NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
496311 | 2l7k | 17359 | 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 H1 MET 1 -12.537 -10.199 2.679 2 H2 MET 1 H2 MET 1 -13.322 -9.424 3.967 3 H3 MET 1 H3 MET 1 -11.681 -9.828 4.093 4 HA MET 1 HA MET 1 -11.077 -8.278 2.425 5 HB2 MET 1 HB2 MET 1 -13.089 -8.501 1.023 6 HB3 MET 1 HB3 MET 1 -14.042 -7.671 2.246 7 HG2 MET 1 HG2 MET 1 -12.702 -5.654 1.918 8 HG3 MET 1 HG3 MET 1 -11.752 -6.487 0.692 9 HE1 MET 1 HE1 MET 1 -13.299 -3.667 0.412 10 HE2 MET 1 HE2 MET 1 -13.916 -3.812 -1.234 11 HE3 MET 1 HE3 MET 1 -12.279 -4.349 -0.856 12 H ILE 2 H ILE 2 -10.080 -6.725 3.479 13 HA ILE 2 HA ILE 2 -11.217 -5.641 5.921 14 HB ILE 2 HB ILE 2 -9.070 -4.480 6.211 15 HG12 ILE 2 HG12 ILE 2 -8.170 -5.857 3.664 16 HG13 ILE 2 HG13 ILE 2 -8.609 -4.155 3.750 17 HG21 ILE 2 HG21 ILE 2 -7.680 -6.480 6.519 18 HG22 ILE 2 HG22 ILE 2 -8.811 -7.405 5.532 19 HG23 ILE 2 HG23 ILE 2 -9.336 -6.728 7.073 20 HD11 ILE 2 HD11 ILE 2 -6.204 -4.455 3.814 21 HD12 ILE 2 HD12 ILE 2 -6.356 -5.478 5.243 22 HD13 ILE 2 HD13 ILE 2 -6.791 -3.770 5.330 23 H ARG 3 H ARG 3 -11.107 -3.259 6.303 24 HA ARG 3 HA ARG 3 -11.967 -1.849 3.870 25 HB2 ARG 3 HB2 ARG 3 -13.557 -2.207 5.914 26 HB3 ARG 3 HB3 ARG 3 -12.622 -0.914 6.647 27 HG2 ARG 3 HG2 ARG 3 -13.851 -0.552 3.942 28 HG3 ARG 3 HG3 ARG 3 -14.819 -0.350 5.402 29 HD2 ARG 3 HD2 ARG 3 -13.563 1.486 6.122 30 HD3 ARG 3 HD3 ARG 3 -12.208 1.088 5.066 31 HE ARG 3 HE ARG 3 -14.173 1.598 3.301 32 HH11 ARG 3 HH11 ARG 3 -13.068 3.418 6.097 33 HH12 ARG 3 HH12 ARG 3 -13.376 4.960 5.357 34 HH21 ARG 3 HH21 ARG 3 -14.540 3.591 2.341 35 HH22 ARG 3 HH22 ARG 3 -14.203 5.063 3.207 36 H LEU 4 H LEU 4 -10.481 -0.606 3.104 37 HA LEU 4 HA LEU 4 -8.615 0.766 4.910 38 HB2 LEU 4 HB2 LEU 4 -8.436 0.249 1.940 39 HB3 LEU 4 HB3 LEU 4 -7.252 1.146 2.874 40 HG LEU 4 HG LEU 4 -7.951 -1.759 3.290 41 HD11 LEU 4 HD11 LEU 4 -5.735 -2.199 2.383 42 HD12 LEU 4 HD12 LEU 4 -5.529 -0.480 2.044 43 HD13 LEU 4 HD13 LEU 4 -6.773 -1.403 1.200 44 HD21 LEU 4 HD21 LEU 4 -5.824 -0.027 4.536 45 HD22 LEU 4 HD22 LEU 4 -6.011 -1.764 4.774 46 HD23 LEU 4 HD23 LEU 4 -7.261 -0.657 5.341 47 H THR 5 H THR 5 -8.095 3.000 4.509 48 HA THR 5 HA THR 5 -10.461 4.527 3.860 49 HB THR 5 HB THR 5 -9.172 6.490 4.602 50 HG1 THR 5 HG1 THR 5 -7.037 4.763 5.299 51 HG21 THR 5 HG21 THR 5 -8.926 4.143 6.488 52 HG22 THR 5 HG22 THR 5 -10.351 5.162 6.284 53 HG23 THR 5 HG23 THR 5 -8.866 5.846 6.944 54 H ILE 6 H ILE 6 -9.993 6.704 2.641 55 HA ILE 6 HA ILE 6 -9.429 6.020 -0.050 56 HB ILE 6 HB ILE 6 -9.486 8.865 0.934 57 HG12 ILE 6 HG12 ILE 6 -11.433 7.774 1.956 58 HG13 ILE 6 HG13 ILE 6 -11.929 8.894 0.696 59 HG21 ILE 6 HG21 ILE 6 -8.909 8.531 -1.403 60 HG22 ILE 6 HG22 ILE 6 -10.482 9.316 -1.258 61 HG23 ILE 6 HG23 ILE 6 -10.388 7.600 -1.654 62 HD11 ILE 6 HD11 ILE 6 -12.287 7.009 -0.822 63 HD12 ILE 6 HD12 ILE 6 -13.259 6.877 0.645 64 HD13 ILE 6 HD13 ILE 6 -11.804 5.898 0.460 65 H GLU 7 H GLU 7 -7.574 7.698 2.447 66 HA GLU 7 HA GLU 7 -5.423 8.599 0.872 67 HB2 GLU 7 HB2 GLU 7 -5.292 7.741 3.767 68 HB3 GLU 7 HB3 GLU 7 -4.151 8.782 2.938 69 HG2 GLU 7 HG2 GLU 7 -5.337 10.351 4.041 70 HG3 GLU 7 HG3 GLU 7 -6.306 10.259 2.572 71 H GLU 8 H GLU 8 -5.945 5.607 2.649 72 HA GLU 8 HA GLU 8 -3.378 4.496 2.316 73 HB2 GLU 8 HB2 GLU 8 -6.056 3.296 2.971 74 HB3 GLU 8 HB3 GLU 8 -4.576 2.347 2.916 75 HG2 GLU 8 HG2 GLU 8 -3.617 3.874 4.630 76 HG3 GLU 8 HG3 GLU 8 -5.202 4.643 4.755 77 H THR 9 H THR 9 -6.423 3.908 0.571 78 HA THR 9 HA THR 9 -5.260 1.875 -1.078 79 HB THR 9 HB THR 9 -7.892 3.225 -1.658 80 HG1 THR 9 HG1 THR 9 -8.142 2.701 0.475 81 HG21 THR 9 HG21 THR 9 -6.912 0.385 -1.951 82 HG22 THR 9 HG22 THR 9 -7.094 1.558 -3.256 83 HG23 THR 9 HG23 THR 9 -8.516 0.977 -2.390 84 H ASN 10 H ASN 10 -5.788 5.345 -1.428 85 HA ASN 10 HA ASN 10 -5.277 5.450 -4.232 86 HB2 ASN 10 HB2 ASN 10 -6.451 7.268 -3.095 87 HB3 ASN 10 HB3 ASN 10 -5.021 7.621 -2.138 88 HD21 ASN 10 HD21 ASN 10 -3.465 8.920 -2.979 89 HD22 ASN 10 HD22 ASN 10 -3.549 9.635 -4.548 90 H LEU 11 H LEU 11 -3.205 5.548 -1.385 91 HA LEU 11 HA LEU 11 -0.807 6.209 -2.786 92 HB2 LEU 11 HB2 LEU 11 -0.996 6.533 -0.388 93 HB3 LEU 11 HB3 LEU 11 -1.230 4.813 -0.147 94 HG LEU 11 HG LEU 11 1.078 4.445 -1.052 95 HD11 LEU 11 HD11 LEU 11 1.332 6.533 -2.284 96 HD12 LEU 11 HD12 LEU 11 2.618 6.330 -1.094 97 HD13 LEU 11 HD13 LEU 11 1.284 7.436 -0.770 98 HD21 LEU 11 HD21 LEU 11 2.175 5.139 1.000 99 HD22 LEU 11 HD22 LEU 11 0.591 4.427 1.311 100 HD23 LEU 11 HD23 LEU 11 0.802 6.177 1.379 101 H LEU 12 H LEU 12 -2.414 3.188 -1.946 102 HA LEU 12 HA LEU 12 -0.425 1.420 -2.911 103 HB2 LEU 12 HB2 LEU 12 -3.405 0.991 -2.801 104 HB3 LEU 12 HB3 LEU 12 -2.192 -0.257 -2.989 105 HG LEU 12 HG LEU 12 -2.592 1.461 -0.545 106 HD11 LEU 12 HD11 LEU 12 -4.388 -0.137 -0.896 107 HD12 LEU 12 HD12 LEU 12 -3.380 -0.627 0.466 108 HD13 LEU 12 HD13 LEU 12 -3.215 -1.439 -1.091 109 HD21 LEU 12 HD21 LEU 12 -0.722 -0.865 -1.014 110 HD22 LEU 12 HD22 LEU 12 -0.963 -0.020 0.517 111 HD23 LEU 12 HD23 LEU 12 -0.243 0.825 -0.856 112 H SER 13 H SER 13 -3.001 3.201 -4.451 113 HA SER 13 HA SER 13 -3.102 1.865 -6.930 114 HB2 SER 13 HB2 SER 13 -4.784 3.480 -5.950 115 HB3 SER 13 HB3 SER 13 -3.691 4.784 -6.402 116 HG SER 13 HG SER 13 -5.522 3.913 -7.887 117 H ILE 14 H ILE 14 -0.888 4.204 -5.638 118 HA ILE 14 HA ILE 14 0.194 5.168 -8.093 119 HB ILE 14 HB ILE 14 1.340 5.221 -5.284 120 HG12 ILE 14 HG12 ILE 14 -0.157 7.395 -6.759 121 HG13 ILE 14 HG13 ILE 14 -0.921 6.288 -5.627 122 HG21 ILE 14 HG21 ILE 14 2.083 6.909 -7.676 123 HG22 ILE 14 HG22 ILE 14 3.082 5.655 -6.936 124 HG23 ILE 14 HG23 ILE 14 2.687 7.119 -6.029 125 HD11 ILE 14 HD11 ILE 14 1.275 8.235 -4.970 126 HD12 ILE 14 HD12 ILE 14 0.487 7.138 -3.836 127 HD13 ILE 14 HD13 ILE 14 -0.438 8.431 -4.601 128 H TYR 15 H TYR 15 0.854 2.370 -6.050 129 HA TYR 15 HA TYR 15 3.201 1.709 -7.720 130 HB2 TYR 15 HB2 TYR 15 2.830 1.318 -4.749 131 HB3 TYR 15 HB3 TYR 15 4.117 0.548 -5.668 132 HD1 TYR 15 HD2 TYR 15 5.859 1.953 -6.749 133 HD2 TYR 15 HD1 TYR 15 2.993 3.602 -4.078 134 HE1 TYR 15 HE2 TYR 15 7.271 3.940 -6.475 135 HE2 TYR 15 HE1 TYR 15 4.401 5.600 -3.792 136 HH TYR 15 HH TYR 15 7.013 6.311 -5.839 137 H ASN 16 H ASN 16 0.154 0.750 -7.336 138 HA ASN 16 HA ASN 16 0.211 -1.985 -6.744 139 HB2 ASN 16 HB2 ASN 16 -1.847 -0.627 -6.748 140 HB3 ASN 16 HB3 ASN 16 -1.751 -0.483 -8.496 141 HD21 ASN 16 HD21 ASN 16 -3.705 -1.449 -8.880 142 HD22 ASN 16 HD22 ASN 16 -4.007 -3.128 -8.607 143 H GLU 17 H GLU 17 1.499 -3.357 -7.756 144 HA GLU 17 HA GLU 17 0.958 -4.143 -10.446 145 HB2 GLU 17 HB2 GLU 17 2.537 -2.168 -10.702 146 HB3 GLU 17 HB3 GLU 17 3.746 -3.126 -9.856 147 HG2 GLU 17 HG2 GLU 17 3.778 -4.747 -11.604 148 HG3 GLU 17 HG3 GLU 17 2.406 -3.979 -12.405 149 H GLY 18 H GLY 18 1.147 -6.318 -10.425 150 HA2 GLY 18 HA2 GLY 18 2.084 -8.405 -10.060 151 HA3 GLY 18 HA3 GLY 18 3.402 -7.625 -9.204 152 H GLY 19 H GLY 19 -0.046 -7.355 -8.466 153 HA2 GLY 19 HA2 GLY 19 -1.287 -8.116 -6.672 154 HA3 GLY 19 HA3 GLY 19 0.036 -9.202 -6.262 155 H LYS 20 H LYS 20 -0.047 -8.742 -4.065 156 HA LYS 20 HA LYS 20 0.486 -5.985 -3.266 157 HB2 LYS 20 HB2 LYS 20 0.078 -6.700 -0.975 158 HB3 LYS 20 HB3 LYS 20 -1.232 -7.189 -2.027 159 HG2 LYS 20 HG2 LYS 20 -1.071 -9.134 -0.955 160 HG3 LYS 20 HG3 LYS 20 0.279 -9.432 -2.049 161 HD2 LYS 20 HD2 LYS 20 1.805 -8.481 -0.328 162 HD3 LYS 20 HD3 LYS 20 0.425 -8.351 0.764 163 HE2 LYS 20 HE2 LYS 20 1.643 -10.356 1.265 164 HE3 LYS 20 HE3 LYS 20 0.086 -10.787 0.562 165 HZ1 LYS 20 HZ1 LYS 20 1.260 -11.063 -1.592 166 HZ2 LYS 20 HZ2 LYS 20 1.752 -12.160 -0.398 167 HZ3 LYS 20 HZ3 LYS 20 2.728 -10.830 -0.779 168 H ARG 21 H ARG 21 2.108 -8.936 -3.785 169 HA ARG 21 HA ARG 21 4.431 -8.509 -2.251 170 HB2 ARG 21 HB2 ARG 21 3.627 -10.260 -4.467 171 HB3 ARG 21 HB3 ARG 21 5.351 -9.911 -4.392 172 HG2 ARG 21 HG2 ARG 21 5.592 -10.878 -2.312 173 HG3 ARG 21 HG3 ARG 21 3.878 -10.757 -1.952 174 HD2 ARG 21 HD2 ARG 21 4.385 -13.058 -2.365 175 HD3 ARG 21 HD3 ARG 21 3.454 -12.451 -3.730 176 HE ARG 21 HE ARG 21 5.353 -12.571 -5.077 177 HH11 ARG 21 HH11 ARG 21 5.979 -13.747 -1.822 178 HH12 ARG 21 HH12 ARG 21 7.501 -14.475 -2.244 179 HH21 ARG 21 HH21 ARG 21 7.366 -13.520 -5.615 180 HH22 ARG 21 HH22 ARG 21 8.284 -14.352 -4.394 181 H GLY 22 H GLY 22 3.873 -7.959 -5.726 182 HA2 GLY 22 HA2 GLY 22 6.253 -6.510 -6.130 183 HA3 GLY 22 HA3 GLY 22 4.857 -6.501 -7.196 184 H LEU 23 H LEU 23 3.060 -5.503 -5.106 185 HA LEU 23 HA LEU 23 3.370 -2.713 -5.272 186 HB2 LEU 23 HB2 LEU 23 1.223 -3.623 -4.881 187 HB3 LEU 23 HB3 LEU 23 1.769 -4.515 -3.479 188 HG LEU 23 HG LEU 23 2.083 -2.305 -2.322 189 HD11 LEU 23 HD11 LEU 23 0.496 -1.286 -4.658 190 HD12 LEU 23 HD12 LEU 23 2.160 -0.850 -4.265 191 HD13 LEU 23 HD13 LEU 23 0.846 -0.394 -3.178 192 HD21 LEU 23 HD21 LEU 23 -0.675 -2.977 -3.244 193 HD22 LEU 23 HD22 LEU 23 -0.238 -2.089 -1.782 194 HD23 LEU 23 HD23 LEU 23 0.201 -3.792 -1.944 195 H MET 24 H MET 24 4.192 -4.971 -2.632 196 HA MET 24 HA MET 24 5.158 -2.973 -0.847 197 HB2 MET 24 HB2 MET 24 5.535 -5.959 -0.948 198 HB3 MET 24 HB3 MET 24 6.284 -4.961 0.289 199 HG2 MET 24 HG2 MET 24 4.118 -4.231 1.056 200 HG3 MET 24 HG3 MET 24 3.332 -5.142 -0.233 201 HE1 MET 24 HE1 MET 24 1.768 -6.272 1.596 202 HE2 MET 24 HE2 MET 24 2.594 -5.381 2.875 203 HE3 MET 24 HE3 MET 24 2.377 -7.126 3.015 204 H GLU 25 H GLU 25 6.698 -5.007 -3.289 205 HA GLU 25 HA GLU 25 9.361 -4.229 -2.644 206 HB2 GLU 25 HB2 GLU 25 8.276 -5.410 -5.209 207 HB3 GLU 25 HB3 GLU 25 9.973 -5.338 -4.753 208 HG2 GLU 25 HG2 GLU 25 7.824 -6.868 -3.300 209 HG3 GLU 25 HG3 GLU 25 8.988 -7.574 -4.407 210 H ASN 26 H ASN 26 6.887 -2.978 -4.803 211 HA ASN 26 HA ASN 26 8.472 -1.059 -6.172 212 HB2 ASN 26 HB2 ASN 26 5.621 -1.672 -5.896 213 HB3 ASN 26 HB3 ASN 26 5.947 0.047 -6.072 214 HD21 ASN 26 HD21 ASN 26 6.070 -3.068 -7.597 215 HD22 ASN 26 HD22 ASN 26 6.388 -2.485 -9.197 216 H ILE 27 H ILE 27 6.397 -0.851 -3.296 217 HA ILE 27 HA ILE 27 6.828 1.899 -2.829 218 HB ILE 27 HB ILE 27 5.755 -0.320 -1.096 219 HG12 ILE 27 HG12 ILE 27 4.518 2.152 -2.329 220 HG13 ILE 27 HG13 ILE 27 4.356 0.511 -2.933 221 HG21 ILE 27 HG21 ILE 27 5.123 1.338 0.597 222 HG22 ILE 27 HG22 ILE 27 6.030 2.573 -0.276 223 HG23 ILE 27 HG23 ILE 27 6.874 1.200 0.442 224 HD11 ILE 27 HD11 ILE 27 2.350 1.225 -1.782 225 HD12 ILE 27 HD12 ILE 27 3.280 1.552 -0.320 226 HD13 ILE 27 HD13 ILE 27 3.120 -0.102 -0.911 227 H ASN 28 H ASN 28 8.405 -0.995 -1.435 228 HA ASN 28 HA ASN 28 9.956 0.521 0.408 229 HB2 ASN 28 HB2 ASN 28 9.871 -2.338 -0.387 230 HB3 ASN 28 HB3 ASN 28 11.309 -1.753 0.442 231 HD21 ASN 28 HD21 ASN 28 7.931 -2.484 0.729 232 HD22 ASN 28 HD22 ASN 28 7.833 -2.297 2.447 233 H ALA 29 H ALA 29 10.543 -0.467 -2.903 234 HA ALA 29 HA ALA 29 13.353 0.169 -2.819 235 HB1 ALA 29 HB1 ALA 29 12.489 -1.439 -4.442 236 HB2 ALA 29 HB2 ALA 29 13.301 -0.088 -5.235 237 HB3 ALA 29 HB3 ALA 29 11.539 -0.159 -5.200 238 H ALA 30 H ALA 30 10.402 1.909 -3.395 239 HA ALA 30 HA ALA 30 11.900 4.212 -4.414 240 HB1 ALA 30 HB1 ALA 30 10.092 3.394 -5.843 241 HB2 ALA 30 HB2 ALA 30 9.778 5.034 -5.274 242 HB3 ALA 30 HB3 ALA 30 8.938 3.668 -4.539 243 H LEU 31 H LEU 31 11.381 3.272 -1.477 244 HA LEU 31 HA LEU 31 9.849 5.221 -0.184 245 HB2 LEU 31 HB2 LEU 31 12.198 3.642 0.817 246 HB3 LEU 31 HB3 LEU 31 11.283 4.727 1.839 247 HG LEU 31 HG LEU 31 10.168 2.281 0.455 248 HD11 LEU 31 HD11 LEU 31 10.886 2.777 3.339 249 HD12 LEU 31 HD12 LEU 31 11.747 1.721 2.220 250 HD13 LEU 31 HD13 LEU 31 10.097 1.334 2.704 251 HD21 LEU 31 HD21 LEU 31 8.932 4.141 2.485 252 HD22 LEU 31 HD22 LEU 31 8.210 2.653 1.871 253 HD23 LEU 31 HD23 LEU 31 8.481 4.016 0.785 254 HA PRO 32 HA PRO 32 13.771 8.075 0.274 255 HB2 PRO 32 HB2 PRO 32 15.801 7.750 -1.495 256 HB3 PRO 32 HB3 PRO 32 15.770 6.979 0.095 257 HG2 PRO 32 HG2 PRO 32 15.022 5.839 -2.574 258 HG3 PRO 32 HG3 PRO 32 16.020 5.127 -1.288 259 HD2 PRO 32 HD2 PRO 32 13.450 4.442 -1.600 260 HD3 PRO 32 HD3 PRO 32 14.194 4.575 0.002 261 H PHE 33 H PHE 33 12.396 6.975 -2.689 262 HA PHE 33 HA PHE 33 12.819 9.526 -4.057 263 HB2 PHE 33 HB2 PHE 33 11.393 7.043 -5.037 264 HB3 PHE 33 HB3 PHE 33 11.833 8.444 -6.007 265 HD1 PHE 33 HD2 PHE 33 14.305 8.960 -6.303 266 HD2 PHE 33 HD1 PHE 33 12.862 5.270 -4.759 267 HE1 PHE 33 HE2 PHE 33 16.465 7.904 -6.827 268 HE2 PHE 33 HE1 PHE 33 15.021 4.206 -5.276 269 HZ PHE 33 HZ PHE 33 16.825 5.524 -6.312 270 H MET 34 H MET 34 10.675 8.166 -1.929 271 HA MET 34 HA MET 34 8.261 9.377 -3.035 272 HB2 MET 34 HB2 MET 34 8.737 7.061 -1.588 273 HB3 MET 34 HB3 MET 34 8.064 8.155 -0.387 274 HG2 MET 34 HG2 MET 34 6.149 8.553 -1.909 275 HG3 MET 34 HG3 MET 34 6.811 7.324 -2.988 276 HE1 MET 34 HE1 MET 34 7.940 5.153 -0.995 277 HE2 MET 34 HE2 MET 34 6.959 4.765 -2.410 278 HE3 MET 34 HE3 MET 34 6.546 4.082 -0.836 279 H ASP 35 H ASP 35 6.900 10.651 -1.605 280 HA ASP 35 HA ASP 35 8.279 12.715 -0.190 281 HB2 ASP 35 HB2 ASP 35 6.162 13.060 -1.461 282 HB3 ASP 35 HB3 ASP 35 5.319 12.053 -0.294 283 H GLU 36 H GLU 36 8.060 13.199 2.135 284 HA GLU 36 HA GLU 36 8.521 10.991 3.796 285 HB2 GLU 36 HB2 GLU 36 9.381 13.217 4.285 286 HB3 GLU 36 HB3 GLU 36 7.751 13.821 4.529 287 HG2 GLU 36 HG2 GLU 36 7.505 12.303 6.459 288 HG3 GLU 36 HG3 GLU 36 9.166 11.769 6.221 289 H ASP 37 H ASP 37 5.573 12.895 3.272 290 HA ASP 37 HA ASP 37 4.065 11.678 5.380 291 HB2 ASP 37 HB2 ASP 37 3.552 13.931 4.465 292 HB3 ASP 37 HB3 ASP 37 3.077 13.185 2.944 293 H MET 38 H MET 38 4.461 11.101 1.935 294 HA MET 38 HA MET 38 2.568 9.034 1.602 295 HB2 MET 38 HB2 MET 38 4.928 10.040 0.119 296 HB3 MET 38 HB3 MET 38 4.405 8.403 -0.248 297 HG2 MET 38 HG2 MET 38 2.236 9.172 -0.890 298 HG3 MET 38 HG3 MET 38 2.611 10.812 -0.356 299 HE1 MET 38 HE1 MET 38 1.472 9.734 -3.214 300 HE2 MET 38 HE2 MET 38 2.290 10.860 -4.300 301 HE3 MET 38 HE3 MET 38 1.597 11.441 -2.785 302 H ARG 39 H ARG 39 5.912 9.000 2.705 303 HA ARG 39 HA ARG 39 6.243 6.169 2.530 304 HB2 ARG 39 HB2 ARG 39 8.127 7.707 2.369 305 HB3 ARG 39 HB3 ARG 39 7.831 8.266 4.008 306 HG2 ARG 39 HG2 ARG 39 8.309 5.965 4.813 307 HG3 ARG 39 HG3 ARG 39 8.750 5.531 3.161 308 HD2 ARG 39 HD2 ARG 39 10.722 6.067 4.474 309 HD3 ARG 39 HD3 ARG 39 10.492 7.243 3.178 310 HE ARG 39 HE ARG 39 9.483 7.867 5.866 311 HH11 ARG 39 HH11 ARG 39 11.821 8.497 3.320 312 HH12 ARG 39 HH12 ARG 39 12.317 10.021 3.984 313 HH21 ARG 39 HH21 ARG 39 10.126 9.853 6.716 314 HH22 ARG 39 HH22 ARG 39 11.359 10.792 5.930 315 H GLU 40 H GLU 40 5.470 8.415 5.178 316 HA GLU 40 HA GLU 40 5.454 6.404 7.196 317 HB2 GLU 40 HB2 GLU 40 4.128 9.118 7.256 318 HB3 GLU 40 HB3 GLU 40 4.450 8.090 8.643 319 HG2 GLU 40 HG2 GLU 40 6.428 9.557 6.921 320 HG3 GLU 40 HG3 GLU 40 6.094 9.791 8.634 321 H LEU 41 H LEU 41 3.028 7.681 5.031 322 HA LEU 41 HA LEU 41 0.811 6.296 6.158 323 HB2 LEU 41 HB2 LEU 41 0.555 8.224 4.682 324 HB3 LEU 41 HB3 LEU 41 1.316 7.355 3.369 325 HG LEU 41 HG LEU 41 -0.619 5.822 3.279 326 HD11 LEU 41 HD11 LEU 41 -1.836 7.655 5.342 327 HD12 LEU 41 HD12 LEU 41 -1.361 5.976 5.602 328 HD13 LEU 41 HD13 LEU 41 -2.668 6.360 4.481 329 HD21 LEU 41 HD21 LEU 41 -0.542 7.763 1.835 330 HD22 LEU 41 HD22 LEU 41 -1.286 8.753 3.091 331 HD23 LEU 41 HD23 LEU 41 -2.201 7.442 2.344 332 H ALA 42 H ALA 42 3.312 5.461 3.840 333 HA ALA 42 HA ALA 42 2.127 3.213 2.655 334 HB1 ALA 42 HB1 ALA 42 5.058 3.799 2.990 335 HB2 ALA 42 HB2 ALA 42 4.029 4.426 1.701 336 HB3 ALA 42 HB3 ALA 42 4.337 2.692 1.821 337 H LYS 43 H LYS 43 4.240 3.486 5.479 338 HA LYS 43 HA LYS 43 4.551 0.682 5.812 339 HB2 LYS 43 HB2 LYS 43 5.502 1.250 8.026 340 HB3 LYS 43 HB3 LYS 43 6.229 2.142 6.701 341 HG2 LYS 43 HG2 LYS 43 4.685 4.053 7.306 342 HG3 LYS 43 HG3 LYS 43 4.303 3.153 8.774 343 HD2 LYS 43 HD2 LYS 43 6.031 4.775 9.246 344 HD3 LYS 43 HD3 LYS 43 6.706 3.148 9.358 345 HE2 LYS 43 HE2 LYS 43 7.718 3.374 7.165 346 HE3 LYS 43 HE3 LYS 43 6.952 4.946 6.936 347 HZ1 LYS 43 HZ1 LYS 43 9.286 5.119 7.587 348 HZ2 LYS 43 HZ2 LYS 43 8.954 4.317 9.040 349 HZ3 LYS 43 HZ3 LYS 43 8.261 5.837 8.729 350 H ARG 44 H ARG 44 2.122 2.942 6.879 351 HA ARG 44 HA ARG 44 0.874 1.207 8.780 352 HB2 ARG 44 HB2 ARG 44 -0.120 3.645 7.301 353 HB3 ARG 44 HB3 ARG 44 -1.067 2.795 8.515 354 HG2 ARG 44 HG2 ARG 44 0.467 3.362 10.230 355 HG3 ARG 44 HG3 ARG 44 1.649 3.957 9.063 356 HD2 ARG 44 HD2 ARG 44 0.526 5.815 10.139 357 HD3 ARG 44 HD3 ARG 44 0.107 5.757 8.430 358 HE ARG 44 HE ARG 44 -1.723 4.593 10.416 359 HH11 ARG 44 HH11 ARG 44 -1.047 7.060 8.022 360 HH12 ARG 44 HH12 ARG 44 -2.698 7.595 7.924 361 HH21 ARG 44 HH21 ARG 44 -3.893 5.321 10.289 362 HH22 ARG 44 HH22 ARG 44 -4.305 6.598 9.189 363 H THR 45 H THR 45 0.339 1.917 5.340 364 HA THR 45 HA THR 45 -2.051 0.340 5.207 365 HB THR 45 HB THR 45 -0.464 1.308 2.837 366 HG1 THR 45 HG1 THR 45 -2.279 2.728 4.522 367 HG21 THR 45 HG21 THR 45 -3.413 0.872 3.321 368 HG22 THR 45 HG22 THR 45 -2.350 -0.187 2.393 369 HG23 THR 45 HG23 THR 45 -2.688 1.447 1.820 370 H LEU 46 H LEU 46 1.353 -0.198 4.351 371 HA LEU 46 HA LEU 46 0.905 -2.690 3.056 372 HB2 LEU 46 HB2 LEU 46 3.391 -1.585 4.344 373 HB3 LEU 46 HB3 LEU 46 3.339 -3.102 3.467 374 HG LEU 46 HG LEU 46 2.871 -0.341 2.341 375 HD11 LEU 46 HD11 LEU 46 5.014 -2.403 1.893 376 HD12 LEU 46 HD12 LEU 46 5.187 -0.884 2.773 377 HD13 LEU 46 HD13 LEU 46 4.873 -0.867 1.037 378 HD21 LEU 46 HD21 LEU 46 2.647 -1.435 0.160 379 HD22 LEU 46 HD22 LEU 46 1.360 -1.932 1.259 380 HD23 LEU 46 HD23 LEU 46 2.716 -3.015 0.942 381 H ALA 47 H ALA 47 1.278 -1.778 6.397 382 HA ALA 47 HA ALA 47 1.621 -4.399 7.443 383 HB1 ALA 47 HB1 ALA 47 2.217 -2.382 8.699 384 HB2 ALA 47 HB2 ALA 47 1.110 -3.420 9.597 385 HB3 ALA 47 HB3 ALA 47 0.508 -1.959 8.813 386 H LYS 48 H LYS 48 -1.116 -2.740 6.177 387 HA LYS 48 HA LYS 48 -3.145 -4.309 7.497 388 HB2 LYS 48 HB2 LYS 48 -3.314 -2.724 4.930 389 HB3 LYS 48 HB3 LYS 48 -4.675 -3.363 5.834 390 HG2 LYS 48 HG2 LYS 48 -2.768 -1.287 6.873 391 HG3 LYS 48 HG3 LYS 48 -4.312 -0.934 6.097 392 HD2 LYS 48 HD2 LYS 48 -5.349 -2.436 7.883 393 HD3 LYS 48 HD3 LYS 48 -3.799 -2.307 8.717 394 HE2 LYS 48 HE2 LYS 48 -5.728 -0.102 8.031 395 HE3 LYS 48 HE3 LYS 48 -5.213 -0.634 9.629 396 HZ1 LYS 48 HZ1 LYS 48 -3.651 0.866 7.610 397 HZ2 LYS 48 HZ2 LYS 48 -2.917 0.093 8.931 398 HZ3 LYS 48 HZ3 LYS 48 -4.041 1.334 9.196 399 H ILE 49 H ILE 49 -1.202 -4.532 4.591 400 HA ILE 49 HA ILE 49 -2.818 -6.750 3.559 401 HB ILE 49 HB ILE 49 -0.484 -5.673 2.019 402 HG12 ILE 49 HG12 ILE 49 -3.182 -4.307 1.964 403 HG13 ILE 49 HG13 ILE 49 -1.844 -3.700 2.933 404 HG21 ILE 49 HG21 ILE 49 -2.001 -6.130 0.128 405 HG22 ILE 49 HG22 ILE 49 -3.254 -6.621 1.268 406 HG23 ILE 49 HG23 ILE 49 -1.761 -7.552 1.143 407 HD11 ILE 49 HD11 ILE 49 -0.507 -3.439 0.906 408 HD12 ILE 49 HD12 ILE 49 -2.006 -2.511 0.842 409 HD13 ILE 49 HD13 ILE 49 -1.866 -4.023 -0.057 410 H ALA 50 H ALA 50 -0.004 -6.187 5.350 411 HA ALA 50 HA ALA 50 1.623 -8.330 4.785 412 HB1 ALA 50 HB1 ALA 50 1.030 -7.235 7.526 413 HB2 ALA 50 HB2 ALA 50 2.173 -6.548 6.369 414 HB3 ALA 50 HB3 ALA 50 2.458 -8.152 7.046 415 HA PRO 51 HA PRO 51 -1.036 -11.433 7.275 416 HB2 PRO 51 HB2 PRO 51 -3.508 -10.845 8.128 417 HB3 PRO 51 HB3 PRO 51 -2.072 -10.465 9.086 418 HG2 PRO 51 HG2 PRO 51 -3.687 -8.673 7.311 419 HG3 PRO 51 HG3 PRO 51 -3.074 -8.371 8.949 420 HD2 PRO 51 HD2 PRO 51 -1.828 -7.453 6.724 421 HD3 PRO 51 HD3 PRO 51 -0.964 -7.877 8.210 422 H LEU 52 H LEU 52 -1.790 -9.757 4.562 423 HA LEU 52 HA LEU 52 -3.986 -11.552 3.756 424 HB2 LEU 52 HB2 LEU 52 -3.103 -8.982 2.445 425 HB3 LEU 52 HB3 LEU 52 -4.471 -9.966 1.976 426 HG LEU 52 HG LEU 52 -4.226 -8.437 4.570 427 HD11 LEU 52 HD11 LEU 52 -5.928 -6.991 3.603 428 HD12 LEU 52 HD12 LEU 52 -5.880 -7.921 2.106 429 HD13 LEU 52 HD13 LEU 52 -4.466 -6.999 2.618 430 HD21 LEU 52 HD21 LEU 52 -6.572 -9.002 4.896 431 HD22 LEU 52 HD22 LEU 52 -5.597 -10.469 4.785 432 HD23 LEU 52 HD23 LEU 52 -6.566 -9.948 3.405 433 H THR 53 H THR 53 -3.937 -12.178 1.413 434 HA THR 53 HA THR 53 -1.178 -12.691 0.493 435 HB THR 53 HB THR 53 -2.109 -14.531 -0.874 436 HG1 THR 53 HG1 THR 53 -4.564 -14.251 0.522 437 HG21 THR 53 HG21 THR 53 -1.287 -15.047 1.364 438 HG22 THR 53 HG22 THR 53 -2.648 -16.083 0.938 439 HG23 THR 53 HG23 THR 53 -2.882 -14.723 2.039 440 H GLU 54 H GLU 54 -1.526 -13.258 -2.132 441 HA GLU 54 HA GLU 54 -2.071 -10.803 -3.469 442 HB2 GLU 54 HB2 GLU 54 -1.298 -13.556 -4.271 443 HB3 GLU 54 HB3 GLU 54 -2.170 -12.631 -5.480 444 HG2 GLU 54 HG2 GLU 54 0.204 -12.450 -5.797 445 HG3 GLU 54 HG3 GLU 54 -0.481 -10.886 -5.356 446 H ASN 55 H ASN 55 -3.960 -13.601 -2.649 447 HA ASN 55 HA ASN 55 -6.108 -13.255 -4.471 448 HB2 ASN 55 HB2 ASN 55 -5.615 -15.390 -3.317 449 HB3 ASN 55 HB3 ASN 55 -6.048 -14.657 -1.779 450 HD21 ASN 55 HD21 ASN 55 -8.203 -14.397 -1.252 451 HD22 ASN 55 HD22 ASN 55 -9.488 -15.079 -2.195 452 H GLU 56 H GLU 56 -5.634 -12.262 -1.077 453 HA GLU 56 HA GLU 56 -8.219 -11.110 -0.808 454 HB2 GLU 56 HB2 GLU 56 -5.736 -11.001 0.861 455 HB3 GLU 56 HB3 GLU 56 -7.107 -9.975 1.236 456 HG2 GLU 56 HG2 GLU 56 -7.380 -11.807 2.620 457 HG3 GLU 56 HG3 GLU 56 -8.479 -12.129 1.279 458 H TYR 57 H TYR 57 -5.073 -9.814 -1.706 459 HA TYR 57 HA TYR 57 -5.947 -7.091 -1.611 460 HB2 TYR 57 HB2 TYR 57 -3.577 -7.640 -1.314 461 HB3 TYR 57 HB3 TYR 57 -3.505 -8.280 -2.953 462 HD1 TYR 57 HD1 TYR 57 -4.608 -5.114 -1.267 463 HD2 TYR 57 HD2 TYR 57 -2.532 -6.909 -4.513 464 HE1 TYR 57 HE1 TYR 57 -4.054 -2.881 -2.149 465 HE2 TYR 57 HE2 TYR 57 -1.974 -4.689 -5.390 466 HH TYR 57 HH TYR 57 -2.702 -2.456 -5.301 467 H ALA 58 H ALA 58 -6.052 -9.628 -4.014 468 HA ALA 58 HA ALA 58 -6.645 -7.924 -6.241 469 HB1 ALA 58 HB1 ALA 58 -7.258 -10.852 -5.888 470 HB2 ALA 58 HB2 ALA 58 -5.756 -10.194 -6.538 471 HB3 ALA 58 HB3 ALA 58 -7.274 -9.956 -7.405 472 H GLU 59 H GLU 59 -8.508 -9.223 -3.617 473 HA GLU 59 HA GLU 59 -11.081 -8.717 -4.769 474 HB2 GLU 59 HB2 GLU 59 -10.218 -9.093 -1.899 475 HB3 GLU 59 HB3 GLU 59 -11.894 -8.963 -2.421 476 HG2 GLU 59 HG2 GLU 59 -11.701 -10.973 -3.713 477 HG3 GLU 59 HG3 GLU 59 -9.974 -11.079 -3.367 478 H LEU 60 H LEU 60 -8.792 -6.883 -2.813 479 HA LEU 60 HA LEU 60 -10.439 -4.569 -2.448 480 HB2 LEU 60 HB2 LEU 60 -7.414 -4.677 -2.528 481 HB3 LEU 60 HB3 LEU 60 -8.405 -3.444 -1.778 482 HG LEU 60 HG LEU 60 -8.209 -6.309 -0.816 483 HD11 LEU 60 HD11 LEU 60 -6.109 -5.104 -0.525 484 HD12 LEU 60 HD12 LEU 60 -6.900 -5.385 1.027 485 HD13 LEU 60 HD13 LEU 60 -6.968 -3.789 0.277 486 HD21 LEU 60 HD21 LEU 60 -10.342 -5.269 -0.247 487 HD22 LEU 60 HD22 LEU 60 -9.494 -3.879 0.430 488 HD23 LEU 60 HD23 LEU 60 -9.334 -5.463 1.188 489 H ALA 61 H ALA 61 -7.600 -5.112 -4.508 490 HA ALA 61 HA ALA 61 -6.978 -4.510 -6.585 491 HB1 ALA 61 HB1 ALA 61 -8.885 -5.944 -7.124 492 HB2 ALA 61 HB2 ALA 61 -8.640 -4.678 -8.331 493 HB3 ALA 61 HB3 ALA 61 -9.933 -4.525 -7.141 494 H ILE 62 H ILE 62 -7.360 -2.338 -4.755 495 HA ILE 62 HA ILE 62 -7.530 -0.126 -4.520 496 HB ILE 62 HB ILE 62 -7.222 0.046 -7.523 497 HG12 ILE 62 HG12 ILE 62 -5.321 -1.131 -6.650 498 HG13 ILE 62 HG13 ILE 62 -4.812 0.521 -6.967 499 HG21 ILE 62 HG21 ILE 62 -8.060 2.117 -6.600 500 HG22 ILE 62 HG22 ILE 62 -6.370 2.316 -7.069 501 HG23 ILE 62 HG23 ILE 62 -6.795 2.114 -5.369 502 HD11 ILE 62 HD11 ILE 62 -3.887 -0.297 -4.886 503 HD12 ILE 62 HD12 ILE 62 -5.508 -0.633 -4.276 504 HD13 ILE 62 HD13 ILE 62 -5.009 1.030 -4.587 505 H PHE 63 H PHE 63 -9.546 -0.139 -3.724 506 HA PHE 63 HA PHE 63 -11.746 0.356 -5.549 507 HB2 PHE 63 HB2 PHE 63 -13.206 0.064 -3.526 508 HB3 PHE 63 HB3 PHE 63 -12.269 -1.351 -3.968 509 HD1 PHE 63 HD2 PHE 63 -10.217 -1.919 -2.586 510 HD2 PHE 63 HD1 PHE 63 -13.063 1.008 -1.379 511 HE1 PHE 63 HE2 PHE 63 -9.400 -2.080 -0.279 512 HE2 PHE 63 HE1 PHE 63 -12.247 0.843 0.934 513 HZ PHE 63 HZ PHE 63 -10.413 -0.697 1.487 514 H ALA 64 H ALA 64 -9.923 1.902 -2.959 515 HA ALA 64 HA ALA 64 -11.649 4.258 -3.162 516 HB1 ALA 64 HB1 ALA 64 -9.758 3.503 -0.949 517 HB2 ALA 64 HB2 ALA 64 -11.503 3.238 -0.946 518 HB3 ALA 64 HB3 ALA 64 -10.858 4.882 -0.959 519 H ALA 65 H ALA 65 -10.476 4.742 -5.163 520 HA ALA 65 HA ALA 65 -8.551 6.829 -4.550 521 HB1 ALA 65 HB1 ALA 65 -7.114 4.910 -5.103 522 HB2 ALA 65 HB2 ALA 65 -6.982 6.198 -6.301 523 HB3 ALA 65 HB3 ALA 65 -7.933 4.757 -6.658 524 H ASP 66 H ASP 66 -11.365 6.130 -5.684 525 HA ASP 66 HA ASP 66 -11.227 7.503 -8.279 526 HB2 ASP 66 HB2 ASP 66 -12.383 5.305 -8.157 527 HB3 ASP 66 HB3 ASP 66 -13.502 5.972 -6.975 528 H GLU 67 H GLU 67 -12.002 7.943 -5.039 529 HA GLU 67 HA GLU 67 -14.073 9.900 -5.300 530 HB2 GLU 67 HB2 GLU 67 -12.363 9.157 -2.923 531 HB3 GLU 67 HB3 GLU 67 -13.798 10.160 -2.854 532 HG2 GLU 67 HG2 GLU 67 -14.561 8.119 -2.119 533 HG3 GLU 67 HG3 GLU 67 -15.014 8.105 -3.818 534 H VAL 68 H VAL 68 -10.622 9.954 -5.274 535 HA VAL 68 HA VAL 68 -10.460 12.794 -4.613 536 HB VAL 68 HB VAL 68 -7.983 12.467 -4.791 537 HG11 VAL 68 HG11 VAL 68 -7.778 11.129 -2.735 538 HG12 VAL 68 HG12 VAL 68 -9.451 10.605 -2.929 539 HG13 VAL 68 HG13 VAL 68 -9.089 12.307 -2.641 540 HG21 VAL 68 HG21 VAL 68 -8.733 9.568 -5.186 541 HG22 VAL 68 HG22 VAL 68 -7.104 10.168 -4.873 542 HG23 VAL 68 HG23 VAL 68 -7.937 10.609 -6.366 543 H LEU 69 H LEU 69 -11.139 11.147 -7.355 544 HA LEU 69 HA LEU 69 -9.340 12.426 -9.187 545 HB2 LEU 69 HB2 LEU 69 -11.821 10.788 -9.667 546 HB3 LEU 69 HB3 LEU 69 -10.806 11.424 -10.947 547 HG LEU 69 HG LEU 69 -9.961 9.417 -8.847 548 HD11 LEU 69 HD11 LEU 69 -10.434 9.128 -11.808 549 HD12 LEU 69 HD12 LEU 69 -11.456 8.485 -10.522 550 HD13 LEU 69 HD13 LEU 69 -9.815 7.874 -10.734 551 HD21 LEU 69 HD21 LEU 69 -8.092 10.853 -9.455 552 HD22 LEU 69 HD22 LEU 69 -8.417 10.583 -11.167 553 HD23 LEU 69 HD23 LEU 69 -7.880 9.245 -10.150 554 H GLU 70 H GLU 70 -12.394 13.220 -7.821 555 HA GLU 70 HA GLU 70 -13.215 15.059 -9.866 556 HB2 GLU 70 HB2 GLU 70 -14.977 15.686 -8.216 557 HB3 GLU 70 HB3 GLU 70 -14.905 13.965 -8.564 558 HG2 GLU 70 HG2 GLU 70 -13.599 13.655 -6.473 559 HG3 GLU 70 HG3 GLU 70 -13.854 15.358 -6.108 560 H HIS 71 H HIS 71 -10.829 15.269 -7.549 561 HA HIS 71 HA HIS 71 -11.313 17.966 -6.641 562 HB2 HIS 71 HB2 HIS 71 -10.340 16.143 -5.213 563 HB3 HIS 71 HB3 HIS 71 -8.887 16.212 -6.200 564 HD1 HIS 71 HD1 HIS 71 -10.952 18.670 -4.138 565 HD2 HIS 71 HD2 HIS 71 -7.006 17.799 -5.104 566 HE1 HIS 71 HE1 HIS 71 -9.558 20.286 -2.811 567 HE2 HIS 71 HE2 HIS 71 -7.178 19.590 -3.241 568 H HIS 72 H HIS 72 -9.272 16.383 -9.026 569 HA HIS 72 HA HIS 72 -8.334 19.037 -9.896 570 HB2 HIS 72 HB2 HIS 72 -6.607 17.734 -8.543 571 HB3 HIS 72 HB3 HIS 72 -6.554 16.595 -9.878 572 HD1 HIS 72 HD1 HIS 72 -4.747 19.339 -8.591 573 HD2 HIS 72 HD2 HIS 72 -5.848 18.183 -12.435 574 HE1 HIS 72 HE1 HIS 72 -3.143 20.500 -10.139 575 HE2 HIS 72 HE2 HIS 72 -4.003 19.997 -12.451 576 H HIS 73 H HIS 73 -8.732 15.635 -10.673 577 HA HIS 73 HA HIS 73 -9.072 14.425 -12.506 578 HB2 HIS 73 HB2 HIS 73 -10.000 17.028 -13.703 579 HB3 HIS 73 HB3 HIS 73 -9.901 15.557 -14.658 580 HD1 HIS 73 HD1 HIS 73 -11.419 13.511 -13.741 581 HD2 HIS 73 HD2 HIS 73 -12.303 17.308 -12.291 582 HE1 HIS 73 HE1 HIS 73 -13.738 13.349 -12.780 583 HE2 HIS 73 HE2 HIS 73 -14.300 15.683 -12.006 584 H HIS 74 H HIS 74 -7.071 13.707 -12.719 585 HA HIS 74 HA HIS 74 -5.154 15.076 -14.398 586 HB2 HIS 74 HB2 HIS 74 -4.516 13.552 -12.462 587 HB3 HIS 74 HB3 HIS 74 -5.041 12.198 -13.452 588 HD1 HIS 74 HD1 HIS 74 -3.275 11.178 -14.892 589 HD2 HIS 74 HD2 HIS 74 -2.307 15.048 -13.714 590 HE1 HIS 74 HE1 HIS 74 -0.952 11.589 -15.755 591 HE2 HIS 74 HE2 HIS 74 -0.335 13.882 -14.911 592 H HIS 75 H HIS 75 -5.087 14.939 -16.554 593 HA HIS 75 HA HIS 75 -7.237 13.687 -17.918 594 HB2 HIS 75 HB2 HIS 75 -4.790 15.134 -18.910 595 HB3 HIS 75 HB3 HIS 75 -5.989 14.453 -20.002 596 HD1 HIS 75 HD1 HIS 75 -8.424 15.498 -19.859 597 HD2 HIS 75 HD2 HIS 75 -5.448 17.591 -17.846 598 HE1 HIS 75 HE1 HIS 75 -9.381 17.775 -19.414 599 HE2 HIS 75 HE2 HIS 75 -7.538 19.058 -18.270 600 H HIS 76 H HIS 76 -7.415 11.666 -18.276 601 HA HIS 76 HA HIS 76 -5.087 10.064 -19.090 602 HB2 HIS 76 HB2 HIS 76 -5.676 9.731 -16.674 603 HB3 HIS 76 HB3 HIS 76 -7.272 9.196 -17.176 604 HD1 HIS 76 HD1 HIS 76 -7.535 6.767 -17.610 605 HD2 HIS 76 HD2 HIS 76 -3.548 7.925 -17.580 606 HE1 HIS 76 HE1 HIS 76 -6.214 4.639 -17.755 607 HE2 HIS 76 HE2 HIS 76 -3.812 5.354 -17.492 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -12.842 -8.163 6.049 2 H2 MET 1 H2 MET 1 -14.014 -8.390 4.843 3 H3 MET 1 H3 MET 1 -14.240 -7.204 6.036 4 HA MET 1 HA MET 1 -12.109 -7.205 3.984 5 HB2 MET 1 HB2 MET 1 -14.433 -6.755 3.149 6 HB3 MET 1 HB3 MET 1 -14.532 -5.408 4.269 7 HG2 MET 1 HG2 MET 1 -12.689 -4.302 3.118 8 HG3 MET 1 HG3 MET 1 -12.566 -5.662 2.002 9 HE1 MET 1 HE1 MET 1 -14.338 -6.254 0.166 10 HE2 MET 1 HE2 MET 1 -15.889 -5.434 -0.012 11 HE3 MET 1 HE3 MET 1 -15.575 -6.427 1.412 12 H ILE 2 H ILE 2 -10.534 -5.729 4.273 13 HA ILE 2 HA ILE 2 -10.245 -4.651 6.909 14 HB ILE 2 HB ILE 2 -8.337 -5.694 5.821 15 HG12 ILE 2 HG12 ILE 2 -7.786 -2.740 6.107 16 HG13 ILE 2 HG13 ILE 2 -8.036 -3.821 7.473 17 HG21 ILE 2 HG21 ILE 2 -7.169 -4.649 3.927 18 HG22 ILE 2 HG22 ILE 2 -8.469 -3.465 3.793 19 HG23 ILE 2 HG23 ILE 2 -8.799 -5.171 3.494 20 HD11 ILE 2 HD11 ILE 2 -5.859 -4.041 5.426 21 HD12 ILE 2 HD12 ILE 2 -6.095 -5.105 6.812 22 HD13 ILE 2 HD13 ILE 2 -5.691 -3.406 7.062 23 H ARG 3 H ARG 3 -10.173 -2.557 7.564 24 HA ARG 3 HA ARG 3 -11.510 -0.621 5.891 25 HB2 ARG 3 HB2 ARG 3 -10.617 -0.630 8.762 26 HB3 ARG 3 HB3 ARG 3 -11.181 0.843 7.982 27 HG2 ARG 3 HG2 ARG 3 -12.740 -1.712 8.319 28 HG3 ARG 3 HG3 ARG 3 -12.991 -0.201 9.199 29 HD2 ARG 3 HD2 ARG 3 -13.503 0.927 7.081 30 HD3 ARG 3 HD3 ARG 3 -13.281 -0.596 6.224 31 HE ARG 3 HE ARG 3 -15.191 -1.118 8.120 32 HH11 ARG 3 HH11 ARG 3 -14.854 1.162 5.466 33 HH12 ARG 3 HH12 ARG 3 -16.567 1.259 5.176 34 HH21 ARG 3 HH21 ARG 3 -17.434 -0.964 7.738 35 HH22 ARG 3 HH22 ARG 3 -18.021 0.054 6.460 36 H LEU 4 H LEU 4 -10.202 0.022 4.316 37 HA LEU 4 HA LEU 4 -7.712 1.377 5.083 38 HB2 LEU 4 HB2 LEU 4 -8.629 0.351 2.389 39 HB3 LEU 4 HB3 LEU 4 -7.178 1.306 2.636 40 HG LEU 4 HG LEU 4 -7.683 -1.416 3.849 41 HD11 LEU 4 HD11 LEU 4 -5.920 -0.590 1.551 42 HD12 LEU 4 HD12 LEU 4 -7.386 -1.565 1.445 43 HD13 LEU 4 HD13 LEU 4 -5.969 -2.190 2.290 44 HD21 LEU 4 HD21 LEU 4 -5.322 -1.306 4.464 45 HD22 LEU 4 HD22 LEU 4 -6.248 -0.011 5.220 46 HD23 LEU 4 HD23 LEU 4 -5.231 0.336 3.822 47 H THR 5 H THR 5 -7.448 3.523 4.644 48 HA THR 5 HA THR 5 -9.855 5.011 4.088 49 HB THR 5 HB THR 5 -8.408 7.023 4.424 50 HG1 THR 5 HG1 THR 5 -6.423 5.094 5.108 51 HG21 THR 5 HG21 THR 5 -8.312 4.943 6.613 52 HG22 THR 5 HG22 THR 5 -9.636 6.069 6.302 53 HG23 THR 5 HG23 THR 5 -8.067 6.674 6.831 54 H ILE 6 H ILE 6 -9.552 7.024 2.649 55 HA ILE 6 HA ILE 6 -9.306 6.204 -0.023 56 HB ILE 6 HB ILE 6 -9.205 9.046 1.017 57 HG12 ILE 6 HG12 ILE 6 -11.179 7.947 1.921 58 HG13 ILE 6 HG13 ILE 6 -11.652 9.099 0.680 59 HG21 ILE 6 HG21 ILE 6 -10.173 9.675 -1.143 60 HG22 ILE 6 HG22 ILE 6 -10.057 8.000 -1.681 61 HG23 ILE 6 HG23 ILE 6 -8.591 8.914 -1.323 62 HD11 ILE 6 HD11 ILE 6 -11.939 7.264 -0.903 63 HD12 ILE 6 HD12 ILE 6 -12.955 7.067 0.526 64 HD13 ILE 6 HD13 ILE 6 -11.478 6.116 0.353 65 H GLU 7 H GLU 7 -6.993 7.740 2.136 66 HA GLU 7 HA GLU 7 -5.083 8.392 0.119 67 HB2 GLU 7 HB2 GLU 7 -4.918 8.270 3.125 68 HB3 GLU 7 HB3 GLU 7 -3.529 8.662 2.131 69 HG2 GLU 7 HG2 GLU 7 -4.387 10.711 2.859 70 HG3 GLU 7 HG3 GLU 7 -4.897 10.557 1.178 71 H GLU 8 H GLU 8 -5.612 5.625 2.210 72 HA GLU 8 HA GLU 8 -3.079 4.388 1.722 73 HB2 GLU 8 HB2 GLU 8 -5.655 3.258 2.815 74 HB3 GLU 8 HB3 GLU 8 -4.131 2.378 2.749 75 HG2 GLU 8 HG2 GLU 8 -3.100 4.037 4.197 76 HG3 GLU 8 HG3 GLU 8 -4.613 4.938 4.250 77 H THR 9 H THR 9 -6.308 4.089 0.353 78 HA THR 9 HA THR 9 -5.596 2.030 -1.499 79 HB THR 9 HB THR 9 -7.789 2.799 -2.646 80 HG1 THR 9 HG1 THR 9 -8.227 3.974 -0.100 81 HG21 THR 9 HG21 THR 9 -7.804 1.702 0.162 82 HG22 THR 9 HG22 THR 9 -7.567 0.770 -1.315 83 HG23 THR 9 HG23 THR 9 -9.115 1.558 -1.011 84 H ASN 10 H ASN 10 -5.521 5.522 -1.554 85 HA ASN 10 HA ASN 10 -4.997 5.861 -4.315 86 HB2 ASN 10 HB2 ASN 10 -5.661 7.771 -3.006 87 HB3 ASN 10 HB3 ASN 10 -4.307 7.563 -1.910 88 HD21 ASN 10 HD21 ASN 10 -5.283 8.630 -5.088 89 HD22 ASN 10 HD22 ASN 10 -3.858 9.542 -5.424 90 H LEU 11 H LEU 11 -2.924 5.264 -1.526 91 HA LEU 11 HA LEU 11 -0.412 5.419 -2.782 92 HB2 LEU 11 HB2 LEU 11 -0.650 5.396 -0.385 93 HB3 LEU 11 HB3 LEU 11 -1.401 3.815 -0.428 94 HG LEU 11 HG LEU 11 0.836 2.996 -1.394 95 HD11 LEU 11 HD11 LEU 11 1.737 5.598 -0.169 96 HD12 LEU 11 HD12 LEU 11 1.805 5.176 -1.879 97 HD13 LEU 11 HD13 LEU 11 2.790 4.291 -0.713 98 HD21 LEU 11 HD21 LEU 11 1.715 2.701 0.854 99 HD22 LEU 11 HD22 LEU 11 -0.029 2.439 0.797 100 HD23 LEU 11 HD23 LEU 11 0.617 3.945 1.448 101 H LEU 12 H LEU 12 -2.701 2.766 -2.408 102 HA LEU 12 HA LEU 12 -1.177 0.753 -3.695 103 HB2 LEU 12 HB2 LEU 12 -4.184 1.001 -3.528 104 HB3 LEU 12 HB3 LEU 12 -3.283 -0.461 -3.862 105 HG LEU 12 HG LEU 12 -3.201 1.053 -1.252 106 HD11 LEU 12 HD11 LEU 12 -4.541 -0.789 -0.370 107 HD12 LEU 12 HD12 LEU 12 -4.656 -1.480 -1.991 108 HD13 LEU 12 HD13 LEU 12 -5.391 0.086 -1.645 109 HD21 LEU 12 HD21 LEU 12 -2.082 -0.930 -0.375 110 HD22 LEU 12 HD22 LEU 12 -1.154 -0.210 -1.691 111 HD23 LEU 12 HD23 LEU 12 -2.109 -1.666 -1.976 112 H SER 13 H SER 13 -3.406 3.215 -4.820 113 HA SER 13 HA SER 13 -3.693 2.315 -7.492 114 HB2 SER 13 HB2 SER 13 -5.321 3.787 -6.341 115 HB3 SER 13 HB3 SER 13 -4.128 5.083 -6.340 116 HG SER 13 HG SER 13 -4.318 4.248 -8.828 117 H ILE 14 H ILE 14 -1.254 4.258 -5.894 118 HA ILE 14 HA ILE 14 -0.063 5.540 -8.087 119 HB ILE 14 HB ILE 14 1.334 4.438 -5.623 120 HG12 ILE 14 HG12 ILE 14 -0.491 6.004 -5.030 121 HG13 ILE 14 HG13 ILE 14 1.096 6.635 -4.615 122 HG21 ILE 14 HG21 ILE 14 2.234 6.588 -7.540 123 HG22 ILE 14 HG22 ILE 14 2.931 4.979 -7.360 124 HG23 ILE 14 HG23 ILE 14 3.051 6.140 -6.039 125 HD11 ILE 14 HD11 ILE 14 -0.585 7.441 -6.976 126 HD12 ILE 14 HD12 ILE 14 1.032 8.045 -6.616 127 HD13 ILE 14 HD13 ILE 14 -0.301 8.382 -5.511 128 H TYR 15 H TYR 15 0.381 2.303 -6.726 129 HA TYR 15 HA TYR 15 2.371 1.723 -8.793 130 HB2 TYR 15 HB2 TYR 15 1.909 0.350 -6.129 131 HB3 TYR 15 HB3 TYR 15 3.168 -0.077 -7.291 132 HD1 TYR 15 HD2 TYR 15 4.910 1.687 -7.869 133 HD2 TYR 15 HD1 TYR 15 2.270 2.082 -4.555 134 HE1 TYR 15 HE2 TYR 15 6.368 3.419 -6.916 135 HE2 TYR 15 HE1 TYR 15 3.716 3.834 -3.607 136 HH TYR 15 HH TYR 15 6.203 5.310 -5.392 137 H ASN 16 H ASN 16 0.218 -0.376 -6.925 138 HA ASN 16 HA ASN 16 -1.050 -2.166 -7.410 139 HB2 ASN 16 HB2 ASN 16 -2.453 -0.250 -8.273 140 HB3 ASN 16 HB3 ASN 16 -1.898 -0.659 -9.892 141 HD21 ASN 16 HD21 ASN 16 -3.968 -1.161 -10.586 142 HD22 ASN 16 HD22 ASN 16 -4.796 -2.598 -10.083 143 H GLU 17 H GLU 17 0.832 -3.436 -7.727 144 HA GLU 17 HA GLU 17 0.873 -4.751 -10.304 145 HB2 GLU 17 HB2 GLU 17 2.494 -2.954 -10.653 146 HB3 GLU 17 HB3 GLU 17 3.325 -3.377 -9.167 147 HG2 GLU 17 HG2 GLU 17 4.063 -5.463 -10.127 148 HG3 GLU 17 HG3 GLU 17 3.117 -5.151 -11.586 149 H GLY 18 H GLY 18 0.999 -6.862 -9.979 150 HA2 GLY 18 HA2 GLY 18 1.662 -8.906 -9.199 151 HA3 GLY 18 HA3 GLY 18 2.979 -8.088 -8.381 152 H GLY 19 H GLY 19 -0.490 -7.648 -7.849 153 HA2 GLY 19 HA2 GLY 19 -1.805 -7.997 -5.995 154 HA3 GLY 19 HA3 GLY 19 -0.615 -9.171 -5.446 155 H LYS 20 H LYS 20 -0.537 -8.544 -3.344 156 HA LYS 20 HA LYS 20 0.111 -5.763 -2.725 157 HB2 LYS 20 HB2 LYS 20 -0.462 -6.225 -0.474 158 HB3 LYS 20 HB3 LYS 20 -1.652 -7.072 -1.439 159 HG2 LYS 20 HG2 LYS 20 -1.234 -8.773 -0.045 160 HG3 LYS 20 HG3 LYS 20 0.196 -9.028 -1.053 161 HD2 LYS 20 HD2 LYS 20 1.485 -7.572 0.468 162 HD3 LYS 20 HD3 LYS 20 0.055 -7.395 1.483 163 HE2 LYS 20 HE2 LYS 20 1.260 -9.038 2.557 164 HE3 LYS 20 HE3 LYS 20 0.091 -9.952 1.613 165 HZ1 LYS 20 HZ1 LYS 20 2.343 -10.865 1.502 166 HZ2 LYS 20 HZ2 LYS 20 2.892 -9.433 0.782 167 HZ3 LYS 20 HZ3 LYS 20 1.762 -10.408 -0.023 168 H ARG 21 H ARG 21 1.575 -8.737 -3.265 169 HA ARG 21 HA ARG 21 3.919 -8.582 -1.704 170 HB2 ARG 21 HB2 ARG 21 2.878 -10.567 -2.934 171 HB3 ARG 21 HB3 ARG 21 3.597 -9.905 -4.389 172 HG2 ARG 21 HG2 ARG 21 5.756 -10.340 -3.661 173 HG3 ARG 21 HG3 ARG 21 5.241 -10.550 -1.986 174 HD2 ARG 21 HD2 ARG 21 4.490 -12.366 -4.272 175 HD3 ARG 21 HD3 ARG 21 5.774 -12.692 -3.104 176 HE ARG 21 HE ARG 21 3.216 -12.167 -1.892 177 HH11 ARG 21 HH11 ARG 21 5.199 -14.707 -3.314 178 HH12 ARG 21 HH12 ARG 21 4.408 -15.971 -2.426 179 HH21 ARG 21 HH21 ARG 21 2.201 -13.835 -0.747 180 HH22 ARG 21 HH22 ARG 21 2.707 -15.480 -0.979 181 H GLY 22 H GLY 22 3.312 -7.886 -5.130 182 HA2 GLY 22 HA2 GLY 22 5.770 -6.560 -5.623 183 HA3 GLY 22 HA3 GLY 22 4.325 -6.476 -6.623 184 H LEU 23 H LEU 23 2.655 -5.423 -4.428 185 HA LEU 23 HA LEU 23 3.075 -2.657 -4.583 186 HB2 LEU 23 HB2 LEU 23 1.253 -4.411 -3.235 187 HB3 LEU 23 HB3 LEU 23 1.799 -3.187 -2.112 188 HG LEU 23 HG LEU 23 -0.277 -2.497 -3.130 189 HD11 LEU 23 HD11 LEU 23 1.323 -0.729 -2.635 190 HD12 LEU 23 HD12 LEU 23 0.361 -0.334 -4.060 191 HD13 LEU 23 HD13 LEU 23 2.020 -0.899 -4.246 192 HD21 LEU 23 HD21 LEU 23 -0.459 -2.087 -5.529 193 HD22 LEU 23 HD22 LEU 23 -0.169 -3.789 -5.164 194 HD23 LEU 23 HD23 LEU 23 1.146 -2.778 -5.760 195 H MET 24 H MET 24 4.083 -4.992 -2.087 196 HA MET 24 HA MET 24 5.267 -3.054 -0.370 197 HB2 MET 24 HB2 MET 24 5.677 -6.035 -0.571 198 HB3 MET 24 HB3 MET 24 6.482 -5.032 0.627 199 HG2 MET 24 HG2 MET 24 4.201 -4.290 1.369 200 HG3 MET 24 HG3 MET 24 3.547 -5.560 0.334 201 HE1 MET 24 HE1 MET 24 3.121 -6.923 4.000 202 HE2 MET 24 HE2 MET 24 2.286 -6.544 2.493 203 HE3 MET 24 HE3 MET 24 3.003 -5.249 3.452 204 H GLU 25 H GLU 25 6.512 -5.040 -3.006 205 HA GLU 25 HA GLU 25 9.246 -4.450 -2.626 206 HB2 GLU 25 HB2 GLU 25 7.739 -5.313 -5.105 207 HB3 GLU 25 HB3 GLU 25 9.491 -5.264 -4.976 208 HG2 GLU 25 HG2 GLU 25 9.442 -6.924 -3.216 209 HG3 GLU 25 HG3 GLU 25 7.676 -6.931 -3.250 210 H ASN 26 H ASN 26 6.727 -2.888 -4.554 211 HA ASN 26 HA ASN 26 8.505 -0.994 -5.765 212 HB2 ASN 26 HB2 ASN 26 5.561 -1.412 -5.750 213 HB3 ASN 26 HB3 ASN 26 6.175 0.169 -6.217 214 HD21 ASN 26 HD21 ASN 26 5.878 -3.152 -7.094 215 HD22 ASN 26 HD22 ASN 26 6.456 -2.973 -8.720 216 H ILE 27 H ILE 27 6.432 -0.987 -2.922 217 HA ILE 27 HA ILE 27 6.674 1.808 -2.445 218 HB ILE 27 HB ILE 27 5.644 -0.495 -0.826 219 HG12 ILE 27 HG12 ILE 27 4.405 2.130 -1.680 220 HG13 ILE 27 HG13 ILE 27 4.303 0.636 -2.600 221 HG21 ILE 27 HG21 ILE 27 6.813 0.835 0.847 222 HG22 ILE 27 HG22 ILE 27 5.067 0.994 1.033 223 HG23 ILE 27 HG23 ILE 27 5.995 2.293 0.279 224 HD11 ILE 27 HD11 ILE 27 3.063 -0.400 -0.769 225 HD12 ILE 27 HD12 ILE 27 2.264 1.055 -1.362 226 HD13 ILE 27 HD13 ILE 27 3.169 1.101 0.152 227 H ASN 28 H ASN 28 8.433 -1.022 -1.158 228 HA ASN 28 HA ASN 28 10.082 0.479 0.599 229 HB2 ASN 28 HB2 ASN 28 10.163 -2.303 -0.460 230 HB3 ASN 28 HB3 ASN 28 11.614 -1.656 0.295 231 HD21 ASN 28 HD21 ASN 28 8.374 -2.761 0.807 232 HD22 ASN 28 HD22 ASN 28 8.430 -2.733 2.540 233 H ALA 29 H ALA 29 10.439 -0.442 -2.769 234 HA ALA 29 HA ALA 29 13.147 0.420 -3.026 235 HB1 ALA 29 HB1 ALA 29 11.046 0.059 -5.163 236 HB2 ALA 29 HB2 ALA 29 12.143 -1.188 -4.574 237 HB3 ALA 29 HB3 ALA 29 12.782 0.216 -5.428 238 H ALA 30 H ALA 30 10.041 2.008 -3.260 239 HA ALA 30 HA ALA 30 11.318 4.447 -4.263 240 HB1 ALA 30 HB1 ALA 30 9.521 3.558 -5.658 241 HB2 ALA 30 HB2 ALA 30 9.133 5.157 -5.018 242 HB3 ALA 30 HB3 ALA 30 8.399 3.715 -4.310 243 H LEU 31 H LEU 31 11.027 3.424 -1.334 244 HA LEU 31 HA LEU 31 9.402 5.169 0.092 245 HB2 LEU 31 HB2 LEU 31 12.035 3.952 0.862 246 HB3 LEU 31 HB3 LEU 31 11.095 4.934 1.964 247 HG LEU 31 HG LEU 31 10.172 2.332 0.730 248 HD11 LEU 31 HD11 LEU 31 11.109 2.959 3.528 249 HD12 LEU 31 HD12 LEU 31 11.990 2.015 2.327 250 HD13 LEU 31 HD13 LEU 31 10.463 1.414 2.973 251 HD21 LEU 31 HD21 LEU 31 8.333 2.473 2.331 252 HD22 LEU 31 HD22 LEU 31 8.319 3.848 1.226 253 HD23 LEU 31 HD23 LEU 31 8.916 4.048 2.873 254 HA PRO 32 HA PRO 32 12.618 8.667 0.066 255 HB2 PRO 32 HB2 PRO 32 14.906 8.558 -1.330 256 HB3 PRO 32 HB3 PRO 32 14.760 7.877 0.294 257 HG2 PRO 32 HG2 PRO 32 14.757 6.501 -2.347 258 HG3 PRO 32 HG3 PRO 32 15.478 5.990 -0.812 259 HD2 PRO 32 HD2 PRO 32 13.065 5.092 -1.827 260 HD3 PRO 32 HD3 PRO 32 13.565 4.991 -0.129 261 H PHE 33 H PHE 33 11.286 7.215 -2.586 262 HA PHE 33 HA PHE 33 11.867 9.447 -4.404 263 HB2 PHE 33 HB2 PHE 33 10.734 6.698 -4.954 264 HB3 PHE 33 HB3 PHE 33 10.895 7.960 -6.175 265 HD1 PHE 33 HD2 PHE 33 13.284 8.952 -6.469 266 HD2 PHE 33 HD1 PHE 33 12.470 5.207 -4.624 267 HE1 PHE 33 HE2 PHE 33 15.605 8.253 -6.870 268 HE2 PHE 33 HE1 PHE 33 14.794 4.503 -5.017 269 HZ PHE 33 HZ PHE 33 16.363 6.027 -6.143 270 H MET 34 H MET 34 9.275 7.756 -2.750 271 HA MET 34 HA MET 34 7.250 9.593 -3.681 272 HB2 MET 34 HB2 MET 34 5.750 8.475 -2.139 273 HB3 MET 34 HB3 MET 34 6.687 7.251 -2.980 274 HG2 MET 34 HG2 MET 34 8.125 6.994 -1.028 275 HG3 MET 34 HG3 MET 34 7.225 8.252 -0.183 276 HE1 MET 34 HE1 MET 34 5.709 3.991 -1.108 277 HE2 MET 34 HE2 MET 34 7.372 4.546 -1.313 278 HE3 MET 34 HE3 MET 34 6.110 5.122 -2.401 279 H ASP 35 H ASP 35 5.984 10.824 -1.916 280 HA ASP 35 HA ASP 35 7.722 12.693 -0.657 281 HB2 ASP 35 HB2 ASP 35 5.420 13.195 -1.522 282 HB3 ASP 35 HB3 ASP 35 4.763 12.255 -0.180 283 H GLU 36 H GLU 36 7.871 13.156 1.696 284 HA GLU 36 HA GLU 36 8.457 10.801 3.162 285 HB2 GLU 36 HB2 GLU 36 9.680 12.941 3.422 286 HB3 GLU 36 HB3 GLU 36 8.258 13.640 4.181 287 HG2 GLU 36 HG2 GLU 36 8.435 11.993 5.987 288 HG3 GLU 36 HG3 GLU 36 9.886 11.335 5.234 289 H ASP 37 H ASP 37 5.681 12.987 3.176 290 HA ASP 37 HA ASP 37 4.411 11.875 5.485 291 HB2 ASP 37 HB2 ASP 37 3.622 13.720 3.301 292 HB3 ASP 37 HB3 ASP 37 2.319 12.838 4.092 293 H MET 38 H MET 38 4.342 11.224 2.064 294 HA MET 38 HA MET 38 2.266 9.282 2.124 295 HB2 MET 38 HB2 MET 38 3.290 10.686 0.142 296 HB3 MET 38 HB3 MET 38 4.375 9.308 0.002 297 HG2 MET 38 HG2 MET 38 2.484 9.094 -1.502 298 HG3 MET 38 HG3 MET 38 2.464 7.823 -0.278 299 HE1 MET 38 HE1 MET 38 -1.348 8.486 -0.846 300 HE2 MET 38 HE2 MET 38 -0.055 7.286 -0.861 301 HE3 MET 38 HE3 MET 38 -0.090 8.563 -2.079 302 H ARG 39 H ARG 39 5.684 9.222 2.661 303 HA ARG 39 HA ARG 39 6.128 6.417 2.436 304 HB2 ARG 39 HB2 ARG 39 7.908 8.110 2.199 305 HB3 ARG 39 HB3 ARG 39 7.712 8.551 3.889 306 HG2 ARG 39 HG2 ARG 39 8.301 6.126 4.410 307 HG3 ARG 39 HG3 ARG 39 8.825 6.013 2.729 308 HD2 ARG 39 HD2 ARG 39 10.740 6.517 4.039 309 HD3 ARG 39 HD3 ARG 39 10.310 7.980 3.154 310 HE ARG 39 HE ARG 39 9.097 7.965 5.724 311 HH11 ARG 39 HH11 ARG 39 12.208 8.477 4.172 312 HH12 ARG 39 HH12 ARG 39 12.793 9.511 5.442 313 HH21 ARG 39 HH21 ARG 39 9.882 9.279 7.382 314 HH22 ARG 39 HH22 ARG 39 11.478 9.962 7.265 315 H GLU 40 H GLU 40 5.457 8.614 5.151 316 HA GLU 40 HA GLU 40 5.626 6.655 7.179 317 HB2 GLU 40 HB2 GLU 40 4.077 9.252 7.131 318 HB3 GLU 40 HB3 GLU 40 4.318 8.261 8.562 319 HG2 GLU 40 HG2 GLU 40 6.371 9.783 6.989 320 HG3 GLU 40 HG3 GLU 40 5.895 10.013 8.670 321 H LEU 41 H LEU 41 3.005 7.742 5.130 322 HA LEU 41 HA LEU 41 0.965 6.153 6.299 323 HB2 LEU 41 HB2 LEU 41 0.492 8.066 4.837 324 HB3 LEU 41 HB3 LEU 41 1.253 7.240 3.491 325 HG LEU 41 HG LEU 41 -0.537 5.428 3.854 326 HD11 LEU 41 HD11 LEU 41 -1.318 6.196 6.031 327 HD12 LEU 41 HD12 LEU 41 -2.619 6.195 4.839 328 HD13 LEU 41 HD13 LEU 41 -1.854 7.713 5.307 329 HD21 LEU 41 HD21 LEU 41 -2.116 6.634 2.446 330 HD22 LEU 41 HD22 LEU 41 -0.453 6.910 1.928 331 HD23 LEU 41 HD23 LEU 41 -1.312 8.153 2.836 332 H ALA 42 H ALA 42 3.312 5.637 3.715 333 HA ALA 42 HA ALA 42 2.285 3.352 2.541 334 HB1 ALA 42 HB1 ALA 42 4.484 3.031 1.589 335 HB2 ALA 42 HB2 ALA 42 5.177 4.131 2.778 336 HB3 ALA 42 HB3 ALA 42 4.048 4.739 1.566 337 H LYS 43 H LYS 43 4.636 3.598 5.180 338 HA LYS 43 HA LYS 43 5.105 0.816 5.427 339 HB2 LYS 43 HB2 LYS 43 5.475 3.060 7.411 340 HB3 LYS 43 HB3 LYS 43 6.075 1.424 7.638 341 HG2 LYS 43 HG2 LYS 43 7.544 1.638 5.749 342 HG3 LYS 43 HG3 LYS 43 6.852 3.209 5.341 343 HD2 LYS 43 HD2 LYS 43 8.296 2.592 7.920 344 HD3 LYS 43 HD3 LYS 43 9.049 3.340 6.510 345 HE2 LYS 43 HE2 LYS 43 7.478 5.212 6.665 346 HE3 LYS 43 HE3 LYS 43 6.717 4.460 8.065 347 HZ1 LYS 43 HZ1 LYS 43 9.548 5.339 7.932 348 HZ2 LYS 43 HZ2 LYS 43 8.768 4.691 9.290 349 HZ3 LYS 43 HZ3 LYS 43 8.297 6.202 8.678 350 H ARG 44 H ARG 44 2.652 2.926 6.725 351 HA ARG 44 HA ARG 44 1.697 1.043 8.672 352 HB2 ARG 44 HB2 ARG 44 0.429 3.557 7.591 353 HB3 ARG 44 HB3 ARG 44 -0.175 2.629 8.957 354 HG2 ARG 44 HG2 ARG 44 1.999 3.040 10.102 355 HG3 ARG 44 HG3 ARG 44 2.431 4.111 8.768 356 HD2 ARG 44 HD2 ARG 44 1.583 5.488 10.487 357 HD3 ARG 44 HD3 ARG 44 0.324 5.386 9.254 358 HE ARG 44 HE ARG 44 -0.006 3.399 11.268 359 HH11 ARG 44 HH11 ARG 44 -0.574 6.793 10.559 360 HH12 ARG 44 HH12 ARG 44 -1.847 6.946 11.734 361 HH21 ARG 44 HH21 ARG 44 -1.655 3.627 12.826 362 HH22 ARG 44 HH22 ARG 44 -2.450 5.158 13.021 363 H THR 45 H THR 45 0.842 1.941 5.369 364 HA THR 45 HA THR 45 -1.487 0.299 5.225 365 HB THR 45 HB THR 45 0.194 1.284 2.905 366 HG1 THR 45 HG1 THR 45 -1.773 2.575 4.500 367 HG21 THR 45 HG21 THR 45 -2.753 0.612 3.106 368 HG22 THR 45 HG22 THR 45 -1.526 -0.363 2.298 369 HG23 THR 45 HG23 THR 45 -1.929 1.236 1.673 370 H LEU 46 H LEU 46 1.956 -0.223 4.690 371 HA LEU 46 HA LEU 46 1.733 -2.813 3.569 372 HB2 LEU 46 HB2 LEU 46 3.963 -1.651 5.229 373 HB3 LEU 46 HB3 LEU 46 4.056 -3.158 4.344 374 HG LEU 46 HG LEU 46 3.903 -0.365 3.234 375 HD11 LEU 46 HD11 LEU 46 6.003 -1.030 2.171 376 HD12 LEU 46 HD12 LEU 46 5.902 -2.596 2.983 377 HD13 LEU 46 HD13 LEU 46 6.084 -1.120 3.931 378 HD21 LEU 46 HD21 LEU 46 3.858 -1.312 1.004 379 HD22 LEU 46 HD22 LEU 46 2.423 -1.809 1.905 380 HD23 LEU 46 HD23 LEU 46 3.755 -2.941 1.673 381 H ALA 47 H ALA 47 1.664 -1.647 6.884 382 HA ALA 47 HA ALA 47 1.695 -4.240 8.096 383 HB1 ALA 47 HB1 ALA 47 2.326 -2.226 9.338 384 HB2 ALA 47 HB2 ALA 47 0.999 -3.082 10.128 385 HB3 ALA 47 HB3 ALA 47 0.677 -1.621 9.195 386 H LYS 48 H LYS 48 -0.689 -2.363 6.499 387 HA LYS 48 HA LYS 48 -2.998 -3.636 7.636 388 HB2 LYS 48 HB2 LYS 48 -2.704 -2.024 5.094 389 HB3 LYS 48 HB3 LYS 48 -4.225 -2.510 5.818 390 HG2 LYS 48 HG2 LYS 48 -2.227 -0.717 7.164 391 HG3 LYS 48 HG3 LYS 48 -3.576 -0.139 6.190 392 HD2 LYS 48 HD2 LYS 48 -5.151 -1.173 7.710 393 HD3 LYS 48 HD3 LYS 48 -3.819 -1.832 8.670 394 HE2 LYS 48 HE2 LYS 48 -3.037 0.469 9.103 395 HE3 LYS 48 HE3 LYS 48 -4.428 1.087 8.214 396 HZ1 LYS 48 HZ1 LYS 48 -4.814 1.131 10.592 397 HZ2 LYS 48 HZ2 LYS 48 -4.535 -0.537 10.695 398 HZ3 LYS 48 HZ3 LYS 48 -5.880 0.043 9.847 399 H ILE 49 H ILE 49 -1.190 -3.859 4.554 400 HA ILE 49 HA ILE 49 -2.885 -5.999 3.638 401 HB ILE 49 HB ILE 49 -1.299 -6.122 1.676 402 HG12 ILE 49 HG12 ILE 49 -0.228 -3.555 2.875 403 HG13 ILE 49 HG13 ILE 49 0.663 -5.066 2.733 404 HG21 ILE 49 HG21 ILE 49 -3.427 -5.035 1.530 405 HG22 ILE 49 HG22 ILE 49 -2.224 -4.101 0.642 406 HG23 ILE 49 HG23 ILE 49 -2.763 -3.555 2.232 407 HD11 ILE 49 HD11 ILE 49 0.532 -4.898 0.291 408 HD12 ILE 49 HD12 ILE 49 1.330 -3.499 1.013 409 HD13 ILE 49 HD13 ILE 49 -0.340 -3.372 0.452 410 H ALA 50 H ALA 50 -0.031 -5.883 5.511 411 HA ALA 50 HA ALA 50 1.477 -8.022 4.928 412 HB1 ALA 50 HB1 ALA 50 2.096 -8.186 7.228 413 HB2 ALA 50 HB2 ALA 50 0.606 -7.382 7.722 414 HB3 ALA 50 HB3 ALA 50 1.817 -6.490 6.806 415 HA PRO 51 HA PRO 51 -1.231 -11.489 6.761 416 HB2 PRO 51 HB2 PRO 51 -3.729 -11.123 7.619 417 HB3 PRO 51 HB3 PRO 51 -2.336 -10.757 8.639 418 HG2 PRO 51 HG2 PRO 51 -4.047 -8.895 7.043 419 HG3 PRO 51 HG3 PRO 51 -3.444 -8.718 8.701 420 HD2 PRO 51 HD2 PRO 51 -2.287 -7.542 6.523 421 HD3 PRO 51 HD3 PRO 51 -1.414 -7.955 8.011 422 H LEU 52 H LEU 52 -1.603 -10.000 4.066 423 HA LEU 52 HA LEU 52 -4.003 -11.415 3.176 424 HB2 LEU 52 HB2 LEU 52 -2.475 -9.164 1.901 425 HB3 LEU 52 HB3 LEU 52 -3.673 -10.099 1.024 426 HG LEU 52 HG LEU 52 -4.189 -8.454 3.505 427 HD11 LEU 52 HD11 LEU 52 -3.798 -7.099 1.521 428 HD12 LEU 52 HD12 LEU 52 -5.494 -7.036 2.002 429 HD13 LEU 52 HD13 LEU 52 -5.001 -8.034 0.634 430 HD21 LEU 52 HD21 LEU 52 -6.543 -8.992 3.126 431 HD22 LEU 52 HD22 LEU 52 -5.597 -10.458 3.402 432 HD23 LEU 52 HD23 LEU 52 -6.093 -10.027 1.767 433 H THR 53 H THR 53 -4.051 -12.786 1.538 434 HA THR 53 HA THR 53 -1.556 -14.247 1.063 435 HB THR 53 HB THR 53 -4.452 -15.117 0.800 436 HG1 THR 53 HG1 THR 53 -2.668 -15.054 2.986 437 HG21 THR 53 HG21 THR 53 -2.972 -16.615 -0.374 438 HG22 THR 53 HG22 THR 53 -3.603 -17.384 1.084 439 HG23 THR 53 HG23 THR 53 -1.949 -16.766 1.052 440 H GLU 54 H GLU 54 -2.580 -11.843 -0.452 441 HA GLU 54 HA GLU 54 -2.060 -10.962 -2.482 442 HB2 GLU 54 HB2 GLU 54 -1.606 -13.756 -3.562 443 HB3 GLU 54 HB3 GLU 54 -1.214 -12.260 -4.385 444 HG2 GLU 54 HG2 GLU 54 0.073 -13.364 -1.920 445 HG3 GLU 54 HG3 GLU 54 0.778 -13.227 -3.531 446 H ASN 55 H ASN 55 -3.973 -13.935 -2.824 447 HA ASN 55 HA ASN 55 -5.464 -13.039 -5.069 448 HB2 ASN 55 HB2 ASN 55 -5.076 -15.419 -4.533 449 HB3 ASN 55 HB3 ASN 55 -6.061 -15.250 -3.088 450 HD21 ASN 55 HD21 ASN 55 -6.080 -15.347 -6.570 451 HD22 ASN 55 HD22 ASN 55 -7.773 -15.665 -6.743 452 H GLU 56 H GLU 56 -5.952 -12.906 -1.603 453 HA GLU 56 HA GLU 56 -8.590 -11.957 -1.591 454 HB2 GLU 56 HB2 GLU 56 -6.343 -11.799 0.377 455 HB3 GLU 56 HB3 GLU 56 -7.855 -10.962 0.683 456 HG2 GLU 56 HG2 GLU 56 -7.942 -13.024 1.834 457 HG3 GLU 56 HG3 GLU 56 -9.018 -13.161 0.453 458 H TYR 57 H TYR 57 -5.477 -10.347 -1.858 459 HA TYR 57 HA TYR 57 -6.552 -7.689 -1.837 460 HB2 TYR 57 HB2 TYR 57 -4.217 -8.044 -1.171 461 HB3 TYR 57 HB3 TYR 57 -3.835 -8.695 -2.762 462 HD1 TYR 57 HD1 TYR 57 -4.704 -5.591 -0.910 463 HD2 TYR 57 HD2 TYR 57 -3.391 -7.245 -4.608 464 HE1 TYR 57 HE1 TYR 57 -4.149 -3.337 -1.733 465 HE2 TYR 57 HE2 TYR 57 -2.828 -5.004 -5.423 466 HH TYR 57 HH TYR 57 -3.500 -2.690 -4.993 467 H ALA 58 H ALA 58 -6.062 -10.158 -4.274 468 HA ALA 58 HA ALA 58 -6.189 -8.404 -6.534 469 HB1 ALA 58 HB1 ALA 58 -6.723 -11.368 -6.374 470 HB2 ALA 58 HB2 ALA 58 -5.154 -10.619 -6.672 471 HB3 ALA 58 HB3 ALA 58 -6.456 -10.442 -7.851 472 H GLU 59 H GLU 59 -8.547 -9.896 -4.474 473 HA GLU 59 HA GLU 59 -10.803 -9.481 -6.198 474 HB2 GLU 59 HB2 GLU 59 -10.595 -10.098 -3.242 475 HB3 GLU 59 HB3 GLU 59 -12.111 -10.038 -4.132 476 HG2 GLU 59 HG2 GLU 59 -11.449 -11.878 -5.504 477 HG3 GLU 59 HG3 GLU 59 -9.831 -11.875 -4.802 478 H LEU 60 H LEU 60 -9.149 -7.628 -3.735 479 HA LEU 60 HA LEU 60 -11.289 -5.668 -3.516 480 HB2 LEU 60 HB2 LEU 60 -8.549 -5.650 -2.236 481 HB3 LEU 60 HB3 LEU 60 -9.890 -4.601 -1.830 482 HG LEU 60 HG LEU 60 -9.839 -7.594 -1.397 483 HD11 LEU 60 HD11 LEU 60 -8.289 -6.405 0.073 484 HD12 LEU 60 HD12 LEU 60 -9.669 -7.034 0.973 485 HD13 LEU 60 HD13 LEU 60 -9.586 -5.319 0.567 486 HD21 LEU 60 HD21 LEU 60 -12.092 -6.731 -1.792 487 HD22 LEU 60 HD22 LEU 60 -11.847 -5.513 -0.541 488 HD23 LEU 60 HD23 LEU 60 -11.877 -7.222 -0.112 489 H ALA 61 H ALA 61 -7.896 -5.761 -4.403 490 HA ALA 61 HA ALA 61 -6.505 -4.544 -5.644 491 HB1 ALA 61 HB1 ALA 61 -7.235 -3.970 -7.869 492 HB2 ALA 61 HB2 ALA 61 -8.924 -4.085 -7.378 493 HB3 ALA 61 HB3 ALA 61 -7.910 -5.530 -7.394 494 H ILE 62 H ILE 62 -8.186 -2.177 -7.201 495 HA ILE 62 HA ILE 62 -7.521 -0.208 -5.140 496 HB ILE 62 HB ILE 62 -8.484 0.398 -7.944 497 HG12 ILE 62 HG12 ILE 62 -6.447 -0.906 -8.198 498 HG13 ILE 62 HG13 ILE 62 -6.106 0.777 -8.559 499 HG21 ILE 62 HG21 ILE 62 -8.664 2.227 -6.352 500 HG22 ILE 62 HG22 ILE 62 -7.422 2.570 -7.556 501 HG23 ILE 62 HG23 ILE 62 -6.959 2.052 -5.934 502 HD11 ILE 62 HD11 ILE 62 -5.426 -0.654 -5.999 503 HD12 ILE 62 HD12 ILE 62 -5.074 1.037 -6.360 504 HD13 ILE 62 HD13 ILE 62 -4.304 -0.243 -7.297 505 H PHE 63 H PHE 63 -9.114 -0.094 -3.704 506 HA PHE 63 HA PHE 63 -11.811 -0.704 -4.579 507 HB2 PHE 63 HB2 PHE 63 -10.485 -1.672 -2.506 508 HB3 PHE 63 HB3 PHE 63 -11.149 -0.250 -1.707 509 HD1 PHE 63 HD1 PHE 63 -12.133 -3.175 -3.761 510 HD2 PHE 63 HD2 PHE 63 -13.306 -0.315 -0.839 511 HE1 PHE 63 HE1 PHE 63 -14.257 -4.368 -3.458 512 HE2 PHE 63 HE2 PHE 63 -15.437 -1.504 -0.529 513 HZ PHE 63 HZ PHE 63 -15.915 -3.534 -1.840 514 H ALA 64 H ALA 64 -9.984 2.056 -3.471 515 HA ALA 64 HA ALA 64 -12.395 3.680 -3.762 516 HB1 ALA 64 HB1 ALA 64 -12.192 3.248 -1.366 517 HB2 ALA 64 HB2 ALA 64 -11.944 4.954 -1.741 518 HB3 ALA 64 HB3 ALA 64 -10.562 3.918 -1.384 519 H ALA 65 H ALA 65 -11.516 4.344 -5.753 520 HA ALA 65 HA ALA 65 -9.396 6.373 -5.427 521 HB1 ALA 