 -12.648 -7.518 6.179 419 HB2 GLU 51 1HB GLU 51 -14.101 -6.035 3.976 420 HB3 GLU 51 2HB GLU 51 -14.919 -6.781 5.347 421 HG2 GLU 51 1HG GLU 51 -13.597 -5.375 6.890 422 HG3 GLU 51 2HG GLU 51 -12.781 -4.624 5.536 423 H LYS 52 H LYS 52 -12.742 -7.864 2.700 424 HA LYS 52 HA LYS 52 -14.424 -10.150 2.556 425 HB2 LYS 52 1HB LYS 52 -12.395 -9.422 0.454 426 HB3 LYS 52 2HB LYS 52 -14.017 -10.083 0.249 427 HG2 LYS 52 1HG LYS 52 -14.915 -7.940 1.230 428 HG3 LYS 52 2HG LYS 52 -13.271 -7.320 1.142 429 HD2 LYS 52 1HD LYS 52 -13.196 -7.675 -1.259 430 HD3 LYS 52 2HD LYS 52 -14.823 -8.363 -1.225 431 HE2 LYS 52 1HE LYS 52 -14.199 -5.587 -0.221 432 HE3 LYS 52 2HE LYS 52 -14.676 -5.916 -1.883 433 HZ1 LYS 52 3HZ LYS 52 -16.420 -7.229 -0.090 434 HZ2 LYS 52 1HZ LYS 52 -16.783 -6.058 -1.262 435 HZ3 LYS 52 2HZ LYS 52 -16.332 -5.580 0.305 436 H MET 53 H MET 53 -10.900 -9.737 2.425 437 HA MET 53 HA MET 53 -9.161 -11.234 2.440 438 HB2 MET 53 1HB MET 53 -11.003 -12.913 4.171 439 HB3 MET 53 2HB MET 53 -9.245 -13.021 4.090 440 HG2 MET 53 1HG MET 53 -10.921 -10.758 5.197 441 HG3 MET 53 2HG MET 53 -9.732 -11.741 6.048 442 HE1 MET 53 3HE MET 53 -7.344 -11.658 5.866 443 HE2 MET 53 1HE MET 53 -7.642 -10.185 6.806 444 HE3 MET 53 2HE MET 53 -6.458 -10.176 5.504 445 H SER 54 H SER 54 -10.169 -11.316 0.173 446 HA SER 54 HA SER 54 -11.298 -13.862 -0.613 447 HB2 SER 54 1HB SER 54 -10.207 -11.573 -2.266 448 HB3 SER 54 2HB SER 54 -11.080 -12.963 -2.903 449 HG SER 54 HG SER 54 -12.170 -10.798 -2.171 450 H LYS 55 H LYS 55 -10.096 -14.645 -2.836 451 HA LYS 55 HA LYS 55 -7.824 -16.067 -1.980 452 HB2 LYS 55 1HB LYS 55 -8.871 -15.466 -4.750 453 HB3 LYS 55 2HB LYS 55 -7.504 -16.532 -4.439 454 HG2 LYS 55 1HG LYS 55 -8.917 -17.984 -3.053 455 HG3 LYS 55 2HG LYS 55 -10.283 -16.889 -3.269 456 HD2 LYS 55 1HD LYS 55 -10.677 -18.582 -4.868 457 HD3 LYS 55 2HD LYS 55 -9.947 -17.285 -5.811 458 HE2 LYS 55 1HE LYS 55 -7.770 -18.393 -5.722 459 HE3 LYS 55 2HE LYS 55 -8.411 -19.630 -4.645 460 HZ1 LYS 55 3HZ LYS 55 -9.837 -20.417 -6.354 461 HZ2 LYS 55 1HZ LYS 55 -8.280 -20.297 -7.012 462 HZ3 LYS 55 2HZ LYS 55 -9.446 -19.117 -7.375 463 H LYS 56 H LYS 56 -8.182 -13.050 -3.764 464 HA LYS 56 HA LYS 56 -5.506 -12.675 -4.511 465 HB2 LYS 56 1HB LYS 56 -7.601 -10.600 -3.817 466 HB3 LYS 56 2HB LYS 56 -6.115 -10.289 -4.699 467 HG2 LYS 56 1HG LYS 56 -8.272 -12.193 -5.649 468 HG3 LYS 56 2HG LYS 56 -8.143 -10.516 -6.166 469 HD2 LYS 56 1HD LYS 56 -5.884 -10.990 -7.088 470 HD3 LYS 56 2HD LYS 56 -6.055 -12.678 -6.618 471 HE2 LYS 56 1HE LYS 56 -8.058 -12.888 -8.027 472 HE3 LYS 56 2HE LYS 56 -7.891 -11.202 -8.513 473 HZ1 LYS 56 3HZ LYS 56 -5.737 -11.712 -9.462 474 HZ2 LYS 56 1HZ LYS 56 -6.932 -12.705 -10.145 475 HZ3 LYS 56 2HZ LYS 56 -5.874 -13.332 -8.972 476 H MET 57 H MET 57 -7.262 -11.838 -1.561 477 HA MET 57 HA MET 57 -5.175 -10.379 -0.329 478 HB2 MET 57 1HB MET 57 -7.787 -10.814 0.251 479 HB3 MET 57 2HB MET 57 -7.056 -11.930 1.397 480 HG2 MET 57 1HG MET 57 -6.464 -8.975 1.139 481 HG3 MET 57 2HG MET 57 -7.334 -9.743 2.446 482 HE1 MET 57 3HE MET 57 -6.550 -11.662 3.626 483 HE2 MET 57 1HE MET 57 -4.995 -11.661 4.464 484 HE3 MET 57 2HE MET 57 -5.182 -12.540 2.950 485 H GLU 58 H GLU 58 -6.044 -13.794 -0.326 486 HA GLU 58 HA GLU 58 -4.299 -14.726 1.662 487 HB2 GLU 58 1HB GLU 58 -5.219 -16.057 -0.900 488 HB3 GLU 58 2HB GLU 58 -4.374 -16.890 0.400 489 HG2 GLU 58 1HG GLU 58 -6.156 -16.351 1.967 490 HG3 GLU 58 2HG GLU 58 -6.983 -15.388 0.744 491 H GLU 59 H GLU 59 -3.715 -13.859 -1.705 492 HA GLU 59 HA GLU 59 -1.124 -14.979 -1.987 493 HB2 GLU 59 1HB GLU 59 -2.171 -12.456 -3.298 494 HB3 GLU 59 2HB GLU 59 -0.904 -13.513 -3.898 495 HG2 GLU 59 1HG GLU 59 -3.576 -14.778 -3.385 496 HG3 GLU 59 2HG GLU 59 -3.464 -13.706 -4.762 497 H VAL 60 H VAL 60 -2.269 -11.765 -1.022 498 HA VAL 60 HA VAL 60 0.266 -10.565 -0.609 499 HB VAL 60 HB VAL 60 -2.482 -9.984 0.533 500 HG11 VAL 60 1HG1 VAL 60 -1.497 -7.744 1.120 501 HG12 VAL 60 2HG1 VAL 60 0.095 -8.415 0.785 502 HG13 VAL 60 3HG1 VAL 60 -0.876 -9.067 2.103 503 HG21 VAL 60 3HG2 VAL 60 -2.176 -7.978 -1.054 504 HG22 VAL 60 1HG2 VAL 60 -2.452 -9.548 -1.807 505 HG23 VAL 60 2HG2 VAL 60 -0.825 -8.875 -1.742 506 H LYS 61 H LYS 61 -1.983 -12.172 1.586 507 HA LYS 61 HA LYS 61 -0.517 -11.876 3.970 508 HB2 LYS 61 1HB LYS 61 -2.861 -12.444 3.935 509 HB3 LYS 61 2HB LYS 61 -2.536 -13.946 3.079 510 HG2 LYS 61 1HG LYS 61 -1.242 -14.756 5.046 511 HG3 LYS 61 2HG LYS 61 -1.619 -13.252 5.891 512 HD2 LYS 61 1HD LYS 61 -4.000 -13.727 5.772 513 HD3 LYS 61 2HD LYS 61 -3.699 -15.163 4.794 514 HE2 LYS 61 1HE LYS 61 -4.085 -15.827 7.102 515 HE3 LYS 61 2HE LYS 61 -2.400 -16.129 6.685 516 HZ1 LYS 61 3HZ LYS 61 -2.772 -13.490 7.696 517 HZ2 LYS 61 1HZ LYS 61 -1.725 -14.711 8.235 518 HZ3 LYS 61 2HZ LYS 61 -3.325 -14.654 8.802 519 H ALA 62 H ALA 62 -0.568 -14.497 1.577 520 HA ALA 62 HA ALA 62 1.413 -16.035 3.033 521 HB1 ALA 62 3HB ALA 62 0.111 -16.425 0.329 522 HB2 ALA 62 1HB ALA 62 -0.300 -17.244 1.837 523 HB3 ALA 62 2HB ALA 62 1.250 -17.559 1.056 524 H ALA 63 H ALA 63 1.658 -13.290 1.301 525 HA ALA 63 