65 HB1 ALA 65 -9.971 4.714 -7.882 522 HB2 ALA 65 HB2 ALA 65 -8.607 4.504 -6.782 523 HB3 ALA 65 HB3 ALA 65 -8.745 5.974 -7.748 524 H ASP 66 H ASP 66 -12.465 6.290 -5.366 525 HA ASP 66 HA ASP 66 -13.192 8.045 -7.533 526 HB2 ASP 66 HB2 ASP 66 -14.725 6.934 -5.187 527 HB3 ASP 66 HB3 ASP 66 -15.427 8.075 -6.329 528 H GLU 67 H GLU 67 -12.366 8.298 -4.154 529 HA GLU 67 HA GLU 67 -13.227 11.074 -4.055 530 HB2 GLU 67 HB2 GLU 67 -12.129 9.243 -1.930 531 HB3 GLU 67 HB3 GLU 67 -12.580 10.917 -1.641 532 HG2 GLU 67 HG2 GLU 67 -14.383 8.649 -2.446 533 HG3 GLU 67 HG3 GLU 67 -14.327 9.470 -0.888 534 H VAL 68 H VAL 68 -10.508 9.580 -5.161 535 HA VAL 68 HA VAL 68 -8.611 11.453 -3.997 536 HB VAL 68 HB VAL 68 -6.851 10.340 -5.184 537 HG11 VAL 68 HG11 VAL 68 -7.634 9.202 -3.191 538 HG12 VAL 68 HG12 VAL 68 -7.062 8.038 -4.388 539 HG13 VAL 68 HG13 VAL 68 -8.792 8.284 -4.153 540 HG21 VAL 68 HG21 VAL 68 -7.888 9.984 -7.352 541 HG22 VAL 68 HG22 VAL 68 -8.929 8.741 -6.660 542 HG23 VAL 68 HG23 VAL 68 -7.184 8.487 -6.736 543 H LEU 69 H LEU 69 -10.317 10.927 -7.018 544 HA LEU 69 HA LEU 69 -9.200 13.352 -8.170 545 HB2 LEU 69 HB2 LEU 69 -11.232 11.413 -9.283 546 HB3 LEU 69 HB3 LEU 69 -10.567 12.786 -10.145 547 HG LEU 69 HG LEU 69 -8.995 10.379 -9.209 548 HD11 LEU 69 HD11 LEU 69 -9.930 11.204 -11.952 549 HD12 LEU 69 HD12 LEU 69 -10.509 9.826 -11.013 550 HD13 LEU 69 HD13 LEU 69 -8.845 9.861 -11.599 551 HD21 LEU 69 HD21 LEU 69 -8.158 12.733 -10.908 552 HD22 LEU 69 HD22 LEU 69 -7.175 11.310 -10.562 553 HD23 LEU 69 HD23 LEU 69 -7.627 12.407 -9.257 554 H GLU 70 H GLU 70 -10.093 15.216 -7.782 555 HA GLU 70 HA GLU 70 -11.351 16.816 -6.818 556 HB2 GLU 70 HB2 GLU 70 -13.244 15.377 -8.217 557 HB3 GLU 70 HB3 GLU 70 -13.897 15.366 -6.587 558 HG2 GLU 70 HG2 GLU 70 -12.979 17.945 -7.745 559 HG3 GLU 70 HG3 GLU 70 -14.497 17.255 -8.310 560 H HIS 71 H HIS 71 -12.284 17.390 -4.767 561 HA HIS 71 HA HIS 71 -12.702 17.307 -2.559 562 HB2 HIS 71 HB2 HIS 71 -12.742 14.314 -2.927 563 HB3 HIS 71 HB3 HIS 71 -12.953 15.078 -1.345 564 HD1 HIS 71 HD1 HIS 71 -15.188 13.401 -2.882 565 HD2 HIS 71 HD2 HIS 71 -14.924 17.544 -2.716 566 HE1 HIS 71 HE1 HIS 71 -17.493 14.254 -3.375 567 HE2 HIS 71 HE2 HIS 71 -17.245 16.756 -3.497 568 H HIS 72 H HIS 72 -10.141 14.984 -3.410 569 HA HIS 72 HA HIS 72 -8.512 16.182 -1.279 570 HB2 HIS 72 HB2 HIS 72 -8.271 13.565 -2.741 571 HB3 HIS 72 HB3 HIS 72 -6.938 14.228 -1.803 572 HD1 HIS 72 HD1 HIS 72 -10.039 12.308 -1.497 573 HD2 HIS 72 HD2 HIS 72 -7.544 14.462 1.031 574 HE1 HIS 72 HE1 HIS 72 -10.660 11.597 0.829 575 HE2 HIS 72 HE2 HIS 72 -9.000 12.764 2.320 576 H HIS 73 H HIS 73 -9.056 16.383 -4.571 577 HA HIS 73 HA HIS 73 -6.326 17.311 -5.113 578 HB2 HIS 73 HB2 HIS 73 -7.182 15.599 -6.669 579 HB3 HIS 73 HB3 HIS 73 -8.556 16.624 -7.057 580 HD1 HIS 73 HD1 HIS 73 -4.789 16.497 -7.531 581 HD2 HIS 73 HD2 HIS 73 -8.124 18.422 -9.095 582 HE1 HIS 73 HE1 HIS 73 -3.967 17.743 -9.551 583 HE2 HIS 73 HE2 HIS 73 -5.967 19.046 -10.365 584 H HIS 74 H HIS 74 -6.327 19.317 -4.258 585 HA HIS 74 HA HIS 74 -7.535 21.379 -5.842 586 HB2 HIS 74 HB2 HIS 74 -9.208 20.678 -3.908 587 HB3 HIS 74 HB3 HIS 74 -8.133 21.655 -2.917 588 HD1 HIS 74 HD1 HIS 74 -8.365 24.180 -3.093 589 HD2 HIS 74 HD2 HIS 74 -10.568 22.133 -5.963 590 HE1 HIS 74 HE1 HIS 74 -9.794 25.913 -4.221 591 HE2 HIS 74 HE2 HIS 74 -10.935 24.685 -6.097 592 H HIS 75 H HIS 75 -6.500 23.412 -5.528 593 HA HIS 75 HA HIS 75 -3.919 23.248 -4.180 594 HB2 HIS 75 HB2 HIS 75 -5.104 25.318 -6.037 595 HB3 HIS 75 HB3 HIS 75 -3.547 25.516 -5.244 596 HD1 HIS 75 HD1 HIS 75 -1.576 24.072 -6.119 597 HD2 HIS 75 HD2 HIS 75 -5.142 23.516 -8.181 598 HE1 HIS 75 HE1 HIS 75 -0.968 22.802 -8.195 599 HE2 HIS 75 HE2 HIS 75 -3.159 22.340 -9.347 600 H HIS 76 H HIS 76 -3.175 25.222 -2.947 601 HA HIS 76 HA HIS 76 -5.356 26.342 -1.317 602 HB2 HIS 76 HB2 HIS 76 -4.216 24.357 -0.223 603 HB3 HIS 76 HB3 HIS 76 -2.750 25.324 -0.171 604 HD1 HIS 76 HD1 HIS 76 -2.427 26.714 1.873 605 HD2 HIS 76 HD2 HIS 76 -6.390 25.563 1.367 606 HE1 HIS 76 HE1 HIS 76 -3.628 27.473 3.950 607 HE2 HIS 76 HE2 HIS 76 -6.008 26.693 3.656 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -14.340 -2.128 2.692 2 H2 MET 1 H2 MET 1 -13.328 -0.878 3.228 3 H3 MET 1 H3 MET 1 -13.987 -1.972 4.343 4 HA MET 1 HA MET 1 -12.734 -3.766 3.417 5 HB2 MET 1 HB2 MET 1 -12.747 -2.756 1.094 6 HB3 MET 1 HB3 MET 1 -11.450 -1.692 1.621 7 HG2 MET 1 HG2 MET 1 -11.087 -4.612 1.984 8 HG3 MET 1 HG3 MET 1 -11.006 -3.972 0.344 9 HE1 MET 1 HE1 MET 1 -9.146 -2.312 -0.509 10 HE2 MET 1 HE2 MET 1 -7.994 -1.507 0.559 11 HE3 MET 1 HE3 MET 1 -9.717 -1.152 0.688 12 H ILE 2 H ILE 2 -11.898 -3.927 5.369 13 HA ILE 2 HA ILE 2 -10.754 -3.587 7.294 14 HB ILE 2 HB ILE 2 -8.572 -2.168 5.716 15 HG12 ILE 2 HG12 ILE 2 -9.034 -5.170 5.842 16 HG13 ILE 2 HG13 ILE 2 -9.327 -4.172 4.424 17 HG21 ILE 2 HG21 ILE 2 -8.469 -4.133 8.025 18 HG22 ILE 2 HG22 ILE 2 -8.230 -2.389 8.138 19 HG23 ILE 2 HG23 ILE 2 -7.072 -3.380 7.252 20 HD11 ILE 2 HD11 ILE 2 -6.651 -4.621 5.732 21 HD12 ILE 2 HD12 ILE 2 -6.953 -3.658 4.286 22 HD13 ILE 2 HD13 ILE 2 -7.231 -5.400 4.259 23 H ARG 3 H ARG 3 -9.131 -1.257 8.114 24 HA ARG 3 HA ARG 3 -11.088 0.906 7.814 25 HB2 ARG 3 HB2 ARG 3 -9.326 0.129 10.087 26 HB3 ARG 3 HB3 ARG 3 -9.624 1.843 9.844 27 HG2 ARG 3 HG2 ARG 3 -11.221 1.111 11.414 28 HG3 ARG 3 HG3 ARG 3 -12.086 1.307 9.890 29 HD2 ARG 3 HD2 ARG 3 -11.876 -1.126 9.506 30 HD3 ARG 3 HD3 ARG 3 -11.111 -1.283 11.086 31 HE ARG 3 HE ARG 3 -13.852 -0.235 10.775 32 HH11 ARG 3 HH11 ARG 3 -11.624 -2.490 12.266 33 HH12 ARG 3 HH12 ARG 3 -12.802 -3.098 13.386 34 HH21 ARG 3 HH21 ARG 3 -15.396 -1.070 12.222 35 HH22 ARG 3 HH22 ARG 3 -14.937 -2.307 13.354 36 H LEU 4 H LEU 4 -9.104 0.133 5.914 37 HA LEU 4 HA LEU 4 -6.977 2.007 5.842 38 HB2 LEU 4 HB2 LEU 4 -8.308 0.337 3.721 39 HB3 LEU 4 HB3 LEU 4 -6.971 1.416 3.376 40 HG LEU 4 HG LEU 4 -6.787 -0.828 5.383 41 HD11 LEU 4 HD11 LEU 4 -7.297 -1.751 3.201 42 HD12 LEU 4 HD12 LEU 4 -5.617 -2.072 3.636 43 HD13 LEU 4 HD13 LEU 4 -6.000 -0.799 2.476 44 HD21 LEU 4 HD21 LEU 4 -5.152 0.982 5.632 45 HD22 LEU 4 HD22 LEU 4 -4.688 0.794 3.940 46 HD23 LEU 4 HD23 LEU 4 -4.386 -0.511 5.088 47 H THR 5 H THR 5 -6.992 4.037 5.305 48 HA THR 5 HA THR 5 -9.487 5.337 4.708 49 HB THR 5 HB THR 5 -6.942 6.886 4.677 50 HG1 THR 5 HG1 THR 5 -6.654 5.304 6.393 51 HG21 THR 5 HG21 THR 5 -9.569 7.220 6.116 52 HG22 THR 5 HG22 THR 5 -9.133 7.984 4.586 53 HG23 THR 5 HG23 THR 5 -8.261 8.404 6.062 54 H ILE 6 H ILE 6 -9.472 7.091 2.962 55 HA ILE 6 HA ILE 6 -9.183 5.797 0.464 56 HB ILE 6 HB ILE 6 -9.765 8.726 0.952 57 HG12 ILE 6 HG12 ILE 6 -11.282 7.343 2.288 58 HG13 ILE 6 HG13 ILE 6 -12.145 8.109 0.963 59 HG21 ILE 6 HG21 ILE 6 -10.506 6.946 -1.365 60 HG22 ILE 6 HG22 ILE 6 -9.321 8.251 -1.387 61 HG23 ILE 6 HG23 ILE 6 -11.029 8.617 -1.144 62 HD11 ILE 6 HD11 ILE 6 -12.875 5.817 1.299 63 HD12 ILE 6 HD12 ILE 6 -11.227 5.243 1.045 64 HD13 ILE 6 HD13 ILE 6 -12.106 6.009 -0.279 65 H GLU 7 H GLU 7 -7.128 7.986 2.183 66 HA GLU 7 HA GLU 7 -5.377 8.671 0.041 67 HB2 GLU 7 HB2 GLU 7 -4.718 8.594 2.994 68 HB3 GLU 7 HB3 GLU 7 -3.850 9.468 1.748 69 HG2 GLU 7 HG2 GLU 7 -5.028 11.151 2.720 70 HG3 GLU 7 HG3 GLU 7 -6.131 10.691 1.423 71 H GLU 8 H GLU 8 -5.563 6.029 2.340 72 HA GLU 8 HA GLU 8 -2.950 4.981 1.845 73 HB2 GLU 8 HB2 GLU 8 -5.364 3.673 3.109 74 HB3 GLU 8 HB3 GLU 8 -3.727 3.031 3.128 75 HG2 GLU 8 HG2 GLU 8 -2.993 5.064 4.323 76 HG3 GLU 8 HG3 GLU 8 -4.677 5.572 4.422 77 H THR 9 H THR 9 -6.189 4.271 0.643 78 HA THR 9 HA THR 9 -5.387 2.123 -1.052 79 HB THR 9 HB THR 9 -7.660 2.799 -2.193 80 HG1 THR 9 HG1 THR 9 -8.608 4.416 -1.237 81 HG21 THR 9 HG21 THR 9 -7.297 0.764 -0.919 82 HG22 THR 9 HG22 THR 9 -8.850 1.484 -0.492 83 HG23 THR 9 HG23 THR 9 -7.468 1.653 0.593 84 H ASN 10 H ASN 10 -5.553 5.600 -1.407 85 HA ASN 10 HA ASN 10 -5.103 5.799 -4.182 86 HB2 ASN 10 HB2 ASN 10 -5.760 7.734 -2.876 87 HB3 ASN 10 HB3 ASN 10 -4.297 7.625 -1.909 88 HD21 ASN 10 HD21 ASN 10 -4.899 7.571 -5.432 89 HD22 ASN 10 HD22 ASN 10 -3.812 8.865 -5.783 90 H LEU 11 H LEU 11 -2.899 5.480 -1.444 91 HA LEU 11 HA LEU 11 -0.423 5.664 -2.760 92 HB2 LEU 11 HB2 LEU 11 -0.435 5.810 -0.423 93 HB3 LEU 11 HB3 LEU 11 -1.402 4.365 -0.240 94 HG LEU 11 HG LEU 11 0.616 3.047 -0.998 95 HD11 LEU 11 HD11 LEU 11 2.801 4.109 -0.740 96 HD12 LEU 11 HD12 LEU 11 2.009 5.671 -0.528 97 HD13 LEU 11 HD13 LEU 11 1.877 4.817 -2.064 98 HD21 LEU 11 HD21 LEU 11 -0.093 3.166 1.301 99 HD22 LEU 11 HD22 LEU 11 0.792 4.677 1.516 100 HD23 LEU 11 HD23 LEU 11 1.668 3.178 1.199 101 H LEU 12 H LEU 12 -2.640 2.985 -2.354 102 HA LEU 12 HA LEU 12 -0.938 0.930 -3.342 103 HB2 LEU 12 HB2 LEU 12 -3.956 0.980 -3.341 104 HB3 LEU 12 HB3 LEU 12 -2.917 -0.435 -3.356 105 HG LEU 12 HG LEU 12 -3.207 1.519 -1.072 106 HD11 LEU 12 HD11 LEU 12 -4.185 -1.313 -1.363 107 HD12 LEU 12 HD12 LEU 12 -5.180 0.145 -1.335 108 HD13 LEU 12 HD13 LEU 12 -4.276 -0.334 0.102 109 HD21 LEU 12 HD21 LEU 12 -0.964 0.605 -1.165 110 HD22 LEU 12 HD22 LEU 12 -1.615 -1.031 -1.257 111 HD23 LEU 12 HD23 LEU 12 -1.852 -0.069 0.203 112 H SER 13 H SER 13 -3.263 3.122 -4.761 113 HA SER 13 HA SER 13 -3.304 2.021 -7.373 114 HB2 SER 13 HB2 SER 13 -5.075 3.464 -6.387 115 HB3 SER 13 HB3 SER 13 -3.977 4.836 -6.521 116 HG SER 13 HG SER 13 -3.926 3.876 -8.877 117 H ILE 14 H ILE 14 -1.091 4.209 -5.773 118 HA ILE 14 HA ILE 14 0.048 5.521 -7.986 119 HB ILE 14 HB ILE 14 1.468 4.674 -5.440 120 HG12 ILE 14 HG12 ILE 14 -0.583 5.996 -4.971 121 HG13 ILE 14 HG13 ILE 14 0.894 6.799 -4.461 122 HG21 ILE 14 HG21 ILE 14 2.962 6.572 -5.851 123 HG22 ILE 14 HG22 ILE 14 2.136 6.885 -7.378 124 HG23 ILE 14 HG23 ILE 14 3.029 5.381 -7.152 125 HD11 ILE 14 HD11 ILE 14 -0.680 8.359 -5.443 126 HD12 ILE 14 HD12 ILE 14 -0.685 7.428 -6.943 127 HD13 ILE 14 HD13 ILE 14 0.788 8.240 -6.413 128 H TYR 15 H TYR 15 0.820 2.429 -6.417 129 HA TYR 15 HA TYR 15 2.808 1.942 -8.511 130 HB2 TYR 15 HB2 TYR 15 2.610 0.725 -5.748 131 HB3 TYR 15 HB3 TYR 15 3.838 0.316 -6.948 132 HD1 TYR 15 HD2 TYR 15 5.450 2.089 -7.693 133 HD2 TYR 15 HD1 TYR 15 2.824 2.677 -4.398 134 HE1 TYR 15 HE2 TYR 15 6.804 4.001 -6.963 135 HE2 TYR 15 HE1 TYR 15 4.162 4.607 -3.668 136 HH TYR 15 HH TYR 15 6.496 6.060 -5.641 137 H ASN 16 H ASN 16 1.077 -0.367 -6.460 138 HA ASN 16 HA ASN 16 0.340 -2.477 -6.888 139 HB2 ASN 16 HB2 ASN 16 -1.609 -0.997 -7.363 140 HB3 ASN 16 HB3 ASN 16 -1.196 -1.059 -9.071 141 HD21 ASN 16 HD21 ASN 16 -3.131 -1.973 -9.637 142 HD22 ASN 16 HD22 ASN 16 -3.539 -3.609 -9.260 143 H GLU 17 H GLU 17 2.242 -3.539 -7.571 144 HA GLU 17 HA GLU 17 2.747 -3.667 -10.443 145 HB2 GLU 17 HB2 GLU 17 4.616 -3.332 -8.811 146 HB3 GLU 17 HB3 GLU 17 4.306 -4.944 -8.190 147 HG2 GLU 17 HG2 GLU 17 6.159 -5.099 -9.639 148 HG3 GLU 17 HG3 GLU 17 4.790 -5.827 -10.479 149 H GLY 18 H GLY 18 3.188 -6.324 -8.165 150 HA2 GLY 18 HA2 GLY 18 1.283 -7.924 -9.738 151 HA3 GLY 18 HA3 GLY 18 2.780 -8.575 -9.063 152 H GLY 19 H GLY 19 -0.380 -7.291 -8.319 153 HA2 GLY 19 HA2 GLY 19 -1.804 -7.707 -6.559 154 HA3 GLY 19 HA3 GLY 19 -0.669 -8.926 -5.992 155 H LYS 20 H LYS 20 -0.394 -8.456 -3.923 156 HA LYS 20 HA LYS 20 0.156 -5.686 -3.161 157 HB2 LYS 20 HB2 LYS 20 -0.206 -6.376 -0.853 158 HB3 LYS 20 HB3 LYS 20 -1.554 -6.818 -1.868 159 HG2 LYS 20 HG2 LYS 20 -1.408 -8.679 -0.573 160 HG3 LYS 20 HG3 LYS 20 -0.365 -9.161 -1.909 161 HD2 LYS 20 HD2 LYS 20 1.604 -8.640 -0.653 162 HD3 LYS 20 HD3 LYS 20 0.657 -7.881 0.624 163 HE2 LYS 20 HE2 LYS 20 1.477 -10.121 1.207 164 HE3 LYS 20 HE3 LYS 20 -0.277 -9.974 1.262 165 HZ1 LYS 20 HZ1 LYS 20 1.255 -11.162 -0.986 166 HZ2 LYS 20 HZ2 LYS 20 -0.424 -11.098 -0.833 167 HZ3 LYS 20 HZ3 LYS 20 0.478 -12.044 0.235 168 H ARG 21 H ARG 21 1.718 -8.695 -3.656 169 HA ARG 21 HA ARG 21 3.942 -8.306 -1.926 170 HB2 ARG 21 HB2 ARG 21 3.150 -10.490 -2.931 171 HB3 ARG 21 HB3 ARG 21 3.892 -9.973 -4.433 172 HG2 ARG 21 HG2 ARG 21 6.065 -9.925 -3.377 173 HG3 ARG 21 HG3 ARG 21 5.336 -10.344 -1.828 174 HD2 ARG 21 HD2 ARG 21 6.360 -12.283 -2.891 175 HD3 ARG 21 HD3 ARG 21 4.617 -12.476 -2.712 176 HE ARG 21 HE ARG 21 5.190 -11.425 -5.266 177 HH11 ARG 21 HH11 ARG 21 5.487 -14.405 -3.452 178 HH12 ARG 21 HH12 ARG 21 5.403 -15.415 -4.861 179 HH21 ARG 21 HH21 ARG 21 5.082 -12.756 -7.102 180 HH22 ARG 21 HH22 ARG 21 5.189 -14.481 -6.928 181 H GLY 22 H GLY 22 3.565 -7.947 -5.442 182 HA2 GLY 22 HA2 GLY 22 6.052 -6.647 -5.871 183 HA3 GLY 22 HA3 GLY 22 4.688 -6.660 -6.979 184 H LEU 23 H LEU 23 2.867 -5.478 -5.052 185 HA LEU 23 HA LEU 23 3.286 -2.711 -5.359 186 HB2 LEU 23 HB2 LEU 23 1.089 -3.508 -5.078 187 HB3 LEU 23 HB3 LEU 23 1.504 -4.395 -3.630 188 HG LEU 23 HG LEU 23 1.736 -2.227 -2.440 189 HD11 LEU 23 HD11 LEU 23 0.535 -1.082 -4.948 190 HD12 LEU 23 HD12 LEU 23 2.153 -0.752 -4.328 191 HD13 LEU 23 HD13 LEU 23 0.736 -0.230 -3.416 192 HD21 LEU 23 HD21 LEU 23 -0.242 -3.580 -2.280 193 HD22 LEU 23 HD22 LEU 23 -0.903 -2.809 -3.721 194 HD23 LEU 23 HD23 LEU 23 -0.654 -1.866 -2.251 195 H MET 24 H MET 24 3.920 -4.888 -2.618 196 HA MET 24 HA MET 24 4.862 -2.910 -0.820 197 HB2 MET 24 HB2 MET 24 5.198 -5.892 -0.941 198 HB3 MET 24 HB3 MET 24 6.015 -4.929 0.280 199 HG2 MET 24 HG2 MET 24 3.863 -4.110 1.073 200 HG3 MET 24 HG3 MET 24 3.048 -5.084 -0.150 201 HE1 MET 24 HE1 MET 24 1.558 -6.086 1.860 202 HE2 MET 24 HE2 MET 24 2.481 -5.132 3.021 203 HE3 MET 24 HE3 MET 24 2.253 -6.862 3.285 204 H GLU 25 H GLU 25 6.497 -4.966 -3.208 205 HA GLU 25 HA GLU 25 9.138 -4.205 -2.531 206 HB2 GLU 25 HB2 GLU 25 8.096 -5.104 -5.227 207 HB3 GLU 25 HB3 GLU 25 9.781 -5.060 -4.741 208 HG2 GLU 25 HG2 GLU 25 7.622 -6.857 -3.685 209 HG3 GLU 25 HG3 GLU 25 9.007 -7.307 -4.672 210 H ASN 26 H ASN 26 6.747 -2.851 -4.724 211 HA ASN 26 HA ASN 26 8.450 -0.911 -5.923 212 HB2 ASN 26 HB2 ASN 26 5.618 -1.623 -6.012 213 HB3 ASN 26 HB3 ASN 26 5.932 0.096 -6.221 214 HD21 ASN 26 HD21 ASN 26 6.606 -3.099 -7.471 215 HD22 ASN 26 HD22 ASN 26 7.045 -2.573 -9.061 216 H ILE 27 H ILE 27 6.334 -0.875 -3.113 217 HA ILE 27 HA ILE 27 6.565 1.923 -2.643 218 HB ILE 27 HB ILE 27 5.620 -0.387 -0.954 219 HG12 ILE 27 HG12 ILE 27 4.224 2.057 -2.073 220 HG13 ILE 27 HG13 ILE 27 4.196 0.453 -2.795 221 HG21 ILE 27 HG21 ILE 27 6.669 1.153 0.611 222 HG22 ILE 27 HG22 ILE 27 4.914 1.185 0.784 223 HG23 ILE 27 HG23 ILE 27 5.739 2.491 -0.064 224 HD11 ILE 27 HD11 ILE 27 3.018 -0.400 -0.825 225 HD12 ILE 27 HD12 ILE 27 2.138 0.911 -1.613 226 HD13 ILE 27 HD13 ILE 27 3.033 1.219 -0.125 227 H ASN 28 H ASN 28 8.300 -0.916 -1.348 228 HA ASN 28 HA ASN 28 9.838 0.610 0.503 229 HB2 ASN 28 HB2 ASN 28 9.845 -2.229 -0.380 230 HB3 ASN 28 HB3 ASN 28 11.250 -1.613 0.479 231 HD21 ASN 28 HD21 ASN 28 7.878 -2.435 0.714 232 HD22 ASN 28 HD22 ASN 28 7.783 -2.324 2.440 233 H ALA 29 H ALA 29 10.426 -0.450 -2.804 234 HA ALA 29 HA ALA 29 13.192 0.350 -2.792 235 HB1 ALA 29 HB1 ALA 29 12.373 -1.371 -4.336 236 HB2 ALA 29 HB2 ALA 29 13.137 -0.030 -5.188 237 HB3 ALA 29 HB3 ALA 29 11.378 -0.159 -5.147 238 H ALA 30 H ALA 30 10.144 1.915 -3.487 239 HA ALA 30 HA ALA 30 11.546 4.250 -4.545 240 HB1 ALA 30 HB1 ALA 30 9.720 3.388 -5.909 241 HB2 ALA 30 HB2 ALA 30 9.395 5.028 -5.347 242 HB3 ALA 30 HB3 ALA 30 8.596 3.656 -4.576 243 H LEU 31 H LEU 31 11.107 3.352 -1.581 244 HA LEU 31 HA LEU 31 9.738 5.376 -0.246 245 HB2 LEU 31 HB2 LEU 31 12.124 3.755 0.569 246 HB3 LEU 31 HB3 LEU 31 11.421 4.954 1.633 247 HG LEU 31 HG LEU 31 9.951 2.552 0.535 248 HD11 LEU 31 HD11 LEU 31 11.109 3.048 3.275 249 HD12 LEU 31 HD12 LEU 31 11.729 1.910 2.078 250 HD13 LEU 31 HD13 LEU 31 10.138 1.658 2.796 251 HD21 LEU 31 HD21 LEU 31 8.254 3.130 2.203 252 HD22 LEU 31 HD22 LEU 31 8.474 4.432 1.032 253 HD23 LEU 31 HD23 LEU 31 9.176 4.567 2.645 254 HA PRO 32 HA PRO 32 13.705 8.217 -0.286 255 HB2 PRO 32 HB2 PRO 32 15.173 7.363 -2.680 256 HB3 PRO 32 HB3 PRO 32 15.783 7.759 -1.074 257 HG2 PRO 32 HG2 PRO 32 15.756 5.249 -1.999 258 HG3 PRO 32 HG3 PRO 32 15.483 5.621 -0.287 259 HD2 PRO 32 HD2 PRO 32 13.511 4.932 -2.422 260 HD3 PRO 32 HD3 PRO 32 13.572 4.409 -0.725 261 H PHE 33 H PHE 33 11.982 7.040 -3.043 262 HA PHE 33 HA PHE 33 12.356 9.472 -4.589 263 HB2 PHE 33 HB2 PHE 33 10.801 6.960 -5.229 264 HB3 PHE 33 HB3 PHE 33 11.061 8.305 -6.335 265 HD1 PHE 33 HD2 PHE 33 13.435 8.858 -7.013 266 HD2 PHE 33 HD1 PHE 33 12.385 5.250 -5.021 267 HE1 PHE 33 HE2 PHE 33 15.537 7.831 -7.764 268 HE2 PHE 33 HE1 PHE 33 14.487 4.221 -5.766 269 HZ PHE 33 HZ PHE 33 16.065 5.513 -7.142 270 H MET 34 H MET 34 9.861 7.872 -2.693 271 HA MET 34 HA MET 34 7.812 9.740 -3.502 272 HB2 MET 34 HB2 MET 34 6.359 8.582 -1.912 273 HB3 MET 34 HB3 MET 34 7.194 7.426 -2.937 274 HG2 MET 34 HG2 MET 34 8.733 6.903 -1.161 275 HG3 MET 34 HG3 MET 34 8.022 8.142 -0.135 276 HE1 MET 34 HE1 MET 34 7.633 4.587 -1.711 277 HE2 MET 34 HE2 MET 34 6.281 5.429 -2.467 278 HE3 MET 34 HE3 MET 34 5.976 4.161 -1.281 279 H ASP 35 H ASP 35 6.528 10.847 -1.695 280 HA ASP 35 HA ASP 35 8.324 12.710 -0.435 281 HB2 ASP 35 HB2 ASP 35 5.309 12.532 -0.433 282 HB3 ASP 35 HB3 ASP 35 6.225 13.836 0.314 283 H GLU 36 H GLU 36 7.757 13.498 1.812 284 HA GLU 36 HA GLU 36 8.307 11.484 3.679 285 HB2 GLU 36 HB2 GLU 36 8.225 13.195 5.356 286 HB3 GLU 36 HB3 GLU 36 9.014 13.828 3.930 287 HG2 GLU 36 HG2 GLU 36 6.164 14.423 4.724 288 HG3 GLU 36 HG3 GLU 36 7.549 15.443 5.087 289 H ASP 37 H ASP 37 5.286 13.053 2.819 290 HA ASP 37 HA ASP 37 3.762 11.942 4.964 291 HB2 ASP 37 HB2 ASP 37 3.098 14.017 3.790 292 HB3 ASP 37 HB3 ASP 37 2.804 13.082 2.327 293 H MET 38 H MET 38 4.444 10.997 1.654 294 HA MET 38 HA MET 38 2.609 8.811 1.610 295 HB2 MET 38 HB2 MET 38 3.384 9.995 -0.435 296 HB3 MET 38 HB3 MET 38 4.991 9.325 -0.189 297 HG2 MET 38 HG2 MET 38 4.215 7.114 -0.583 298 HG3 MET 38 HG3 MET 38 2.536 7.627 -0.537 299 HE1 MET 38 HE1 MET 38 1.214 8.486 -2.513 300 HE2 MET 38 HE2 MET 38 1.929 9.285 -3.913 301 HE3 MET 38 HE3 MET 38 2.108 9.991 -2.306 302 H ARG 39 H ARG 39 6.007 9.167 2.532 303 HA ARG 39 HA ARG 39 6.591 6.396 2.812 304 HB2 ARG 39 HB2 ARG 39 7.801 8.838 4.069 305 HB3 ARG 39 HB3 ARG 39 8.348 7.215 4.463 306 HG2 ARG 39 HG2 ARG 39 8.832 6.864 2.061 307 HG3 ARG 39 HG3 ARG 39 8.420 8.558 1.784 308 HD2 ARG 39 HD2 ARG 39 10.589 7.571 3.630 309 HD3 ARG 39 HD3 ARG 39 10.844 8.180 1.999 310 HE ARG 39 HE ARG 39 9.953 9.772 4.309 311 HH11 ARG 39 HH11 ARG 39 11.197 9.605 1.040 312 HH12 ARG 39 HH12 ARG 39 11.734 11.255 1.025 313 HH21 ARG 39 HH21 ARG 39 10.690 11.933 4.294 314 HH22 ARG 39 HH22 ARG 39 11.443 12.576 2.866 315 H GLU 40 H GLU 40 5.412 8.840 5.093 316 HA GLU 40 HA GLU 40 5.224 7.234 7.369 317 HB2 GLU 40 HB2 GLU 40 3.618 9.618 6.461 318 HB3 GLU 40 HB3 GLU 40 3.405 8.873 8.038 319 HG2 GLU 40 HG2 GLU 40 5.932 10.110 6.986 320 HG3 GLU 40 HG3 GLU 40 4.830 10.829 8.161 321 H LEU 41 H LEU 41 2.880 7.920 4.841 322 HA LEU 41 HA LEU 41 0.696 6.497 5.846 323 HB2 LEU 41 HB2 LEU 41 0.860 8.226 3.975 324 HB3 LEU 41 HB3 LEU 41 1.348 6.904 2.936 325 HG LEU 41 HG LEU 41 -0.816 5.790 3.404 326 HD11 LEU 41 HD11 LEU 41 -1.467 8.386 4.797 327 HD12 LEU 41 HD12 LEU 41 -1.271 6.816 5.576 328 HD13 LEU 41 HD13 LEU 41 -2.601 7.080 4.449 329 HD21 LEU 41 HD21 LEU 41 -0.485 7.153 1.415 330 HD22 LEU 41 HD22 LEU 41 -0.967 8.593 2.310 331 HD23 LEU 41 HD23 LEU 41 -2.136 7.307 2.016 332 H ALA 42 H ALA 42 3.313 5.539 3.709 333 HA ALA 42 HA ALA 42 2.424 3.102 2.763 334 HB1 ALA 42 HB1 ALA 42 4.369 4.319 1.913 335 HB2 ALA 42 HB2 ALA 42 4.735 2.628 2.252 336 HB3 ALA 42 HB3 ALA 42 5.264 3.885 3.370 337 H LYS 43 H LYS 43 4.231 3.763 5.728 338 HA LYS 43 HA LYS 43 4.807 1.087 6.412 339 HB2 LYS 43 HB2 LYS 43 4.608 3.565 8.132 340 HB3 LYS 43 HB3 LYS 43 5.258 2.024 8.678 341 HG2 LYS 43 HG2 LYS 43 7.030 2.154 7.025 342 HG3 LYS 43 HG3 LYS 43 6.353 3.653 6.393 343 HD2 LYS 43 HD2 LYS 43 7.306 3.311 9.232 344 HD3 LYS 43 HD3 LYS 43 8.318 3.931 7.927 345 HE2 LYS 43 HE2 LYS 43 6.730 5.773 7.582 346 HE3 LYS 43 HE3 LYS 43 5.726 5.145 8.887 347 HZ1 LYS 43 HZ1 LYS 43 8.543 6.006 9.232 348 HZ2 LYS 43 HZ2 LYS 43 7.441 5.597 10.458 349 HZ3 LYS 43 HZ3 LYS 43 7.208 7.003 9.533 350 H ARG 44 H ARG 44 2.038 3.137 7.148 351 HA ARG 44 HA ARG 44 0.921 1.273 9.040 352 HB2 ARG 44 HB2 ARG 44 -0.081 3.860 7.873 353 HB3 ARG 44 HB3 ARG 44 -1.122 2.833 8.846 354 HG2 ARG 44 HG2 ARG 44 -0.316 4.365 10.380 355 HG3 ARG 44 HG3 ARG 44 0.744 2.978 10.621 356 HD2 ARG 44 HD2 ARG 44 2.366 4.097 9.055 357 HD3 ARG 44 HD3 ARG 44 1.337 5.524 9.128 358 HE ARG 44 HE ARG 44 2.274 4.482 11.674 359 HH11 ARG 44 HH11 ARG 44 2.670 6.878 9.146 360 HH12 ARG 44 HH12 ARG 44 3.753 7.866 10.081 361 HH21 ARG 44 HH21 ARG 44 3.707 5.790 12.880 362 HH22 ARG 44 HH22 ARG 44 4.333 7.250 12.184 363 H THR 45 H THR 45 0.433 2.047 5.642 364 HA THR 45 HA THR 45 -1.977 0.564 5.316 365 HB THR 45 HB THR 45 0.009 1.283 3.150 366 HG1 THR 45 HG1 THR 45 -1.819 2.842 4.622 367 HG21 THR 45 HG21 THR 45 -2.993 0.931 3.094 368 HG22 THR 45 HG22 THR 45 -1.813 -0.223 2.471 369 HG23 THR 45 HG23 THR 45 -1.969 1.365 1.720 370 H LEU 46 H LEU 46 1.470 -0.197 4.808 371 HA LEU 46 HA LEU 46 1.096 -2.717 3.581 372 HB2 LEU 46 HB2 LEU 46 3.459 -1.735 5.169 373 HB3 LEU 46 HB3 LEU 46 3.439 -3.186 4.192 374 HG LEU 46 HG LEU 46 3.257 -0.340 3.223 375 HD11 LEU 46 HD11 LEU 46 5.350 -0.910 2.091 376 HD12 LEU 46 HD12 LEU 46 5.310 -2.507 2.840 377 HD13 LEU 46 HD13 LEU 46 5.478 -1.065 3.842 378 HD21 LEU 46 HD21 LEU 46 3.197 -1.243 0.956 379 HD22 LEU 46 HD22 LEU 46 1.777 -1.748 1.877 380 HD23 LEU 46 HD23 LEU 46 3.100 -2.881 1.603 381 H ALA 47 H ALA 47 1.145 -1.745 6.933 382 HA ALA 47 HA ALA 47 1.462 -4.322 8.088 383 HB1 ALA 47 HB1 ALA 47 0.704 -3.259 10.143 384 HB2 ALA 47 HB2 ALA 47 0.166 -1.852 9.227 385 HB3 ALA 47 HB3 ALA 47 1.882 -2.245 9.307 386 H LYS 48 H LYS 48 -1.244 -2.736 6.625 387 HA LYS 48 HA LYS 48 -3.240 -4.383 7.945 388 HB2 LYS 48 HB2 LYS 48 -3.528 -2.341 5.734 389 HB3 LYS 48 HB3 LYS 48 -4.855 -3.127 6.579 390 HG2 LYS 48 HG2 LYS 48 -2.796 -1.366 7.890 391 HG3 LYS 48 HG3 LYS 48 -4.392 -0.830 7.362 392 HD2 LYS 48 HD2 LYS 48 -5.467 -2.307 8.911 393 HD3 LYS 48 HD3 LYS 48 -3.927 -3.057 9.335 394 HE2 LYS 48 HE2 LYS 48 -3.147 -0.987 10.309 395 HE3 LYS 48 HE3 LYS 48 -4.623 -0.162 9.802 396 HZ1 LYS 48 HZ1 LYS 48 -4.650 -0.824 12.145 397 HZ2 LYS 48 HZ2 LYS 48 -4.523 -2.450 11.687 398 HZ3 LYS 48 HZ3 LYS 48 -5.896 -1.552 11.259 399 H ILE 49 H ILE 49 -1.445 -4.320 4.955 400 HA ILE 49 HA ILE 49 -3.238 -6.285 3.716 401 HB ILE 49 HB ILE 49 -0.840 -5.038 2.363 402 HG12 ILE 49 HG12 ILE 49 -3.656 -3.937 2.283 403 HG13 ILE 49 HG13 ILE 49 -2.392 -3.274 3.315 404 HG21 ILE 49 HG21 ILE 49 -2.149 -5.476 0.331 405 HG22 ILE 49 HG22 ILE 49 -3.444 -6.154 1.319 406 HG23 ILE 49 HG23 ILE 49 -1.872 -6.953 1.257 407 HD11 ILE 49 HD11 ILE 49 -1.057 -2.764 1.342 408 HD12 ILE 49 HD12 ILE 49 -2.636 -1.980 1.287 409 HD13 ILE 49 HD13 ILE 49 -2.331 -3.420 0.314 410 H ALA 50 H ALA 50 -0.295 -6.089 5.422 411 HA ALA 50 HA ALA 50 1.182 -8.240 4.567 412 HB1 ALA 50 HB1 ALA 50 0.811 -7.421 7.431 413 HB2 ALA 50 HB2 ALA 50 1.893 -6.644 6.273 414 HB3 ALA 50 HB3 ALA 50 2.165 -8.321 6.755 415 HA PRO 51 HA PRO 51 -1.386 -11.450 7.105 416 HB2 PRO 51 HB2 PRO 51 -3.923 -10.857 7.839 417 HB3 PRO 51 HB3 PRO 51 -2.531 -10.573 8.890 418 HG2 PRO 51 HG2 PRO 51 -4.000 -8.647 7.131 419 HG3 PRO 51 HG3 PRO 51 -3.455 -8.446 8.808 420 HD2 PRO 51 HD2 PRO 51 -2.080 -7.431 6.733 421 HD3 PRO 51 HD3 PRO 51 -1.278 -8.037 8.193 422 H LEU 52 H LEU 52 -2.560 -9.450 4.577 423 HA LEU 52 HA LEU 52 -4.710 -11.222 3.759 424 HB2 LEU 52 HB2 LEU 52 -3.568 -8.823 2.313 425 HB3 LEU 52 HB3 LEU 52 -5.048 -9.667 1.911 426 HG LEU 52 HG LEU 52 -4.568 -8.017 4.395 427 HD11 LEU 52 HD11 LEU 52 -6.201 -6.503 3.403 428 HD12 LEU 52 HD12 LEU 52 -6.297 -7.533 1.974 429 HD13 LEU 52 HD13 LEU 52 -4.792 -6.698 2.360 430 HD21 LEU 52 HD21 LEU 52 -6.953 -8.348 4.842 431 HD22 LEU 52 HD22 LEU 52 -6.075 -9.878 4.859 432 HD23 LEU 52 HD23 LEU 52 -7.057 -9.442 3.461 433 H THR 53 H THR 53 -4.614 -12.636 2.052 434 HA THR 53 HA THR 53 -1.944 -13.319 1.159 435 HB THR 53 HB THR 53 -3.426 -15.160 1.806 436 HG1 THR 53 HG1 THR 53 -2.273 -16.249 0.427 437 HG21 THR 53 HG21 THR 53 -5.581 -14.297 1.111 438 HG22 THR 53 HG22 THR 53 -5.290 -15.872 0.374 439 HG23 THR 53 HG23 THR 53 -5.102 -14.400 -0.582 440 H GLU 54 H GLU 54 -1.735 -13.961 -1.259 441 HA GLU 54 HA GLU 54 -1.690 -11.532 -2.699 442 HB2 GLU 54 HB2 GLU 54 -0.255 -13.778 -2.814 443 HB3 GLU 54 HB3 GLU 54 -1.394 -14.144 -4.106 444 HG2 GLU 54 HG2 GLU 54 0.585 -13.169 -5.025 445 HG3 GLU 54 HG3 GLU 54 -0.753 -12.027 -5.196 446 H ASN 55 H ASN 55 -3.740 -14.400 -2.912 447 HA ASN 55 HA ASN 55 -5.185 -13.560 -5.237 448 HB2 ASN 55 HB2 ASN 55 -4.847 -15.934 -4.609 449 HB3 ASN 55 HB3 ASN 55 -5.870 -15.693 -3.199 450 HD21 ASN 55 HD21 ASN 55 -5.803 -15.778 -6.697 451 HD22 ASN 55 HD22 ASN 55 -7.492 -16.089 -6.900 452 H GLU 56 H GLU 56 -5.614 -13.161 -1.798 453 HA GLU 56 HA GLU 56 -8.340 -12.330 -1.836 454 HB2 GLU 56 HB2 GLU 56 -7.292 -13.260 0.140 455 HB3 GLU 56 HB3 GLU 56 -6.116 -11.963 0.166 456 HG2 GLU 56 HG2 GLU 56 -7.786 -10.380 0.795 457 HG3 GLU 56 HG3 GLU 56 -9.066 -11.579 0.581 458 H TYR 57 H TYR 57 -5.225 -10.651 -1.985 459 HA TYR 57 HA TYR 57 -6.391 -8.049 -1.961 460 HB2 TYR 57 HB2 TYR 57 -4.025 -8.504 -1.265 461 HB3 TYR 57 HB3 TYR 57 -3.637 -8.782 -2.962 462 HD1 TYR 57 HD1 TYR 57 -5.167 -6.203 -0.738 463 HD2 TYR 57 HD2 TYR 57 -2.933 -6.993 -4.272 464 HE1 TYR 57 HE1 TYR 57 -4.865 -3.790 -1.088 465 HE2 TYR 57 HE2 TYR 57 -2.603 -4.579 -4.607 466 HH TYR 57 HH TYR 57 -3.890 -2.484 -3.965 467 H ALA 58 H ALA 58 -5.824 -10.433 -4.439 468 HA ALA 58 HA ALA 58 -6.027 -8.760 -6.714 469 HB1 ALA 58 HB1 ALA 58 -6.832 -11.643 -6.405 470 HB2 ALA 58 HB2 ALA 58 -5.222 -11.056 -6.820 471 HB3 ALA 58 HB3 ALA 58 -6.570 -10.796 -7.929 472 H GLU 59 H GLU 59 -8.426 -9.989 -4.500 473 HA GLU 59 HA GLU 59 -10.727 -9.401 -6.099 474 HB2 GLU 59 HB2 GLU 59 -10.450 -9.775 -3.111 475 HB3 GLU 59 HB3 GLU 59 -11.975 -9.693 -3.978 476 HG2 GLU 59 HG2 GLU 59 -9.861 -11.800 -4.311 477 HG3 GLU 59 HG3 GLU 59 -11.373 -11.976 -3.422 478 H LEU 60 H LEU 60 -8.646 -7.563 -4.037 479 HA LEU 