HA ALA 63 4.192 -14.043 -0.037 526 HB1 ALA 63 3HB ALA 63 2.706 -13.012 -1.581 527 HB2 ALA 63 1HB ALA 63 3.903 -11.788 -1.155 528 HB3 ALA 63 2HB ALA 63 2.291 -11.730 -0.443 529 H ASN 64 H ASN 64 2.932 -12.593 2.718 530 HA ASN 64 HA ASN 64 3.871 -11.441 4.438 531 HB2 ASN 64 1HB ASN 64 5.696 -13.216 3.898 532 HB3 ASN 64 2HB ASN 64 6.589 -11.862 3.215 533 HD21 ASN 64 2HD2 ASN 64 4.427 -11.834 6.072 534 HD22 ASN 64 1HD2 ASN 64 5.634 -11.366 7.176 535 H VAL 65 H VAL 65 2.802 -9.708 2.903 536 HA VAL 65 HA VAL 65 4.797 -7.546 2.534 537 HB VAL 65 HB VAL 65 2.374 -8.144 0.815 538 HG11 VAL 65 1HG1 VAL 65 4.464 -5.954 0.583 539 HG12 VAL 65 2HG1 VAL 65 2.797 -5.699 1.098 540 HG13 VAL 65 3HG1 VAL 65 3.141 -6.239 -0.542 541 HG21 VAL 65 3HG2 VAL 65 5.314 -8.135 0.125 542 HG22 VAL 65 1HG2 VAL 65 3.983 -8.611 -0.929 543 HG23 VAL 65 2HG2 VAL 65 4.391 -9.598 0.476 544 H ARG 66 H ARG 66 4.355 -5.815 3.760 545 HA ARG 66 HA ARG 66 2.054 -5.729 5.430 546 HB2 ARG 66 1HB ARG 66 4.114 -4.628 6.144 547 HB3 ARG 66 2HB ARG 66 4.043 -3.539 4.757 548 HG2 ARG 66 1HG ARG 66 2.029 -2.502 5.563 549 HG3 ARG 66 2HG ARG 66 1.841 -3.723 6.823 550 HD2 ARG 66 1HD ARG 66 2.784 -1.544 7.656 551 HD3 ARG 66 2HD ARG 66 3.810 -2.938 7.979 552 HE ARG 66 HE ARG 66 4.452 -1.588 5.507 553 HH11 ARG 66 1HH2 ARG 66 4.841 -1.642 8.947 554 HH12 ARG 66 2HH2 ARG 66 6.408 -0.903 8.920 555 HH21 ARG 66 1HH1 ARG 66 6.519 -0.623 5.474 556 HH22 ARG 66 2HH1 ARG 66 7.357 -0.332 6.959 557 H VAL 67 H VAL 67 0.228 -4.460 5.318 558 HA VAL 67 HA VAL 67 -0.448 -3.526 2.592 559 HB VAL 67 HB VAL 67 -2.308 -4.242 4.864 560 HG11 VAL 67 1HG1 VAL 67 -3.954 -4.355 3.000 561 HG12 VAL 67 2HG1 VAL 67 -2.697 -3.791 1.896 562 HG13 VAL 67 3HG1 VAL 67 -3.275 -2.739 3.190 563 HG21 VAL 67 3HG2 VAL 67 -1.016 -6.208 4.187 564 HG22 VAL 67 1HG2 VAL 67 -1.334 -5.859 2.489 565 HG23 VAL 67 2HG2 VAL 67 -2.655 -6.340 3.550 566 H VAL 68 H VAL 68 -0.929 -1.479 2.201 567 HA VAL 68 HA VAL 68 -1.485 0.346 4.468 568 HB VAL 68 HB VAL 68 -0.166 2.086 3.253 569 HG11 VAL 68 1HG1 VAL 68 1.917 1.396 4.132 570 HG12 VAL 68 2HG1 VAL 68 1.600 -0.307 3.805 571 HG13 VAL 68 3HG1 VAL 68 0.747 0.518 5.111 572 HG21 VAL 68 3HG2 VAL 68 1.406 1.328 1.504 573 HG22 VAL 68 1HG2 VAL 68 -0.264 1.043 1.011 574 HG23 VAL 68 2HG2 VAL 68 0.723 -0.296 1.596 575 H CYS 69 H CYS 69 -2.679 2.226 3.890 576 HA CYS 69 HA CYS 69 -4.657 1.665 1.830 577 HB2 CYS 69 1HB CYS 69 -6.067 2.998 3.062 578 HB3 CYS 69 2HB CYS 69 -4.925 2.574 4.327 579 HG CYS 69 HG CYS 69 -3.918 5.059 3.024 580 H GLU 70 H GLU 