60 HA LEU 60 -10.601 -5.439 -3.599 480 HB2 LEU 60 HB2 LEU 60 -7.744 -5.547 -2.632 481 HB3 LEU 60 HB3 LEU 60 -9.042 -4.537 -2.023 482 HG LEU 60 HG LEU 60 -8.924 -7.549 -1.744 483 HD11 LEU 60 HD11 LEU 60 -7.199 -6.431 -0.423 484 HD12 LEU 60 HD12 LEU 60 -8.454 -7.127 0.604 485 HD13 LEU 60 HD13 LEU 60 -8.428 -5.390 0.296 486 HD21 LEU 60 HD21 LEU 60 -10.786 -7.260 -0.196 487 HD22 LEU 60 HD22 LEU 60 -11.209 -6.689 -1.811 488 HD23 LEU 60 HD23 LEU 60 -10.815 -5.530 -0.539 489 H ALA 61 H ALA 61 -7.306 -5.818 -4.771 490 HA ALA 61 HA ALA 61 -5.997 -4.858 -6.279 491 HB1 ALA 61 HB1 ALA 61 -7.801 -5.428 -7.842 492 HB2 ALA 61 HB2 ALA 61 -6.905 -3.988 -8.325 493 HB3 ALA 61 HB3 ALA 61 -8.500 -3.826 -7.592 494 H ILE 62 H ILE 62 -8.381 -2.264 -6.475 495 HA ILE 62 HA ILE 62 -6.401 -0.437 -5.279 496 HB ILE 62 HB ILE 62 -8.340 0.129 -7.544 497 HG12 ILE 62 HG12 ILE 62 -6.446 -1.167 -8.342 498 HG13 ILE 62 HG13 ILE 62 -6.315 0.483 -8.928 499 HG21 ILE 62 HG21 ILE 62 -8.090 2.078 -6.135 500 HG22 ILE 62 HG22 ILE 62 -7.311 2.327 -7.698 501 HG23 ILE 62 HG23 ILE 62 -6.333 1.973 -6.273 502 HD11 ILE 62 HD11 ILE 62 -4.640 0.952 -7.202 503 HD12 ILE 62 HD12 ILE 62 -4.152 -0.384 -8.250 504 HD13 ILE 62 HD13 ILE 62 -4.776 -0.712 -6.632 505 H PHE 63 H PHE 63 -9.786 -1.017 -5.990 506 HA PHE 63 HA PHE 63 -11.677 -0.981 -4.828 507 HB2 PHE 63 HB2 PHE 63 -9.916 -1.589 -2.863 508 HB3 PHE 63 HB3 PHE 63 -10.600 -0.093 -2.236 509 HD1 PHE 63 HD1 PHE 63 -11.288 -3.552 -3.166 510 HD2 PHE 63 HD2 PHE 63 -12.930 0.032 -1.561 511 HE1 PHE 63 HE1 PHE 63 -13.250 -4.808 -2.385 512 HE2 PHE 63 HE2 PHE 63 -14.899 -1.221 -0.777 513 HZ PHE 63 HZ PHE 63 -15.060 -3.644 -1.189 514 H ALA 64 H ALA 64 -10.026 1.683 -3.037 515 HA ALA 64 HA ALA 64 -12.089 3.465 -4.130 516 HB1 ALA 64 HB1 ALA 64 -11.411 3.232 -1.205 517 HB2 ALA 64 HB2 ALA 64 -12.871 2.611 -1.975 518 HB3 ALA 64 HB3 ALA 64 -12.574 4.350 -1.918 519 H ALA 65 H ALA 65 -9.999 3.965 -5.372 520 HA ALA 65 HA ALA 65 -8.577 6.116 -3.923 521 HB1 ALA 65 HB1 ALA 65 -7.552 4.479 -6.228 522 HB2 ALA 65 HB2 ALA 65 -7.079 4.299 -4.538 523 HB3 ALA 65 HB3 ALA 65 -6.688 5.783 -5.413 524 H ASP 66 H ASP 66 -10.828 5.473 -6.252 525 HA ASP 66 HA ASP 66 -10.210 7.686 -8.010 526 HB2 ASP 66 HB2 ASP 66 -12.220 7.061 -9.220 527 HB3 ASP 66 HB3 ASP 66 -11.266 5.625 -8.887 528 H GLU 67 H GLU 67 -11.348 7.557 -4.977 529 HA GLU 67 HA GLU 67 -13.368 9.608 -5.199 530 HB2 GLU 67 HB2 GLU 67 -12.215 8.106 -2.861 531 HB3 GLU 67 HB3 GLU 67 -13.368 9.421 -2.671 532 HG2 GLU 67 HG2 GLU 67 -13.873 6.926 -4.276 533 HG3 GLU 67 HG3 GLU 67 -14.394 7.174 -2.608 534 H VAL 68 H VAL 68 -9.965 9.354 -4.331 535 HA VAL 68 HA VAL 68 -9.890 12.142 -3.511 536 HB VAL 68 HB VAL 68 -7.374 11.798 -3.389 537 HG11 VAL 68 HG11 VAL 68 -8.802 11.769 -1.422 538 HG12 VAL 68 HG12 VAL 68 -7.497 10.591 -1.265 539 HG13 VAL 68 HG13 VAL 68 -9.129 10.054 -1.671 540 HG21 VAL 68 HG21 VAL 68 -7.161 9.851 -4.833 541 HG22 VAL 68 HG22 VAL 68 -8.160 8.903 -3.732 542 HG23 VAL 68 HG23 VAL 68 -6.577 9.482 -3.210 543 H LEU 69 H LEU 69 -9.167 10.202 -6.298 544 HA LEU 69 HA LEU 69 -8.665 10.613 -8.444 545 HB2 LEU 69 HB2 LEU 69 -9.482 13.445 -7.788 546 HB3 LEU 69 HB3 LEU 69 -9.134 12.868 -9.405 547 HG LEU 69 HG LEU 69 -11.293 11.656 -7.694 548 HD11 LEU 69 HD11 LEU 69 -12.878 13.024 -8.923 549 HD12 LEU 69 HD12 LEU 69 -11.552 13.850 -9.742 550 HD13 LEU 69 HD13 LEU 69 -11.765 14.032 -8.000 551 HD21 LEU 69 HD21 LEU 69 -12.123 10.853 -9.840 552 HD22 LEU 69 HD22 LEU 69 -10.475 10.297 -9.548 553 HD23 LEU 69 HD23 LEU 69 -10.770 11.632 -10.664 554 H GLU 70 H GLU 70 -7.575 13.807 -7.322 555 HA GLU 70 HA GLU 70 -4.894 13.064 -8.233 556 HB2 GLU 70 HB2 GLU 70 -6.117 14.888 -9.491 557 HB3 GLU 70 HB3 GLU 70 -6.014 15.862 -8.030 558 HG2 GLU 70 HG2 GLU 70 -4.265 16.334 -9.746 559 HG3 GLU 70 HG3 GLU 70 -3.649 15.945 -8.139 560 H HIS 71 H HIS 71 -3.192 13.343 -6.936 561 HA HIS 71 HA HIS 71 -3.607 14.460 -4.253 562 HB2 HIS 71 HB2 HIS 71 -3.935 11.991 -4.231 563 HB3 HIS 71 HB3 HIS 71 -2.300 11.785 -4.839 564 HD1 HIS 71 HD1 HIS 71 -4.144 12.956 -1.748 565 HD2 HIS 71 HD2 HIS 71 -0.330 11.770 -2.892 566 HE1 HIS 71 HE1 HIS 71 -2.846 12.703 0.384 567 HE2 HIS 71 HE2 HIS 71 -0.485 12.253 -0.363 568 H HIS 72 H HIS 72 -1.598 14.057 -7.035 569 HA HIS 72 HA HIS 72 0.631 15.341 -5.609 570 HB2 HIS 72 HB2 HIS 72 0.815 12.757 -5.889 571 HB3 HIS 72 HB3 HIS 72 1.179 13.116 -7.573 572 HD1 HIS 72 HD1 HIS 72 3.585 13.515 -8.074 573 HD2 HIS 72 HD2 HIS 72 2.709 14.114 -4.064 574 HE1 HIS 72 HE1 HIS 72 5.786 13.989 -6.964 575 HE2 HIS 72 HE2 HIS 72 5.250 14.163 -4.513 576 H HIS 73 H HIS 73 -1.478 16.002 -7.762 577 HA HIS 73 HA HIS 73 -1.718 17.525 -9.390 578 HB2 HIS 73 HB2 HIS 73 0.156 18.777 -8.329 579 HB3 HIS 73 HB3 HIS 73 1.277 17.958 -9.405 580 HD1 HIS 73 HD1 HIS 73 -1.505 20.493 -9.433 581 HD2 HIS 73 HD2 HIS 73 1.493 19.086 -11.941 582 HE1 HIS 73 HE1 HIS 73 -1.476 22.061 -11.389 583 HE2 HIS 73 HE2 HIS 73 0.462 21.298 -12.797 584 H HIS 74 H HIS 74 1.171 15.559 -10.162 585 HA HIS 74 HA HIS 74 1.769 14.270 -11.895 586 HB2 HIS 74 HB2 HIS 74 -1.185 14.260 -12.388 587 HB3 HIS 74 HB3 HIS 74 -0.096 13.573 -13.587 588 HD1 HIS 74 HD1 HIS 74 -1.887 12.767 -10.556 589 HD2 HIS 74 HD2 HIS 74 1.531 11.387 -12.467 590 HE1 HIS 74 HE1 HIS 74 -1.455 10.486 -9.602 591 HE2 HIS 74 HE2 HIS 74 0.600 9.649 -10.797 592 H HIS 75 H HIS 75 1.950 14.148 -14.302 593 HA HIS 75 HA HIS 75 1.529 16.729 -15.619 594 HB2 HIS 75 HB2 HIS 75 3.926 16.482 -14.807 595 HB3 HIS 75 HB3 HIS 75 4.081 15.127 -15.918 596 HD1 HIS 75 HD1 HIS 75 4.861 15.686 -18.201 597 HD2 HIS 75 HD2 HIS 75 3.276 18.989 -16.244 598 HE1 HIS 75 HE1 HIS 75 5.287 17.638 -19.720 599 HE2 HIS 75 HE2 HIS 75 4.348 19.635 -18.502 600 H HIS 76 H HIS 76 -0.051 16.130 -16.920 601 HA HIS 76 HA HIS 76 -1.272 15.124 -18.537 602 HB2 HIS 76 HB2 HIS 76 0.713 15.521 -19.937 603 HB3 HIS 76 HB3 HIS 76 1.386 13.984 -19.429 604 HD1 HIS 76 HD1 HIS 76 0.622 11.900 -20.670 605 HD2 HIS 76 HD2 HIS 76 -1.469 15.319 -21.768 606 HE1 HIS 76 HE1 HIS 76 -0.684 11.263 -22.719 607 HE2 HIS 76 HE2 HIS 76 -2.073 13.295 -23.253 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -13.155 -9.617 4.125 2 H2 MET 1 H2 MET 1 -13.850 -8.449 5.143 3 H3 MET 1 H3 MET 1 -12.445 -9.263 5.621 4 HA MET 1 HA MET 1 -11.179 -8.260 3.904 5 HB2 MET 1 HB2 MET 1 -12.189 -6.447 2.519 6 HB3 MET 1 HB3 MET 1 -12.808 -8.050 2.153 7 HG2 MET 1 HG2 MET 1 -14.863 -7.597 3.262 8 HG3 MET 1 HG3 MET 1 -14.229 -6.105 3.953 9 HE1 MET 1 HE1 MET 1 -14.074 -3.695 0.929 10 HE2 MET 1 HE2 MET 1 -12.774 -4.627 1.669 11 HE3 MET 1 HE3 MET 1 -13.988 -3.847 2.684 12 H ILE 2 H ILE 2 -10.010 -6.443 4.395 13 HA ILE 2 HA ILE 2 -10.829 -4.998 6.785 14 HB ILE 2 HB ILE 2 -8.508 -5.912 6.625 15 HG12 ILE 2 HG12 ILE 2 -8.636 -2.890 6.794 16 HG13 ILE 2 HG13 ILE 2 -9.003 -3.999 8.107 17 HG21 ILE 2 HG21 ILE 2 -8.146 -3.870 4.434 18 HG22 ILE 2 HG22 ILE 2 -8.078 -5.624 4.261 19 HG23 ILE 2 HG23 ILE 2 -6.843 -4.779 5.196 20 HD11 ILE 2 HD11 ILE 2 -6.667 -4.765 8.068 21 HD12 ILE 2 HD12 ILE 2 -6.819 -3.039 8.398 22 HD13 ILE 2 HD13 ILE 2 -6.331 -3.590 6.795 23 H ARG 3 H ARG 3 -10.997 -2.708 6.856 24 HA ARG 3 HA ARG 3 -11.563 -1.516 4.245 25 HB2 ARG 3 HB2 ARG 3 -12.611 -0.965 6.989 26 HB3 ARG 3 HB3 ARG 3 -12.536 0.366 5.846 27 HG2 ARG 3 HG2 ARG 3 -14.730 -0.571 5.757 28 HG3 ARG 3 HG3 ARG 3 -13.900 -0.995 4.260 29 HD2 ARG 3 HD2 ARG 3 -13.374 -3.210 5.263 30 HD3 ARG 3 HD3 ARG 3 -14.366 -2.770 6.653 31 HE ARG 3 HE ARG 3 -15.756 -2.541 4.146 32 HH11 ARG 3 HH11 ARG 3 -14.821 -4.773 6.677 33 HH12 ARG 3 HH12 ARG 3 -16.099 -5.892 6.336 34 HH21 ARG 3 HH21 ARG 3 -17.419 -4.016 3.684 35 HH22 ARG 3 HH22 ARG 3 -17.579 -5.464 4.624 36 H LEU 4 H LEU 4 -9.767 -0.810 3.471 37 HA LEU 4 HA LEU 4 -7.745 0.582 4.972 38 HB2 LEU 4 HB2 LEU 4 -8.160 0.356 1.982 39 HB3 LEU 4 HB3 LEU 4 -6.698 0.897 2.780 40 HG LEU 4 HG LEU 4 -7.759 -1.865 3.272 41 HD11 LEU 4 HD11 LEU 4 -5.939 -1.013 1.027 42 HD12 LEU 4 HD12 LEU 4 -7.588 -1.615 0.849 43 HD13 LEU 4 HD13 LEU 4 -6.323 -2.674 1.481 44 HD21 LEU 4 HD21 LEU 4 -5.381 -2.305 3.677 45 HD22 LEU 4 HD22 LEU 4 -6.016 -1.045 4.737 46 HD23 LEU 4 HD23 LEU 4 -5.023 -0.610 3.345 47 H THR 5 H THR 5 -7.294 2.888 4.834 48 HA THR 5 HA THR 5 -9.592 4.502 4.258 49 HB THR 5 HB THR 5 -7.975 5.163 6.042 50 HG1 THR 5 HG1 THR 5 -9.361 6.717 4.901 51 HG21 THR 5 HG21 THR 5 -5.925 6.350 5.442 52 HG22 THR 5 HG22 THR 5 -6.175 5.912 3.750 53 HG23 THR 5 HG23 THR 5 -5.869 4.656 4.949 54 H ILE 6 H ILE 6 -9.609 6.242 2.697 55 HA ILE 6 HA ILE 6 -9.324 5.215 0.106 56 HB ILE 6 HB ILE 6 -9.845 8.087 0.930 57 HG12 ILE 6 HG12 ILE 6 -11.856 5.889 0.415 58 HG13 ILE 6 HG13 ILE 6 -11.292 6.327 2.022 59 HG21 ILE 6 HG21 ILE 6 -11.097 8.242 -1.170 60 HG22 ILE 6 HG22 ILE 6 -10.611 6.596 -1.579 61 HG23 ILE 6 HG23 ILE 6 -9.397 7.870 -1.458 62 HD11 ILE 6 HD11 ILE 6 -13.434 7.328 1.533 63 HD12 ILE 6 HD12 ILE 6 -12.754 8.117 0.109 64 HD13 ILE 6 HD13 ILE 6 -12.192 8.566 1.719 65 H GLU 7 H GLU 7 -7.216 7.234 2.019 66 HA GLU 7 HA GLU 7 -5.511 8.122 -0.091 67 HB2 GLU 7 HB2 GLU 7 -5.012 7.911 2.883 68 HB3 GLU 7 HB3 GLU 7 -3.983 8.766 1.740 69 HG2 GLU 7 HG2 GLU 7 -5.814 10.276 1.214 70 HG3 GLU 7 HG3 GLU 7 -6.853 9.406 2.339 71 H GLU 8 H GLU 8 -5.517 5.295 2.054 72 HA GLU 8 HA GLU 8 -2.908 4.373 1.317 73 HB2 GLU 8 HB2 GLU 8 -5.222 2.964 2.627 74 HB3 GLU 8 HB3 GLU 8 -3.662 2.204 2.322 75 HG2 GLU 8 HG2 GLU 8 -2.573 3.838 3.723 76 HG3 GLU 8 HG3 GLU 8 -4.114 4.651 3.994 77 H THR 9 H THR 9 -6.182 3.795 0.200 78 HA THR 9 HA THR 9 -5.487 1.695 -1.603 79 HB THR 9 HB THR 9 -7.965 3.429 -1.780 80 HG1 THR 9 HG1 THR 9 -7.144 1.889 0.289 81 HG21 THR 9 HG21 THR 9 -8.959 1.352 -2.613 82 HG22 THR 9 HG22 THR 9 -7.419 0.516 -2.403 83 HG23 THR 9 HG23 THR 9 -7.566 1.812 -3.592 84 H ASN 10 H ASN 10 -5.689 5.192 -1.805 85 HA ASN 10 HA ASN 10 -5.222 5.513 -4.573 86 HB2 ASN 10 HB2 ASN 10 -5.926 7.337 -3.050 87 HB3 ASN 10 HB3 ASN 10 -4.348 7.286 -2.281 88 HD21 ASN 10 HD21 ASN 10 -3.801 9.358 -2.768 89 HD22 ASN 10 HD22 ASN 10 -3.478 9.909 -4.373 90 H LEU 11 H LEU 11 -3.043 5.095 -1.820 91 HA LEU 11 HA LEU 11 -0.604 5.440 -3.228 92 HB2 LEU 11 HB2 LEU 11 -0.781 5.635 -0.803 93 HB3 LEU 11 HB3 LEU 11 -1.228 3.946 -0.678 94 HG LEU 11 HG LEU 11 1.029 3.324 -1.509 95 HD11 LEU 11 HD11 LEU 11 1.587 6.270 -1.244 96 HD12 LEU 11 HD12 LEU 11 1.536 5.358 -2.752 97 HD13 LEU 11 HD13 LEU 11 2.785 5.013 -1.554 98 HD21 LEU 11 HD21 LEU 11 0.959 5.104 0.913 99 HD22 LEU 11 HD22 LEU 11 2.196 3.901 0.554 100 HD23 LEU 11 HD23 LEU 11 0.537 3.393 0.865 101 H LEU 12 H LEU 12 -2.647 2.658 -2.572 102 HA LEU 12 HA LEU 12 -0.991 0.655 -3.691 103 HB2 LEU 12 HB2 LEU 12 -3.987 0.783 -3.367 104 HB3 LEU 12 HB3 LEU 12 -3.100 -0.658 -3.828 105 HG LEU 12 HG LEU 12 -2.659 0.790 -1.217 106 HD11 LEU 12 HD11 LEU 12 -4.960 0.014 -1.327 107 HD12 LEU 12 HD12 LEU 12 -4.020 -0.953 -0.189 108 HD13 LEU 12 HD13 LEU 12 -4.407 -1.597 -1.785 109 HD21 LEU 12 HD21 LEU 12 -1.915 -1.985 -2.136 110 HD22 LEU 12 HD22 LEU 12 -1.616 -1.308 -0.534 111 HD23 LEU 12 HD23 LEU 12 -0.808 -0.626 -1.946 112 H SER 13 H SER 13 -3.359 2.864 -5.049 113 HA SER 13 HA SER 13 -3.400 1.786 -7.675 114 HB2 SER 13 HB2 SER 13 -5.183 3.242 -6.727 115 HB3 SER 13 HB3 SER 13 -4.063 4.602 -6.775 116 HG SER 13 HG SER 13 -3.917 3.806 -9.147 117 H ILE 14 H ILE 14 -1.392 4.277 -6.114 118 HA ILE 14 HA ILE 14 -0.217 5.297 -8.487 119 HB ILE 14 HB ILE 14 0.762 5.432 -5.631 120 HG12 ILE 14 HG12 ILE 14 -0.587 7.562 -7.297 121 HG13 ILE 14 HG13 ILE 14 -1.465 6.487 -6.214 122 HG21 ILE 14 HG21 ILE 14 1.686 7.023 -8.034 123 HG22 ILE 14 HG22 ILE 14 2.630 5.806 -7.173 124 HG23 ILE 14 HG23 ILE 14 2.176 7.307 -6.364 125 HD11 ILE 14 HD11 ILE 14 -1.051 8.650 -5.198 126 HD12 ILE 14 HD12 ILE 14 0.687 8.428 -5.408 127 HD13 ILE 14 HD13 ILE 14 -0.214 7.368 -4.323 128 H TYR 15 H TYR 15 0.817 2.867 -6.122 129 HA TYR 15 HA TYR 15 3.155 2.258 -7.782 130 HB2 TYR 15 HB2 TYR 15 2.523 1.749 -4.882 131 HB3 TYR 15 HB3 TYR 15 3.855 0.932 -5.696 132 HD1 TYR 15 HD2 TYR 15 5.781 2.206 -6.506 133 HD2 TYR 15 HD1 TYR 15 2.671 4.102 -4.313 134 HE1 TYR 15 HE2 TYR 15 7.236 4.149 -6.137 135 HE2 TYR 15 HE1 TYR 15 4.122 6.053 -3.943 136 HH TYR 15 HH TYR 15 7.049 6.512 -5.642 137 H ASN 16 H ASN 16 0.420 1.406 -8.421 138 HA ASN 16 HA ASN 16 0.154 -1.380 -7.854 139 HB2 ASN 16 HB2 ASN 16 -1.750 0.216 -8.392 140 HB3 ASN 16 HB3 ASN 16 -1.220 0.154 -10.068 141 HD21 ASN 16 HD21 ASN 16 -2.506 -1.725 -7.404 142 HD22 ASN 16 HD22 ASN 16 -3.178 -2.988 -8.381 143 H GLU 17 H GLU 17 1.760 -2.623 -8.535 144 HA GLU 17 HA GLU 17 2.677 -2.332 -11.300 145 HB2 GLU 17 HB2 GLU 17 4.333 -1.835 -9.531 146 HB3 GLU 17 HB3 GLU 17 4.124 -3.461 -8.899 147 HG2 GLU 17 HG2 GLU 17 4.904 -4.315 -11.115 148 HG3 GLU 17 HG3 GLU 17 5.332 -2.648 -11.524 149 H GLY 18 H GLY 18 2.689 -4.946 -8.850 150 HA2 GLY 18 HA2 GLY 18 1.478 -6.743 -10.805 151 HA3 GLY 18 HA3 GLY 18 3.097 -7.133 -10.243 152 H GLY 19 H GLY 19 -0.027 -6.150 -8.882 153 HA2 GLY 19 HA2 GLY 19 -1.350 -7.262 -7.330 154 HA3 GLY 19 HA3 GLY 19 -0.149 -8.546 -7.266 155 H LYS 20 H LYS 20 -0.451 -8.548 -4.950 156 HA LYS 20 HA LYS 20 0.112 -6.270 -3.353 157 HB2 LYS 20 HB2 LYS 20 -1.246 -8.133 -2.531 158 HB3 LYS 20 HB3 LYS 20 0.145 -9.206 -2.634 159 HG2 LYS 20 HG2 LYS 20 1.277 -7.666 -0.967 160 HG3 LYS 20 HG3 LYS 20 -0.309 -6.927 -0.728 161 HD2 LYS 20 HD2 LYS 20 -1.130 -8.728 0.352 162 HD3 LYS 20 HD3 LYS 20 -0.183 -9.862 -0.614 163 HE2 LYS 20 HE2 LYS 20 1.854 -9.065 0.635 164 HE3 LYS 20 HE3 LYS 20 0.760 -8.186 1.707 165 HZ1 LYS 20 HZ1 LYS 20 1.390 -10.353 2.595 166 HZ2 LYS 20 HZ2 LYS 20 0.707 -11.115 1.246 167 HZ3 LYS 20 HZ3 LYS 20 -0.278 -10.255 2.324 168 H ARG 21 H ARG 21 2.136 -8.901 -4.601 169 HA ARG 21 HA ARG 21 4.394 -8.138 -3.046 170 HB2 ARG 21 HB2 ARG 21 3.937 -10.088 -5.220 171 HB3 ARG 21 HB3 ARG 21 5.592 -9.546 -4.947 172 HG2 ARG 21 HG2 ARG 21 3.765 -10.755 -2.886 173 HG3 ARG 21 HG3 ARG 21 5.112 -11.568 -3.688 174 HD2 ARG 21 HD2 ARG 21 6.705 -10.239 -2.624 175 HD3 ARG 21 HD3 ARG 21 5.522 -9.006 -2.192 176 HE ARG 21 HE ARG 21 4.930 -11.491 -0.953 177 HH11 ARG 21 HH11 ARG 21 7.033 -8.676 -0.708 178 HH12 ARG 21 HH12 ARG 21 7.270 -8.864 1.004 179 HH21 ARG 21 HH21 ARG 21 5.262 -11.712 1.284 180 HH22 ARG 21 HH22 ARG 21 6.313 -10.608 2.122 181 H GLY 22 H GLY 22 3.485 -7.506 -6.438 182 HA2 GLY 22 HA2 GLY 22 5.715 -5.876 -7.028 183 HA3 GLY 22 HA3 GLY 22 4.164 -5.789 -7.830 184 H LEU 23 H LEU 23 2.731 -5.139 -5.331 185 HA LEU 23 HA LEU 23 3.108 -2.338 -5.098 186 HB2 LEU 23 HB2 LEU 23 1.367 -4.376 -3.935 187 HB3 LEU 23 HB3 LEU 23 1.837 -3.166 -2.757 188 HG LEU 23 HG LEU 23 -0.287 -2.596 -3.773 189 HD11 LEU 23 HD11 LEU 23 0.222 -0.322 -4.496 190 HD12 LEU 23 HD12 LEU 23 1.921 -0.763 -4.681 191 HD13 LEU 23 HD13 LEU 23 1.174 -0.783 -3.085 192 HD21 LEU 23 HD21 LEU 23 -0.009 -3.709 -5.917 193 HD22 LEU 23 HD22 LEU 23 1.211 -2.523 -6.386 194 HD23 LEU 23 HD23 LEU 23 -0.460 -2.018 -6.136 195 H MET 24 H MET 24 3.919 -5.012 -2.861 196 HA MET 24 HA MET 24 5.010 -3.376 -0.840 197 HB2 MET 24 HB2 MET 24 5.069 -6.305 -1.406 198 HB3 MET 24 HB3 MET 24 6.134 -5.649 -0.169 199 HG2 MET 24 HG2 MET 24 4.125 -4.629 0.895 200 HG3 MET 24 HG3 MET 24 3.138 -5.516 -0.265 201 HE1 MET 24 HE1 MET 24 2.901 -7.200 3.400 202 HE2 MET 24 HE2 MET 24 2.028 -6.195 2.240 203 HE3 MET 24 HE3 MET 24 3.403 -5.531 3.123 204 H GLU 25 H GLU 25 6.595 -5.212 -3.439 205 HA GLU 25 HA GLU 25 9.229 -4.699 -2.541 206 HB2 GLU 25 HB2 GLU 25 8.225 -5.480 -5.277 207 HB3 GLU 25 HB3 GLU 25 9.897 -5.545 -4.783 208 HG2 GLU 25 HG2 GLU 25 7.604 -7.223 -3.837 209 HG3 GLU 25 HG3 GLU 25 9.053 -7.750 -4.681 210 H ASN 26 H ASN 26 7.115 -3.024 -4.818 211 HA ASN 26 HA ASN 26 9.070 -1.169 -5.761 212 HB2 ASN 26 HB2 ASN 26 6.796 -1.815 -6.821 213 HB3 ASN 26 HB3 ASN 26 6.096 -0.658 -5.697 214 HD21 ASN 26 HD21 ASN 26 6.184 -0.697 -8.616 215 HD22 ASN 26 HD22 ASN 26 6.908 0.795 -9.091 216 H ILE 27 H ILE 27 6.521 -1.011 -3.281 217 HA ILE 27 HA ILE 27 6.948 1.638 -2.465 218 HB ILE 27 HB ILE 27 5.609 -0.726 -1.190 219 HG12 ILE 27 HG12 ILE 27 4.602 1.973 -2.120 220 HG13 ILE 27 HG13 ILE 27 4.516 0.477 -3.042 221 HG21 ILE 27 HG21 ILE 27 6.552 0.460 0.706 222 HG22 ILE 27 HG22 ILE 27 4.801 0.667 0.651 223 HG23 ILE 27 HG23 ILE 27 5.860 1.973 0.120 224 HD11 ILE 27 HD11 ILE 27 3.007 -0.467 -1.372 225 HD12 ILE 27 HD12 ILE 27 2.372 1.037 -2.037 226 HD13 ILE 27 HD13 ILE 27 3.105 1.022 -0.432 227 H ASN 28 H ASN 28 8.397 -1.377 -1.262 228 HA ASN 28 HA ASN 28 9.726 -0.367 0.993 229 HB2 ASN 28 HB2 ASN 28 10.048 -2.765 -0.728 230 HB3 ASN 28 HB3 ASN 28 11.391 -2.342 0.324 231 HD21 ASN 28 HD21 ASN 28 8.022 -1.771 1.157 232 HD22 ASN 28 HD22 ASN 28 7.952 -2.949 2.417 233 H ALA 29 H ALA 29 10.786 -0.601 -2.367 234 HA ALA 29 HA ALA 29 13.445 0.338 -1.770 235 HB1 ALA 29 HB1 ALA 29 12.096 -0.099 -4.428 236 HB2 ALA 29 HB2 ALA 29 13.055 -1.288 -3.544 237 HB3 ALA 29 HB3 ALA 29 13.816 0.176 -4.166 238 H ALA 30 H ALA 30 10.434 1.775 -2.739 239 HA ALA 30 HA ALA 30 11.752 4.219 -3.647 240 HB1 ALA 30 HB1 ALA 30 9.609 4.864 -4.570 241 HB2 ALA 30 HB2 ALA 30 8.835 3.472 -3.811 242 HB3 ALA 30 HB3 ALA 30 10.027 3.230 -5.089 243 H LEU 31 H LEU 31 11.041 3.218 -0.696 244 HA LEU 31 HA LEU 31 9.386 5.132 0.460 245 HB2 LEU 31 HB2 LEU 31 11.641 3.526 1.593 246 HB3 LEU 31 HB3 LEU 31 10.768 4.680 2.577 247 HG LEU 31 HG LEU 31 9.520 2.310 1.178 248 HD11 LEU 31 HD11 LEU 31 10.174 2.745 4.089 249 HD12 LEU 31 HD12 LEU 31 11.006 1.637 3.000 250 HD13 LEU 31 HD13 LEU 31 9.313 1.360 3.414 251 HD21 LEU 31 HD21 LEU 31 7.558 2.848 2.531 252 HD22 LEU 31 HD22 LEU 31 7.978 4.176 1.450 253 HD23 LEU 31 HD23 LEU 31 8.385 4.273 3.163 254 HA PRO 32 HA PRO 32 13.118 8.165 1.189 255 HB2 PRO 32 HB2 PRO 32 15.265 7.947 -0.453 256 HB3 PRO 32 HB3 PRO 32 15.184 7.182 1.138 257 HG2 PRO 32 HG2 PRO 32 14.666 5.990 -1.559 258 HG3 PRO 32 HG3 PRO 32 15.613 5.339 -0.206 259 HD2 PRO 32 HD2 PRO 32 13.107 4.521 -0.681 260 HD3 PRO 32 HD3 PRO 32 13.742 4.690 0.964 261 H PHE 33 H PHE 33 11.892 7.022 -1.803 262 HA PHE 33 HA PHE 33 12.433 9.530 -3.203 263 HB2 PHE 33 HB2 PHE 33 11.170 6.982 -4.238 264 HB3 PHE 33 HB3 PHE 33 11.601 8.384 -5.207 265 HD1 PHE 33 HD2 PHE 33 14.100 9.061 -5.214 266 HD2 PHE 33 HD1 PHE 33 12.673 5.254 -3.959 267 HE1 PHE 33 HE2 PHE 33 16.336 8.102 -5.577 268 HE2 PHE 33 HE1 PHE 33 14.904 4.294 -4.316 269 HZ PHE 33 HZ PHE 33 16.741 5.717 -5.128 270 H MET 34 H MET 34 10.076 8.218 -1.248 271 HA MET 34 HA MET 34 7.756 9.298 -2.587 272 HB2 MET 34 HB2 MET 34 8.146 7.998 0.103 273 HB3 MET 34 HB3 MET 34 6.604 8.661 -0.415 274 HG2 MET 34 HG2 MET 34 6.501 7.112 -2.244 275 HG3 MET 34 HG3 MET 34 8.117 6.514 -1.868 276 HE1 MET 34 HE1 MET 34 7.382 4.034 -1.774 277 HE2 MET 34 HE2 MET 34 5.758 4.524 -2.260 278 HE3 MET 34 HE3 MET 34 5.979 3.448 -0.879 279 H ASP 35 H ASP 35 6.428 10.896 -1.816 280 HA ASP 35 HA ASP 35 7.553 13.170 -0.506 281 HB2 ASP 35 HB2 ASP 35 5.760 13.279 -2.229 282 HB3 ASP 35 HB3 ASP 35 4.670 12.441 -1.133 283 H GLU 36 H GLU 36 6.752 14.055 1.581 284 HA GLU 36 HA GLU 36 6.915 12.491 3.808 285 HB2 GLU 36 HB2 GLU 36 5.416 15.062 3.357 286 HB3 GLU 36 HB3 GLU 36 5.639 14.363 4.953 287 HG2 GLU 36 HG2 GLU 36 7.946 14.985 3.154 288 HG3 GLU 36 HG3 GLU 36 7.230 16.185 4.231 289 H ASP 37 H ASP 37 3.921 13.264 2.052 290 HA ASP 37 HA ASP 37 2.158 12.088 3.938 291 HB2 ASP 37 HB2 ASP 37 1.895 12.895 1.064 292 HB3 ASP 37 HB3 ASP 37 0.623 11.952 1.830 293 H MET 38 H MET 38 3.519 10.881 0.889 294 HA MET 38 HA MET 38 2.115 8.395 1.010 295 HB2 MET 38 HB2 MET 38 4.120 9.611 -0.818 296 HB3 MET 38 HB3 MET 38 3.936 7.862 -0.853 297 HG2 MET 38 HG2 MET 38 2.556 8.815 -2.547 298 HG3 MET 38 HG3 MET 38 1.527 8.157 -1.280 299 HE1 MET 38 HE1 MET 38 -0.603 9.463 -2.129 300 HE2 MET 38 HE2 MET 38 0.409 9.960 -3.484 301 HE3 MET 38 HE3 MET 38 -0.552 11.159 -2.612 302 H ARG 39 H ARG 39 5.219 9.456 2.093 303 HA ARG 39 HA ARG 39 6.540 6.963 2.204 304 HB2 ARG 39 HB2 ARG 39 7.737 9.073 2.132 305 HB3 ARG 39 HB3 ARG 39 7.049 9.550 3.671 306 HG2 ARG 39 HG2 ARG 39 8.313 7.845 4.816 307 HG3 ARG 39 HG3 ARG 39 8.927 7.224 3.277 308 HD2 ARG 39 HD2 ARG 39 10.184 9.176 2.877 309 HD3 ARG 39 HD3 ARG 39 9.343 10.072 4.139 310 HE ARG 39 HE ARG 39 10.468 8.380 5.693 311 HH11 ARG 39 HH11 ARG 39 11.919 9.448 2.696 312 HH12 ARG 39 HH12 ARG 39 13.539 9.385 3.316 313 HH21 ARG 39 HH21 ARG 39 12.579 8.311 6.503 314 HH22 ARG 39 HH22 ARG 39 13.914 8.732 5.478 315 H GLU 40 H GLU 40 5.144 8.931 4.860 316 HA GLU 40 HA GLU 40 5.358 6.843 6.773 317 HB2 GLU 40 HB2 GLU 40 4.036 9.514 6.711 318 HB3 GLU 40 HB3 GLU 40 3.617 8.388 7.996 319 HG2 GLU 40 HG2 GLU 40 6.408 9.284 7.333 320 HG3 GLU 40 HG3 GLU 40 5.405 9.956 8.618 321 H LEU 41 H LEU 41 2.855 7.753 4.541 322 HA LEU 41 HA LEU 41 0.700 6.280 5.601 323 HB2 LEU 41 HB2 LEU 41 0.620 8.007 3.787 324 HB3 LEU 41 HB3 LEU 41 1.318 6.828 2.700 325 HG LEU 41 HG LEU 41 -0.681 5.403 3.015 326 HD11 LEU 41 HD11 LEU 41 -1.752 7.785 4.525 327 HD12 LEU 41 HD12 LEU 41 -1.363 6.210 5.221 328 HD13 LEU 41 HD13 LEU 41 -2.673 6.359 4.047 329 HD21 LEU 41 HD21 LEU 41 -0.486 6.913 1.122 330 HD22 LEU 41 HD22 LEU 41 -1.181 8.223 2.076 331 HD23 LEU 41 HD23 LEU 41 -2.161 6.815 1.668 332 H ALA 42 H ALA 42 3.375 5.421 3.486 333 HA ALA 42 HA ALA 42 2.458 2.979 2.505 334 HB1 ALA 42 HB1 ALA 42 5.311 3.817 2.952 335 HB2 ALA 42 HB2 ALA 42 4.320 4.250 1.558 336 HB3 ALA 42 HB3 ALA 42 4.738 2.563 1.856 337 H LYS 43 H LYS 43 4.255 3.668 5.471 338 HA LYS 43 HA LYS 43 4.881 0.994 6.164 339 HB2 LYS 43 HB2 LYS 43 4.582 3.493 7.823 340 HB3 LYS 43 HB3 LYS 43 4.930 1.943 8.562 341 HG2 LYS 43 HG2 LYS 43 6.990 3.061 8.370 342 HG3 LYS 43 HG3 LYS 43 6.987 1.842 7.096 343 HD2 LYS 43 HD2 LYS 43 6.526 3.468 5.430 344 HD3 LYS 43 HD3 LYS 43 6.188 4.707 6.635 345 HE2 LYS 43 HE2 LYS 43 8.864 3.401 6.209 346 HE3 LYS 43 HE3 LYS 43 8.384 4.960 5.535 347 HZ1 LYS 43 HZ1 LYS 43 8.625 4.264 8.404 348 HZ2 LYS 43 HZ2 LYS 43 8.001 5.729 7.831 349 HZ3 LYS 43 HZ3 LYS 43 9.618 5.317 7.528 350 H ARG 44 H ARG 44 2.081 3.009 6.734 351 HA ARG 44 HA ARG 44 0.780 1.154 8.511 352 HB2 ARG 44 HB2 ARG 44 -0.340 3.601 7.134 353 HB3 ARG 44 HB3 ARG 44 -1.037 2.763 8.514 354 HG2 ARG 44 HG2 ARG 44 0.781 3.417 9.920 355 HG3 ARG 44 HG3 ARG 44 1.665 4.084 8.547 356 HD2 ARG 44 HD2 ARG 44 -0.236 5.694 8.240 357 HD3 ARG 44 HD3 ARG 44 -0.886 5.107 9.772 358 HE ARG 44 HE ARG 44 1.758 5.824 10.232 359 HH11 ARG 44 HH11 ARG 44 -1.245 7.417 9.364 360 HH12 ARG 44 HH12 ARG 44 -0.758 8.952 10.006 361 HH21 ARG 44 HH21 ARG 44 2.393 7.824 11.067 362 HH22 ARG 44 HH22 ARG 44 1.318 9.187 10.983 363 H THR 45 H THR 45 0.658 1.935 5.071 364 HA THR 45 HA THR 45 -1.689 0.458 4.435 365 HB THR 45 HB THR 45 0.632 1.054 2.577 366 HG1 THR 45 HG1 THR 45 -1.077 2.747 3.834 367 HG21 THR 45 HG21 THR 45 -2.319 0.699 2.027 368 HG22 THR 45 HG22 THR 45 -1.062 -0.488 1.678 369 HG23 THR 45 HG23 THR 45 -1.074 1.058 0.829 370 H LEU 46 H LEU 46 1.775 -0.295 4.384 371 HA LEU 46 HA LEU 46 1.526 -2.944 3.415 372 HB2 LEU 46 HB2 LEU 46 3.750 -1.729 5.039 373 HB3 LEU 46 HB3 LEU 46 3.826 -3.263 4.201 374 HG LEU 46 HG LEU 46 3.576 -0.543 2.920 375 HD11 LEU 46 HD11 LEU 46 5.820 -1.033 2.091 376 HD12 LEU 46 HD12 LEU 46 5.828 -2.530 3.025 377 HD13 LEU 46 HD13 LEU 46 5.760 -0.973 3.853 378 HD21 LEU 46 HD21 LEU 46 2.392 -2.237 1.609 379 HD22 LEU 46 HD22 LEU 46 3.834 -3.254 1.622 380 HD23 LEU 46 HD23 LEU 46 3.859 -1.697 0.792 381 H ALA 47 H ALA 47 1.343 -1.547 6.625 382 HA ALA 47 HA ALA 47 1.581 -4.001 8.063 383 HB1 ALA 47 HB1 ALA 47 2.005 -1.828 9.106 384 HB2 ALA 47 HB2 ALA 47 0.763 -2.730 9.974 385 HB3 ALA 47 HB3 ALA 47 0.305 -1.403 8.906 386 H LYS 48 H LYS 48 -1.019 -2.433 6.384 387 HA LYS 48 HA LYS 48 -3.060 -4.038 7.660 388 HB2 LYS 48 HB2 LYS 48 -3.187 -1.973 5.481 389 HB3 LYS 48 HB3 LYS 48 -4.590 -2.864 6.062 390 HG2 LYS 48 HG2 LYS 48 -4.115 -1.984 8.344 391 HG3 LYS 48 HG3 LYS 48 -2.848 -0.981 7.633 392 HD2 LYS 48 HD2 LYS 48 -4.561 0.051 6.164 393 HD3 LYS 48 HD3 LYS 48 -5.796 -0.888 7.004 394 HE2 LYS 48 HE2 LYS 48 -5.719 1.345 7.910 395 HE3 LYS 48 HE3 LYS 48 -5.145 0.198 9.119 396 HZ1 LYS 48 HZ1 LYS 48 -3.762 2.188 9.007 397 HZ2 LYS 48 HZ2 LYS 48 -3.414 1.869 7.374 398 HZ3 LYS 48 HZ3 LYS 48 -2.882 0.802 8.581 399 H ILE 49 H ILE 49 -1.280 -4.026 4.594 400 HA ILE 49 HA ILE 49 -2.969 -6.185 3.615 401 HB ILE 49 HB ILE 49 -1.573 -6.173 1.564 402 HG12 ILE 49 HG12 ILE 49 -0.317 -3.691 2.764 403 HG13 ILE 49 HG13 ILE 49 0.495 -5.239 2.576 404 HG21 ILE 49 HG21 ILE 49 -2.468 -4.054 0.702 405 HG22 ILE 49 HG22 ILE 49 -2.865 -3.575 2.354 406 HG23 ILE 49 HG23 ILE 49 -3.650 -4.979 1.629 407 HD11 ILE 49 HD11 ILE 49 -0.534 -3.504 0.340 408 HD12 ILE 49 HD12 ILE 49 0.293 -5.050 0.148 409 HD13 ILE 49 HD13 ILE 49 1.149 -3.670 0.840 410 H ALA 50 H ALA 50 -0.047 -5.926 5.373 411 HA ALA 50 HA ALA 50 1.354 -8.199 4.594 412 HB1 ALA 50 HB1 ALA 50 2.465 -8.172 6.728 413 HB2 ALA 50 HB2 ALA 50 1.192 -7.164 7.420 414 HB3 ALA 50 HB3 ALA 50 2.241 -6.516 6.159 415 HA PRO 51 HA PRO 51 -1.129 -11.028 7.586 416 HB2 PRO 51 HB2 PRO 51 -3.637 -9.734 8.291 417 HB3 PRO 51 HB3 PRO 51 -2.408 -10.428 9.348 418 HG2 PRO 51 HG2 PRO 51 -2.880 -7.777 9.199 419 HG3 PRO 51 HG3 PRO 51 -1.282 -8.454 9.558 420 HD2 PRO 51 HD2 PRO 51 -2.348 -7.372 6.980 421 HD3 PRO 51 HD3 PRO 51 -0.756 -7.138 7.733 422 H LEU 52 H LEU 52 -2.459 -9.156 5.076 423 HA LEU 52 HA LEU 52 -4.680 -10.911 4.459 424 HB2 LEU 52 HB2 LEU 52 -3.425 -8.731 2.772 425 HB3 LEU 52 HB3 LEU 52 -4.945 -9.537 2.449 426 HG LEU 52 HG LEU 52 -4.372 -7.667 4.745 427 HD11 LEU 52 HD11 LEU 52 -4.558 -6.545 2.606 428 HD12 LEU 52 HD12 LEU 52 -5.977 -6.214 3.600 429 HD13 LEU 52 HD13 LEU 52 -6.078 -7.378 2.278 430 HD21 LEU 52 HD21 LEU 52 -6.746 -7.848 5.256 431 HD22 LEU 52 HD22 LEU 52 -5.948 -9.413 5.405 432 HD23 LEU 52 HD23 LEU 52 -6.936 -9.058 3.984 433 H THR 53 H THR 53 -4.711 -12.410 2.761 434 HA THR 53 HA THR 53 -2.199 -13.319 1.706 435 HB THR 53 HB THR 53 -3.899 -14.989 2.161 436 HG1 THR 53 HG1 THR 53 -3.341 -16.118 0.469 437 HG21 THR 53 HG21 THR 53 -5.633 -13.597 0.117 438 HG22 THR 53 HG22 THR 53 -5.933 -13.699 1.853 439 HG23 THR 53 HG23 THR 53 -5.986 -15.157 0.859 440 H GLU 54 H GLU 54 -2.004 -13.616 -0.755 441 HA GLU 54 HA GLU 54 -1.942 -11.056 -1.977 442 HB2 GLU 54 HB2 GLU 54 -1.738 -13.659 -3.489 443 HB3 GLU 54 HB3 GLU 54 -0.945 -12.136 -3.833 444 HG2 GLU 54 HG2 GLU 54 -0.288 -14.027 -1.593 445 HG3 GLU 54 HG3 GLU 54 0.640 -13.767 -3.067 446 H ASN 55 H ASN 55 -4.150 -13.756 -2.095 447 HA ASN 55 HA ASN 55 -5.680 -12.926 -4.365 448 HB2 ASN 55 HB2 ASN 55 -6.589 -14.757 -2.144 449 HB3 ASN 55 HB3 ASN 55 -7.198 -14.696 -3.793 450 HD21 ASN 55 HD21 ASN 55 -5.923 -15.580 -5.468 451 HD22 ASN 55 HD22 ASN 55 -4.657 -16.710 -5.115 452 H GLU 56 H GLU 56 -5.801 -12.290 -0.921 453 HA GLU 56 HA GLU 56 -8.422 -11.218 -0.746 454 HB2 GLU 56 HB2 GLU 56 -6.763 -11.934 1.129 455 HB3 GLU 56 HB3 GLU 56 -6.108 -10.315 0.955 456 HG2 GLU 56 HG2 GLU 56 -7.596 -10.183 2.734 457 HG3 GLU 56 HG3 GLU 56 -8.469 -9.486 1.369 458 H TYR 57 H TYR 57 -5.215 -9.740 -1.193 459 HA TYR 57 HA TYR 57 -6.140 -7.090 -1.460 460 HB2 TYR 57 HB2 TYR 57 -3.816 -7.435 -0.887 461 HB3 TYR 57 HB3 TYR 57 -3.535 -8.363 -2.359 462 HD1 TYR 57 HD1 TYR 57 -4.537 -4.960 -1.200 463 HD2 TYR 57 HD2 TYR 57 -2.754 -7.283 -4.287 464 HE1 TYR 57 HE1 TYR 57 -4.035 -2.914 -2.454 465 HE2 TYR 57 HE2 TYR 57 -2.238 -5.235 -5.542 466 HH TYR 57 HH TYR 57 -2.554 -2.119 -4.186 467 H ALA 58 H ALA 58 -5.864 -9.728 -3.776 468 HA ALA 58 HA ALA 58 -5.835 -8.273 -6.172 469 HB1 ALA 58 HB1 ALA 58 -7.074 -10.965 -5.677 470 HB2 ALA 58 HB2 ALA 58 -5.368 -10.665 -6.011 471 HB3 ALA 58 HB3 ALA 58 -6.586 -10.306 -7.238 472 H GLU 59 H GLU 59 -8.530 -9.191 -4.104 473 HA GLU 59 HA GLU 59 -10.543 -8.170 -5.897 474 HB2 GLU 59 HB2 GLU 59 -10.761 -8.866 -2.962 475 HB3 GLU 59 HB3 GLU 59 -12.096 -8.625 -4.077 476 HG2 GLU 59 HG2 GLU 59 -10.054 -10.831 -4.232 477 HG3 GLU 59 HG3 GLU 59 -11.696 -10.985 -3.611 478 H LEU 60 H LEU 60 -8.558 -6.873 -3.339 479 HA LEU 60 HA LEU 60 -10.314 -4.531 -2.950 480 HB2 LEU 60 HB2 LEU 60 -7.955 -5.415 -1.289 481 HB3 LEU 60 HB3 LEU 60 -9.121 -4.175 -0.882 482 HG LEU 60 HG LEU 60 -9.765 -7.112 -1.125 483 HD11 LEU 60 HD11 LEU 60 -8.237 -6.633 0.709 484 HD12 LEU 60 HD12 LEU 60 -9.834 -7.096 1.297 485 HD13 LEU 60 HD13 LEU 60 -9.344 -5.401 1.312 486 HD21 LEU 60 HD21 LEU 60 -11.849 -6.490 -0.023 487 HD22 LEU 60 HD22 LEU 60 -11.672 -5.659 -1.570 488 HD23 LEU 60 HD23 LEU 60 -11.372 -4.794 -0.060 489 H ALA 61 H ALA 61 -8.223 -5.031 -5.118 490 HA ALA 61 HA ALA 61 -5.791 -3.819 -4.708 491 HB1 ALA 61 HB1 ALA 61 -6.354 -5.250 -6.614 492 HB2 ALA 61 HB2 ALA 61 -5.546 -3.761 -7.116 493 HB3 ALA 61 HB3 ALA 61 -7.291 -3.934 -7.315 494 H ILE 62 H ILE 62 -8.180 -2.221 -6.834 495 HA ILE 62 HA ILE 62 -7.647 0.245 -5.334 496 HB ILE 62 HB ILE 62 -8.259 0.113 -8.313 497 HG12 ILE 62 HG12 ILE 62 -6.003 1.522 -8.236 498 HG13 ILE 62 HG13 ILE 62 -5.754 0.599 -6.761 499 HG21 ILE 62 HG21 ILE 62 -9.339 2.033 -7.278 500 HG22 ILE 62 HG22 ILE 62 -7.993 2.553 -8.291 501 HG23 ILE 62 HG23 ILE 62 -7.810 2.514 -6.538 502 HD11 ILE 62 HD11 ILE 62 -4.643 -0.431 -8.640 503 HD12 ILE 62 HD12 ILE 62 -6.175 -0.538 -9.510 504 HD13 ILE 62 HD13 ILE 62 -5.934 -1.470 -8.031 505 H PHE 63 H PHE 63 -9.237 -0.110 -3.965 506 HA PHE 63 HA PHE 63 -11.943 -0.668 -4.855 507 HB2 PHE 63 HB2 PHE 63 -10.484 -1.402 -2.635 508 HB3 PHE 63 HB3 PHE 63 -11.490 -0.104 -2.006 509 HD1 PHE 63 HD1 PHE 63 -11.692 -3.238 -3.978 510 HD2 PHE 63 HD2 PHE 63 -13.642 -0.575 -1.295 511 HE1 PHE 63 HE1 PHE 63 -13.544 -4.834 -3.754 512 HE2 PHE 63 HE2 PHE 63 -15.504 -2.167 -1.067 513 HZ PHE 63 HZ PHE 63 -15.455 -4.301 -2.296 514 H ALA 64 H ALA 64 -10.501 1.703 -2.600 515 HA ALA 64 HA ALA 64 -12.434 3.692 -3.588 516 HB1 ALA 64 HB1 ALA 64 -11.380 3.391 -0.778 517 HB2 ALA 64 HB2 ALA 64 -12.994 2.934 -1.328 518 HB3 ALA 64 HB3 ALA 64 -12.504 4.629 -1.339 519 H ALA 65 H ALA 65 -11.041 4.683 -5.031 520 HA ALA 65 HA ALA 65 -8.935 6.295 -3.742 521 HB1 ALA 65 HB1 ALA 65 -7.887 4.521 -5.076 522 HB2 ALA 65 HB2 ALA 65 -7.563 6.120 -5.747 523 HB3 ALA 65 HB3 ALA 65 -8.768 5.074 -6.498 524 H ASP 66 H ASP 66 -11.862 6.417 -4.969 525 HA ASP 66 HA ASP 66 -11.733 8.414 -7.013 526 HB2 ASP 66 HB2 ASP 66 -14.093 7.631 -5.291 527 HB3 ASP 66 HB3 ASP 66 -14.158 8.485 -6.822 528 H GLU 67 H GLU 67 -12.109 8.421 -3.551 529 HA GLU 67 HA GLU 67 -13.087 11.160 -3.495 530 HB2 GLU 67 HB2 GLU 67 -12.812 9.064 -1.344 531 HB3 GLU 67 HB3 GLU 67 -13.479 10.674 -1.086 532 HG2 GLU 67 HG2 GLU 67 -15.287 10.217 -2.602 533 HG3 GLU 67 HG3 GLU 67 -14.582 8.659 -3.033 534 H VAL 68 H VAL 68 -10.127 9.992 -3.763 535 HA VAL 68 HA VAL 68 -9.002 12.216 -2.195 536 HB VAL 68 HB VAL 68 -6.762 11.009 -2.491 537 HG11 VAL 68 HG11 VAL 68 -7.885 11.226 -0.346 538 HG12 VAL 68 HG12 VAL 68 -7.116 9.645 -0.495 539 HG13 VAL 68 HG13 VAL 68 -8.861 9.798 -0.700 540 HG21 VAL 68 HG21 VAL 68 -7.460 9.363 -4.131 541 HG22 VAL 68 HG22 VAL 68 -8.626 8.693 -2.991 542 HG23 VAL 68 HG23 VAL 68 -6.897 8.563 -2.662 543 H LEU 69 H LEU 69 -9.947 11.403 -5.203 544 HA LEU 69 HA LEU 69 -7.784 12.547 -6.713 545 HB2 LEU 69 HB2 LEU 69 -10.650 12.008 -7.501 546 HB3 LEU 69 HB3 LEU 69 -9.389 12.528 -8.601 547 HG LEU 69 HG LEU 69 -9.431 9.907 -7.096 548 HD11 LEU 69 HD11 LEU 69 -9.810 8.900 -9.283 549 HD12 LEU 69 HD12 LEU 69 -9.896 10.503 -10.012 550 HD13 LEU 69 HD13 LEU 69 -11.120 9.998 -8.846 551 HD21 LEU 69 HD21 LEU 69 -7.518 10.920 -9.199 552 HD22 LEU 69 HD22 LEU 69 -7.524 9.300 -8.500 553 HD23 LEU 69 HD23 LEU 69 -7.154 10.695 -7.488 554 H GLU 70 H GLU 70 -7.937 14.513 -7.907 555 HA GLU 70 HA GLU 70 -8.100 16.752 -8.114 556 HB2 GLU 70 HB2 GLU 70 -10.617 16.255 -8.142 557 HB3 GLU 70 HB3 GLU 70 -10.625 16.731 -6.455 558 HG2 GLU 70 HG2 GLU 70 -9.589 18.926 -7.282 559 HG3 GLU 70 HG3 GLU 70 -10.145 18.420 -8.880 560 H HIS 71 H HIS 71 -7.207 15.242 -5.446 561 HA HIS 71 HA HIS 71 -7.042 17.527 -3.666 562 HB2 HIS 71 HB2 HIS 71 -7.305 15.081 -2.893 563 HB3 HIS 71 HB3 HIS 71 -5.603 14.896 -3.291 564 HD1 HIS 71 HD1 HIS 71 -7.893 16.315 -0.741 565 HD2 HIS 71 HD2 HIS 71 -3.817 16.289 -1.547 566 HE1 HIS 71 HE1 HIS 71 -6.788 17.130 1.352 567 HE2 HIS 71 HE2 HIS 71 -4.320 17.122 0.839 568 H HIS 72 H HIS 72 -6.047 18.773 -5.289 569 HA HIS 72 HA HIS 72 -3.142 18.727 -5.187 570 HB2 HIS 72 HB2 HIS 72 -3.967 17.509 -7.301 571 HB3 HIS 72 HB3 HIS 72 -4.590 19.067 -7.825 572 HD1 HIS 72 HD1 HIS 72 -1.352 17.265 -7.155 573 HD2 HIS 72 HD2 HIS 72 -2.718 20.771 -8.913 574 HE1 HIS 72 HE1 HIS 72 0.623 18.237 -8.360 575 HE2 HIS 72 HE2 HIS 72 -0.267 20.276 -9.537 576 H HIS 73 H HIS 73 -6.217 20.273 -5.880 577 HA HIS 73 HA HIS 73 -5.137 22.913 -6.041 578 HB2 HIS 73 HB2 HIS 73 -7.350 23.697 -6.274 579 HB3 HIS 73 HB3 HIS 73 -7.363 22.136 -7.065 580 HD1 HIS 73 HD1 HIS 73 -8.855 20.277 -5.963 581 HD2 HIS 73 HD2 HIS 73 -8.985 23.953 -4.029 582 HE1 HIS 73 HE1 HIS 73 -10.767 20.129 -4.346 583 HE2 HIS 73 HE2 HIS 73 -10.920 22.413 -3.298 584 H HIS 74 H HIS 74 -4.855 24.377 -4.488 585 HA HIS 74 HA HIS 74 -4.277 25.173 -2.469 586 HB2 HIS 74 HB2 HIS 74 -6.987 24.025 -1.862 587 HB3 HIS 74 HB3 HIS 74 -6.031 24.783 -0.593 588 HD1 HIS 74 HD1 HIS 74 -6.050 27.295 -0.481 589 HD2 HIS 74 HD2 HIS 74 -7.715 25.829 -3.996 590 HE1 HIS 74 HE1 HIS 74 -7.067 29.286 -1.630 591 HE2 HIS 74 HE2 HIS 74 -8.176 28.353 -3.688 592 H HIS 75 H HIS 75 -2.525 23.572 -2.664 593 HA HIS 75 HA HIS 75 -2.613 21.379 -0.763 594 HB2 HIS 75 HB2 HIS 75 -1.489 21.113 -2.973 595 HB3 HIS 75 HB3 HIS 75 -0.327 22.348 -2.512 596 HD1 HIS 75 HD1 HIS 75 1.819 21.304 -1.930 597 HD2 HIS 75 HD2 HIS 75 -1.381 18.964 -0.701 598 HE1 HIS 75 HE1 HIS 75 2.836 19.322 -0.785 599 HE2 HIS 75 HE2 HIS 75 0.878 18.042 0.140 600 H HIS 76 H HIS 76 -2.550 21.991 1.275 601 HA HIS 76 HA HIS 76 -0.941 24.257 2.147 602 HB2 HIS 76 HB2 HIS 76 -3.348 23.766 2.903 603 HB3 HIS 76 HB3 HIS 76 -2.660 22.480 3.883 604 HD1 HIS 76 HD1 HIS 76 -1.601 23.137 6.086 605 HD2 HIS 76 HD2 HIS 76 -2.624 26.412 3.747 606 HE1 HIS 76 HE1 HIS 76 -1.313 25.138 7.567 607 HE2 HIS 76 HE2 HIS 76 -2.160 27.069 6.202 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -10.389 -9.914 3.929 2 H2 MET 1 H2 MET 1 -11.339 -10.298 2.577 3 H3 MET 1 H3 MET 1 -12.068 -9.660 3.970 4 HA MET 1 HA MET 1 -10.099 -8.228 2.291 5 HB2 MET 1 HB2 MET 1 -12.265 -8.668 1.140 6 HB3 MET 1 HB3 MET 1 -13.104 -7.876 2.465 7 HG2 MET 1 HG2 MET 1 -12.113 -5.768 1.913 8 HG3 MET 1 HG3 MET 1 -11.060 -6.521 0.719 9 HE1 MET 1 HE1 MET 1 -13.571 -7.546 -2.097 10 HE2 MET 1 HE2 MET 1 -12.980 -8.551 -0.773 11 HE3 MET 1 HE3 MET 1 -11.878 -7.463 -1.615 12 H ILE 2 H ILE 2 -9.347 -6.389 3.175 13 HA ILE 2 HA ILE 2 -10.156 -5.764 5.903 14 HB ILE 2 HB ILE 2 -8.204 -4.159 5.820 15 HG12 ILE 2 HG12 ILE 2 -7.528 -5.676 3.280 16 HG13 ILE 2 HG13 ILE 2 -8.133 -4.025 3.313 17 HG21 ILE 2 HG21 ILE 2 -7.667 -7.093 5.390 18 HG22 ILE 2 HG22 ILE 2 -8.079 -6.316 6.918 19 HG23 ILE 2 HG23 ILE 2 -6.549 -5.943 6.125 20 HD11 ILE 2 HD11 ILE 2 -5.735 -4.086 2.998 21 HD12 ILE 2 HD12 ILE 2 -5.545 -4.984 4.503 22 HD13 ILE 2 HD13 ILE 2 -6.143 -3.325 4.534 23 H ARG 3 H ARG 3 -10.381 -3.519 6.565 24 HA ARG 3 HA ARG 3 -11.700 -1.860 4.535 25 HB2 ARG 3 HB2 ARG 3 -12.599 -2.591 7.014 26 HB3 ARG 3 HB3 ARG 3 -11.828 -1.057 7.378 27 HG2 ARG 3 HG2 ARG 3 -14.021 -1.493 5.350 28 HG3 ARG 3 HG3 ARG 3 -14.229 -0.812 6.962 29 HD2 ARG 3 HD2 ARG 3 -12.639 1.017 6.274 30 HD3 ARG 3 HD3 ARG 3 -12.718 0.371 4.636 31 HE ARG 3 HE ARG 3 -15.180 1.191 6.005 32 HH11 ARG 3 HH11 ARG 3 -12.886 1.665 3.385 33 HH12 ARG 3 HH12 ARG 3 -13.933 2.739 2.510 34 HH21 ARG 3 HH21 ARG 3 -16.514 2.621 4.877 35 HH22 ARG 3 HH22 ARG 3 -15.987 3.290 3.362 36 H LEU 4 H LEU 4 -10.425 -0.394 3.689 37 HA LEU 4 HA LEU 4 -8.285 0.795 5.335 38 HB2 LEU 4 HB2 LEU 4 -8.545 0.492 2.344 39 HB3 LEU 4 HB3 LEU 4 -7.304 1.464 3.111 40 HG LEU 4 HG LEU 4 -7.650 -1.502 3.555 41 HD11 LEU 4 HD11 LEU 4 -6.986 -1.035 1.254 42 HD12 LEU 4 HD12 LEU 4 -5.665 -1.763 2.169 43 HD13 LEU 4 HD13 LEU 4 -5.660 -0.031 1.837 44 HD21 LEU 4 HD21 LEU 4 -6.613 -0.314 5.411 45 HD22 LEU 4 HD22 LEU 4 -5.444 0.404 4.303 46 HD23 LEU 4 HD23 LEU 4 -5.447 -1.340 4.575 47 H THR 5 H THR 5 -7.906 3.067 5.169 48 HA THR 5 HA THR 5 -10.286 4.604 4.515 49 HB THR 5 HB THR 5 -9.046 5.052 6.639 50 HG1 THR 5 HG1 THR 5 -9.114 7.350 6.385 51 HG21 THR 5 HG21 THR 5 -6.976 6.371 6.579 52 HG22 THR 5 HG22 THR 5 -6.914 6.179 4.825 53 HG23 THR 5 HG23 THR 5 -6.751 4.769 5.873 54 H ILE 6 H ILE 6 -9.703 6.829 3.369 55 HA ILE 6 HA ILE 6 -9.184 6.045 0.692 56 HB ILE 6 HB ILE 6 -9.385 8.885 1.713 57 HG12 ILE 6 HG12 ILE 6 -11.315 7.670 2.568 58 HG13 ILE 6 HG13 ILE 6 -11.821 8.746 1.274 59 HG21 ILE 6 HG21 ILE 6 -10.276 9.394 -0.504 60 HG22 ILE 6 HG22 ILE 6 -10.055 7.711 -0.983 61 HG23 ILE 6 HG23 ILE 6 -8.652 8.713 -0.601 62 HD11 ILE 6 HD11 ILE 6 -11.922 6.845 -0.259 63 HD12 ILE 6 HD12 ILE 6 -12.963 6.612 1.145 64 HD13 ILE 6 HD13 ILE 6 -11.415 5.771 1.046 65 H GLU 7 H GLU 7 -7.258 7.631 3.143 66 HA GLU 7 HA GLU 7 -5.149 8.604 1.569 67 HB2 GLU 7 HB2 GLU 7 -5.043 7.596 4.420 68 HB3 GLU 7 HB3 GLU 7 -3.806 8.559 3.634 69 HG2 GLU 7 HG2 GLU 7 -4.869 10.192 4.762 70 HG3 GLU 7 HG3 GLU 7 -5.811 10.227 3.278 71 H GLU 8 H GLU 8 -5.518 5.487 3.246 72 HA GLU 8 HA GLU 8 -2.944 4.461 2.631 73 HB2 GLU 8 HB2 GLU 8 -5.480 3.000 3.399 74 HB3 GLU 8 HB3 GLU 8 -3.863 2.303 3.401 75 HG2 GLU 8 HG2 GLU 8 -3.157 3.842 5.108 76 HG3 GLU 8 HG3 GLU 8 -4.721 4.657 5.058 77 H THR 9 H THR 9 -6.079 4.140 1.072 78 HA THR 9 HA THR 9 -5.199 2.243 -0.875 79 HB THR 9 HB THR 9 -7.425 2.921 -2.004 80 HG1 THR 9 HG1 THR 9 -8.113 3.787 0.589 81 HG21 THR 9 HG21 THR 9 -7.328 1.634 0.717 82 HG22 THR 9 HG22 THR 9 -7.013 0.839 -0.825 83 HG23 THR 9 HG23 THR 9 -8.625 1.454 -0.465 84 H ASN 10 H ASN 10 -5.263 5.721 -0.713 85 HA ASN 10 HA ASN 10 -5.003 6.289 -3.479 86 HB2 ASN 10 HB2 ASN 10 -5.659 7.939 -1.721 87 HB3 ASN 10 HB3 ASN 10 -4.006 7.920 -1.128 88 HD21 ASN 10 HD21 ASN 10 -3.644 10.056 -1.494 89 HD22 ASN 10 HD22 ASN 10 -3.526 10.747 -3.075 90 H LEU 11 H LEU 11 -2.695 5.518 -0.956 91 HA LEU 11 HA LEU 11 -0.277 5.914 -2.363 92 HB2 LEU 11 HB2 LEU 11 -0.299 5.613 0.015 93 HB3 LEU 11 HB3 LEU 11 -1.076 4.049 -0.134 94 HG LEU 11 HG LEU 11 1.058 3.329 -1.371 95 HD11 LEU 11 HD11 LEU 11 2.026 5.510 -1.712 96 HD12 LEU 11 HD12 LEU 11 3.078 4.529 -0.690 97 HD13 LEU 11 HD13 LEU 11 2.072 5.787 0.029 98 HD21 LEU 11 HD21 LEU 11 2.121 2.766 0.727 99 HD22 LEU 11 HD22 LEU 11 0.374 2.551 0.824 100 HD23 LEU 11 HD23 LEU 11 1.132 3.962 1.562 101 H LEU 12 H LEU 12 -2.481 3.181 -2.115 102 HA LEU 12 HA LEU 12 -0.966 1.313 -3.628 103 HB2 LEU 12 HB2 LEU 12 -3.952 1.400 -3.180 104 HB3 LEU 12 HB3 LEU 12 -3.013 0.003 -3.672 105 HG LEU 12 HG LEU 12 -2.712 1.399 -1.014 106 HD11 LEU 12 HD11 LEU 12 -4.906 0.377 -1.200 107 HD12 LEU 12 HD12 LEU 12 -3.886 -0.534 -0.086 108 HD13 LEU 12 HD13 LEU 12 -4.171 -1.141 -1.718 109 HD21 LEU 12 HD21 LEU 12 -1.628 -1.222 -2.041 110 HD22 LEU 12 HD22 LEU 12 -1.459 -0.614 -0.392 111 HD23 LEU 12 HD23 LEU 12 -0.696 0.244 -1.732 112 H SER 13 H SER 13 -3.335 3.750 -4.415 113 HA SER 13 HA SER 13 -3.829 3.034 -7.102 114 HB2 SER 13 HB2 SER 13 -5.322 4.460 -5.725 115 HB3 SER 13 HB3 SER 13 -4.113 5.739 -5.776 116 HG SER 13 HG SER 13 -4.504 5.047 -8.258 117 H ILE 14 H ILE 14 -1.252 4.848 -5.585 118 HA ILE 14 HA ILE 14 -0.214 6.121 -7.898 119 HB ILE 14 HB ILE 14 1.176 5.267 -5.340 120 HG12 ILE 14 HG12 ILE 14 0.161 7.987 -6.197 121 HG13 ILE 14 HG13 ILE 14 -0.694 6.900 -5.109 122 HG21 ILE 14 HG21 ILE 14 2.171 7.150 -7.489 123 HG22 ILE 14 HG22 ILE 14 2.838 5.564 -7.099 124 HG23 ILE 14 HG23 ILE 14 2.944 6.876 -5.927 125 HD11 ILE 14 HD11 ILE 14 0.456 8.637 -3.881 126 HD12 ILE 14 HD12 ILE 14 1.991 8.159 -4.605 127 HD13 ILE 14 HD13 ILE 14 1.149 7.057 -3.515 128 H TYR 15 H TYR 15 0.394 2.965 -6.388 129 HA TYR 15 HA TYR 15 2.314 2.333 -8.491 130 HB2 TYR 15 HB2 TYR 15 1.681 0.965 -5.884 131 HB3 TYR 15 HB3 TYR 15 2.794 0.302 -7.072 132 HD1 TYR 15 HD2 TYR 15 4.869 1.577 -7.634 133 HD2 TYR 15 HD1 TYR 15 2.356 2.668 -4.385 134 HE1 TYR 15 HE2 TYR 15 6.708 2.875 -6.657 135 HE2 TYR 15 HE1 TYR 15 4.191 3.972 -3.396 136 HH TYR 15 HH TYR 15 6.991 4.783 -5.087 137 H ASN 16 H ASN 16 0.159 0.078 -6.842 138 HA ASN 16 HA ASN 16 -0.855 -1.805 -7.532 139 HB2 ASN 16 HB2 ASN 16 -2.486 -0.025 -8.247 140 HB3 ASN 16 HB3 ASN 16 -1.838 -0.178 -9.877 141 HD21 ASN 16 HD21 ASN 16 -3.699 -1.715 -7.374 142 HD22 ASN 16 HD22 ASN 16 -4.363 -2.968 -8.364 143 H GLU 17 H GLU 17 1.011 -3.023 -7.945 144 HA GLU 17 HA GLU 17 2.076 -3.086 -10.636 145 HB2 GLU 17 HB2 GLU 17 3.463 -3.154 -8.488 146 HB3 GLU 17 HB3 GLU 17 2.928 -4.814 -8.315 147 HG2 GLU 17 HG2 GLU 17 4.289 -3.952 -10.833 148 HG3 GLU 17 HG3 GLU 17 5.243 -4.252 -9.386 149 H GLY 18 H GLY 18 1.459 -5.883 -8.552 150 HA2 GLY 18 HA2 GLY 18 -0.405 -7.080 -10.386 151 HA3 GLY 18 HA3 GLY 18 1.216 -7.763 -10.493 152 H GLY 19 H GLY 19 -0.853 -6.621 -7.885 153 HA2 GLY 19 HA2 GLY 19 -1.850 -8.204 -6.299 154 HA3 GLY 19 HA3 GLY 19 -0.391 -9.180 -6.476 155 H LYS 20 H LYS 20 -0.626 -8.867 -4.032 156 HA LYS 20 HA LYS 20 0.091 -6.228 -3.084 157 HB2 LYS 20 HB2 LYS 20 -0.354 -7.026 -0.900 158 HB3 LYS 20 HB3 LYS 20 -1.607 -7.642 -1.952 159 HG2 LYS 20 HG2 LYS 20 -1.262 -9.600 -0.982 160 HG3 LYS 20 HG3 LYS 20 0.247 -9.687 -1.899 161 HD2 LYS 20 HD2 LYS 20 1.434 -8.611 -0.060 162 HD3 LYS 20 HD3 LYS 20 -0.074 -8.477 0.844 163 HE2 LYS 20 HE2 LYS 20 1.198 -10.344 1.649 164 HE3 LYS 20 HE3 LYS 20 -0.267 -10.914 0.854 165 HZ1 LYS 20 HZ1 LYS 20 1.100 -11.333 -1.144 166 HZ2 LYS 20 HZ2 LYS 20 1.554 -12.273 0.190 167 HZ3 LYS 20 HZ3 LYS 20 2.485 -10.927 -0.253 168 H ARG 21 H ARG 21 1.673 -9.173 -3.844 169 HA ARG 21 HA ARG 21 4.081 -8.856 -2.402 170 HB2 ARG 21 HB2 ARG 21 3.235 -10.838 -3.825 171 HB3 ARG 21 HB3 ARG 21 3.889 -9.954 -5.192 172 HG2 ARG 21 HG2 ARG 21 6.112 -10.038 -4.200 173 HG3 ARG 21 HG3 ARG 21 5.459 -10.914 -2.811 174 HD2 ARG 21 HD2 ARG 21 5.646 -11.832 -5.673 175 HD3 ARG 21 HD3 ARG 21 6.378 -12.558 -4.244 176 HE ARG 21 HE ARG 21 3.668 -12.620 -3.789 177 HH11 ARG 21 HH11 ARG 21 5.819 -13.980 -6.213 178 HH12 ARG 21 HH12 ARG 21 4.746 -15.299 -6.583 179 HH21 ARG 21 HH21 ARG 21 2.283 -14.322 -4.295 180 HH22 ARG 21 HH22 ARG 21 2.736 -15.491 -5.492 181 H GLY 22 H GLY 22 3.172 -7.967 -5.700 182 HA2 GLY 22 HA2 GLY 22 5.478 -6.488 -6.327 183 HA3 GLY 22 HA3 GLY 22 3.939 -6.401 -7.161 184 H LEU 23 H LEU 23 2.459 -5.528 -4.785 185 HA LEU 23 HA LEU 23 2.932 -2.744 -4.797 186 HB2 LEU 23 HB2 LEU 23 1.127 -4.567 -3.428 187 HB3 LEU 23 HB3 LEU 23 1.639 -3.250 -2.392 188 HG LEU 23 HG LEU 23 -0.452 -2.697 -3.467 189 HD11 LEU 23 HD11 LEU 23 1.076 -0.858 -3.058 190 HD12 LEU 23 HD12 LEU 23 0.152 -0.575 -4.533 191 HD13 LEU 23 HD13 LEU 23 1.830 -1.110 -4.632 192 HD21 LEU 23 HD21 LEU 23 -0.263 -4.101 -5.439 193 HD22 LEU 23 HD22 LEU 23 1.003 -3.052 -6.077 194 HD23 LEU 23 HD23 LEU 23 -0.637 -2.434 -5.880 195 H MET 24 H MET 24 3.933 -5.278 -2.513 196 HA MET 24 HA MET 24 5.196 -3.488 -0.699 197 HB2 MET 24 HB2 MET 24 5.438 -6.460 -1.106 198 HB3 MET 24 HB3 MET 24 6.359 -5.597 0.121 199 HG2 MET 24 HG2 MET 24 4.272 -4.827 1.138 200 HG3 MET 24 HG3 MET 24 3.361 -5.705 -0.091 201 HE1 MET 24 HE1 MET 24 2.744 -7.738 3.225 202 HE2 MET 24 HE2 MET 24 1.987 -6.844 1.905 203 HE3 MET 24 HE3 MET 24 2.972 -5.994 3.094 204 H GLU 25 H GLU 25 6.443 -5.399 -3.452 205 HA GLU 25 HA GLU 25 9.172 -4.770 -3.066 206 HB2 GLU 25 HB2 GLU 25 7.814 -5.336 -5.710 207 HB3 GLU 25 HB3 GLU 25 9.524 -5.510 -5.358 208 HG2 GLU 25 HG2 GLU 25 7.287 -7.157 -4.208 209 HG3 GLU 25 HG3 GLU 25 8.410 -7.663 -5.463 210 H ASN 26 H ASN 26 6.599 -3.085 -4.772 211 HA ASN 26 HA ASN 26 8.345 -1.131 -5.942 212 HB2 ASN 26 HB2 ASN 26 5.444 -1.673 -5.954 213 HB3 ASN 26 HB3 ASN 26 5.940 -0.008 -6.250 214 HD21 ASN 26 HD21 ASN 26 6.204 -3.313 -7.373 215 HD22 ASN 26 HD22 ASN 26 6.685 -2.915 -8.989 216 H ILE 27 H ILE 27 6.074 -1.122 -3.192 217 HA ILE 27 HA ILE 27 6.348 1.629 -2.618 218 HB ILE 27 HB ILE 27 5.349 -0.697 -0.989 219 HG12 ILE 27 HG12 ILE 27 3.982 1.792 -2.027 220 HG13 ILE 27 HG13 ILE 27 3.980 0.237 -2.846 221 HG21 ILE 27 HG21 ILE 27 4.618 0.836 0.767 222 HG22 ILE 27 HG22 ILE 27 5.465 2.160 -0.034 223 HG23 ILE 27 HG23 ILE 27 6.375 0.804 0.635 224 HD11 ILE 27 HD11 ILE 27 1.893 0.621 -1.668 225 HD12 ILE 27 HD12 ILE 27 2.767 0.817 -0.150 226 HD13 ILE 27 HD13 ILE 27 2.761 -0.744 -0.967 227 H ASN 28 H ASN 28 8.002 -1.200 -1.156 228 HA ASN 28 HA ASN 28 9.426 0.257 0.792 229 HB2 ASN 28 HB2 ASN 28 9.800 -2.464 -0.393 230 HB3 ASN 28 HB3 ASN 28 11.007 -1.807 0.705 231 HD21 ASN 28 HD21 ASN 28 7.878 -3.184 0.390 232 HD22 ASN 28 HD22 ASN 28 7.522 -3.277 2.080 233 H ALA 29 H ALA 29 10.280 -0.549 -2.530 234 HA ALA 29 HA ALA 29 13.023 0.311 -2.184 235 HB1 ALA 29 HB1 ALA 29 11.560 -0.488 -4.692 236 HB2 ALA 29 HB2 ALA 29 12.481 -1.571 -3.644 237 HB3 ALA 29 HB3 ALA 29 13.300 -0.273 -4.517 238 H ALA 30 H ALA 30 10.043 1.713 -3.385 239 HA ALA 30 HA ALA 30 11.556 3.960 -4.515 240 HB1 ALA 30 HB1 ALA 30 10.074 2.812 -6.078 241 HB2 ALA 30 HB2 ALA 30 9.579 4.486 -5.828 242 HB3 ALA 30 HB3 ALA 30 8.694 3.181 -5.043 243 H LEU 31 H LEU 31 10.589 3.373 -1.606 244 HA LEU 31 HA LEU 31 9.044 5.481 -0.692 245 HB2 LEU 31 HB2 LEU 31 11.460 4.206 0.557 246 HB3 LEU 31 HB3 LEU 31 10.473 5.391 1.381 247 HG LEU 31 HG LEU 31 9.497 2.702 0.416 248 HD11 LEU 31 HD11 LEU 31 10.219 3.683 3.171 249 HD12 LEU 31 HD12 LEU 31 11.111 2.496 2.221 250 HD13 LEU 31 HD13 LEU 31 9.485 2.123 2.793 251 HD21 LEU 31 HD21 LEU 31 8.195 4.786 2.158 252 HD22 LEU 31 HD22 LEU 31 7.534 3.194 1.776 253 HD23 LEU 31 HD23 LEU 31 7.741 4.394 0.500 254 HA PRO 32 HA PRO 32 12.934 8.493 -0.670 255 HB2 PRO 32 HB2 PRO 32 14.653 7.373 -2.789 256 HB3 PRO 32 HB3 PRO 32 15.096 8.049 -1.219 257 HG2 PRO 32 HG2 PRO 32 15.253 5.435 -1.672 258 HG3 PRO 32 HG3 PRO 32 14.704 6.063 -0.105 259 HD2 PRO 32 HD2 PRO 32 13.089 4.981 -2.385 260 HD3 PRO 32 HD3 PRO 32 12.938 4.656 -0.645 261 H PHE 33 H PHE 33 11.463 6.996 -3.408 262 HA PHE 33 HA PHE 33 11.805 9.341 -5.107 263 HB2 PHE 33 HB2 PHE 33 10.442 6.686 -5.596 264 HB3 PHE 33 HB3 PHE 33 10.504 7.992 -6.774 265 HD1 PHE 33 HD2 PHE 33 12.686 8.693 -7.722 266 HD2 PHE 33 HD1 PHE 33 12.291 5.233 -5.274 267 HE1 PHE 33 HE2 PHE 33 14.845 7.862 -8.553 268 HE2 PHE 33 HE1 PHE 33 14.449 4.401 -6.100 269 HZ PHE 33 HZ PHE 33 15.730 5.714 -7.743 270 H MET 34 H MET 34 9.680 8.257 -2.736 271 HA MET 34 HA MET 34 7.411 9.774 -3.805 272 HB2 MET 34 HB2 MET 34 7.671 7.785 -1.571 273 HB3 MET 34 HB3 MET 34 6.288 8.864 -1.665 274 HG2 MET 34 HG2 MET 34 5.921 7.971 -4.001 275 HG3 MET 34 HG3 MET 34 7.108 6.727 -3.601 276 HE1 MET 34 HE1 MET 34 6.584 6.130 -0.558 277 HE2 MET 34 HE2 MET 34 6.759 4.861 -1.771 278 HE3 MET 34 HE3 MET 34 5.394 4.832 -0.652 279 H ASP 35 H ASP 35 6.110 10.765 -1.837 280 HA ASP 35 HA ASP 35 7.698 12.917 -0.791 281 HB2 ASP 35 HB2 ASP 35 5.333 13.151 -1.632 282 HB3 ASP 35 HB3 ASP 35 4.800 12.223 -0.242 283 H GLU 36 H GLU 36 7.695 13.497 1.539 284 HA GLU 36 HA GLU 36 8.621 11.382 3.164 285 HB2 GLU 36 HB2 GLU 36 9.238 13.862 3.190 286 HB3 GLU 36 HB3 GLU 36 7.760 14.110 4.107 287 HG2 GLU 36 HG2 GLU 36 9.604 13.979 5.620 288 HG3 GLU 36 HG3 GLU 36 8.599 12.543 5.811 289 H ASP 37 H ASP 37 5.527 13.110 2.997 290 HA ASP 37 HA ASP 37 4.349 11.924 5.323 291 HB2 ASP 37 HB2 ASP 37 3.557 14.054 4.303 292 HB3 ASP 37 HB3 ASP 37 2.997 13.154 2.901 293 H MET 38 H MET 38 4.483 11.108 1.923 294 HA MET 38 HA MET 38 2.605 8.963 2.001 295 HB2 MET 38 HB2 MET 38 3.899 10.403 0.009 296 HB3 MET 38 HB3 MET 38 4.561 8.779 -0.141 297 HG2 MET 38 HG2 MET 38 2.626 9.034 -1.566 298 HG3 MET 38 HG3 MET 38 2.296 7.867 -0.285 299 HE1 MET 38 HE1 MET 38 -0.332 8.037 -0.760 300 HE2 MET 38 HE2 MET 38 -0.012 9.186 -2.059 301 HE3 MET 38 HE3 MET 38 -1.211 9.566 -0.822 302 H ARG 39 H ARG 39 6.027 9.211 2.641 303 HA ARG 39 HA ARG 39 6.703 6.454 2.463 304 HB2 ARG 39 HB2 ARG 39 8.309 8.428 2.531 305 HB3 ARG 39 HB3 ARG 39 8.024 8.500 4.263 306 HG2 ARG 39 HG2 ARG 39 8.761 6.054 4.310 307 HG3 ARG 39 HG3 ARG 39 9.357 6.331 2.676 308 HD2 ARG 39 HD2 ARG 39 11.207 6.683 4.065 309 HD3 ARG 39 HD3 ARG 39 10.641 8.298 3.651 310 HE ARG 39 HE ARG 39 9.370 7.690 6.001 311 HH11 ARG 39 HH11 ARG 39 12.723 7.955 4.992 312 HH12 ARG 39 HH12 ARG 39 13.284 8.349 6.586 313 HH21 ARG 39 HH21 ARG 39 10.121 8.201 8.063 314 HH22 ARG 39 HH22 ARG 39 11.815 8.491 8.328 315 H GLU 40 H GLU 40 5.645 8.520 5.159 316 HA GLU 40 HA GLU 40 5.732 6.463 7.124 317 HB2 GLU 40 HB2 GLU 40 4.152 9.035 7.193 318 HB3 GLU 40 HB3 GLU 40 4.603 8.046 8.573 319 HG2 GLU 40 HG2 GLU 40 6.486 9.563 6.778 320 HG3 GLU 40 HG3 GLU 40 6.006 10.021 8.410 321 H LEU 41 H LEU 41 3.258 7.640 4.948 322 HA LEU 41 HA LEU 41 1.060 6.183 5.992 323 HB2 LEU 41 HB2 LEU 41 0.723 8.035 4.485 324 HB3 LEU 41 HB3 LEU 41 1.654 7.242 3.230 325 HG LEU 41 HG LEU 41 -0.126 5.461 3.173 326 HD11 LEU 41 HD11 LEU 41 -1.625 7.468 4.848 327 HD12 LEU 41 HD12 LEU 41 -1.152 5.837 5.330 328 HD13 LEU 41 HD13 LEU 41 -2.335 6.070 4.043 329 HD21 LEU 41 HD21 LEU 41 -1.625 6.816 1.824 330 HD22 LEU 41 HD22 LEU 41 0.068 7.199 1.503 331 HD23 LEU 41 HD23 LEU 41 -0.909 8.280 2.497 332 H ALA 42 H ALA 42 3.613 5.429 3.718 333 HA ALA 42 HA ALA 42 2.661 3.088 2.578 334 HB1 ALA 42 HB1 ALA 42 4.975 2.637 2.025 335 HB2 ALA 42 HB2 ALA 42 5.501 3.839 3.205 336 HB3 ALA 42 HB3 ALA 42 4.589 4.341 1.781 337 H LYS 43 H LYS 43 4.475 3.566 5.555 338 HA LYS 43 HA LYS 43 4.894 0.841 6.188 339 HB2 LYS 43 HB2 LYS 43 4.716 3.216 8.047 340 HB3 LYS 43 HB3 LYS 43 5.470 1.669 8.406 341 HG2 LYS 43 HG2 LYS 43 7.216 2.061 6.862 342 HG3 LYS 43 HG3 LYS 43 6.375 3.450 6.171 343 HD2 LYS 43 HD2 LYS 43 6.625 4.662 8.266 344 HD3 LYS 43 HD3 LYS 43 7.431 3.266 8.989 345 HE2 LYS 43 HE2 LYS 43 9.220 3.449 7.333 346 HE3 LYS 43 HE3 LYS 43 8.413 4.846 6.617 347 HZ1 LYS 43 HZ1 LYS 43 8.762 6.101 8.582 348 HZ2 LYS 43 HZ2 LYS 43 10.250 5.382 8.186 349 HZ3 LYS 43 HZ3 LYS 43 9.311 4.744 9.442 350 H ARG 44 H ARG 44 2.284 3.091 6.894 351 HA ARG 44 HA ARG 44 0.875 1.456 8.743 352 HB2 ARG 44 HB2 ARG 44 -0.134 3.704 6.985 353 HB3 ARG 44 HB3 ARG 44 -1.021 2.988 8.322 354 HG2 ARG 44 HG2 ARG 44 1.566 4.521 8.525 355 HG3 ARG 44 HG3 ARG 44 -0.039 5.113 8.960 356 HD2 ARG 44 HD2 ARG 44 1.385 2.784 10.240 357 HD3 ARG 44 HD3 ARG 44 1.266 4.403 10.923 358 HE ARG 44 HE ARG 44 -1.294 3.831 10.685 359 HH11 ARG 44 HH11 ARG 44 1.280 1.690 11.745 360 HH12 ARG 44 HH12 ARG 44 0.247 0.808 12.832 361 HH21 ARG 44 HH21 ARG 44 -2.617 2.637 12.092 362 HH22 ARG 44 HH22 ARG 44 -1.936 1.336 13.024 363 H THR 45 H THR 45 0.634 1.946 5.255 364 HA THR 45 HA THR 45 -1.714 0.369 4.901 365 HB THR 45 HB THR 45 0.306 1.119 2.778 366 HG1 THR 45 HG1 THR 45 -0.388 2.990 3.964 367 HG21 THR 45 HG21 THR 45 -1.660 1.113 1.297 368 HG22 THR 45 HG22 THR 45 -2.667 0.590 2.649 369 HG23 THR 45 HG23 THR 45 -1.389 -0.463 2.040 370 H LEU 46 H LEU 46 1.779 -0.278 4.598 371 HA LEU 46 HA LEU 46 1.531 -2.888 3.523 372 HB2 LEU 46 HB2 LEU 46 3.759 -1.657 5.126 373 HB3 LEU 46 HB3 LEU 46 3.853 -3.227 4.358 374 HG LEU 46 HG LEU 46 3.542 -0.573 2.955 375 HD11 LEU 46 HD11 LEU 46 5.833 -2.515 3.115 376 HD12 LEU 46 HD12 LEU 46 5.748 -0.929 3.881 377 HD13 LEU 46 HD13 LEU 46 5.788 -1.057 2.122 378 HD21 LEU 46 HD21 LEU 46 3.795 -1.824 0.879 379 HD22 LEU 46 HD22 LEU 46 2.362 -2.358 1.758 380 HD23 LEU 46 HD23 LEU 46 3.827 -3.339 1.783 381 H ALA 47 H ALA 47 1.367 -1.677 6.804 382 HA ALA 47 HA ALA 47 1.555 -4.208 8.112 383 HB1 ALA 47 HB1 ALA 47 1.985 -2.107 9.278 384 HB2 ALA 47 HB2 ALA 47 0.704 -3.024 10.071 385 HB3 ALA 47 HB3 ALA 47 0.299 -1.638 9.060 386 H LYS 48 H LYS 48 -0.966 -2.562 6.432 387 HA LYS 48 HA LYS 48 -3.157 -4.027 7.625 388 HB2 LYS 48 HB2 LYS 48 -3.072 -2.230 5.196 389 HB3 LYS 48 HB3 LYS 48 -4.529 -2.849 5.958 390 HG2 LYS 48 HG2 LYS 48 -2.585 -1.214 7.519 391 HG3 LYS 48 HG3 LYS 48 -3.743 -0.440 6.441 392 HD2 LYS 48 HD2 LYS 48 -5.588 -1.405 7.657 393 HD3 LYS 48 HD3 LYS 48 -4.479 -2.333 8.672 394 HE2 LYS 48 HE2 LYS 48 -3.651 -0.385 9.717 395 HE3 LYS 48 HE3 LYS 48 -4.378 0.666 