70 -5.388 3.339 0.348 581 HA GLU 70 HA GLU 70 -3.304 4.381 -1.241 582 HB2 GLU 70 1HB GLU 70 -6.279 4.931 -1.217 583 HB3 GLU 70 2HB GLU 70 -5.183 5.627 -2.407 584 HG2 GLU 70 1HG GLU 70 -5.991 3.704 -3.480 585 HG3 GLU 70 2HG GLU 70 -4.438 3.178 -2.843 586 H ASP 71 H ASP 71 -5.337 5.880 1.224 587 HA ASP 71 HA ASP 71 -4.666 8.558 0.653 588 HB2 ASP 71 1HB ASP 71 -5.371 7.351 3.336 589 HB3 ASP 71 2HB ASP 71 -5.445 9.053 2.911 590 H PHE 72 H PHE 72 -2.820 6.008 1.795 591 HA PHE 72 HA PHE 72 -0.968 7.249 3.536 592 HB2 PHE 72 1HB PHE 72 -1.129 4.784 3.141 593 HB3 PHE 72 2HB PHE 72 -0.450 5.037 1.535 594 HD1 PHE 72 HD2 PHE 72 1.856 6.082 1.309 595 HD2 PHE 72 HD1 PHE 72 0.269 4.712 5.065 596 HE1 PHE 72 HE2 PHE 72 4.142 6.014 2.257 597 HE2 PHE 72 HE1 PHE 72 2.559 4.664 6.010 598 HZ PHE 72 HZ PHE 72 4.497 5.314 4.609 599 H LEU 73 H LEU 73 -1.072 6.823 0.031 600 HA LEU 73 HA LEU 73 1.405 8.009 -0.592 601 HB2 LEU 73 1HB LEU 73 -1.170 7.867 -2.186 602 HB3 LEU 73 2HB LEU 73 0.381 8.374 -2.844 603 HG LEU 73 HG LEU 73 -0.158 5.673 -1.580 604 HD11 LEU 73 1HD1 LEU 73 -1.359 5.858 -3.677 605 HD12 LEU 73 2HD1 LEU 73 0.076 4.867 -3.944 606 HD13 LEU 73 3HD1 LEU 73 0.058 6.550 -4.471 607 HD21 LEU 73 3HD2 LEU 73 2.142 5.945 -1.331 608 HD22 LEU 73 1HD2 LEU 73 2.270 7.027 -2.718 609 HD23 LEU 73 2HD2 LEU 73 2.093 5.290 -2.965 610 H GLN 74 H GLN 74 -1.840 9.325 -0.208 611 HA GLN 74 HA GLN 74 -1.261 11.986 -0.990 612 HB2 GLN 74 1HB GLN 74 -3.337 11.063 1.011 613 HB3 GLN 74 2HB GLN 74 -3.368 12.546 0.057 614 HG2 GLN 74 1HG GLN 74 -3.489 9.722 -1.035 615 HG3 GLN 74 2HG GLN 74 -4.840 10.849 -0.935 616 HE21 GLN 74 2HE2 GLN 74 -2.766 9.607 -3.135 617 HE22 GLN 74 1HE2 GLN 74 -2.651 10.913 -4.212 618 H ASP 75 H ASP 75 -1.166 10.270 2.088 619 HA ASP 75 HA ASP 75 -0.736 12.454 3.800 620 HB2 ASP 75 1HB ASP 75 -0.023 9.533 4.006 621 HB3 ASP 75 2HB ASP 75 0.268 10.676 5.312 622 H VAL 76 H VAL 76 1.700 10.237 2.334 623 HA VAL 76 HA VAL 76 3.899 11.638 3.479 624 HB VAL 76 HB VAL 76 5.275 10.482 1.749 625 HG11 VAL 76 1HG1 VAL 76 4.793 8.200 2.587 626 HG12 VAL 76 2HG1 VAL 76 3.278 8.785 3.273 627 HG13 VAL 76 3HG1 VAL 76 4.819 9.391 3.881 628 HG21 VAL 76 3HG2 VAL 76 2.549 9.488 0.866 629 HG22 VAL 76 1HG2 VAL 76 4.075 8.760 0.365 630 HG23 VAL 76 2HG2 VAL 76 3.700 10.422 -0.090 631 H SER 77 H SER 77 2.146 11.866 0.473 632 HA SER 77 HA SER 77 3.835 13.638 -0.907 633 HB2 SER 77 1HB SER 77 0.850 13.222 -1.045 634 HB3 SER 77 2HB SER 77 1.732 14.270 -2.153 635 HG SER 77 HG SER 77 1.870 11.479 -1.807 636 H ALA 78 