8.505 396 HZ1 LYS 48 HZ1 LYS 48 -6.530 0.204 9.351 397 HZ2 LYS 48 HZ2 LYS 48 -5.550 0.621 10.672 398 HZ3 LYS 48 HZ3 LYS 48 -5.946 -1.002 10.388 399 H ILE 49 H ILE 49 -1.148 -4.211 4.729 400 HA ILE 49 HA ILE 49 -2.850 -6.296 3.583 401 HB ILE 49 HB ILE 49 -0.324 -5.256 2.289 402 HG12 ILE 49 HG12 ILE 49 -3.062 -4.049 1.880 403 HG13 ILE 49 HG13 ILE 49 -1.877 -3.347 2.977 404 HG21 ILE 49 HG21 ILE 49 -1.547 -5.798 0.230 405 HG22 ILE 49 HG22 ILE 49 -2.914 -6.346 1.201 406 HG23 ILE 49 HG23 ILE 49 -1.375 -7.203 1.284 407 HD11 ILE 49 HD11 ILE 49 -1.509 -3.759 0.019 408 HD12 ILE 49 HD12 ILE 49 -0.334 -3.043 1.120 409 HD13 ILE 49 HD13 ILE 49 -1.869 -2.229 0.820 410 H ALA 50 H ALA 50 -0.037 -6.014 5.513 411 HA ALA 50 HA ALA 50 1.354 -8.348 5.032 412 HB1 ALA 50 HB1 ALA 50 2.166 -8.210 7.294 413 HB2 ALA 50 HB2 ALA 50 0.822 -7.165 7.751 414 HB3 ALA 50 HB3 ALA 50 2.037 -6.588 6.612 415 HA PRO 51 HA PRO 51 -1.615 -11.075 7.646 416 HB2 PRO 51 HB2 PRO 51 -4.174 -9.788 8.013 417 HB3 PRO 51 HB3 PRO 51 -3.061 -10.403 9.234 418 HG2 PRO 51 HG2 PRO 51 -3.607 -7.757 8.835 419 HG3 PRO 51 HG3 PRO 51 -2.115 -8.373 9.566 420 HD2 PRO 51 HD2 PRO 51 -2.619 -7.396 6.797 421 HD3 PRO 51 HD3 PRO 51 -1.189 -7.189 7.830 422 H LEU 52 H LEU 52 -2.372 -9.300 4.892 423 HA LEU 52 HA LEU 52 -4.515 -11.058 4.021 424 HB2 LEU 52 HB2 LEU 52 -3.010 -8.940 2.470 425 HB3 LEU 52 HB3 LEU 52 -4.372 -9.860 1.868 426 HG LEU 52 HG LEU 52 -4.400 -7.765 4.035 427 HD11 LEU 52 HD11 LEU 52 -4.310 -6.950 1.738 428 HD12 LEU 52 HD12 LEU 52 -5.867 -6.592 2.488 429 HD13 LEU 52 HD13 LEU 52 -5.725 -7.920 1.333 430 HD21 LEU 52 HD21 LEU 52 -5.923 -9.573 4.656 431 HD22 LEU 52 HD22 LEU 52 -6.682 -9.485 3.066 432 HD23 LEU 52 HD23 LEU 52 -6.808 -8.124 4.181 433 H THR 53 H THR 53 -4.235 -12.750 2.713 434 HA THR 53 HA THR 53 -1.576 -13.491 1.867 435 HB THR 53 HB THR 53 -2.870 -15.326 2.642 436 HG1 THR 53 HG1 THR 53 -2.888 -16.719 0.891 437 HG21 THR 53 HG21 THR 53 -5.050 -14.542 0.728 438 HG22 THR 53 HG22 THR 53 -5.089 -14.408 2.486 439 HG23 THR 53 HG23 THR 53 -5.037 -15.998 1.723 440 H GLU 54 H GLU 54 -1.572 -14.326 -0.619 441 HA GLU 54 HA GLU 54 -1.186 -11.881 -1.949 442 HB2 GLU 54 HB2 GLU 54 0.087 -14.029 -2.239 443 HB3 GLU 54 HB3 GLU 54 -1.258 -14.623 -3.199 444 HG2 GLU 54 HG2 GLU 54 0.481 -13.837 -4.650 445 HG3 GLU 54 HG3 GLU 54 -0.913 -12.760 -4.775 446 H ASN 55 H ASN 55 -3.676 -14.321 -2.275 447 HA ASN 55 HA ASN 55 -4.771 -13.282 -4.692 448 HB2 ASN 55 HB2 ASN 55 -4.764 -15.706 -3.683 449 HB3 ASN 55 HB3 ASN 55 -6.281 -15.182 -2.957 450 HD21 ASN 55 HD21 ASN 55 -8.050 -14.804 -4.262 451 HD22 ASN 55 HD22 ASN 55 -8.094 -15.281 -5.925 452 H GLU 56 H GLU 56 -5.428 -12.766 -1.297 453 HA GLU 56 HA GLU 56 -8.078 -11.837 -1.399 454 HB2 GLU 56 HB2 GLU 56 -5.816 -11.200 0.483 455 HB3 GLU 56 HB3 GLU 56 -7.418 -10.510 0.681 456 HG2 GLU 56 HG2 GLU 56 -6.850 -13.451 0.602 457 HG3 GLU 56 HG3 GLU 56 -6.947 -12.498 2.079 458 H TYR 57 H TYR 57 -5.042 -9.958 -1.505 459 HA TYR 57 HA TYR 57 -6.335 -7.446 -1.836 460 HB2 TYR 57 HB2 TYR 57 -4.101 -7.577 -0.867 461 HB3 TYR 57 HB3 TYR 57 -3.459 -8.250 -2.361 462 HD1 TYR 57 HD1 TYR 57 -4.870 -5.180 -0.829 463 HD2 TYR 57 HD2 TYR 57 -2.816 -6.842 -4.166 464 HE1 TYR 57 HE1 TYR 57 -4.420 -2.919 -1.685 465 HE2 TYR 57 HE2 TYR 57 -2.354 -4.590 -5.018 466 HH TYR 57 HH TYR 57 -3.477 -2.308 -4.791 467 H ALA 58 H ALA 58 -5.404 -9.924 -4.090 468 HA ALA 58 HA ALA 58 -5.240 -8.380 -6.450 469 HB1 ALA 58 HB1 ALA 58 -6.029 -11.273 -6.123 470 HB2 ALA 58 HB2 ALA 58 -4.383 -10.661 -6.278 471 HB3 ALA 58 HB3 ALA 58 -5.511 -10.499 -7.623 472 H GLU 59 H GLU 59 -7.976 -9.690 -4.676 473 HA GLU 59 HA GLU 59 -9.892 -9.032 -6.719 474 HB2 GLU 59 HB2 GLU 59 -10.242 -9.968 -3.874 475 HB3 GLU 59 HB3 GLU 59 -11.572 -9.695 -4.995 476 HG2 GLU 59 HG2 GLU 59 -10.554 -11.355 -6.531 477 HG3 GLU 59 HG3 GLU 59 -9.333 -11.683 -5.304 478 H LEU 60 H LEU 60 -8.343 -7.262 -4.219 479 HA LEU 60 HA LEU 60 -10.436 -5.248 -4.009 480 HB2 LEU 60 HB2 LEU 60 -7.677 -5.497 -2.851 481 HB3 LEU 60 HB3 LEU 60 -8.464 -3.935 -2.887 482 HG LEU 60 HG LEU 60 -10.403 -5.267 -1.672 483 HD11 LEU 60 HD11 LEU 60 -9.513 -6.921 -0.116 484 HD12 LEU 60 HD12 LEU 60 -7.934 -6.804 -0.898 485 HD13 LEU 60 HD13 LEU 60 -9.314 -7.438 -1.791 486 HD21 LEU 60 HD21 LEU 60 -9.452 -4.535 0.461 487 HD22 LEU 60 HD22 LEU 60 -9.238 -3.312 -0.792 488 HD23 LEU 60 HD23 LEU 60 -7.880 -4.331 -0.311 489 H ALA 61 H ALA 61 -7.159 -5.475 -5.324 490 HA ALA 61 HA ALA 61 -5.915 -4.258 -6.727 491 HB1 ALA 61 HB1 ALA 61 -6.883 -3.516 -8.803 492 HB2 ALA 61 HB2 ALA 61 -8.505 -3.594 -8.115 493 HB3 ALA 61 HB3 ALA 61 -7.576 -5.074 -8.350 494 H ILE 62 H ILE 62 -8.246 -1.816 -7.537 495 HA ILE 62 HA ILE 62 -7.138 -0.030 -5.462 496 HB ILE 62 HB ILE 62 -8.416 0.864 -8.068 497 HG12 ILE 62 HG12 ILE 62 -6.274 -0.215 -8.567 498 HG13 ILE 62 HG13 ILE 62 -6.173 1.521 -8.823 499 HG21 ILE 62 HG21 ILE 62 -8.635 2.478 -6.255 500 HG22 ILE 62 HG22 ILE 62 -7.536 3.074 -7.499 501 HG23 ILE 62 HG23 ILE 62 -6.892 2.432 -5.989 502 HD11 ILE 62 HD11 ILE 62 -4.998 1.767 -6.703 503 HD12 ILE 62 HD12 ILE 62 -4.162 0.643 -7.776 504 HD13 ILE 62 HD13 ILE 62 -5.122 0.030 -6.430 505 H PHE 63 H PHE 63 -8.566 -0.559 -3.893 506 HA PHE 63 HA PHE 63 -11.431 -0.474 -4.463 507 HB2 PHE 63 HB2 PHE 63 -10.003 -2.264 -3.049 508 HB3 PHE 63 HB3 PHE 63 -10.391 -1.134 -1.758 509 HD1 PHE 63 HD1 PHE 63 -11.837 -3.374 -4.303 510 HD2 PHE 63 HD2 PHE 63 -12.555 -1.069 -0.798 511 HE1 PHE 63 HE1 PHE 63 -14.035 -4.452 -4.053 512 HE2 PHE 63 HE2 PHE 63 -14.755 -2.143 -0.543 513 HZ PHE 63 HZ PHE 63 -15.494 -3.837 -2.167 514 H ALA 64 H ALA 64 -12.292 1.485 -4.332 515 HA ALA 64 HA ALA 64 -12.723 3.648 -3.875 516 HB1 ALA 64 HB1 ALA 64 -11.285 3.288 -1.240 517 HB2 ALA 64 HB2 ALA 64 -13.006 2.999 -1.511 518 HB3 ALA 64 HB3 ALA 64 -12.346 4.625 -1.690 519 H ALA 65 H ALA 65 -11.211 5.709 -2.825 520 HA ALA 65 HA ALA 65 -9.376 7.020 -2.878 521 HB1 ALA 65 HB1 ALA 65 -8.032 5.035 -2.376 522 HB2 ALA 65 HB2 ALA 65 -7.191 6.256 -3.328 523 HB3 ALA 65 HB3 ALA 65 -7.801 4.796 -4.109 524 H ASP 66 H ASP 66 -10.433 5.465 -5.776 525 HA ASP 66 HA ASP 66 -8.946 7.142 -7.558 526 HB2 ASP 66 HB2 ASP 66 -10.364 6.219 -9.338 527 HB3 ASP 66 HB3 ASP 66 -9.775 4.937 -8.285 528 H GLU 67 H GLU 67 -11.662 7.663 -5.661 529 HA GLU 67 HA GLU 67 -13.089 9.470 -7.335 530 HB2 GLU 67 HB2 GLU 67 -13.285 8.968 -4.360 531 HB3 GLU 67 HB3 GLU 67 -14.441 9.889 -5.317 532 HG2 GLU 67 HG2 GLU 67 -15.068 7.947 -6.553 533 HG3 GLU 67 HG3 GLU 67 -13.773 7.001 -5.826 534 H VAL 68 H VAL 68 -10.244 9.840 -5.450 535 HA VAL 68 HA VAL 68 -10.633 12.654 -4.945 536 HB VAL 68 HB VAL 68 -8.368 12.772 -4.168 537 HG11 VAL 68 HG11 VAL 68 -9.974 11.810 -2.652 538 HG12 VAL 68 HG12 VAL 68 -8.390 11.078 -2.407 539 HG13 VAL 68 HG13 VAL 68 -9.645 10.197 -3.282 540 HG21 VAL 68 HG21 VAL 68 -6.797 10.891 -4.232 541 HG22 VAL 68 HG22 VAL 68 -7.215 11.444 -5.854 542 HG23 VAL 68 HG23 VAL 68 -7.942 9.970 -5.214 543 H LEU 69 H LEU 69 -9.504 10.730 -7.580 544 HA LEU 69 HA LEU 69 -8.032 12.767 -8.965 545 HB2 LEU 69 HB2 LEU 69 -9.301 10.276 -10.105 546 HB3 LEU 69 HB3 LEU 69 -8.004 11.211 -10.817 547 HG LEU 69 HG LEU 69 -7.782 9.640 -8.247 548 HD11 LEU 69 HD11 LEU 69 -6.789 9.003 -11.016 549 HD12 LEU 69 HD12 LEU 69 -8.087 8.174 -10.159 550 HD13 LEU 69 HD13 LEU 69 -6.432 8.081 -9.556 551 HD21 LEU 69 HD21 LEU 69 -5.375 10.020 -8.487 552 HD22 LEU 69 HD22 LEU 69 -6.251 11.541 -8.323 553 HD23 LEU 69 HD23 LEU 69 -5.673 11.023 -9.906 554 H GLU 70 H GLU 70 -11.334 11.951 -8.620 555 HA GLU 70 HA GLU 70 -12.203 13.656 -10.816 556 HB2 GLU 70 HB2 GLU 70 -13.240 11.431 -10.290 557 HB3 GLU 70 HB3 GLU 70 -13.797 12.096 -8.765 558 HG2 GLU 70 HG2 GLU 70 -14.579 13.500 -11.251 559 HG3 GLU 70 HG3 GLU 70 -15.323 11.943 -10.929 560 H HIS 71 H HIS 71 -11.933 13.586 -7.312 561 HA HIS 71 HA HIS 71 -13.756 15.698 -6.768 562 HB2 HIS 71 HB2 HIS 71 -12.927 13.791 -5.218 563 HB3 HIS 71 HB3 HIS 71 -11.575 14.863 -4.884 564 HD1 HIS 71 HD1 HIS 71 -15.191 14.368 -4.201 565 HD2 HIS 71 HD2 HIS 71 -12.222 17.157 -3.359 566 HE1 HIS 71 HE1 HIS 71 -16.118 15.818 -2.370 567 HE2 HIS 71 HE2 HIS 71 -14.222 17.347 -1.731 568 H HIS 72 H HIS 72 -10.163 15.587 -6.755 569 HA HIS 72 HA HIS 72 -10.239 18.517 -6.752 570 HB2 HIS 72 HB2 HIS 72 -7.920 18.547 -6.054 571 HB3 HIS 72 HB3 HIS 72 -8.861 17.555 -4.962 572 HD1 HIS 72 HD1 HIS 72 -8.004 15.221 -4.534 573 HD2 HIS 72 HD2 HIS 72 -6.131 17.027 -7.770 574 HE1 HIS 72 HE1 HIS 72 -6.089 13.709 -5.142 575 HE2 HIS 72 HE2 HIS 72 -4.877 14.911 -6.990 576 H HIS 73 H HIS 73 -9.646 15.879 -8.804 577 HA HIS 73 HA HIS 73 -8.717 15.492 -10.820 578 HB2 HIS 73 HB2 HIS 73 -9.167 18.454 -11.241 579 HB3 HIS 73 HB3 HIS 73 -8.664 17.335 -12.499 580 HD1 HIS 73 HD1 HIS 73 -11.606 18.816 -11.027 581 HD2 HIS 73 HD2 HIS 73 -10.732 15.266 -12.995 582 HE1 HIS 73 HE1 HIS 73 -13.816 17.928 -11.825 583 HE2 HIS 73 HE2 HIS 73 -13.280 15.697 -12.853 584 H HIS 74 H HIS 74 -7.304 18.686 -10.948 585 HA HIS 74 HA HIS 74 -4.812 17.829 -9.677 586 HB2 HIS 74 HB2 HIS 74 -4.961 19.167 -12.401 587 HB3 HIS 74 HB3 HIS 74 -3.493 19.056 -11.444 588 HD1 HIS 74 HD1 HIS 74 -2.662 16.493 -10.994 589 HD2 HIS 74 HD2 HIS 74 -5.344 17.098 -14.109 590 HE1 HIS 74 HE1 HIS 74 -2.478 14.454 -12.448 591 HE2 HIS 74 HE2 HIS 74 -4.225 14.772 -14.232 592 H HIS 75 H HIS 75 -3.661 19.700 -8.777 593 HA HIS 75 HA HIS 75 -5.409 21.988 -8.415 594 HB2 HIS 75 HB2 HIS 75 -4.140 21.042 -6.474 595 HB3 HIS 75 HB3 HIS 75 -2.652 21.595 -7.229 596 HD1 HIS 75 HD1 HIS 75 -1.856 23.759 -6.326 597 HD2 HIS 75 HD2 HIS 75 -5.998 23.441 -6.114 598 HE1 HIS 75 HE1 HIS 75 -2.642 25.872 -5.224 599 HE2 HIS 75 HE2 HIS 75 -5.128 25.604 -4.996 600 H HIS 76 H HIS 76 -5.484 22.847 -10.413 601 HA HIS 76 HA HIS 76 -3.477 24.772 -11.070 602 HB2 HIS 76 HB2 HIS 76 -2.625 22.618 -12.160 603 HB3 HIS 76 HB3 HIS 76 -4.045 22.679 -13.192 604 HD1 HIS 76 HD1 HIS 76 -3.038 23.211 -15.411 605 HD2 HIS 76 HD2 HIS 76 -1.664 25.745 -12.412 606 HE1 HIS 76 HE1 HIS 76 -1.647 24.949 -16.576 607 HE2 HIS 76 HE2 HIS 76 -0.841 26.490 -14.749 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -12.307 -10.217 3.237 2 H2 MET 1 H2 MET 1 -12.412 -9.587 4.807 3 H3 MET 1 H3 MET 1 -10.898 -9.891 4.117 4 HA MET 1 HA MET 1 -11.175 -8.184 2.512 5 HB2 MET 1 HB2 MET 1 -13.623 -8.473 2.213 6 HB3 MET 1 HB3 MET 1 -13.893 -7.737 3.785 7 HG2 MET 1 HG2 MET 1 -12.906 -5.647 2.958 8 HG3 MET 1 HG3 MET 1 -12.689 -6.391 1.375 9 HE1 MET 1 HE1 MET 1 -15.543 -3.955 0.534 10 HE2 MET 1 HE2 MET 1 -13.965 -4.597 0.075 11 HE3 MET 1 HE3 MET 1 -14.139 -3.667 1.564 12 H ILE 2 H ILE 2 -9.817 -6.650 3.177 13 HA ILE 2 HA ILE 2 -9.959 -5.729 5.931 14 HB ILE 2 HB ILE 2 -7.752 -6.341 4.864 15 HG12 ILE 2 HG12 ILE 2 -7.855 -3.477 5.835 16 HG13 ILE 2 HG13 ILE 2 -8.028 -4.865 6.903 17 HG21 ILE 2 HG21 ILE 2 -6.656 -4.679 3.425 18 HG22 ILE 2 HG22 ILE 2 -8.157 -3.756 3.365 19 HG23 ILE 2 HG23 ILE 2 -8.089 -5.373 2.665 20 HD11 ILE 2 HD11 ILE 2 -5.625 -4.203 5.226 21 HD12 ILE 2 HD12 ILE 2 -5.791 -5.612 6.276 22 HD13 ILE 2 HD13 ILE 2 -5.781 -3.991 6.969 23 H ARG 3 H ARG 3 -10.313 -3.617 6.540 24 HA ARG 3 HA ARG 3 -11.702 -1.967 4.565 25 HB2 ARG 3 HB2 ARG 3 -11.829 -2.184 7.540 26 HB3 ARG 3 HB3 ARG 3 -12.207 -0.636 6.804 27 HG2 ARG 3 HG2 ARG 3 -14.244 -1.817 7.165 28 HG3 ARG 3 HG3 ARG 3 -13.940 -1.766 5.432 29 HD2 ARG 3 HD2 ARG 3 -13.179 -4.053 5.450 30 HD3 ARG 3 HD3 ARG 3 -13.311 -4.121 7.210 31 HE ARG 3 HE ARG 3 -15.811 -3.396 6.226 32 HH11 ARG 3 HH11 ARG 3 -13.710 -6.215 6.062 33 HH12 ARG 3 HH12 ARG 3 -15.032 -7.329 5.915 34 HH21 ARG 3 HH21 ARG 3 -17.511 -4.870 6.035 35 HH22 ARG 3 HH22 ARG 3 -17.189 -6.569 5.892 36 H LEU 4 H LEU 4 -10.355 -0.692 3.533 37 HA LEU 4 HA LEU 4 -8.251 0.712 5.030 38 HB2 LEU 4 HB2 LEU 4 -8.493 0.192 2.067 39 HB3 LEU 4 HB3 LEU 4 -7.182 1.070 2.831 40 HG LEU 4 HG LEU 4 -7.812 -1.824 3.415 41 HD11 LEU 4 HD11 LEU 4 -5.883 -2.350 2.008 42 HD12 LEU 4 HD12 LEU 4 -5.762 -0.651 1.545 43 HD13 LEU 4 HD13 LEU 4 -7.183 -1.593 1.087 44 HD21 LEU 4 HD21 LEU 4 -5.565 -1.825 4.373 45 HD22 LEU 4 HD22 LEU 4 -6.612 -0.662 5.183 46 HD23 LEU 4 HD23 LEU 4 -5.410 -0.105 4.018 47 H THR 5 H THR 5 -7.939 2.951 4.677 48 HA THR 5 HA THR 5 -10.417 4.337 4.109 49 HB THR 5 HB THR 5 -9.049 4.938 6.108 50 HG1 THR 5 HG1 THR 5 -10.347 6.587 5.601 51 HG21 THR 5 HG21 THR 5 -7.054 6.340 5.849 52 HG22 THR 5 HG22 THR 5 -7.113 6.095 4.103 53 HG23 THR 5 HG23 THR 5 -6.808 4.728 5.173 54 H ILE 6 H ILE 6 -10.116 6.498 2.865 55 HA ILE 6 HA ILE 6 -9.757 5.794 0.163 56 HB ILE 6 HB ILE 6 -9.909 8.616 1.253 57 HG12 ILE 6 HG12 ILE 6 -11.737 7.313 2.239 58 HG13 ILE 6 HG13 ILE 6 -12.355 8.466 1.066 59 HG21 ILE 6 HG21 ILE 6 -10.781 7.466 -1.396 60 HG22 ILE 6 HG22 ILE 6 -9.381 8.502 -1.113 61 HG23 ILE 6 HG23 ILE 6 -11.008 9.136 -0.872 62 HD11 ILE 6 HD11 ILE 6 -12.607 6.665 -0.565 63 HD12 ILE 6 HD12 ILE 6 -13.512 6.337 0.914 64 HD13 ILE 6 HD13 ILE 6 -11.981 5.514 0.615 65 H GLU 7 H GLU 7 -7.664 7.437 2.467 66 HA GLU 7 HA GLU 7 -5.775 8.383 0.553 67 HB2 GLU 7 HB2 GLU 7 -6.171 9.315 2.875 68 HB3 GLU 7 HB3 GLU 7 -5.274 7.933 3.490 69 HG2 GLU 7 HG2 GLU 7 -3.820 9.833 3.347 70 HG3 GLU 7 HG3 GLU 7 -3.331 8.622 2.163 71 H GLU 8 H GLU 8 -6.014 5.432 2.500 72 HA GLU 8 HA GLU 8 -3.385 4.490 1.945 73 HB2 GLU 8 HB2 GLU 8 -5.867 3.041 2.844 74 HB3 GLU 8 HB3 GLU 8 -4.298 2.269 2.666 75 HG2 GLU 8 HG2 GLU 8 -3.359 3.791 4.312 76 HG3 GLU 8 HG3 GLU 8 -4.939 4.559 4.493 77 H THR 9 H THR 9 -6.525 3.994 0.409 78 HA THR 9 HA THR 9 -5.549 2.104 -1.507 79 HB THR 9 HB THR 9 -8.061 3.716 -1.891 80 HG1 THR 9 HG1 THR 9 -7.439 1.896 0.129 81 HG21 THR 9 HG21 THR 9 -7.322 0.840 -2.468 82 HG22 THR 9 HG22 THR 9 -7.388 2.140 -3.657 83 HG23 THR 9 HG23 THR 9 -8.864 1.607 -2.851 84 H ASN 10 H ASN 10 -5.809 5.594 -1.354 85 HA ASN 10 HA ASN 10 -5.326 6.216 -4.077 86 HB2 ASN 10 HB2 ASN 10 -6.125 7.829 -2.335 87 HB3 ASN 10 HB3 ASN 10 -4.524 7.796 -1.616 88 HD21 ASN 10 HD21 ASN 10 -4.043 9.902 -1.905 89 HD22 ASN 10 HD22 ASN 10 -3.830 10.636 -3.461 90 H LEU 11 H LEU 11 -3.220 5.693 -1.305 91 HA LEU 11 HA LEU 11 -0.736 6.132 -2.586 92 HB2 LEU 11 HB2 LEU 11 -1.106 6.219 -0.163 93 HB3 LEU 11 HB3 LEU 11 -1.458 4.504 -0.147 94 HG LEU 11 HG LEU 11 0.883 4.072 -0.883 95 HD11 LEU 11 HD11 LEU 11 1.238 7.011 -0.327 96 HD12 LEU 11 HD12 LEU 11 1.372 6.230 -1.902 97 HD13 LEU 11 HD13 LEU 11 2.534 5.852 -0.629 98 HD21 LEU 11 HD21 LEU 11 0.508 5.614 1.671 99 HD22 LEU 11 HD22 LEU 11 1.842 4.517 1.312 100 HD23 LEU 11 HD23 LEU 11 0.196 3.894 1.434 101 H LEU 12 H LEU 12 -2.760 3.283 -2.128 102 HA LEU 12 HA LEU 12 -1.010 1.324 -3.152 103 HB2 LEU 12 HB2 LEU 12 -4.023 1.426 -3.100 104 HB3 LEU 12 HB3 LEU 12 -3.107 0.026 -3.620 105 HG LEU 12 HG LEU 12 -3.038 1.235 -0.855 106 HD11 LEU 12 HD11 LEU 12 -4.333 -1.279 -1.899 107 HD12 LEU 12 HD12 LEU 12 -5.161 0.165 -1.313 108 HD13 LEU 12 HD13 LEU 12 -4.212 -0.821 -0.199 109 HD21 LEU 12 HD21 LEU 12 -1.761 -1.267 -1.947 110 HD22 LEU 12 HD22 LEU 12 -1.771 -0.770 -0.254 111 HD23 LEU 12 HD23 LEU 12 -0.920 0.203 -1.456 112 H SER 13 H SER 13 -3.251 3.539 -4.724 113 HA SER 13 HA SER 13 -3.293 2.345 -7.282 114 HB2 SER 13 HB2 SER 13 -3.703 5.253 -6.544 115 HB3 SER 13 HB3 SER 13 -4.184 4.498 -8.060 116 HG SER 13 HG SER 13 -5.129 3.733 -5.503 117 H ILE 14 H ILE 14 -0.999 4.459 -5.733 118 HA ILE 14 HA ILE 14 0.264 5.472 -8.073 119 HB ILE 14 HB ILE 14 1.338 5.300 -5.236 120 HG12 ILE 14 HG12 ILE 14 -0.090 7.623 -6.543 121 HG13 ILE 14 HG13 ILE 14 -0.896 6.455 -5.502 122 HG21 ILE 14 HG21 ILE 14 2.739 7.208 -5.840 123 HG22 ILE 14 HG22 ILE 14 2.131 7.146 -7.496 124 HG23 ILE 14 HG23 ILE 14 3.094 5.812 -6.859 125 HD11 ILE 14 HD11 ILE 14 -0.360 8.492 -4.303 126 HD12 ILE 14 HD12 ILE 14 1.347 8.295 -4.696 127 HD13 ILE 14 HD13 ILE 14 0.542 7.127 -3.646 128 H TYR 15 H TYR 15 0.803 2.639 -6.002 129 HA TYR 15 HA TYR 15 3.093 1.897 -7.714 130 HB2 TYR 15 HB2 TYR 15 2.701 1.389 -4.751 131 HB3 TYR 15 HB3 TYR 15 4.012 0.701 -5.711 132 HD1 TYR 15 HD2 TYR 15 5.509 2.391 -6.987 133 HD2 TYR 15 HD1 TYR 15 3.011 3.456 -3.713 134 HE1 TYR 15 HE2 TYR 15 6.832 4.432 -6.652 135 HE2 TYR 15 HE1 TYR 15 4.326 5.507 -3.371 136 HH TYR 15 HH TYR 15 6.610 6.629 -5.677 137 H ASN 16 H ASN 16 0.279 1.223 -8.098 138 HA ASN 16 HA ASN 16 -0.192 -1.428 -7.108 139 HB2 ASN 16 HB2 ASN 16 -1.979 0.310 -7.502 140 HB3 ASN 16 HB3 ASN 16 -1.769 0.036 -9.225 141 HD21 ASN 16 HD21 ASN 16 -2.696 -1.716 -10.161 142 HD22 ASN 16 HD22 ASN 16 -3.711 -2.833 -9.318 143 H GLU 17 H GLU 17 1.131 -2.936 -7.865 144 HA GLU 17 HA GLU 17 1.225 -3.288 -10.770 145 HB2 GLU 17 HB2 GLU 17 3.346 -3.576 -8.699 146 HB3 GLU 17 HB3 GLU 17 3.416 -4.618 -10.112 147 HG2 GLU 17 HG2 GLU 17 3.275 -1.615 -10.209 148 HG3 GLU 17 HG3 GLU 17 4.757 -2.562 -10.326 149 H GLY 18 H GLY 18 2.691 -5.870 -9.091 150 HA2 GLY 18 HA2 GLY 18 0.542 -7.558 -10.153 151 HA3 GLY 18 HA3 GLY 18 2.197 -8.065 -9.856 152 H GLY 19 H GLY 19 -0.913 -7.428 -8.444 153 HA2 GLY 19 HA2 GLY 19 -1.942 -8.325 -6.590 154 HA3 GLY 19 HA3 GLY 19 -0.542 -9.373 -6.385 155 H LYS 20 H LYS 20 -0.592 -9.030 -4.120 156 HA LYS 20 HA LYS 20 -0.012 -6.354 -3.168 157 HB2 LYS 20 HB2 LYS 20 -0.092 -7.223 -0.960 158 HB3 LYS 20 HB3 LYS 20 -1.393 -7.983 -1.854 159 HG2 LYS 20 HG2 LYS 20 -0.599 -10.027 -1.495 160 HG3 LYS 20 HG3 LYS 20 1.060 -9.547 -1.868 161 HD2 LYS 20 HD2 LYS 20 1.340 -8.646 0.352 162 HD3 LYS 20 HD3 LYS 20 -0.355 -8.958 0.725 163 HE2 LYS 20 HE2 LYS 20 1.217 -10.611 1.677 164 HE3 LYS 20 HE3 LYS 20 -0.023 -11.305 0.645 165 HZ1 LYS 20 HZ1 LYS 20 2.166 -12.280 0.248 166 HZ2 LYS 20 HZ2 LYS 20 2.783 -10.760 -0.178 167 HZ3 LYS 20 HZ3 LYS 20 1.589 -11.489 -1.135 168 H ARG 21 H ARG 21 1.701 -9.035 -4.320 169 HA ARG 21 HA ARG 21 4.136 -8.773 -2.919 170 HB2 ARG 21 HB2 ARG 21 3.183 -10.668 -4.456 171 HB3 ARG 21 HB3 ARG 21 3.971 -9.761 -5.736 172 HG2 ARG 21 HG2 ARG 21 6.109 -9.987 -4.602 173 HG3 ARG 21 HG3 ARG 21 5.327 -10.865 -3.286 174 HD2 ARG 21 HD2 ARG 21 5.638 -11.722 -6.157 175 HD3 ARG 21 HD3 ARG 21 6.325 -12.482 -4.722 176 HE ARG 21 HE ARG 21 3.413 -12.368 -4.922 177 HH11 ARG 21 HH11 ARG 21 6.329 -14.310 -5.157 178 HH12 ARG 21 HH12 ARG 21 5.467 -15.815 -5.165 179 HH21 ARG 21 HH21 ARG 21 2.294 -14.327 -4.959 180 HH22 ARG 21 HH22 ARG 21 3.172 -15.826 -5.054 181 H GLY 22 H GLY 22 3.087 -7.651 -6.128 182 HA2 GLY 22 HA2 GLY 22 5.336 -6.083 -6.741 183 HA3 GLY 22 HA3 GLY 22 3.734 -5.878 -7.423 184 H LEU 23 H LEU 23 2.445 -5.285 -4.878 185 HA LEU 23 HA LEU 23 2.867 -2.499 -4.683 186 HB2 LEU 23 HB2 LEU 23 1.184 -4.493 -3.353 187 HB3 LEU 23 HB3 LEU 23 1.655 -3.172 -2.303 188 HG LEU 23 HG LEU 23 -0.494 -2.710 -3.290 189 HD11 LEU 23 HD11 LEU 23 -0.041 -0.536 -4.324 190 HD12 LEU 23 HD12 LEU 23 1.659 -0.978 -4.490 191 HD13 LEU 23 HD13 LEU 23 0.946 -0.806 -2.887 192 HD21 LEU 23 HD21 LEU 23 -0.768 -2.412 -5.704 193 HD22 LEU 23 HD22 LEU 23 -0.333 -4.069 -5.284 194 HD23 LEU 23 HD23 LEU 23 0.883 -2.982 -5.956 195 H MET 24 H MET 24 3.800 -5.136 -2.479 196 HA MET 24 HA MET 24 4.904 -3.357 -0.550 197 HB2 MET 24 HB2 MET 24 5.170 -6.355 -0.826 198 HB3 MET 24 HB3 MET 24 5.716 -5.426 0.567 199 HG2 MET 24 HG2 MET 24 3.443 -4.718 1.022 200 HG3 MET 24 HG3 MET 24 2.872 -5.543 -0.421 201 HE1 MET 24 HE1 MET 24 3.771 -5.764 3.282 202 HE2 MET 24 HE2 MET 24 5.221 -6.578 2.696 203 HE3 MET 24 HE3 MET 24 3.995 -7.485 3.589 204 H GLU 25 H GLU 25 6.318 -5.258 -3.189 205 HA GLU 25 HA GLU 25 9.022 -4.731 -2.567 206 HB2 GLU 25 HB2 GLU 25 7.690 -5.329 -5.206 207 HB3 GLU 25 HB3 GLU 25 9.430 -5.210 -5.000 208 HG2 GLU 25 HG2 GLU 25 7.624 -7.188 -3.628 209 HG3 GLU 25 HG3 GLU 25 8.659 -7.520 -5.016 210 H ASN 26 H ASN 26 6.699 -2.965 -4.613 211 HA ASN 26 HA ASN 26 8.575 -1.049 -5.558 212 HB2 ASN 26 HB2 ASN 26 5.583 -1.149 -5.537 213 HB3 ASN 26 HB3 ASN 26 6.429 0.308 -6.041 214 HD21 ASN 26 HD21 ASN 26 4.712 -1.376 -7.558 215 HD22 ASN 26 HD22 ASN 26 5.634 -1.955 -8.902 216 H ILE 27 H ILE 27 6.295 -1.043 -2.865 217 HA ILE 27 HA ILE 27 6.609 1.693 -2.257 218 HB ILE 27 HB ILE 27 5.521 -0.622 -0.676 219 HG12 ILE 27 HG12 ILE 27 4.232 1.859 -1.837 220 HG13 ILE 27 HG13 ILE 27 4.241 0.279 -2.606 221 HG21 ILE 27 HG21 ILE 27 4.737 0.966 1.011 222 HG22 ILE 27 HG22 ILE 27 5.644 2.252 0.214 223 HG23 ILE 27 HG23 ILE 27 6.498 0.895 0.952 224 HD11 ILE 27 HD11 ILE 27 2.916 -0.621 -0.758 225 HD12 ILE 27 HD12 ILE 27 2.109 0.736 -1.543 226 HD13 ILE 27 HD13 ILE 27 2.912 0.966 0.011 227 H ASN 28 H ASN 28 8.250 -1.212 -0.941 228 HA ASN 28 HA ASN 28 9.787 0.273 0.948 229 HB2 ASN 28 HB2 ASN 28 9.995 -2.541 -0.068 230 HB3 ASN 28 HB3 ASN 28 11.276 -1.859 0.933 231 HD21 ASN 28 HD21 ASN 28 8.194 -3.274 0.865 232 HD22 ASN 28 HD22 ASN 28 7.848 -3.154 2.562 233 H ALA 29 H ALA 29 10.260 -0.439 -2.421 234 HA ALA 29 HA ALA 29 13.065 0.258 -2.417 235 HB1 ALA 29 HB1 ALA 29 11.173 -0.108 -4.738 236 HB2 ALA 29 HB2 ALA 29 12.193 -1.361 -4.027 237 HB3 ALA 29 HB3 ALA 29 12.928 0.024 -4.837 238 H ALA 30 H ALA 30 10.037 1.915 -2.870 239 HA ALA 30 HA ALA 30 11.391 4.285 -3.908 240 HB1 ALA 30 HB1 ALA 30 9.168 5.140 -4.401 241 HB2 ALA 30 HB2 ALA 30 8.446 3.734 -3.622 242 HB3 ALA 30 HB3 ALA 30 9.394 3.534 -5.094 243 H LEU 31 H LEU 31 10.902 3.092 -0.933 244 HA LEU 31 HA LEU 31 9.867 5.194 0.575 245 HB2 LEU 31 HB2 LEU 31 11.997 3.202 1.299 246 HB3 LEU 31 HB3 LEU 31 11.329 4.349 2.439 247 HG LEU 31 HG LEU 31 9.781 2.170 1.033 248 HD11 LEU 31 HD11 LEU 31 11.340 1.305 2.676 249 HD12 LEU 31 HD12 LEU 31 9.682 1.158 3.259 250 HD13 LEU 31 HD13 LEU 31 10.725 2.436 3.881 251 HD21 LEU 31 HD21 LEU 31 7.970 2.759 2.583 252 HD22 LEU 31 HD22 LEU 31 8.368 4.096 1.504 253 HD23 LEU 31 HD23 LEU 31 8.927 4.118 3.175 254 HA PRO 32 HA PRO 32 14.351 7.259 0.725 255 HB2 PRO 32 HB2 PRO 32 15.439 6.301 -1.862 256 HB3 PRO 32 HB3 PRO 32 16.264 6.585 -0.326 257 HG2 PRO 32 HG2 PRO 32 15.796 4.114 -1.146 258 HG3 PRO 32 HG3 PRO 32 15.583 4.547 0.562 259 HD2 PRO 32 HD2 PRO 32 13.513 4.215 -1.580 260 HD3 PRO 32 HD3 PRO 32 13.504 3.625 0.094 261 H PHE 33 H PHE 33 12.093 6.914 -1.759 262 HA PHE 33 HA PHE 33 12.717 9.540 -2.920 263 HB2 PHE 33 HB2 PHE 33 10.987 7.280 -3.987 264 HB3 PHE 33 HB3 PHE 33 11.283 8.806 -4.815 265 HD1 PHE 33 HD1 PHE 33 13.481 9.287 -5.782 266 HD2 PHE 33 HD2 PHE 33 12.661 5.525 -3.956 267 HE1 PHE 33 HE1 PHE 33 15.494 8.337 -6.833 268 HE2 PHE 33 HE2 PHE 33 14.669 4.574 -5.011 269 HZ PHE 33 HZ PHE 33 16.087 5.980 -6.449 270 H MET 34 H MET 34 9.706 9.150 -3.844 271 HA MET 34 HA MET 34 7.661 9.931 -3.320 272 HB2 MET 34 HB2 MET 34 8.335 9.023 -0.512 273 HB3 MET 34 HB3 MET 34 6.739 9.473 -1.077 274 HG2 MET 34 HG2 MET 34 6.659 7.582 -2.552 275 HG3 MET 34 HG3 MET 34 8.339 7.179 -2.190 276 HE1 MET 34 HE1 MET 34 6.435 4.236 -0.447 277 HE2 MET 34 HE2 MET 34 7.722 4.677 -1.570 278 HE3 MET 34 HE3 MET 34 6.040 5.008 -1.983 279 H ASP 35 H ASP 35 8.185 10.807 -0.064 280 HA ASP 35 HA ASP 35 9.506 13.283 -0.481 281 HB2 ASP 35 HB2 ASP 35 7.490 14.535 0.741 282 HB3 ASP 35 HB3 ASP 35 7.604 14.453 -1.005 283 H GLU 36 H GLU 36 7.154 12.010 1.841 284 HA GLU 36 HA GLU 36 8.822 11.039 3.825 285 HB2 GLU 36 HB2 GLU 36 9.576 13.426 4.023 286 HB3 GLU 36 HB3 GLU 36 7.931 13.862 4.460 287 HG2 GLU 36 HG2 GLU 36 8.087 12.421 6.433 288 HG3 GLU 36 HG3 GLU 36 9.745 12.015 5.991 289 H ASP 37 H ASP 37 5.958 12.961 3.151 290 HA ASP 37 HA ASP 37 4.241 11.938 5.162 291 HB2 ASP 37 HB2 ASP 37 3.770 14.037 3.939 292 HB3 ASP 37 HB3 ASP 37 3.554 13.116 2.450 293 H MET 38 H MET 38 4.566 11.211 1.707 294 HA MET 38 HA MET 38 2.847 8.984 1.650 295 HB2 MET 38 HB2 MET 38 4.971 10.077 -0.103 296 HB3 MET 38 HB3 MET 38 4.483 8.408 -0.365 297 HG2 MET 38 HG2 MET 38 2.174 9.130 -0.669 298 HG3 MET 38 HG3 MET 38 2.663 10.804 -0.404 299 HE1 MET 38 HE1 MET 38 4.119 8.273 -3.973 300 HE2 MET 38 HE2 MET 38 3.049 7.656 -2.710 301 HE3 MET 38 HE3 MET 38 4.717 8.075 -2.327 302 H ARG 39 H ARG 39 6.154 9.293 2.689 303 HA ARG 39 HA ARG 39 6.887 6.551 2.360 304 HB2 ARG 39 HB2 ARG 39 8.497 8.476 2.405 305 HB3 ARG 39 HB3 ARG 39 8.194 8.618 4.132 306 HG2 ARG 39 HG2 ARG 39 9.003 6.300 4.422 307 HG3 ARG 39 HG3 ARG 39 9.401 6.260 2.704 308 HD2 ARG 39 HD2 ARG 39 11.421 6.817 3.657 309 HD3 ARG 39 HD3 ARG 39 10.764 8.399 3.240 310 HE ARG 39 HE ARG 39 9.987 7.754 5.860 311 HH11 ARG 39 HH11 ARG 39 12.854 8.677 4.045 312 HH12 ARG 39 HH12 ARG 39 13.697 9.257 5.448 313 HH21 ARG 39 HH21 ARG 39 11.109 8.510 7.679 314 HH22 ARG 39 HH22 ARG 39 12.714 9.163 7.502 315 H GLU 40 H GLU 40 6.052 8.530 5.221 316 HA GLU 40 HA GLU 40 6.193 6.331 7.027 317 HB2 GLU 40 HB2 GLU 40 4.837 9.000 7.417 318 HB3 GLU 40 HB3 GLU 40 5.252 7.855 8.683 319 HG2 GLU 40 HG2 GLU 40 7.170 9.388 6.939 320 HG3 GLU 40 HG3 GLU 40 6.840 9.671 8.646 321 H LEU 41 H LEU 41 3.587 7.801 5.204 322 HA LEU 41 HA LEU 41 1.427 6.373 6.377 323 HB2 LEU 41 HB2 LEU 41 1.143 8.400 5.016 324 HB3 LEU 41 HB3 LEU 41 1.729 7.543 3.605 325 HG LEU 41 HG LEU 41 -0.254 6.004 3.842 326 HD11 LEU 41 HD11 LEU 41 -1.202 8.131 5.754 327 HD12 LEU 41 HD12 LEU 41 -0.817 6.460 6.163 328 HD13 LEU 41 HD13 LEU 41 -2.179 6.816 5.101 329 HD21 LEU 41 HD21 LEU 41 -1.793 7.584 2.792 330 HD22 LEU 41 HD22 LEU 41 -0.154 7.755 2.164 331 HD23 LEU 41 HD23 LEU 41 -0.779 8.926 3.326 332 H ALA 42 H ALA 42 3.704 5.676 3.807 333 HA ALA 42 HA ALA 42 2.432 3.420 2.703 334 HB1 ALA 42 HB1 ALA 42 4.555 2.948 1.659 335 HB2 ALA 42 HB2 ALA 42 5.366 4.071 2.750 336 HB3 ALA 42 HB3 ALA 42 4.203 4.674 1.570 337 H LYS 43 H LYS 43 4.586 3.818 5.420 338 HA LYS 43 HA LYS 43 5.140 1.066 5.849 339 HB2 LYS 43 HB2 LYS 43 5.232 3.423 7.735 340 HB3 LYS 43 HB3 LYS 43 5.902 1.832 8.075 341 HG2 LYS 43 HG2 LYS 43 7.521 2.048 6.357 342 HG3 LYS 43 HG3 LYS 43 6.744 3.502 5.725 343 HD2 LYS 43 HD2 LYS 43 7.289 4.675 7.817 344 HD3 LYS 43 HD3 LYS 43 8.102 3.224 8.405 345 HE2 LYS 43 HE2 LYS 43 8.859 4.719 5.898 346 HE3 LYS 43 HE3 LYS 43 9.647 4.919 7.462 347 HZ1 LYS 43 HZ1 LYS 43 10.863 3.401 6.022 348 HZ2 LYS 43 HZ2 LYS 43 9.511 2.384 5.921 349 HZ3 LYS 43 HZ3 LYS 43 10.296 2.600 7.406 350 H ARG 44 H ARG 44 2.570 3.234 6.914 351 HA ARG 44 HA ARG 44 1.311 1.414 8.706 352 HB2 ARG 44 HB2 ARG 44 0.277 3.826 7.227 353 HB3 ARG 44 HB3 ARG 44 -0.726 2.869 8.305 354 HG2 ARG 44 HG2 ARG 44 0.976 3.329 10.106 355 HG3 ARG 44 HG3 ARG 44 1.694 4.500 8.994 356 HD2 ARG 44 HD2 ARG 44 -0.345 5.758 8.907 357 HD3 ARG 44 HD3 ARG 44 -1.197 4.516 9.823 358 HE ARG 44 HE ARG 44 0.972 6.163 10.960 359 HH11 ARG 44 HH11 ARG 44 -2.137 4.556 11.260 360 HH12 ARG 44 HH12 ARG 44 -2.412 5.124 12.877 361 HH21 ARG 44 HH21 ARG 44 0.599 6.895 13.096 362 HH22 ARG 44 HH22 ARG 44 -0.866 6.443 13.918 363 H THR 45 H THR 45 0.965 2.085 5.261 364 HA THR 45 HA THR 45 -1.306 0.407 4.869 365 HB THR 45 HB THR 45 0.636 1.361 2.751 366 HG1 THR 45 HG1 THR 45 -1.311 2.705 4.250 367 HG21 THR 45 HG21 THR 45 -1.344 1.291 1.300 368 HG22 THR 45 HG22 THR 45 -2.310 0.691 2.647 369 HG23 THR 45 HG23 THR 45 -1.006 -0.297 1.989 370 H LEU 46 H LEU 46 2.205 -0.067 4.558 371 HA LEU 46 HA LEU 46 2.125 -2.678 3.470 372 HB2 LEU 46 HB2 LEU 46 4.196 -1.319 5.177 373 HB3 LEU 46 HB3 LEU 46 4.415 -2.910 4.476 374 HG LEU 46 HG LEU 46 3.974 -0.377 2.898 375 HD11 LEU 46 HD11 LEU 46 6.340 -0.620 2.325 376 HD12 LEU 46 HD12 LEU 46 6.463 -1.972 3.451 377 HD13 LEU 46 HD13 LEU 46 6.099 -0.353 4.053 378 HD21 LEU 46 HD21 LEU 46 4.617 -1.732 0.980 379 HD22 LEU 46 HD22 LEU 46 3.177 -2.393 1.758 380 HD23 LEU 46 HD23 LEU 46 4.747 -3.155 2.014 381 H ALA 47 H ALA 47 1.912 -1.484 6.759 382 HA ALA 47 HA ALA 47 2.033 -4.007 8.058 383 HB1 ALA 47 HB1 ALA 47 2.442 -1.901 9.229 384 HB2 ALA 47 HB2 ALA 47 1.150 -2.826 9.998 385 HB3 ALA 47 HB3 ALA 47 0.757 -1.440 8.982 386 H LYS 48 H LYS 48 -0.452 -2.387 6.290 387 HA LYS 48 HA LYS 48 -2.637 -3.900 7.403 388 HB2 LYS 48 HB2 LYS 48 -2.510 -2.232 4.885 389 HB3 LYS 48 HB3 LYS 48 -3.971 -2.905 5.584 390 HG2 LYS 48 HG2 LYS 48 -2.215 -0.918 6.994 391 HG3 LYS 48 HG3 LYS 48 -3.589 -0.469 5.987 392 HD2 LYS 48 HD2 LYS 48 -4.698 -0.521 7.955 393 HD3 LYS 48 HD3 LYS 48 -4.770 -2.252 7.628 394 HE2 LYS 48 HE2 LYS 48 -4.062 -1.832 9.921 395 HE3 LYS 48 HE3 LYS 48 -2.773 -2.599 8.996 396 HZ1 LYS 48 HZ1 LYS 48 -2.962 0.306 9.595 397 HZ2 LYS 48 HZ2 LYS 48 -1.712 -0.451 8.745 398 HZ3 LYS 48 HZ3 LYS 48 -1.947 -0.795 10.388 399 H ILE 49 H ILE 49 -0.559 -4.079 4.510 400 HA ILE 49 HA ILE 49 -2.213 -6.211 3.410 401 HB ILE 49 HB ILE 49 0.321 -5.394 2.049 402 HG12 ILE 49 HG12 ILE 49 -2.226 -3.837 1.662 403 HG13 ILE 49 HG13 ILE 49 -0.966 -3.288 2.768 404 HG21 ILE 49 HG21 ILE 49 -2.429 -6.169 1.114 405 HG22 ILE 49 HG22 ILE 49 -0.989 -7.190 1.128 406 HG23 ILE 49 HG23 ILE 49 -1.065 -5.789 0.060 407 HD11 ILE 49 HD11 ILE 49 0.622 -3.198 0.942 408 HD12 ILE 49 HD12 ILE 49 -0.801 -2.223 0.575 409 HD13 ILE 49 HD13 ILE 49 -0.599 -3.808 -0.174 410 H ALA 50 H ALA 50 0.692 -5.955 5.270 411 HA ALA 50 HA ALA 50 2.025 -8.286 4.620 412 HB1 ALA 50 HB1 ALA 50 1.739 -7.168 7.400 413 HB2 ALA 50 HB2 ALA 50 2.861 -6.584 6.174 414 HB3 ALA 50 HB3 ALA 50 3.026 -8.220 6.807 415 HA PRO 51 HA PRO 51 -0.734 -11.087 7.255 416 HB2 PRO 51 HB2 PRO 51 -3.123 -9.906 8.245 417 HB3 PRO 51 HB3 PRO 51 -1.739 -10.479 9.173 418 HG2 PRO 51 HG2 PRO 51 -2.547 -7.828 8.897 419 HG3 PRO 51 HG3 PRO 51 -0.972 -8.380 9.490 420 HD2 PRO 51 HD2 PRO 51 -1.737 -7.333 6.820 421 HD3 PRO 51 HD3 PRO 51 -0.196 -7.205 7.691 422 H LEU 52 H LEU 52 -1.800 -9.064 4.826 423 HA LEU 52 HA LEU 52 -4.238 -10.529 4.208 424 HB2 LEU 52 HB2 LEU 52 -2.773 -8.412 2.627 425 HB3 LEU 52 HB3 LEU 52 -4.288 -9.143 2.152 426 HG LEU 52 HG LEU 52 -3.841 -7.373 4.550 427 HD11 LEU 52 HD11 LEU 52 -5.245 -5.800 3.318 428 HD12 LEU 52 HD12 LEU 52 -5.314 -6.924 1.958 429 HD13 LEU 52 HD13 LEU 52 -3.778 -6.195 2.423 430 HD21 LEU 52 HD21 LEU 52 -6.376 -8.637 3.515 431 HD22 LEU 52 HD22 LEU 52 -6.270 -7.456 4.821 432 HD23 LEU 52 HD23 LEU 52 -5.545 -9.052 5.014 433 H THR 53 H THR 53 -4.507 -11.713 2.273 434 HA THR 53 HA THR 53 -2.036 -12.736 1.072 435 HB THR 53 HB THR 53 -3.529 -14.473 1.874 436 HG1 THR 53 HG1 THR 53 -3.374 -15.695 0.129 437 HG21 THR 53 HG21 THR 53 -5.660 -13.318 1.838 438 HG22 THR 53 HG22 THR 53 -5.777 -14.830 0.934 439 HG23 THR 53 HG23 THR 53 -5.644 -13.294 0.073 440 H GLU 54 H GLU 54 -2.019 -12.922 -1.354 441 HA GLU 54 HA GLU 54 -3.109 -10.459 -2.473 442 HB2 GLU 54 HB2 GLU 54 -1.731 -11.148 -4.522 443 HB3 GLU 54 HB3 GLU 54 -0.885 -10.606 -3.086 444 HG2 GLU 54 HG2 GLU 54 -0.657 -13.080 -2.516 445 HG3 GLU 54 HG3 GLU 54 -1.122 -13.369 -4.195 446 H ASN 55 H ASN 55 -3.999 -13.651 -2.244 447 HA ASN 55 HA ASN 55 -5.643 -13.874 -4.541 448 HB2 ASN 55 HB2 ASN 55 -5.071 -15.778 -3.049 449 HB3 ASN 55 HB3 ASN 55 -6.011 -15.039 -1.760 450 HD21 ASN 55 HD21 ASN 55 -6.157 -16.632 -4.865 451 HD22 ASN 55 HD22 ASN 55 -7.828 -17.072 -4.771 452 H GLU 56 H GLU 56 -6.197 -12.629 -1.254 453 HA GLU 56 HA GLU 56 -8.851 -11.712 -1.812 454 HB2 GLU 56 HB2 GLU 56 -7.983 -12.394 0.462 455 HB3 GLU 56 HB3 GLU 56 -7.077 -10.883 0.491 456 HG2 GLU 56 HG2 GLU 56 -9.213 -9.664 0.215 457 HG3 GLU 56 HG3 GLU 56 -10.065 -11.201 0.336 458 H TYR 57 H TYR 57 -5.625 -10.281 -1.826 459 HA TYR 57 HA TYR 57 -6.456 -7.580 -2.021 460 HB2 TYR 57 HB2 TYR 57 -4.145 -8.290 -1.330 461 HB3 TYR 57 HB3 TYR 57 -3.821 -8.733 -3.004 462 HD1 TYR 57 HD1 TYR 57 -4.423 -5.898 -0.707 463 HD2 TYR 57 HD2 TYR 57 -3.374 -7.054 -4.668 464 HE1 TYR 57 HE1 TYR 57 -3.813 -3.572 -1.228 465 HE2 TYR 57 HE2 TYR 57 -2.748 -4.741 -5.188 466 HH TYR 57 HH TYR 57 -3.251 -2.492 -4.415 467 H ALA 58 H ALA 58 -6.177 -10.130 -4.417 468 HA ALA 58 HA ALA 58 -6.269 -8.458 -6.715 469 HB1 ALA 58 HB1 ALA 58 -7.261 -11.284 -6.393 470 HB2 ALA 58 HB2 ALA 58 -5.616 -10.815 -6.827 471 HB3 ALA 58 HB3 ALA 58 -6.955 -10.457 -7.919 472 H GLU 59 H GLU 59 -8.763 -9.875 -4.648 473 HA GLU 59 HA GLU 59 -10.952 -8.908 -6.238 474 HB2 GLU 59 HB2 GLU 59 -10.810 -10.189 -3.518 475 HB3 GLU 59 HB3 GLU 59 -12.320 -9.707 -4.280 476 HG2 GLU 59 HG2 GLU 59 -11.959 -11.232 -6.091 477 HG3 GLU 59 HG3 GLU 59 -10.350 -11.627 -5.486 478 H LEU 60 H LEU 60 -9.045 -7.629 -3.650 479 HA LEU 60 HA LEU 60 -10.892 -5.499 -3.006 480 HB2 LEU 60 HB2 LEU 60 -7.974 -5.855 -2.296 481 HB3 LEU 60 HB3 LEU 60 -9.021 -4.607 -1.654 482 HG LEU 60 HG LEU 60 -9.448 -7.566 -1.213 483 HD11 LEU 60 HD11 LEU 60 -7.369 -6.806 -0.170 484 HD12 LEU 60 HD12 LEU 60 -8.601 -7.177 1.037 485 HD13 LEU 60 HD13 LEU 60 -8.247 -5.499 0.625 486 HD21 LEU 60 HD21 LEU 60 -11.481 -6.227 -1.065 487 HD22 LEU 60 HD22 LEU 60 -10.689 -5.138 0.076 488 HD23 LEU 60 HD23 LEU 60 -10.992 -6.818 0.523 489 H ALA 61 H ALA 61 -7.561 -5.477 -4.154 490 HA ALA 61 HA ALA 61 -6.327 -4.153 -5.473 491 HB1 ALA 61 HB1 ALA 61 -8.825 -4.090 -7.167 492 HB2 ALA 61 HB2 ALA 61 -7.613 -5.371 -7.172 493 HB3 ALA 61 HB3 ALA 61 -7.182 -3.748 -7.708 494 H ILE 62 H ILE 62 -8.120 -2.077 -7.157 495 HA ILE 62 HA ILE 62 -7.880 0.024 -5.145 496 HB ILE 62 HB ILE 62 -8.303 0.300 -8.135 497 HG12 ILE 62 HG12 ILE 62 -6.116 -0.644 -7.758 498 HG13 ILE 62 HG13 ILE 62 -5.920 1.052 -8.173 499 HG21 ILE 62 HG21 ILE 62 -7.702 2.646 -7.818 500 HG22 ILE 62 HG22 ILE 62 -7.601 2.386 -6.078 501 HG23 ILE 62 HG23 ILE 62 -9.150 2.221 -6.906 502 HD11 ILE 62 HD11 ILE 62 -5.754 -0.123 -5.401 503 HD12 ILE 62 HD12 ILE 62 -5.560 1.582 -5.807 504 HD13 ILE 62 HD13 ILE 62 -4.394 0.397 -6.398 505 H PHE 63 H PHE 63 -9.667 -0.208 -3.941 506 HA PHE 63 HA PHE 63 -12.266 -0.353 -5.293 507 HB2 PHE 63 HB2 PHE 63 -13.148 -1.222 -3.143 508 HB3 PHE 63 HB3 PHE 63 -11.884 -2.233 -3.824 509 HD1 PHE 63 HD2 PHE 63 -9.674 -2.355 -2.741 510 HD2 PHE 63 HD1 PHE 63 -12.869 -0.110 -1.036 511 HE1 PHE 63 HE2 PHE 63 -8.491 -2.307 -0.586 512 HE2 PHE 63 HE1 PHE 63 -11.686 -0.066 1.116 513 HZ PHE 63 HZ PHE 63 -9.498 -1.162 1.345 514 H ALA 64 H ALA 64 -10.277 1.806 -3.808 515 HA ALA 64 HA ALA 64 -12.468 3.704 -3.388 516 HB1 ALA 64 HB1 ALA 64 -11.857 2.872 -1.154 517 HB2 ALA 64 HB2 ALA 64 -11.393 4.562 -1.344 518 HB3 ALA 64 HB3 ALA 64 -10.170 3.296 -1.453 519 H ALA 65 H ALA 65 -11.034 5.914 -2.777 520 HA ALA 65 HA ALA 65 -9.887 7.649 -3.645 521 HB1 ALA 65 HB1 ALA 65 -8.089 5.624 -4.979 522 HB2 ALA 65 HB2 ALA 65 -7.877 6.268 -3.350 523 HB3 ALA 65 HB3 ALA 65 -7.751 7.339 -4.744 524 H ASP 66 H ASP 66 -12.043 6.130 -5.133 525 HA ASP 66 HA ASP 66 -11.593 7.026 -7.869 526 HB2 ASP 66 HB2 ASP 66 -13.758 5.931 -8.351 527 HB3 ASP 66 HB3 ASP 66 -12.622 4.831 -7.581 528 H GLU 67 H GLU 67 -12.884 8.195 -4.996 529 HA GLU 67 HA GLU 67 -14.846 9.947 -6.233 530 HB2 GLU 67 HB2 GLU 67 -15.437 10.565 -3.954 531 HB3 GLU 67 HB3 GLU 67 -15.366 8.814 -4.110 532 HG2 GLU 67 HG2 GLU 67 -13.118 8.853 -3.092 533 HG3 GLU 67 HG3 GLU 67 -13.294 10.591 -2.839 534 H VAL 68 H VAL 68 -11.539 10.035 -5.497 535 HA VAL 68 HA VAL 68 -11.468 12.881 -4.893 536 HB VAL 68 HB VAL 68 -9.095 12.627 -4.476 537 HG11 VAL 68 HG11 VAL 68 -9.164 11.016 -2.627 538 HG12 VAL 68 HG12 VAL 68 -10.685 10.377 -3.254 539 HG13 VAL 68 HG13 VAL 68 -10.597 12.043 -2.676 540 HG21 VAL 68 HG21 VAL 68 -7.951 10.450 -4.645 541 HG22 VAL 68 HG22 VAL 68 -8.473 11.058 -6.218 542 HG23 VAL 68 HG23 VAL 68 -9.385 9.775 -5.424 543 H LEU 69 H LEU 69 -11.622 11.068 -7.626 544 HA LEU 69 HA LEU 69 -9.664 12.253 -9.300 545 HB2 LEU 69 HB2 LEU 69 -12.240 10.865 -10.053 546 HB3 LEU 69 HB3 LEU 69 -10.920 11.229 -11.145 547 HG LEU 69 HG LEU 69 -10.752 9.334 -8.796 548 HD11 LEU 69 HD11 LEU 69 -10.660 7.579 -10.502 549 HD12 LEU 69 HD12 LEU 69 -10.948 8.786 -11.756 550 HD13 LEU 69 HD13 LEU 69 -12.189 8.455 -10.546 551 HD21 LEU 69 HD21 LEU 69 -8.774 9.927 -10.999 552 HD22 LEU 69 HD22 LEU 69 -8.597 8.668 -9.776 553 HD23 LEU 69 HD23 LEU 69 -8.600 10.368 -9.302 554 H GLU 70 H GLU 70 -9.601 14.218 -9.933 555 HA GLU 70 HA GLU 70 -10.052 16.193 -10.907 556 HB2 GLU 70 HB2 GLU 70 -12.847 15.150 -11.329 557 HB3 GLU 70 HB3 GLU 70 -12.238 16.673 -11.967 558 HG2 GLU 70 HG2 GLU 70 -10.581 15.468 -13.281 559 HG3 GLU 70 HG3 GLU 70 -11.149 13.940 -12.607 560 H HIS 71 H HIS 71 -11.637 15.214 -8.068 561 HA HIS 71 HA HIS 71 -13.001 17.667 -7.510 562 HB2 HIS 71 HB2 HIS 71 -13.492 15.379 -6.453 563 HB3 HIS 71 HB3 HIS 71 -12.101 15.676 -5.416 564 HD1 HIS 71 HD1 HIS 71 -12.952 16.360 -3.185 565 HD2 HIS 71 HD2 HIS 71 -15.181 18.040 -6.264 566 HE1 HIS 71 HE1 HIS 71 -14.618 17.867 -2.068 567 HE2 HIS 71 HE2 HIS 71 -16.091 18.692 -3.937 568 H HIS 72 H HIS 72 -9.839 16.347 -6.700 569 HA HIS 72 HA HIS 72 -9.026 19.129 -6.273 570 HB2 HIS 72 HB2 HIS 72 -7.228 18.448 -4.778 571 HB3 HIS 72 HB3 HIS 72 -8.764 17.875 -4.157 572 HD1 HIS 72 HD1 HIS 72 -5.396 16.793 -5.017 573 HD2 HIS 72 HD2 HIS 72 -9.088 14.971 -4.475 574 HE1 HIS 72 HE1 HIS 72 -4.903 14.350 -4.753 575 HE2 HIS 72 HE2 HIS 72 -7.123 13.335 -4.123 576 H HIS 73 H HIS 73 -7.735 19.895 -7.777 577 HA HIS 73 HA HIS 73 -6.562 18.031 -9.686 578 HB2 HIS 73 HB2 HIS 73 -7.135 20.983 -9.787 579 HB3 HIS 73 HB3 HIS 73 -6.076 20.214 -10.966 580 HD1 HIS 73 HD1 HIS 73 -9.435 21.252 -10.640 581 HD2 HIS 73 HD2 HIS 73 -7.609 17.828 -12.143 582 HE1 HIS 73 HE1 HIS 73 -11.113 20.202 -12.183 583 HE2 HIS 73 HE2 HIS 73 -9.910 18.256 -13.239 584 H HIS 74 H HIS 74 -4.543 17.450 -9.514 585 HA HIS 74 HA HIS 74 -2.567 19.344 -8.481 586 HB2 HIS 74 HB2 HIS 74 -3.409 17.784 -6.631 587 HB3 HIS 74 HB3 HIS 74 -2.651 16.469 -7.529 588 HD1 HIS 74 HD1 HIS 74 -1.662 19.799 -5.954 589 HD2 HIS 74 HD2 HIS 74 -0.036 16.088 -6.880 590 HE1 HIS 74 HE1 HIS 74 0.673 19.835 -5.026 591 HE2 HIS 74 HE2 HIS 74 1.627 17.563 -5.580 592 H HIS 75 H HIS 75 -0.819 19.387 -9.710 593 HA HIS 75 HA HIS 75 -0.636 17.623 -11.954 594 HB2 HIS 75 HB2 HIS 75 1.407 18.896 -12.575 595 HB3 HIS 75 HB3 HIS 75 -0.007 19.900 -12.350 596 HD1 HIS 75 HD1 HIS 75 0.354 21.947 -11.008 597 HD2 HIS 75 HD2 HIS 75 3.243 19.065 -10.217 598 HE1 HIS 75 HE1 HIS 75 2.035 23.059 -9.506 599 HE2 HIS 75 HE2 HIS 75 3.832 21.329 -9.137 600 H HIS 76 H HIS 76 1.005 16.206 -12.498 601 HA HIS 76 HA HIS 76 2.169 14.889 -10.147 602 HB2 HIS 76 HB2 HIS 76 1.532 13.855 -12.909 603 HB3 HIS 76 HB3 HIS 76 2.401 12.915 -11.703 604 HD1 HIS 76 HD1 HIS 76 -0.953 13.701 -12.880 605 HD2 HIS 76 HD2 HIS 76 0.757 12.397 -9.321 606 HE1 HIS 76 HE1 HIS 76 -2.843 12.751 -11.528 607 HE2 HIS 76 HE2 HIS 76 -1.753 11.802 -9.461 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -10.002 -9.205 3.487 2 H2 MET 1 H2 MET 1 -11.117 -9.849 2.388 3 H3 MET 1 H3 MET 1 -11.468 -9.837 4.049 4 HA MET 1 HA MET 1 -11.191 -7.469 2.295 5 HB2 MET 1 HB2 MET 1 -13.269 -8.619 1.901 6 HB3 MET 1 HB3 MET 1 -13.565 -8.791 3.621 7 HG2 MET 1 HG2 MET 1 -14.993 -7.096 2.744 8 HG3 MET 1 HG3 MET 1 -13.809 -6.338 3.789 9 HE1 MET 1 HE1 MET 1 -13.416 -7.626 0.084 10 HE2 MET 1 HE2 MET 1 -13.743 -6.147 -0.821 11 HE3 MET 1 HE3 MET 1 -15.031 -6.916 0.107 12 H ILE 2 H ILE 2 -10.194 -5.923 3.383 13 HA ILE 2 HA ILE 2 -11.165 -5.284 6.086 14 HB ILE 2 HB ILE 2 -8.960 -4.316 6.661 15 HG12 ILE 2 HG12 ILE 2 -7.770 -5.848 4.360 16 HG13 ILE 2 HG13 ILE 2 -8.276 -4.172 4.174 17 HG21 ILE 2 HG21 ILE 2 -9.500 -6.497 7.530 18 HG22 ILE 2 HG22 ILE 2 -7.786 -6.436 7.117 19 HG23 ILE 2 HG23 ILE 2 -8.918 -7.266 6.052 20 HD11 ILE 2 HD11 ILE 2 -6.744 -3.523 5.952 21 HD12 ILE 2 HD12 ILE 2 -5.907 -4.339 4.629 22 HD13 ILE 2 HD13 ILE 2 -6.245 -5.205 6.128 23 H ARG 3 H ARG 3 -10.243 -2.867 6.540 24 HA ARG 3 HA ARG 3 -10.937 -1.311 4.148 25 HB2 ARG 3 HB2 ARG 3 -11.475 -0.656 7.041 26 HB3 ARG 3 HB3 ARG 3 -11.785 0.429 5.690 27 HG2 ARG 3 HG2 ARG 3 -13.399 -1.134 4.770 28 HG3 ARG 3 HG3 ARG 3 -13.047 -2.282 6.065 29 HD2 ARG 3 HD2 ARG 3 -13.806 -0.590 7.700 30 HD3 ARG 3 HD3 ARG 3 -14.263 0.456 6.354 31 HE ARG 3 HE ARG 3 -15.583 -1.834 5.802 32 HH11 ARG 3 HH11 ARG 3 -15.416 0.121 8.707 33 HH12 ARG 3 HH12 ARG 3 -17.020 -0.286 9.226 34 HH21 ARG 3 HH21 ARG 3 -17.672 -2.378 6.489 35 HH22 ARG 3 HH22 ARG 3 -18.303 -1.725 7.968 36 H LEU 4 H LEU 4 -9.216 -0.477 3.325 37 HA LEU 4 HA LEU 4 -7.209 0.826 5.010 38 HB2 LEU 4 HB2 LEU 4 -7.357 0.637 1.987 39 HB3 LEU 4 HB3 LEU 4 -6.036 1.324 2.903 40 HG LEU 4 HG LEU 4 -5.955 -1.123 3.932 41 HD11 LEU 4 HD11 LEU 4 -7.883 -1.938 2.679 42 HD12 LEU 4 HD12 LEU 4 -6.409 -2.800 2.233 43 HD13 LEU 4 HD13 LEU 4 -7.060 -1.554 1.167 44 HD21 LEU 4 HD21 LEU 4 -4.838 -0.358 1.246 45 HD22 LEU 4 HD22 LEU 4 -4.237 -1.645 2.294 46 HD23 LEU 4 HD23 LEU 4 -4.137 0.036 2.817 47 H THR 5 H THR 5 -6.810 3.135 4.756 48 HA THR 5 HA THR 5 -9.272 4.588 4.360 49 HB THR 5 HB THR 5 -7.539 5.130 6.170 50 HG1 THR 5 HG1 THR 5 -8.128 7.294 6.097 51 HG21 THR 5 HG21 THR 5 -6.189 6.536 3.864 52 HG22 THR 5 HG22 THR 5 -5.530 5.183 4.784 53 HG23 THR 5 HG23 THR 5 -5.788 6.743 5.570 54 H ILE 6 H ILE 6 -9.002 6.776 3.063 55 HA ILE 6 HA ILE 6 -9.148 5.937 0.393 56 HB ILE 6 HB ILE 6 -8.884 8.844 1.154 57 HG12 ILE 6 HG12 ILE 6 -10.435 7.809 2.779 58 HG13 ILE 6 HG13 ILE 6 -11.264 8.921 1.698 59 HG21 ILE 6 HG21 ILE 6 -10.538 7.422 -0.930 60 HG22 ILE 6 HG22 ILE 6 -9.064 8.347 -1.216 61 HG23 ILE 6 HG23 ILE 6 -10.518 9.163 -0.644 62 HD11 ILE 6 HD11 ILE 6 -12.050 6.973 0.386 63 HD12 ILE 6 HD12 ILE 6 -12.628 6.986 2.055 64 HD13 ILE 6 HD13 ILE 6 -11.305 5.915 1.586 65 H GLU 7 H GLU 7 -6.575 7.663 2.099 66 HA GLU 7 HA GLU 7 -4.948 8.087 -0.209 67 HB2 GLU 7 HB2 GLU 7 -4.748 8.603 2.649 68 HB3 GLU 7 HB3 GLU 7 -3.217 8.125 1.933 69 HG2 GLU 7 HG2 GLU 7 -3.350 10.494 1.877 70 HG3 GLU 7 HG3 GLU 7 -3.519 9.896 0.226 71 H GLU 8 H GLU 8 -5.336 5.356 1.935 72 HA GLU 8 HA GLU 8 -2.814 4.132 1.317 73 HB2 GLU 8 HB2 GLU 8 -5.300 3.017 2.590 74 HB3 GLU 8 HB3 GLU 8 -3.798 2.122 2.396 75 HG2 GLU 8 HG2 GLU 8 -2.650 3.824 3.751 76 HG3 GLU 8 HG3 GLU 8 -4.200 4.630 4.002 77 H THR 9 H THR 9 -6.140 3.784 0.162 78 HA THR 9 HA THR 9 -5.523 1.769 -1.771 79 HB THR 9 HB THR 9 -7.777 2.782 -2.771 80 HG1 THR 9 HG1 THR 9 -8.272 4.437 -1.523 81 HG21 THR 9 HG21 THR 9 -7.605 1.152 -0.235 82 HG22 THR 9 HG22 THR 9 -7.509 0.527 -1.880 83 HG23 THR 9 HG23 THR 9 -9.009 1.252 -1.301 84 H ASN 10 H ASN 10 -5.505 5.273 -1.787 85 HA ASN 10 HA ASN 10 -5.081 5.741 -4.532 86 HB2 ASN 10 HB2 ASN 10 -5.542 7.601 -3.118 87 HB3 ASN 10 HB3 ASN 10 -4.222 7.196 -2.031 88 HD21 ASN 10 HD21 ASN 10 -5.082 8.634 -5.079 89 HD22 ASN 10 HD22 ASN 10 -3.571 9.435 -5.347 90 H LEU 11 H LEU 11 -2.834 5.118 -1.889 91 HA LEU 11 HA LEU 11 -0.429 5.263 -3.334 92 HB2 LEU 11 HB2 LEU 11 -0.546 5.468 -0.935 93 HB3 LEU 11 HB3 LEU 11 -1.184 3.844 -0.790 94 HG LEU 11 HG LEU 11 0.996 2.999 -1.692 95 HD11 LEU 11 HD11 LEU 11 2.921 4.476 -1.570 96 HD12 LEU 11 HD12 LEU 11 1.866 5.837 -1.186 97 HD13 LEU 11 HD13 LEU 11 1.758 5.056 -2.764 98 HD21 LEU 11 HD21 LEU 11 1.037 4.599 0.843 99 HD22 LEU 11 HD22 LEU 11 2.129 3.278 0.426 100 HD23 LEU 11 HD23 LEU 11 0.408 2.961 0.651 101 H LEU 12 H LEU 12 -2.664 2.620 -2.699 102 HA LEU 12 HA LEU 12 -1.195 0.459 -3.673 103 HB2 LEU 12 HB2 LEU 12 -4.160 0.967 -3.754 104 HB3 LEU 12 HB3 LEU 12 -3.417 -0.562 -4.176 105 HG LEU 12 HG LEU 12 -3.355 0.754 -1.463 106 HD11 LEU 12 HD11 LEU 12 -4.791 -1.703 -2.463 107 HD12 LEU 12 HD12 LEU 12 -5.535 -0.164 -2.030 108 HD13 LEU 12 HD13 LEU 12 -4.749 -1.141 -0.791 109 HD21 LEU 12 HD21 LEU 12 -2.301 -1.314 -0.718 110 HD22 LEU 12 HD22 LEU 12 -1.310 -0.470 -1.909 111 HD23 LEU 12 HD23 LEU 12 -2.247 -1.887 -2.386 112 H SER 13 H SER 13 -3.367 2.680 -5.418 113 HA SER 13 HA SER 13 -2.983 1.350 -7.910 114 HB2 SER 13 HB2 SER 13 -4.176 3.331 -8.881 115 HB3 SER 13 HB3 SER 13 -5.051 2.488 -7.608 116 HG SER 13 HG SER 13 -3.612 4.389 -6.452 117 H ILE 14 H ILE 14 -1.179 3.863 -6.268 118 HA ILE 14 HA ILE 14 0.218 4.944 -8.468 119 HB ILE 14 HB ILE 14 1.069 4.674 -5.578 120 HG12 ILE 14 HG12 ILE 14 -0.069 7.043 -7.076 121 HG13 ILE 14 HG13 ILE 14 -0.979 6.011 -5.982 122 HG21 ILE 14 HG21 ILE 14 2.282 6.413 -7.733 123 HG22 ILE 14 HG22 ILE 14 3.036 4.996 -6.998 124 HG23 ILE 14 HG23 ILE 14 2.709 6.429 -6.019 125 HD11 ILE 14 HD11 ILE 14 0.456 6.721 -4.134 126 HD12 ILE 14 HD12 ILE 14 -0.359 8.082 -4.906 127 HD13 ILE 14 HD13 ILE 14 1.344 7.772 -5.239 128 H TYR 15 H TYR 15 1.074 2.246 -6.266 129 HA TYR 15 HA TYR 15 3.336 1.623 -8.046 130 HB2 TYR 15 HB2 TYR 15 2.863 0.890 -5.154 131 HB3 TYR 15 HB3 TYR 15 4.250 0.360 -6.100 132 HD1 TYR 15 HD2 TYR 15 5.577 2.379 -7.265 133 HD2 TYR 15 HD1 TYR 15 3.121 2.724 -3.813 134 HE1 TYR 15 HE2 TYR 15 6.785 4.422 -6.621 135 HE2 TYR 15 HE1 TYR 15 4.316 4.767 -3.162 136 HH TYR 15 HH TYR 15 6.310 6.482 -5.224 137 H ASN 16 H ASN 16 0.599 0.798 -8.605 138 HA ASN 16 HA ASN 16 0.403 -2.001 -7.902 139 HB2 ASN 16 HB2 ASN 16 -1.571 -0.423 -8.034 140 HB3 ASN 16 HB3 ASN 16 -1.371 -0.433 -9.782 141 HD21 ASN 16 HD21 ASN 16 -2.262 -2.304 -6.988 142 HD22 ASN 16 HD22 ASN 16 -3.072 -3.560 -7.854 143 H GLU 17 H GLU 17 1.925 -3.197 -8.929 144 HA GLU 17 HA GLU 17 1.660 -3.289 -11.847 145 HB2 GLU 17 HB2 GLU 17 3.986 -4.136 -11.969 146 HB3 GLU 17 HB3 GLU 17 3.879 -2.500 -11.341 147 HG2 GLU 17 HG2 GLU 17 4.387 -3.179 -9.163 148 HG3 GLU 17 HG3 GLU 17 4.066 -4.876 -9.522 149 H GLY 18 H GLY 18 1.617 -5.092 -8.886 150 HA2 GLY 18 HA2 GLY 18 0.583 -7.410 -10.180 151 HA3 GLY 18 HA3 GLY 18 2.253 -7.637 -9.680 152 H GLY 19 H GLY 19 -0.846 -6.469 -8.441 153 HA2 GLY 19 HA2 GLY 19 -1.968 -6.970 -6.493 154 HA3 GLY 19 HA3 GLY 19 -0.821 -8.273 -6.231 155 H LYS 20 H LYS 20 -0.640 -7.877 -4.066 156 HA LYS 20 HA LYS 20 0.350 -5.274 -3.193 157 HB2 LYS 20 HB2 LYS 20 -0.013 -6.054 -0.939 158 HB3 LYS 20 HB3 LYS 20 -1.420 -6.433 -1.908 159 HG2 LYS 20 HG2 LYS 20 -1.287 -8.429 -0.932 160 HG3 LYS 20 HG3 LYS 20 -0.025 -8.742 -2.125 161 HD2 LYS 20 HD2 LYS 20 1.571 -7.719 -0.374 162 HD3 LYS 20 HD3 LYS 20 0.249 -7.991 0.765 163 HE2 LYS 20 HE2 LYS 20 1.768 -9.859 0.816 164 HE3 LYS 20 HE3 LYS 20 0.225 -10.363 0.127 165 HZ1 LYS 20 HZ1 LYS 20 2.087 -11.251 -1.125 166 HZ2 LYS 20 HZ2 LYS 20 2.667 -9.688 -1.416 167 HZ3 LYS 20 HZ3 LYS 20 1.189 -10.174 -2.081 168 H ARG 21 H ARG 21 1.528 -8.236 -4.219 169 HA ARG 21 HA ARG 21 3.981 -8.478 -2.852 170 HB2 ARG 21 HB2 ARG 21 2.742 -10.089 -4.441 171 HB3 ARG 21 HB3 ARG 21 3.508 -9.190 -5.736 172 HG2 ARG 21 HG2 ARG 21 5.716 -9.763 -4.712 173 HG3 ARG 21 HG3 ARG 21 4.845 -10.835 -3.608 174 HD2 ARG 21 HD2 ARG 21 3.804 -11.852 -5.704 175 HD3 ARG 21 HD3 ARG 21 5.052 -10.994 -6.602 176 HE ARG 21 HE ARG 21 5.453 -13.199 -4.708 177 HH11 ARG 21 HH11 ARG 21 6.810 -11.005 -7.097 178 HH12 ARG 21 HH12 ARG 21 8.202 -11.999 -7.396 179 HH21 ARG 21 HH21 ARG 21 7.293 -14.486 -5.103 180 HH22 ARG 21 HH22 ARG 21 8.478 -13.966 -6.260 181 H GLY 22 H GLY 22 3.199 -7.114 -6.035 182 HA2 GLY 22 HA2 GLY 22 5.643 -5.753 -6.433 183 HA3 GLY 22 HA3 GLY 22 4.140 -5.439 -7.280 184 H LEU 23 H LEU 23 2.658 -4.812 -4.805 185 HA LEU 23 HA LEU 23 3.175 -2.055 -4.527 186 HB2 LEU 23 HB2 LEU 23 1.319 -3.962 -3.402 187 HB3 LEU 23 HB3 LEU 23 1.893 -2.860 -2.170 188 HG LEU 23 HG LEU 23 -0.161 -2.020 -3.059 189 HD11 LEU 23 HD11 LEU 23 1.508 -0.351 -2.494 190 HD12 LEU 23 HD12 LEU 23 0.514 0.187 -3.848 191 HD13 LEU 23 HD13 LEU 23 2.146 -0.416 -4.136 192 HD21 LEU 23 HD21 LEU 23 1.147 -2.153 -5.761 193 HD22 LEU 23 HD22 LEU 23 -0.422 -1.425 -5.412 194 HD23 LEU 23 HD23 LEU 23 -0.183 -3.159 -5.184 195 H MET 24 H MET 24 4.035 -4.791 -2.413 196 HA MET 24 HA MET 24 5.179 -3.282 -0.322 197 HB2 MET 24 HB2 MET 24 5.425 -6.144 -1.168 198 HB3 MET 24 HB3 MET 24 6.407 -5.511 0.146 199 HG2 MET 24 HG2 MET 24 4.407 -4.874 1.358 200 HG3 MET 24 HG3 MET 24 3.407 -5.454 0.027 201 HE1 MET 24 HE1 MET 24 2.129 -6.714 2.093 202 HE2 MET 24 HE2 MET 24 3.378 -6.230 3.241 203 HE3 MET 24 HE3 MET 24 2.911 -7.926 3.108 204 H GLU 25 H GLU 25 6.640 -4.796 -3.170 205 HA GLU 25 HA GLU 25 9.320 -4.202 -2.388 206 HB2 GLU 25 HB2 GLU 25 8.176 -5.072 -5.043 207 HB3 GLU 25 HB3 GLU 25 9.893 -4.995 -4.664 208 HG2 GLU 25 HG2 GLU 25 9.576 -6.643 -2.891 209 HG3 GLU 25 HG3 GLU 25 7.859 -6.713 -3.265 210 H ASN 26 H ASN 26 6.970 -2.622 -4.527 211 HA ASN 26 HA ASN 26 8.826 -0.662 -5.488 212 HB2 ASN 26 HB2 ASN 26 5.825 -0.790 -5.578 213 HB3 ASN 26 HB3 ASN 26 6.729 0.586 -6.193 214 HD21 ASN 26 HD21 ASN 26 5.007 -1.141 -7.647 215 HD22 ASN 26 HD22 ASN 26 5.965 -1.910 -8.871 216 H ILE 27 H ILE 27 6.551 -0.804 -2.807 217 HA ILE 27 HA ILE 27 6.768 1.910 -2.061 218 HB ILE 27 HB ILE 27 5.755 -0.554 -0.726 219 HG12 ILE 27 HG12 ILE 27 4.558 2.190 -1.163 220 HG13 ILE 27 HG13 ILE 27 4.393 0.835 -2.272 221 HG21 ILE 27 HG21 ILE 27 6.979 0.479 1.107 222 HG22 ILE 27 HG22 ILE 27 5.238 0.632 1.350 223 HG23 ILE 27 HG23 ILE 27 6.176 2.018 0.791 224 HD11 ILE 27 HD11 ILE 27 3.357 0.932 0.555 225 HD12 ILE 27 HD12 ILE 27 3.168 -0.413 -0.573 226 HD13 ILE 27 HD13 ILE 27 2.399 1.140 -0.911 227 H ASN 28 H ASN 28 8.525 -0.986 -0.908 228 HA ASN 28 HA ASN 28 10.055 0.396 1.026 229 HB2 ASN 28 HB2 ASN 28 10.194 -2.301 -0.209 230 HB3 ASN 28 HB3 ASN 28 11.622 -1.713 0.637 231 HD21 ASN 28 HD21 ASN 28 8.384 -2.888 0.951 232 HD22 ASN 28 HD22 ASN 28 8.372 -2.957 2.682 233 H ALA 29 H ALA 29 10.651 -0.287 -2.374 234 HA ALA 29 HA ALA 29 13.370 0.630 -2.323 235 HB1 ALA 29 HB1 ALA 29 13.282 0.426 -4.742 236 HB2 ALA 29 HB2 ALA 29 11.534 0.204 -4.673 237 HB3 ALA 29 HB3 ALA 29 12.604 -1.005 -3.964 238 H ALA 30 H ALA 30 10.247 2.137 -2.984 239 HA ALA 30 HA ALA 30 11.618 4.562 -3.881 240 HB1 ALA 30 HB1 ALA 30 9.484 5.307 -4.761 241 HB2 ALA 30 HB2 ALA 30 8.687 3.891 -4.076 242 HB3 ALA 30 HB3 ALA 30 9.879 3.694 -5.361 243 H LEU 31 H LEU 31 11.048 3.530 -0.961 244 HA LEU 31 HA LEU 31 9.550 5.472 0.361 245 HB2 LEU 31 HB2 LEU 31 11.932 3.880 1.252 246 HB3 LEU 31 HB3 LEU 31 11.146 5.026 2.316 247 HG LEU 31 HG LEU 31 9.768 2.651 1.051 248 HD11 LEU 31 HD11 LEU 31 10.842 3.011 3.847 249 HD12 LEU 31 HD12 LEU 31 11.487 1.926 2.615 250 HD13 LEU 31 HD13 LEU 31 9.877 1.647 3.280 251 HD21 LEU 31 HD21 LEU 31 8.901 4.551 3.228 252 HD22 LEU 31 HD22 LEU 31 8.009 3.123 2.693 253 HD23 LEU 31 HD23 LEU 31 8.253 4.478 1.589 254 HA PRO 32 HA PRO 32 13.421 8.456 0.561 255 HB2 PRO 32 HB2 PRO 32 15.045 7.639 -1.749 256 HB3 PRO 32 HB3 PRO 32 15.549 8.072 -0.113 257 HG2 PRO 32 HG2 PRO 32 15.666 5.551 -0.987 258 HG3 PRO 32 HG3 PRO 32 15.247 5.939 0.690 259 HD2 PRO 32 HD2 PRO 32 13.462 5.179 -1.583 260 HD3 PRO 32 HD3 PRO 32 13.432 4.640 0.110 261 H PHE 33 H PHE 33 11.849 7.247 -2.274 262 HA PHE 33 HA PHE 33 12.192 9.721 -3.777 263 HB2 PHE 33 HB2 PHE 33 10.793 7.137 -4.494 264 HB3 PHE 33 HB3 PHE 33 10.938 8.525 -5.568 265 HD1 PHE 33 HD2 PHE 33 13.201 9.216 -6.375 266 HD2 PHE 33 HD1 PHE 33 12.561 5.585 -4.247 267 HE1 PHE 33 HE2 PHE 33 15.357 8.356 -7.191 268 HE2 PHE 33 HE1 PHE 33 14.715 4.725 -5.056 269 HZ PHE 33 HZ PHE 33 16.118 6.110 -6.532 270 H MET 34 H MET 34 10.061 8.479 -1.506 271 HA MET 34 HA MET 34 7.651 9.755 -2.487 272 HB2 MET 34 HB2 MET 34 8.273 8.411 0.154 273 HB3 MET 34 HB3 MET 34 6.707 9.081 -0.265 274 HG2 MET 34 HG2 MET 34 6.452 7.475 -2.040 275 HG3 MET 34 HG3 MET 34 8.072 6.843 -1.734 276 HE1 MET 34 HE1 MET 34 6.016 3.865 -0.383 277 HE2 MET 34 HE2 MET 34 7.412 4.366 -1.336 278 HE3 MET 34 HE3 MET 34 5.785 4.803 -1.860 279 H ASP 35 H ASP 35 6.539 11.436 -1.347 280 HA ASP 35 HA ASP 35 8.047 13.265 0.277 281 HB2 ASP 35 HB2 ASP 35 6.058 13.948 -1.100 282 HB3 ASP 35 HB3 ASP 35 5.035 12.987 -0.042 283 H GLU 36 H GLU 36 7.729 13.522 2.617 284 HA GLU 36 HA GLU 36 7.940 11.093 4.010 285 HB2 GLU 36 HB2 GLU 36 7.385 13.836 5.112 286 HB3 GLU 36 HB3 GLU 36 7.979 12.462 6.033 287 HG2 GLU 36 HG2 GLU 36 10.005 12.439 4.721 288 HG3 GLU 36 HG3 GLU 36 9.395 13.769 3.739 289 H ASP 37 H ASP 37 5.159 13.064 3.338 290 HA ASP 37 HA ASP 37 3.388 12.100 5.313 291 HB2 ASP 37 HB2 ASP 37 3.088 14.134 3.902 292 HB3 ASP 37 HB3 ASP 37 2.790 13.088 2.520 293 H MET 38 H MET 38 3.952 11.143 1.949 294 HA MET 38 HA MET 38 2.105 8.934 1.994 295 HB2 MET 38 HB2 MET 38 2.840 10.401 -0.024 296 HB3 MET 38 HB3 MET 38 4.227 9.323 -0.101 297 HG2 MET 38 HG2 MET 38 2.820 7.427 -0.504 298 HG3 MET 38 HG3 MET 38 1.367 8.373 -0.194 299 HE1 MET 38 HE1 MET 38 4.059 7.285 -2.700 300 HE2 MET 38 HE2 MET 38 4.638 8.932 -2.443 301 HE3 MET 38 HE3 MET 38 3.942 8.469 -4.001 302 H ARG 39 H ARG 39 5.441 9.388 2.659 303 HA ARG 39 HA ARG 39 6.511 6.808 2.377 304 HB2 ARG 39 HB2 ARG 39 7.642 9.051 2.704 305 HB3 ARG 39 HB3 ARG 39 7.267 8.896 4.405 306 HG2 ARG 39 HG2 ARG 39 8.646 6.833 4.461 307 