H ALA 78 1.222 14.274 1.418 637 HA ALA 78 HA ALA 78 1.881 17.166 1.310 638 HB1 ALA 78 3HB ALA 78 -0.427 16.789 0.812 639 HB2 ALA 78 1HB ALA 78 -0.342 17.439 2.447 640 HB3 ALA 78 2HB ALA 78 -0.613 15.712 2.197 641 H SER 79 H SER 79 0.745 14.800 3.747 642 HA SER 79 HA SER 79 1.489 16.334 5.967 643 HB2 SER 79 1HB SER 79 0.892 14.501 7.260 644 HB3 SER 79 2HB SER 79 0.026 14.167 5.766 645 HG SER 79 HG SER 79 1.106 12.359 5.865 646 H ALA 80 H ALA 80 3.315 13.779 4.278 647 HA ALA 80 HA ALA 80 5.527 13.136 4.424 648 HB1 ALA 80 3HB ALA 80 7.095 14.951 4.277 649 HB2 ALA 80 1HB ALA 80 5.958 16.059 5.047 650 HB3 ALA 80 2HB ALA 80 5.628 15.440 3.429 651 H LYS 81 H LYS 81 4.051 12.919 6.960 652 HA LYS 81 HA LYS 81 5.818 13.828 9.056 653 HB2 LYS 81 1HB LYS 81 3.570 11.812 9.151 654 HB3 LYS 81 2HB LYS 81 4.360 12.541 10.550 655 HG2 LYS 81 1HG LYS 81 3.703 14.770 9.721 656 HG3 LYS 81 2HG LYS 81 2.843 13.993 8.412 657 HD2 LYS 81 1HD LYS 81 2.251 13.476 11.335 658 HD3 LYS 81 2HD LYS 81 1.365 14.639 10.350 659 HE2 LYS 81 1HE LYS 81 0.914 12.695 8.734 660 HE3 LYS 81 2HE LYS 81 1.479 11.637 10.024 661 HZ1 LYS 81 3HZ LYS 81 -0.185 12.838 11.476 662 HZ2 LYS 81 1HZ LYS 81 -0.808 11.766 10.317 663 HZ3 LYS 81 2HZ LYS 81 -0.858 13.441 10.038 664 H SER 82 H SER 82 5.978 11.815 10.759 665 HA SER 82 HA SER 82 8.259 10.348 9.894 666 HB2 SER 82 1HB SER 82 6.435 9.829 12.253 667 HB3 SER 82 2HB SER 82 8.014 9.094 12.005 668 HG SER 82 HG SER 82 7.557 11.894 12.109 669 H LEU 83 H LEU 83 8.500 8.262 9.204 670 HA LEU 83 HA LEU 83 6.369 7.128 7.751 671 HB2 LEU 83 1HB LEU 83 9.002 5.956 8.657 672 HB3 LEU 83 2HB LEU 83 7.876 5.132 7.592 673 HG LEU 83 HG LEU 83 8.063 7.528 6.276 674 HD11 LEU 83 1HD1 LEU 83 10.794 7.031 7.494 675 HD12 LEU 83 2HD1 LEU 83 9.735 8.380 7.901 676 HD13 LEU 83 3HD1 LEU 83 10.406 8.244 6.275 677 HD21 LEU 83 3HD2 LEU 83 9.631 6.407 4.754 678 HD22 LEU 83 1HD2 LEU 83 8.398 5.275 5.309 679 HD23 LEU 83 2HD2 LEU 83 10.018 5.223 6.002 680 H GLN 84 H GLN 84 7.741 6.291 10.905 681 HA GLN 84 HA GLN 84 6.161 3.986 11.327 682 HB2 GLN 84 1HB GLN 84 7.379 5.866 13.362 683 HB3 GLN 84 2HB GLN 84 6.795 4.235 13.689 684 HG2 GLN 84 1HG GLN 84 9.012 4.941 11.741 685 HG3 GLN 84 2HG GLN 84 9.254 4.279 13.356 686 HE21 GLN 84 2HE2 GLN 84 9.067 3.370 10.144 687 HE22 GLN 84 1HE2 GLN 84 8.610 1.748 10.353 688 H GLU 85 H GLU 85 5.649 7.392 12.132 689 HA GLU 85 HA GLU 85 3.319 7.055 13.689 690 HB2 GLU 85 1HB GLU 85 4.666 9.134 13.613 691 HB3 GLU 85 2HB GLU 85 4.102 9.421 11.967 692 HG2 GLU 85 1HG GLU 85 1.778 9.512 12.761 693 HG3 GLU 85 2HG GLU 85 2.318 9.180 14.409 694 H LEU 86 H LEU 86 3.808 7.361 10.202 695 HA LEU 86 HA LEU 86 1.097 7.738 9.511 696 HB2 LEU 86 1HB LEU 86 3.409 6.559 7.972 697 HB3 LEU 86 2HB LEU 86 1.820 6.817 7.264 698 HG LEU 86 HG LEU 86 3.406 9.015 8.619 699 HD11 LEU 86 1HD1 LEU 86 3.161 8.501 5.645 700 HD12 LEU 86 2HD1 LEU 86 4.572 8.067 6.604 701 HD13 LEU 86 3HD1 LEU 86 4.114 9.761 6.434 702 HD21 LEU 86 3HD2 LEU 86 1.808 10.345 6.963 703 HD22 LEU 86 1HD2 LEU 86 1.222 9.814 8.534 704 HD23 LEU 86 2HD2 LEU 86 0.820 8.893 7.087 705 H LEU 87 H LEU 87 3.004 4.775 9.998 706 HA LEU 87 HA LEU 87 1.043 2.929 9.079 707 HB2 LEU 87 1HB LEU 87 2.849 2.231 11.411 708 HB3 LEU 87 2HB LEU 87 2.350 1.242 10.041 709 HG LEU 87 HG LEU 87 4.277 3.529 9.987 710 HD11 LEU 87 1HD1 LEU 87 4.635 0.549 9.673 711 HD12 LEU 87 2HD1 LEU 87 5.266 1.573 10.963 712 HD13 LEU 87 3HD1 LEU 87 5.892 1.734 9.323 713 HD21 LEU 87 3HD2 LEU 87 4.655 2.968 7.623 714 HD22 LEU 87 1HD2 LEU 87 2.972 3.407 7.874 715 HD23 LEU 87 2HD2 LEU 87 3.422 1.711 7.710 716 H SER 88 H SER 88 1.539 4.684 12.019 717 HA SER 88 HA SER 88 0.098 3.173 13.831 718 HB2 SER 88 1HB SER 88 0.086 5.069 15.238 719 HB3 SER 88 2HB SER 88 1.523 5.270 14.239 720 HG SER 88 HG SER 88 0.634 7.119 13.777 721 H ALA 89 H ALA 89 -1.009 5.517 11.471 722 HA ALA 89 HA ALA 89 -3.826 5.010 12.270 723 HB1 ALA 89 3HB ALA 89 -2.549 7.355 10.849 724 HB2 ALA 89 1HB ALA 89 -3.246 7.342 12.466 725 HB3 ALA 89 2HB ALA 89 -4.289 7.152 11.056 726 H HIS 90 H HIS 90 -1.581 4.027 10.044 727 HA HIS 90 HA HIS 90 -3.675 3.567 7.987 728 HB2 HIS 90 1HB HIS 90 -0.767 4.229 7.509 729 HB3 HIS 90 2HB HIS 90 -1.966 3.863 6.262 730 HD1 HIS 90 HD1 HIS 90 -4.364 5.455 7.155 731 HD2 HIS 90 HD2 HIS 90 -0.492 6.975 7.387 732 HE1 HIS 90 HE1 HIS 90 -4.591 7.976 7.259 733 HE2 HIS 90 HE2 HIS 90 -2.236 8.919 7.376 734 H SER 91 H SER 91 -1.826 1.998 10.199 735 HA SER 91 HA SER 91 -0.779 -0.109 8.566 736 HB2 SER 91 1HB SER 91 -0.559 -1.293 10.806 737 HB3 SER 91 2HB SER 91 0.337 0.201 10.602 738 HG SER 91 HG SER 91 -1.475 -0.392 12.440 739 H LEU 92 H LEU 92 -2.250 -1.072 7.399 740 HA LEU 92 HA LEU 92 -4.802 -1.955 8.512 741 HB2 LEU 92 1HB LEU 92 -3.576 -2.406 5.779 742 HB3 LEU 92 2HB LEU 92 -5.240 -2.755 6.241 743 HG LEU 92 HG LEU 92 -3.942 -0.008 6.274 744 HD11 LEU 92 1HD1 LEU 92 -5.862 -1.379 4.375 745 HD12 LEU 92 2HD1 LEU 92 -4.270 -0.711 4.010 746 HD13 LEU 92 3HD1 LEU 92 -5.612 0.368 4.393 747 HD21 LEU 92 3HD2 LEU 92 -6.564 0.527 6.431 748 HD22 LEU 92 1HD2 LEU 92 -5.611 0.206 7.878 749 HD23 LEU 92 2HD2 LEU 92 -6.605 -1.065 7.178 750 H SER 93 H SER 93 -1.632 -3.100 8.280 751 HA SER 93 HA SER 93 -2.461 -5.789 9.100 752 HB2 SER 93 1HB SER 93 -0.750 -5.225 6.675 753 HB3 SER 93 2HB SER 93 -0.823 -6.797 7.468 754 HG SER 93 HG SER 93 -3.051 -5.345 6.462 755 H SER 94 H SER 94 -0.769 -6.997 10.116 756 HA SER 94 HA SER 94 1.367 -5.268 11.225 757 HB2 SER 94 1HB SER 94 1.411 -6.829 13.105 758 HB3 SER 94 2HB SER 94 -0.212 -6.191 12.867 759 HG SER 94 HG SER 94 0.616 -8.727 12.835 760 H TRP 95 H TRP 95 0.968 -7.556 8.881 761 HA TRP 95 HA TRP 95 3.549 -8.898 9.396 762 HB2 TRP 95 1HB TRP 95 2.872 -10.542 7.800 763 HB3 TRP 95 2HB TRP 95 1.508 -10.251 8.870 764 HD1 TRP 95 HD1 TRP 95 2.761 -9.108 5.399 765 HE1 TRP 95 HE1 TRP 95 0.693 -8.678 3.917 766 HE3 TRP 95 HE3 TRP 95 -0.958 -9.915 8.801 767 HZ2 TRP 95 HZ2 TRP 95 -2.163 -8.670 4.142 768 HZ3 TRP 95 HZ3 TRP 95 -3.339 -9.695 8.146 769 HH2 TRP 95 HH2 TRP 95 -3.950 -9.073 5.821 770 H GLY 96 H GLY 96 4.900 -9.297 7.392 771 HA2 GLY 96 1HA GLY 96 5.206 -8.293 5.044 772 HA3 GLY 96 2HA GLY 96 5.147 -6.753 5.895 773 H ALA 97 H ALA 97 6.801 -9.896 6.315 774 HA ALA 97 HA ALA 97 8.959 -10.370 6.993 775 HB1 ALA 97 3HB ALA 97 9.309 -9.862 4.643 776 HB2 ALA 97 1HB ALA 97 10.669 -9.271 5.596 777 HB3 ALA 97 2HB ALA 97 9.445 -8.143 5.015 778 H GLU 98 H GLU 98 7.979 -9.054 9.033 779 HA GLU 98 HA GLU 98 8.981 -6.571 9.760 780 HB2 GLU 98 1HB GLU 98 8.502 -9.048 11.391 781 HB3 GLU 98 2HB GLU 98 8.854 -7.482 12.111 782 HG2 GLU 98 1HG GLU 98 6.520 -8.098 10.268 783 HG3 GLU 98 2HG GLU 98 6.417 -7.955 12.019 784 H VAL 99 H VAL 99 10.850 -5.917 10.909 785 HA VAL 99 HA VAL 99 13.258 -6.880 9.963 786 HB VAL 99 HB VAL 99 14.241 -5.608 11.997 787 HG11 VAL 99 1HG1 VAL 99 14.134 -4.539 9.852 788 HG12 VAL 99 2HG1 VAL 99 13.452 -3.405 11.018 789 HG13 VAL 99 3HG1 VAL 99 12.385 -4.336 9.969 790 HG21 VAL 99 3HG2 VAL 99 12.765 -4.403 13.379 791 HG22 VAL 99 1HG2 VAL 99 11.954 -5.962 13.224 792 HG23 VAL 99 2HG2 VAL 99 11.411 -4.586 12.263 793 H LYS 100 H LYS 100 13.381 -9.109 10.167 794 HA LYS 100 HA LYS 100 14.232 -10.074 12.834 795 HB2 LYS 100 1HB LYS 100 12.587 -11.498 10.734 796 HB3 LYS 100 2HB LYS 100 13.252 -12.262 12.185 797 HG2 LYS 100 1HG LYS 100 12.034 -10.684 13.608 798 HG3 LYS 100 2HG LYS 100 11.402 -9.872 12.175 799 HD2 LYS 100 1HD LYS 100 10.221 -11.866 11.500 800 HD3 LYS 100 2HD LYS 100 10.915 -12.775 12.850 801 HE2 LYS 100 1HE LYS 100 9.863 -11.234 14.430 802 HE3 LYS 100 2HE LYS 100 9.164 -10.324 13.114 803 HZ1 LYS 100 3HZ LYS 100 8.248 -12.741 14.302 804 HZ2 LYS 100 1HZ LYS 100 8.438 -12.918 12.624 805 HZ3 LYS 100 2HZ LYS 100 7.441 -11.689 13.239 806 H HIS 101 H HIS 101 15.050 -9.400 9.691 807 HA HIS 101 HA HIS 101 16.618 -11.635 8.932 808 HB2 HIS 101 1HB HIS 101 16.805 -8.718 8.159 809 HB3 HIS 101 2HB HIS 101 17.697 -10.014 7.366 810 HD1 HIS 101 HD1 HIS 101 15.631 -8.368 5.771 811 HD2 HIS 101 HD2 HIS 101 14.705 -11.954 7.698 812 HE1 HIS 101 HE1 HIS 101 13.556 -9.280 4.641 813 HE2 HIS 101 HE2 HIS 101 12.983 -11.463 5.805 814 H HIS 102 H HIS 102 17.558 -8.534 10.423 815 HA HIS 102 HA HIS 102 19.440 -9.493 12.211 816 HB2 HIS 102 1HB HIS 102 21.570 -8.840 10.882 817 HB3 HIS 102 2HB HIS 102 20.851 -10.407 10.552 818 HD1 HIS 102 HD1 HIS 102 22.121 -10.043 8.161 819 HD2 HIS 102 HD2 HIS 102 18.826 -7.594 8.882 820 HE1 HIS 102 HE1 HIS 102 21.409 -9.112 5.915 821 HE2 HIS 102 HE2 HIS 102 19.420 -7.595 6.346 822 H HIS 103 H HIS 103 20.916 -7.768 13.024 823 HA HIS 103 HA HIS 103 19.605 -5.172 12.856 824 HB2 HIS 103 1HB HIS 103 21.967 -6.173 14.469 825 HB3 HIS 103 2HB HIS 103 21.341 -4.526 14.559 826 HD1 HIS 103 HD1 HIS 103 18.802 -4.284 15.373 827 HD2 HIS 103 HD2 HIS 103 20.489 -8.052 15.930 828 HE1 HIS 103 HE1 HIS 103 17.309 -5.500 17.018 829 HE2 HIS 103 HE2 HIS 103 18.331 -7.797 17.376 830 H HIS 104 H HIS 104 22.762 -6.598 12.143 831 HA HIS 104 HA HIS 104 23.154 -4.902 9.874 832 HB2 HIS 104 1HB HIS 104 25.302 -3.899 10.730 833 HB3 HIS 104 2HB HIS 104 23.836 -3.237 11.450 834 HD1 HIS 104 HD1 HIS 104 26.593 -5.746 12.214 835 HD2 HIS 104 HD2 HIS 104 23.697 -3.509 14.210 836 HE1 HIS 104 HE1 HIS 104 27.051 -6.027 14.690 837 HE2 HIS 104 HE2 HIS 104 25.286 -4.678 15.920 838 H HIS 105 H HIS 105 25.103 -5.453 8.684 839 HA HIS 105 HA HIS 105 25.744 -8.265 8.974 840 HB2 HIS 105 1HB HIS 105 26.924 -8.016 6.879 841 HB3 HIS 105 2HB HIS 105 25.379 -7.178 6.755 842 HD1 HIS 105 HD1 HIS 105 28.899 -6.667 6.173 843 HD2 HIS 105 HD2 HIS 105 25.739 -4.238 7.387 844 HE1 HIS 105 HE1 HIS 105 29.620 -4.280 5.733 845 HE2 HIS 105 HE2 HIS 105 27.719 -2.785 6.500 846 H HIS 106 H HIS 106 27.651 -9.151 9.596 847 HA HIS 106 HA HIS 106 29.296 -7.712 11.387 848 HB2 HIS 106 1HB HIS 106 29.801 -10.359 10.010 849 HB3 HIS 106 2HB HIS 106 30.682 -9.750 11.412 850 HD1 HIS 106 HD1 HIS 106 29.114 -9.240 13.590 851 HD2 HIS 106 HD2 HIS 106 27.474 -11.717 10.662 852 HE1 HIS 106 HE1 HIS 106 27.153 -10.426 14.669 853 HE2 HIS 106 HE2 HIS 106 26.160 -11.959 12.903
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