HG3 ARG 39 HG3 ARG 39 9.113 7.163 2.783 308 HD2 ARG 39 HD2 ARG 39 9.772 9.474 3.576 309 HD3 ARG 39 HD3 ARG 39 9.601 8.863 5.218 310 HE ARG 39 HE ARG 39 11.345 7.254 3.623 311 HH11 ARG 39 HH11 ARG 39 11.156 10.126 5.624 312 HH12 ARG 39 HH12 ARG 39 12.870 10.227 5.862 313 HH21 ARG 39 HH21 ARG 39 13.610 7.402 3.949 314 HH22 ARG 39 HH22 ARG 39 14.249 8.683 4.926 315 H GLU 40 H GLU 40 5.368 8.451 5.360 316 HA GLU 40 HA GLU 40 5.343 6.057 6.943 317 HB2 GLU 40 HB2 GLU 40 3.948 8.701 7.415 318 HB3 GLU 40 HB3 GLU 40 4.189 7.432 8.608 319 HG2 GLU 40 HG2 GLU 40 6.630 7.715 8.323 320 HG3 GLU 40 HG3 GLU 40 6.297 9.106 7.282 321 H LEU 41 H LEU 41 2.973 7.663 4.906 322 HA LEU 41 HA LEU 41 0.658 6.260 5.680 323 HB2 LEU 41 HB2 LEU 41 0.571 8.164 4.204 324 HB3 LEU 41 HB3 LEU 41 1.550 7.341 3.011 325 HG LEU 41 HG LEU 41 -0.357 5.672 2.805 326 HD11 LEU 41 HD11 LEU 41 -1.824 7.862 4.262 327 HD12 LEU 41 HD12 LEU 41 -1.539 6.223 4.851 328 HD13 LEU 41 HD13 LEU 41 -2.572 6.491 3.445 329 HD21 LEU 41 HD21 LEU 41 -1.581 7.134 1.277 330 HD22 LEU 41 HD22 LEU 41 0.164 7.332 1.113 331 HD23 LEU 41 HD23 LEU 41 -0.783 8.539 1.984 332 H ALA 42 H ALA 42 3.259 5.464 3.455 333 HA ALA 42 HA ALA 42 2.281 3.033 2.435 334 HB1 ALA 42 HB1 ALA 42 5.126 3.961 2.740 335 HB2 ALA 42 HB2 ALA 42 4.052 4.350 1.395 336 HB3 ALA 42 HB3 ALA 42 4.554 2.681 1.674 337 H LYS 43 H LYS 43 4.051 3.834 5.308 338 HA LYS 43 HA LYS 43 4.787 1.245 6.139 339 HB2 LYS 43 HB2 LYS 43 5.603 3.508 7.017 340 HB3 LYS 43 HB3 LYS 43 4.114 3.575 7.945 341 HG2 LYS 43 HG2 LYS 43 5.969 2.805 9.305 342 HG3 LYS 43 HG3 LYS 43 4.747 1.542 9.127 343 HD2 LYS 43 HD2 LYS 43 6.800 0.445 8.807 344 HD3 LYS 43 HD3 LYS 43 6.141 0.692 7.193 345 HE2 LYS 43 HE2 LYS 43 7.572 2.684 6.940 346 HE3 LYS 43 HE3 LYS 43 8.289 2.339 8.516 347 HZ1 LYS 43 HZ1 LYS 43 8.968 0.155 7.616 348 HZ2 LYS 43 HZ2 LYS 43 9.694 1.461 6.819 349 HZ3 LYS 43 HZ3 LYS 43 8.407 0.638 6.091 350 H ARG 44 H ARG 44 1.904 3.214 6.674 351 HA ARG 44 HA ARG 44 0.508 1.386 8.341 352 HB2 ARG 44 HB2 ARG 44 -0.544 3.609 6.583 353 HB3 ARG 44 HB3 ARG 44 -1.464 2.776 7.829 354 HG2 ARG 44 HG2 ARG 44 1.014 4.414 8.315 355 HG3 ARG 44 HG3 ARG 44 -0.643 4.975 8.549 356 HD2 ARG 44 HD2 ARG 44 -1.006 3.255 10.228 357 HD3 ARG 44 HD3 ARG 44 0.623 2.633 9.969 358 HE ARG 44 HE ARG 44 1.214 5.097 10.665 359 HH11 ARG 44 HH11 ARG 44 -1.179 2.976 12.087 360 HH12 ARG 44 HH12 ARG 44 -1.070 3.705 13.657 361 HH21 ARG 44 HH21 ARG 44 1.363 6.029 12.736 362 HH22 ARG 44 HH22 ARG 44 0.377 5.419 14.027 363 H THR 45 H THR 45 0.589 1.923 4.849 364 HA THR 45 HA THR 45 -1.631 0.312 4.180 365 HB THR 45 HB THR 45 0.726 1.088 2.445 366 HG1 THR 45 HG1 THR 45 -1.328 2.521 3.541 367 HG21 THR 45 HG21 THR 45 -0.849 0.883 0.583 368 HG22 THR 45 HG22 THR 45 -2.112 0.361 1.699 369 HG23 THR 45 HG23 THR 45 -0.692 -0.653 1.438 370 H LEU 46 H LEU 46 1.864 -0.386 4.343 371 HA LEU 46 HA LEU 46 1.618 -3.048 3.371 372 HB2 LEU 46 HB2 LEU 46 3.808 -1.819 5.029 373 HB3 LEU 46 HB3 LEU 46 3.882 -3.408 4.297 374 HG LEU 46 HG LEU 46 3.921 -0.729 2.941 375 HD11 LEU 46 HD11 LEU 46 6.026 -1.611 3.723 376 HD12 LEU 46 HD12 LEU 46 5.963 -1.650 1.960 377 HD13 LEU 46 HD13 LEU 46 5.723 -3.133 2.886 378 HD21 LEU 46 HD21 LEU 46 3.555 -3.404 1.594 379 HD22 LEU 46 HD22 LEU 46 3.802 -1.853 0.789 380 HD23 LEU 46 HD23 LEU 46 2.329 -2.144 1.715 381 H ALA 47 H ALA 47 1.319 -1.635 6.549 382 HA ALA 47 HA ALA 47 1.337 -4.079 8.013 383 HB1 ALA 47 HB1 ALA 47 1.759 -1.919 9.070 384 HB2 ALA 47 HB2 ALA 47 0.408 -2.757 9.836 385 HB3 ALA 47 HB3 ALA 47 0.101 -1.426 8.720 386 H LYS 48 H LYS 48 -1.088 -2.386 6.151 387 HA LYS 48 HA LYS 48 -3.370 -3.770 7.178 388 HB2 LYS 48 HB2 LYS 48 -2.970 -2.356 4.534 389 HB3 LYS 48 HB3 LYS 48 -4.507 -2.958 5.122 390 HG2 LYS 48 HG2 LYS 48 -2.867 -0.798 6.410 391 HG3 LYS 48 HG3 LYS 48 -4.272 -0.547 5.376 392 HD2 LYS 48 HD2 LYS 48 -5.576 -1.934 7.052 393 HD3 LYS 48 HD3 LYS 48 -4.173 -1.795 8.113 394 HE2 LYS 48 HE2 LYS 48 -5.883 0.437 7.027 395 HE3 LYS 48 HE3 LYS 48 -5.733 -0.077 8.707 396 HZ1 LYS 48 HZ1 LYS 48 -3.375 0.615 8.612 397 HZ2 LYS 48 HZ2 LYS 48 -4.448 1.898 8.352 398 HZ3 LYS 48 HZ3 LYS 48 -3.631 1.210 7.040 399 H ILE 49 H ILE 49 -1.292 -4.205 4.292 400 HA ILE 49 HA ILE 49 -2.979 -6.456 3.470 401 HB ILE 49 HB ILE 49 -0.725 -5.774 1.699 402 HG12 ILE 49 HG12 ILE 49 -3.053 -3.866 1.726 403 HG13 ILE 49 HG13 ILE 49 -1.594 -3.522 2.656 404 HG21 ILE 49 HG21 ILE 49 -2.449 -7.350 1.081 405 HG22 ILE 49 HG22 ILE 49 -2.517 -5.944 0.016 406 HG23 ILE 49 HG23 ILE 49 -3.696 -6.129 1.319 407 HD11 ILE 49 HD11 ILE 49 -1.546 -2.427 0.499 408 HD12 ILE 49 HD12 ILE 49 -1.722 -3.986 -0.310 409 HD13 ILE 49 HD13 ILE 49 -0.268 -3.635 0.625 410 H ALA 50 H ALA 50 -0.222 -6.129 5.315 411 HA ALA 50 HA ALA 50 1.405 -8.206 4.655 412 HB1 ALA 50 HB1 ALA 50 0.545 -7.557 7.467 413 HB2 ALA 50 HB2 ALA 50 1.776 -6.694 6.544 414 HB3 ALA 50 HB3 ALA 50 2.024 -8.386 6.973 415 HA PRO 51 HA PRO 51 -1.400 -11.669 6.384 416 HB2 PRO 51 HB2 PRO 51 -4.049 -10.667 7.016 417 HB3 PRO 51 HB3 PRO 51 -2.905 -11.517 8.055 418 HG2 PRO 51 HG2 PRO 51 -3.560 -8.916 8.413 419 HG3 PRO 51 HG3 PRO 51 -1.972 -9.581 8.839 420 HD2 PRO 51 HD2 PRO 51 -2.788 -8.053 6.392 421 HD3 PRO 51 HD3 PRO 51 -1.348 -7.852 7.418 422 H LEU 52 H LEU 52 -2.281 -9.390 4.056 423 HA LEU 52 HA LEU 52 -4.316 -11.149 2.868 424 HB2 LEU 52 HB2 LEU 52 -3.727 -8.273 2.168 425 HB3 LEU 52 HB3 LEU 52 -4.998 -9.262 1.490 426 HG LEU 52 HG LEU 52 -4.849 -8.295 4.343 427 HD11 LEU 52 HD11 LEU 52 -5.307 -6.547 2.711 428 HD12 LEU 52 HD12 LEU 52 -6.733 -6.904 3.684 429 HD13 LEU 52 HD13 LEU 52 -6.615 -7.515 2.034 430 HD21 LEU 52 HD21 LEU 52 -6.999 -9.848 2.902 431 HD22 LEU 52 HD22 LEU 52 -7.128 -9.176 4.528 432 HD23 LEU 52 HD23 LEU 52 -5.966 -10.460 4.194 433 H THR 53 H THR 53 -2.757 -12.582 2.050 434 HA THR 53 HA THR 53 -0.692 -11.520 0.330 435 HB THR 53 HB THR 53 0.152 -13.142 1.787 436 HG1 THR 53 HG1 THR 53 0.258 -15.040 -0.027 437 HG21 THR 53 HG21 THR 53 -1.911 -14.253 2.459 438 HG22 THR 53 HG22 THR 53 -0.694 -15.444 1.990 439 HG23 THR 53 HG23 THR 53 -2.013 -15.045 0.887 440 H GLU 54 H GLU 54 -2.110 -10.720 -1.341 441 HA GLU 54 HA GLU 54 -2.005 -10.705 -3.607 442 HB2 GLU 54 HB2 GLU 54 -1.320 -13.629 -3.373 443 HB3 GLU 54 HB3 GLU 54 -1.593 -12.857 -4.925 444 HG2 GLU 54 HG2 GLU 54 0.509 -12.148 -2.908 445 HG3 GLU 54 HG3 GLU 54 0.753 -12.973 -4.450 446 H ASN 55 H ASN 55 -3.626 -13.796 -2.858 447 HA ASN 55 HA ASN 55 -5.804 -13.328 -4.643 448 HB2 ASN 55 HB2 ASN 55 -4.835 -15.550 -3.728 449 HB3 ASN 55 HB3 ASN 55 -5.817 -15.243 -2.307 450 HD21 ASN 55 HD21 ASN 55 -5.879 -17.395 -4.297 451 HD22 ASN 55 HD22 ASN 55 -7.500 -17.429 -4.900 452 H GLU 56 H GLU 56 -5.220 -12.729 -1.254 453 HA GLU 56 HA GLU 56 -7.909 -12.047 -0.554 454 HB2 GLU 56 HB2 GLU 56 -5.571 -11.033 0.997 455 HB3 GLU 56 HB3 GLU 56 -7.110 -11.636 1.578 456 HG2 GLU 56 HG2 GLU 56 -4.908 -13.338 0.436 457 HG3 GLU 56 HG3 GLU 56 -5.190 -13.069 2.153 458 H TYR 57 H TYR 57 -5.127 -10.336 -1.760 459 HA TYR 57 HA TYR 57 -6.080 -7.673 -1.428 460 HB2 TYR 57 HB2 TYR 57 -3.691 -8.220 -1.716 461 HB3 TYR 57 HB3 TYR 57 -4.017 -8.814 -3.337 462 HD1 TYR 57 HD1 TYR 57 -3.939 -5.771 -1.231 463 HD2 TYR 57 HD2 TYR 57 -4.106 -7.321 -5.187 464 HE1 TYR 57 HE1 TYR 57 -3.475 -3.531 -2.129 465 HE2 TYR 57 HE2 TYR 57 -3.641 -5.087 -6.092 466 HH TYR 57 HH TYR 57 -2.560 -2.517 -4.153 467 H ALA 58 H ALA 58 -6.667 -10.202 -3.754 468 HA ALA 58 HA ALA 58 -7.531 -8.554 -5.916 469 HB1 ALA 58 HB1 ALA 58 -6.709 -10.829 -6.277 470 HB2 ALA 58 HB2 ALA 58 -8.343 -10.624 -6.914 471 HB3 ALA 58 HB3 ALA 58 -8.094 -11.464 -5.384 472 H GLU 59 H GLU 59 -9.122 -9.820 -3.051 473 HA GLU 59 HA GLU 59 -11.819 -9.382 -3.637 474 HB2 GLU 59 HB2 GLU 59 -10.318 -8.780 -1.084 475 HB3 GLU 59 HB3 GLU 59 -12.066 -8.772 -1.231 476 HG2 GLU 59 HG2 GLU 59 -12.033 -11.153 -1.745 477 HG3 GLU 59 HG3 GLU 59 -10.271 -11.156 -1.594 478 H LEU 60 H LEU 60 -9.264 -7.144 -2.793 479 HA LEU 60 HA LEU 60 -11.086 -4.932 -2.445 480 HB2 LEU 60 HB2 LEU 60 -8.073 -4.851 -2.316 481 HB3 LEU 60 HB3 LEU 60 -9.212 -3.717 -1.615 482 HG LEU 60 HG LEU 60 -8.836 -6.582 -0.702 483 HD11 LEU 60 HD11 LEU 60 -6.921 -5.245 -0.118 484 HD12 LEU 60 HD12 LEU 60 -7.897 -5.584 1.318 485 HD13 LEU 60 HD13 LEU 60 -7.973 -3.997 0.551 486 HD21 LEU 60 HD21 LEU 60 -10.210 -5.946 1.198 487 HD22 LEU 60 HD22 LEU 60 -11.097 -5.790 -0.318 488 HD23 LEU 60 HD23 LEU 60 -10.467 -4.352 0.487 489 H ALA 61 H ALA 61 -8.122 -5.477 -4.330 490 HA ALA 61 HA ALA 61 -7.307 -4.670 -6.280 491 HB1 ALA 61 HB1 ALA 61 -10.187 -4.787 -7.152 492 HB2 ALA 61 HB2 ALA 61 -9.083 -6.160 -7.102 493 HB3 ALA 61 HB3 ALA 61 -8.769 -4.816 -8.202 494 H ILE 62 H ILE 62 -7.764 -2.666 -4.395 495 HA ILE 62 HA ILE 62 -7.963 -0.476 -3.982 496 HB ILE 62 HB ILE 62 -7.778 -0.089 -6.987 497 HG12 ILE 62 HG12 ILE 62 -5.457 0.880 -6.025 498 HG13 ILE 62 HG13 ILE 62 -5.764 -0.365 -4.821 499 HG21 ILE 62 HG21 ILE 62 -7.185 2.232 -6.486 500 HG22 ILE 62 HG22 ILE 62 -7.501 1.939 -4.774 501 HG23 ILE 62 HG23 ILE 62 -8.816 1.839 -5.945 502 HD11 ILE 62 HD11 ILE 62 -5.861 -2.044 -6.586 503 HD12 ILE 62 HD12 ILE 62 -4.321 -1.183 -6.587 504 HD13 ILE 62 HD13 ILE 62 -5.551 -0.795 -7.792 505 H PHE 63 H PHE 63 -9.851 -0.121 -3.056 506 HA PHE 63 HA PHE 63 -12.288 -0.007 -4.647 507 HB2 PHE 63 HB2 PHE 63 -11.720 -0.125 -1.715 508 HB3 PHE 63 HB3 PHE 63 -13.268 0.501 -2.269 509 HD1 PHE 63 HD2 PHE 63 -14.120 -1.149 -4.391 510 HD2 PHE 63 HD1 PHE 63 -11.914 -2.242 -0.921 511 HE1 PHE 63 HE2 PHE 63 -14.991 -3.442 -4.563 512 HE2 PHE 63 HE1 PHE 63 -12.786 -4.528 -1.093 513 HZ PHE 63 HZ PHE 63 -14.320 -5.130 -2.907 514 H ALA 64 H ALA 64 -10.710 2.070 -2.207 515 HA ALA 64 HA ALA 64 -12.455 4.243 -2.966 516 HB1 ALA 64 HB1 ALA 64 -10.388 4.119 -0.787 517 HB2 ALA 64 HB2 ALA 64 -12.097 3.724 -0.605 518 HB3 ALA 64 HB3 ALA 64 -11.610 5.372 -1.004 519 H ALA 65 H ALA 65 -11.573 4.524 -5.070 520 HA ALA 65 HA ALA 65 -9.172 6.223 -5.042 521 HB1 ALA 65 HB1 ALA 65 -8.735 4.104 -6.194 522 HB2 ALA 65 HB2 ALA 65 -8.682 5.466 -7.313 523 HB3 ALA 65 HB3 ALA 65 -10.095 4.413 -7.275 524 H ASP 66 H ASP 66 -12.314 6.438 -5.054 525 HA ASP 66 HA ASP 66 -12.745 8.103 -7.396 526 HB2 ASP 66 HB2 ASP 66 -14.480 6.506 -6.695 527 HB3 ASP 66 HB3 ASP 66 -14.589 7.307 -5.132 528 H GLU 67 H GLU 67 -12.290 8.399 -3.946 529 HA GLU 67 HA GLU 67 -13.064 11.193 -3.931 530 HB2 GLU 67 HB2 GLU 67 -12.131 9.356 -1.729 531 HB3 GLU 67 HB3 GLU 67 -12.653 11.021 -1.486 532 HG2 GLU 67 HG2 GLU 67 -14.861 10.493 -2.249 533 HG3 GLU 67 HG3 GLU 67 -14.353 8.865 -2.702 534 H VAL 68 H VAL 68 -10.165 9.477 -4.447 535 HA VAL 68 HA VAL 68 -8.461 11.555 -3.338 536 HB VAL 68 HB VAL 68 -6.563 10.281 -4.386 537 HG11 VAL 68 HG11 VAL 68 -8.311 8.898 -2.376 538 HG12 VAL 68 HG12 VAL 68 -7.099 10.137 -2.050 539 HG13 VAL 68 HG13 VAL 68 -6.605 8.557 -2.658 540 HG21 VAL 68 HG21 VAL 68 -6.975 7.931 -4.974 541 HG22 VAL 68 HG22 VAL 68 -7.781 9.042 -6.084 542 HG23 VAL 68 HG23 VAL 68 -8.713 8.211 -4.839 543 H LEU 69 H LEU 69 -10.222 11.386 -6.074 544 HA LEU 69 HA LEU 69 -8.496 12.209 -8.126 545 HB2 LEU 69 HB2 LEU 69 -11.421 12.818 -7.735 546 HB3 LEU 69 HB3 LEU 69 -10.534 13.090 -9.222 547 HG LEU 69 HG LEU 69 -11.002 10.384 -7.952 548 HD11 LEU 69 HD11 LEU 69 -13.062 11.344 -8.799 549 HD12 LEU 69 HD12 LEU 69 -12.528 10.018 -9.831 550 HD13 LEU 69 HD13 LEU 69 -12.285 11.688 -10.345 551 HD21 LEU 69 HD21 LEU 69 -9.818 11.122 -10.628 552 HD22 LEU 69 HD22 LEU 69 -10.136 9.486 -10.051 553 HD23 LEU 69 HD23 LEU 69 -8.926 10.487 -9.247 554 H GLU 70 H GLU 70 -10.229 14.077 -5.664 555 HA GLU 70 HA GLU 70 -8.535 16.366 -6.397 556 HB2 GLU 70 HB2 GLU 70 -11.049 16.489 -7.008 557 HB3 GLU 70 HB3 GLU 70 -11.298 16.726 -5.287 558 HG2 GLU 70 HG2 GLU 70 -9.806 18.686 -5.376 559 HG3 GLU 70 HG3 GLU 70 -9.691 18.473 -7.126 560 H HIS 71 H HIS 71 -8.455 14.135 -4.261 561 HA HIS 71 HA HIS 71 -8.534 15.764 -1.834 562 HB2 HIS 71 HB2 HIS 71 -9.268 13.251 -2.032 563 HB3 HIS 71 HB3 HIS 71 -7.547 12.930 -1.853 564 HD1 HIS 71 HD1 HIS 71 -7.279 12.144 0.499 565 HD2 HIS 71 HD2 HIS 71 -9.718 15.505 0.244 566 HE1 HIS 71 HE1 HIS 71 -7.839 12.768 2.863 567 HE2 HIS 71 HE2 HIS 71 -9.110 14.928 2.687 568 H HIS 72 H HIS 72 -6.310 14.672 -4.193 569 HA HIS 72 HA HIS 72 -4.045 15.474 -2.522 570 HB2 HIS 72 HB2 HIS 72 -4.151 13.977 -5.146 571 HB3 HIS 72 HB3 HIS 72 -2.654 14.605 -4.468 572 HD1 HIS 72 HD1 HIS 72 -1.401 12.940 -3.135 573 HD2 HIS 72 HD2 HIS 72 -5.474 12.148 -3.109 574 HE1 HIS 72 HE1 HIS 72 -1.669 10.843 -1.786 575 HE2 HIS 72 HE2 HIS 72 -4.163 10.549 -1.575 576 H HIS 73 H HIS 73 -4.189 17.615 -2.500 577 HA HIS 73 HA HIS 73 -4.588 19.097 -4.976 578 HB2 HIS 73 HB2 HIS 73 -5.706 19.592 -2.662 579 HB3 HIS 73 HB3 HIS 73 -4.164 20.337 -2.262 580 HD1 HIS 73 HD1 HIS 73 -3.689 22.634 -3.234 581 HD2 HIS 73 HD2 HIS 73 -7.182 20.918 -4.682 582 HE1 HIS 73 HE1 HIS 73 -4.854 24.454 -4.523 583 HE2 HIS 73 HE2 HIS 73 -6.992 23.406 -5.341 584 H HIS 74 H HIS 74 -3.061 20.582 -5.773 585 HA HIS 74 HA HIS 74 -0.410 19.624 -5.606 586 HB2 HIS 74 HB2 HIS 74 0.150 21.174 -7.339 587 HB3 HIS 74 HB3 HIS 74 -1.470 20.600 -7.680 588 HD1 HIS 74 HD1 HIS 74 -3.450 22.373 -7.266 589 HD2 HIS 74 HD2 HIS 74 0.410 23.901 -7.047 590 HE1 HIS 74 HE1 HIS 74 -3.698 24.871 -7.379 591 HE2 HIS 74 HE2 HIS 74 -1.357 25.775 -7.122 592 H HIS 75 H HIS 75 1.266 20.182 -4.401 593 HA HIS 75 HA HIS 75 1.160 22.755 -2.976 594 HB2 HIS 75 HB2 HIS 75 1.365 20.626 -1.602 595 HB3 HIS 75 HB3 HIS 75 2.956 20.399 -2.315 596 HD1 HIS 75 HD1 HIS 75 1.303 23.440 -0.695 597 HD2 HIS 75 HD2 HIS 75 4.755 21.144 -0.447 598 HE1 HIS 75 HE1 HIS 75 2.730 24.555 1.037 599 HE2 HIS 75 HE2 HIS 75 4.718 23.033 1.312 600 H HIS 76 H HIS 76 2.579 21.071 -5.529 601 HA HIS 76 HA HIS 76 4.473 23.279 -5.945 602 HB2 HIS 76 HB2 HIS 76 4.975 20.337 -6.327 603 HB3 HIS 76 HB3 HIS 76 5.858 21.534 -7.265 604 HD1 HIS 76 HD1 HIS 76 6.468 19.515 -4.529 605 HD2 HIS 76 HD2 HIS 76 6.844 23.612 -5.122 606 HE1 HIS 76 HE1 HIS 76 8.120 20.304 -2.809 607 HE2 HIS 76 HE2 HIS 76 8.453 22.746 -3.297 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -12.598 -9.183 1.419 2 H2 MET 1 H2 MET 1 -12.664 -9.134 3.115 3 H3 MET 1 H3 MET 1 -11.212 -9.515 2.333 4 HA MET 1 HA MET 1 -11.036 -7.323 1.427 5 HB2 MET 1 HB2 MET 1 -13.659 -6.872 2.862 6 HB3 MET 1 HB3 MET 1 -12.653 -5.576 2.243 7 HG2 MET 1 HG2 MET 1 -12.944 -6.446 -0.028 8 HG3 MET 1 HG3 MET 1 -13.980 -7.726 0.609 9 HE1 MET 1 HE1 MET 1 -16.583 -5.410 -1.177 10 HE2 MET 1 HE2 MET 1 -15.970 -7.057 -1.014 11 HE3 MET 1 HE3 MET 1 -14.951 -5.803 -1.718 12 H ILE 2 H ILE 2 -10.212 -5.481 2.677 13 HA ILE 2 HA ILE 2 -10.312 -5.790 5.590 14 HB ILE 2 HB ILE 2 -8.063 -6.537 4.848 15 HG12 ILE 2 HG12 ILE 2 -8.054 -3.901 6.338 16 HG13 ILE 2 HG13 ILE 2 -8.320 -5.485 7.049 17 HG21 ILE 2 HG21 ILE 2 -7.720 -3.742 3.778 18 HG22 ILE 2 HG22 ILE 2 -7.858 -5.214 2.812 19 HG23 ILE 2 HG23 ILE 2 -6.465 -4.978 3.872 20 HD11 ILE 2 HD11 ILE 2 -6.020 -6.110 6.444 21 HD12 ILE 2 HD12 ILE 2 -6.088 -4.710 7.517 22 HD13 ILE 2 HD13 ILE 2 -5.776 -4.486 5.795 23 H ARG 3 H ARG 3 -10.369 -3.791 6.734 24 HA ARG 3 HA ARG 3 -11.612 -1.692 5.174 25 HB2 ARG 3 HB2 ARG 3 -11.374 -2.270 8.095 26 HB3 ARG 3 HB3 ARG 3 -11.719 -0.623 7.591 27 HG2 ARG 3 HG2 ARG 3 -13.762 -1.801 8.140 28 HG3 ARG 3 HG3 ARG 3 -13.729 -1.396 6.428 29 HD2 ARG 3 HD2 ARG 3 -13.164 -3.657 5.851 30 HD3 ARG 3 HD3 ARG 3 -12.987 -4.093 7.551 31 HE ARG 3 HE ARG 3 -15.443 -3.545 7.707 32 HH11 ARG 3 HH11 ARG 3 -14.034 -4.607 4.670 33 HH12 ARG 3 HH12 ARG 3 -15.480 -5.413 4.148 34 HH21 ARG 3 HH21 ARG 3 -17.333 -4.564 6.991 35 HH22 ARG 3 HH22 ARG 3 -17.357 -5.374 5.453 36 H LEU 4 H LEU 4 -10.137 -0.686 4.029 37 HA LEU 4 HA LEU 4 -7.871 0.556 5.406 38 HB2 LEU 4 HB2 LEU 4 -8.358 0.173 2.449 39 HB3 LEU 4 HB3 LEU 4 -6.929 0.891 3.160 40 HG LEU 4 HG LEU 4 -7.779 -1.973 3.580 41 HD11 LEU 4 HD11 LEU 4 -5.952 -2.527 2.056 42 HD12 LEU 4 HD12 LEU 4 -5.688 -0.811 1.745 43 HD13 LEU 4 HD13 LEU 4 -7.201 -1.576 1.256 44 HD21 LEU 4 HD21 LEU 4 -5.517 -2.253 4.458 45 HD22 LEU 4 HD22 LEU 4 -6.422 -1.067 5.398 46 HD23 LEU 4 HD23 LEU 4 -5.210 -0.531 4.234 47 H THR 5 H THR 5 -7.520 2.787 5.238 48 HA THR 5 HA THR 5 -9.722 4.460 4.504 49 HB THR 5 HB THR 5 -7.548 6.146 4.570 50 HG1 THR 5 HG1 THR 5 -5.972 4.864 5.293 51 HG21 THR 5 HG21 THR 5 -8.259 6.664 6.857 52 HG22 THR 5 HG22 THR 5 -9.174 5.159 6.906 53 HG23 THR 5 HG23 THR 5 -9.643 6.437 5.785 54 H ILE 6 H ILE 6 -9.500 6.187 2.813 55 HA ILE 6 HA ILE 6 -8.807 4.840 0.368 56 HB ILE 6 HB ILE 6 -9.851 7.661 0.527 57 HG12 ILE 6 HG12 ILE 6 -11.361 6.301 1.887 58 HG13 ILE 6 HG13 ILE 6 -12.138 6.724 0.368 59 HG21 ILE 6 HG21 ILE 6 -10.848 7.091 -1.647 60 HG22 ILE 6 HG22 ILE 6 -10.107 5.494 -1.551 61 HG23 ILE 6 HG23 ILE 6 -9.089 6.932 -1.661 62 HD11 ILE 6 HD11 ILE 6 -12.614 4.425 1.025 63 HD12 ILE 6 HD12 ILE 6 -10.888 4.061 1.020 64 HD13 ILE 6 HD13 ILE 6 -11.702 4.486 -0.486 65 H GLU 7 H GLU 7 -7.140 6.930 2.449 66 HA GLU 7 HA GLU 7 -5.300 8.013 0.574 67 HB2 GLU 7 HB2 GLU 7 -5.664 8.147 3.346 68 HB3 GLU 7 HB3 GLU 7 -4.073 7.430 3.117 69 HG2 GLU 7 HG2 GLU 7 -3.754 9.760 3.260 70 HG3 GLU 7 HG3 GLU 7 -3.552 9.326 1.562 71 H GLU 8 H GLU 8 -5.545 4.950 2.287 72 HA GLU 8 HA GLU 8 -2.977 3.937 1.639 73 HB2 GLU 8 HB2 GLU 8 -5.367 2.135 1.912 74 HB3 GLU 8 HB3 GLU 8 -3.701 1.823 2.359 75 HG2 GLU 8 HG2 GLU 8 -5.704 3.525 3.804 76 HG3 GLU 8 HG3 GLU 8 -5.016 1.996 4.327 77 H THR 9 H THR 9 -6.174 3.580 0.156 78 HA THR 9 HA THR 9 -5.311 1.903 -1.965 79 HB THR 9 HB THR 9 -7.592 2.660 -2.952 80 HG1 THR 9 HG1 THR 9 -8.592 4.057 -1.757 81 HG21 THR 9 HG21 THR 9 -7.358 1.029 -0.426 82 HG22 THR 9 HG22 THR 9 -7.129 0.444 -2.075 83 HG23 THR 9 HG23 THR 9 -8.720 0.993 -1.547 84 H ASN 10 H ASN 10 -5.515 5.390 -1.622 85 HA ASN 10 HA ASN 10 -5.242 6.020 -4.383 86 HB2 ASN 10 HB2 ASN 10 -6.010 7.650 -2.687 87 HB3 ASN 10 HB3 ASN 10 -4.405 7.640 -1.966 88 HD21 ASN 10 HD21 ASN 10 -6.313 8.633 -4.720 89 HD22 ASN 10 HD22 ASN 10 -5.170 9.769 -5.340 90 H LEU 11 H LEU 11 -2.911 5.527 -1.767 91 HA LEU 11 HA LEU 11 -0.536 6.004 -3.259 92 HB2 LEU 11 HB2 LEU 11 -0.477 6.055 -0.865 93 HB3 LEU 11 HB3 LEU 11 -1.125 4.431 -0.753 94 HG LEU 11 HG LEU 11 1.011 3.600 -1.789 95 HD11 LEU 11 HD11 LEU 11 1.932 6.413 -1.248 96 HD12 LEU 11 HD12 LEU 11 1.775 5.647 -2.830 97 HD13 LEU 11 HD13 LEU 11 2.974 5.056 -1.676 98 HD21 LEU 11 HD21 LEU 11 1.194 5.069 0.826 99 HD22 LEU 11 HD22 LEU 11 2.272 3.781 0.290 100 HD23 LEU 11 HD23 LEU 11 0.567 3.439 0.584 101 H LEU 12 H LEU 12 -2.449 3.140 -2.569 102 HA LEU 12 HA LEU 12 -0.822 1.214 -3.817 103 HB2 LEU 12 HB2 LEU 12 -3.794 1.237 -3.329 104 HB3 LEU 12 HB3 LEU 12 -2.889 -0.164 -3.870 105 HG LEU 12 HG LEU 12 -2.531 1.258 -1.233 106 HD11 LEU 12 HD11 LEU 12 -3.726 -1.432 -1.873 107 HD12 LEU 12 HD12 LEU 12 -4.608 0.000 -1.339 108 HD13 LEU 12 HD13 LEU 12 -3.450 -0.777 -0.260 109 HD21 LEU 12 HD21 LEU 12 -0.430 0.356 -1.991 110 HD22 LEU 12 HD22 LEU 12 -1.188 -1.195 -2.348 111 HD23 LEU 12 HD23 LEU 12 -1.063 -0.637 -0.678 112 H SER 13 H SER 13 -3.293 3.355 -5.073 113 HA SER 13 HA SER 13 -3.523 2.219 -7.648 114 HB2 SER 13 HB2 SER 13 -5.185 3.743 -6.641 115 HB3 SER 13 HB3 SER 13 -4.024 5.064 -6.754 116 HG SER 13 HG SER 13 -4.845 3.562 -9.007 117 H ILE 14 H ILE 14 -1.271 4.562 -6.245 118 HA ILE 14 HA ILE 14 -0.146 5.488 -8.688 119 HB ILE 14 HB ILE 14 1.110 5.462 -5.932 120 HG12 ILE 14 HG12 ILE 14 -0.348 7.697 -7.366 121 HG13 ILE 14 HG13 ILE 14 -1.044 6.709 -6.088 122 HG21 ILE 14 HG21 ILE 14 1.868 7.060 -8.389 123 HG22 ILE 14 HG22 ILE 14 2.795 5.737 -7.682 124 HG23 ILE 14 HG23 ILE 14 2.581 7.240 -6.785 125 HD11 ILE 14 HD11 ILE 14 -0.311 8.876 -5.257 126 HD12 ILE 14 HD12 ILE 14 1.333 8.532 -5.799 127 HD13 ILE 14 HD13 ILE 14 0.607 7.562 -4.518 128 H TYR 15 H TYR 15 0.744 2.937 -6.395 129 HA TYR 15 HA TYR 15 2.964 2.134 -8.142 130 HB2 TYR 15 HB2 TYR 15 2.447 1.792 -5.197 131 HB3 TYR 15 HB3 TYR 15 3.664 0.832 -6.037 132 HD1 TYR 15 HD2 TYR 15 5.572 1.944 -7.125 133 HD2 TYR 15 HD1 TYR 15 2.879 4.073 -4.622 134 HE1 TYR 15 HE2 TYR 15 7.217 3.752 -6.918 135 HE2 TYR 15 HE1 TYR 15 4.516 5.895 -4.405 136 HH TYR 15 HH TYR 15 7.211 6.185 -6.425 137 H ASN 16 H ASN 16 0.130 1.344 -8.591 138 HA ASN 16 HA ASN 16 -0.214 -1.329 -7.678 139 HB2 ASN 16 HB2 ASN 16 -2.101 0.207 -8.305 140 HB3 ASN 16 HB3 ASN 16 -1.666 -0.044 -9.995 141 HD21 ASN 16 HD21 ASN 16 -3.623 -1.024 -10.500 142 HD22 ASN 16 HD22 ASN 16 -4.046 -2.602 -9.939 143 H GLU 17 H GLU 17 1.244 -2.729 -8.232 144 HA GLU 17 HA GLU 17 2.138 -3.008 -10.963 145 HB2 GLU 17 HB2 GLU 17 3.571 -3.224 -8.835 146 HB3 GLU 17 HB3 GLU 17 2.820 -4.799 -8.635 147 HG2 GLU 17 HG2 GLU 17 4.964 -5.047 -9.684 148 HG3 GLU 17 HG3 GLU 17 3.691 -5.477 -10.826 149 H GLY 18 H GLY 18 -0.208 -4.379 -8.811 150 HA2 GLY 18 HA2 GLY 18 -1.977 -5.463 -10.367 151 HA3 GLY 18 HA3 GLY 18 -0.689 -6.622 -10.654 152 H GLY 19 H GLY 19 0.303 -6.660 -7.951 153 HA2 GLY 19 HA2 GLY 19 -1.971 -7.852 -6.514 154 HA3 GLY 19 HA3 GLY 19 -0.537 -8.823 -6.825 155 H LYS 20 H LYS 20 -0.917 -8.803 -4.310 156 HA LYS 20 HA LYS 20 -0.205 -6.335 -3.017 157 HB2 LYS 20 HB2 LYS 20 -0.950 -7.265 -1.067 158 HB3 LYS 20 HB3 LYS 20 -1.838 -8.228 -2.222 159 HG2 LYS 20 HG2 LYS 20 -1.160 -9.931 -0.938 160 HG3 LYS 20 HG3 LYS 20 0.348 -9.785 -1.848 161 HD2 LYS 20 HD2 LYS 20 1.351 -8.470 -0.143 162 HD3 LYS 20 HD3 LYS 20 -0.189 -8.257 0.688 163 HE2 LYS 20 HE2 LYS 20 1.058 -9.834 1.915 164 HE3 LYS 20 HE3 LYS 20 -0.211 -10.720 1.075 165 HZ1 LYS 20 HZ1 LYS 20 2.634 -10.532 0.285 166 HZ2 LYS 20 HZ2 LYS 20 1.426 -11.313 -0.616 167 HZ3 LYS 20 HZ3 LYS 20 1.847 -11.896 0.918 168 H ARG 21 H ARG 21 1.403 -9.247 -3.948 169 HA ARG 21 HA ARG 21 3.707 -9.068 -2.329 170 HB2 ARG 21 HB2 ARG 21 2.887 -11.062 -3.536 171 HB3 ARG 21 HB3 ARG 21 3.307 -10.298 -5.056 172 HG2 ARG 21 HG2 ARG 21 5.686 -10.246 -4.239 173 HG3 ARG 21 HG3 ARG 21 5.150 -11.283 -2.910 174 HD2 ARG 21 HD2 ARG 21 6.045 -12.610 -4.752 175 HD3 ARG 21 HD3 ARG 21 4.325 -12.922 -4.513 176 HE ARG 21 HE ARG 21 5.017 -10.921 -6.502 177 HH11 ARG 21 HH11 ARG 21 3.964 -14.207 -5.887 178 HH12 ARG 21 HH12 ARG 21 3.534 -14.497 -7.545 179 HH21 ARG 21 HH21 ARG 21 4.413 -11.289 -8.642 180 HH22 ARG 21 HH22 ARG 21 3.779 -12.840 -9.106 181 H GLY 22 H GLY 22 3.062 -8.079 -5.686 182 HA2 GLY 22 HA2 GLY 22 5.515 -6.770 -6.158 183 HA3 GLY 22 HA3 GLY 22 4.032 -6.515 -7.054 184 H LEU 23 H LEU 23 2.505 -5.607 -4.759 185 HA LEU 23 HA LEU 23 3.150 -2.846 -4.761 186 HB2 LEU 23 HB2 LEU 23 1.051 -4.524 -3.670 187 HB3 LEU 23 HB3 LEU 23 1.506 -3.252 -2.552 188 HG LEU 23 HG LEU 23 -0.356 -2.533 -3.903 189 HD11 LEU 23 HD11 LEU 23 2.186 -1.125 -4.707 190 HD12 LEU 23 HD12 LEU 23 1.239 -0.820 -3.252 191 HD13 LEU 23 HD13 LEU 23 0.558 -0.459 -4.839 192 HD21 LEU 23 HD21 LEU 23 1.421 -3.016 -6.284 193 HD22 LEU 23 HD22 LEU 23 -0.173 -2.262 -6.320 194 HD23 LEU 23 HD23 LEU 23 -0.005 -3.952 -5.842 195 H MET 24 H MET 24 3.683 -5.386 -2.341 196 HA MET 24 HA MET 24 4.666 -3.599 -0.362 197 HB2 MET 24 HB2 MET 24 5.000 -6.583 -0.644 198 HB3 MET 24 HB3 MET 24 5.573 -5.659 0.743 199 HG2 MET 24 HG2 MET 24 3.273 -4.918 1.176 200 HG3 MET 24 HG3 MET 24 2.718 -5.885 -0.188 201 HE1 MET 24 HE1 MET 24 3.972 -5.846 3.487 202 HE2 MET 24 HE2 MET 24 5.343 -6.620 2.694 203 HE3 MET 24 HE3 MET 24 4.327 -7.545 3.804 204 H GLU 25 H GLU 25 6.206 -5.305 -3.014 205 HA GLU 25 HA GLU 25 8.886 -4.655 -2.272 206 HB2 GLU 25 HB2 GLU 25 7.702 -5.251 -4.990 207 HB3 GLU 25 HB3 GLU 25 9.419 -5.180 -4.631 208 HG2 GLU 25 HG2 GLU 25 7.497 -7.116 -3.374 209 HG3 GLU 25 HG3 GLU 25 8.497 -7.466 -4.786 210 H ASN 26 H ASN 26 6.473 -3.133 -4.396 211 HA ASN 26 HA ASN 26 8.082 -1.069 -5.454 212 HB2 ASN 26 HB2 ASN 26 5.152 -1.553 -5.263 213 HB3 ASN 26 HB3 ASN 26 5.679 0.085 -5.620 214 HD21 ASN 26 HD21 ASN 26 7.378 -2.795 -6.674 215 HD22 ASN 26 HD22 ASN 26 7.031 -2.607 -8.357 216 H ILE 27 H ILE 27 5.974 -1.151 -2.636 217 HA ILE 27 HA ILE 27 6.341 1.584 -1.949 218 HB ILE 27 HB ILE 27 5.214 -0.775 -0.444 219 HG12 ILE 27 HG12 ILE 27 3.892 1.711 -1.563 220 HG13 ILE 27 HG13 ILE 27 3.940 0.153 -2.379 221 HG21 ILE 27 HG21 ILE 27 5.305 2.089 0.482 222 HG22 ILE 27 HG22 ILE 27 6.160 0.728 1.210 223 HG23 ILE 27 HG23 ILE 27 4.398 0.786 1.250 224 HD11 ILE 27 HD11 ILE 27 1.792 0.526 -1.311 225 HD12 ILE 27 HD12 ILE 27 2.586 0.726 0.252 226 HD13 ILE 27 HD13 ILE 27 2.631 -0.836 -0.565 227 H ASN 28 H ASN 28 7.868 -1.436 -0.872 228 HA ASN 28 HA ASN 28 9.300 -0.430 1.336 229 HB2 ASN 28 HB2 ASN 28 8.848 -2.866 0.588 230 HB3 ASN 28 HB3 ASN 28 10.304 -2.677 -0.382 231 HD21 ASN 28 HD21 ASN 28 8.999 -3.124 2.746 232 HD22 ASN 28 HD22 ASN 28 10.496 -3.327 3.578 233 H ALA 29 H ALA 29 10.193 -0.757 -2.071 234 HA ALA 29 HA ALA 29 12.912 0.080 -1.675 235 HB1 ALA 29 HB1 ALA 29 11.341 -0.214 -4.237 236 HB2 ALA 29 HB2 ALA 29 12.295 -1.480 -3.462 237 HB3 ALA 29 HB3 ALA 29 13.088 -0.040 -4.100 238 H ALA 30 H ALA 30 9.908 1.673 -2.568 239 HA ALA 30 HA ALA 30 11.384 4.007 -3.509 240 HB1 ALA 30 HB1 ALA 30 9.654 3.085 -4.976 241 HB2 ALA 30 HB2 ALA 30 9.307 4.749 -4.505 242 HB3 ALA 30 HB3 ALA 30 8.440 3.420 -3.738 243 H LEU 31 H LEU 31 10.775 3.241 -0.536 244 HA LEU 31 HA LEU 31 9.077 5.114 0.595 245 HB2 LEU 31 HB2 LEU 31 11.594 3.905 1.699 246 HB3 LEU 31 HB3 LEU 31 10.555 4.952 2.642 247 HG LEU 31 HG LEU 31 9.697 2.322 1.425 248 HD11 LEU 31 HD11 LEU 31 9.762 1.492 3.726 249 HD12 LEU 31 HD12 LEU 31 10.414 3.038 4.268 250 HD13 LEU 31 HD13 LEU 31 11.358 2.013 3.186 251 HD21 LEU 31 HD21 LEU 31 7.872 3.923 1.701 252 HD22 LEU 31 HD22 LEU 31 8.328 4.157 3.389 253 HD23 LEU 31 HD23 LEU 31 7.729 2.589 2.846 254 HA PRO 32 HA PRO 32 12.454 8.528 0.830 255 HB2 PRO 32 HB2 PRO 32 14.808 8.283 -0.454 256 HB3 PRO 32 HB3 PRO 32 14.559 7.695 1.194 257 HG2 PRO 32 HG2 PRO 32 14.556 6.177 -1.381 258 HG3 PRO 32 HG3 PRO 32 15.288 5.745 0.174 259 HD2 PRO 32 HD2 PRO 32 12.907 4.749 -0.686 260 HD3 PRO 32 HD3 PRO 32 13.326 4.952 1.023 261 H PHE 33 H PHE 33 11.528 6.885 -1.979 262 HA PHE 33 HA PHE 33 12.350 8.953 -3.848 263 HB2 PHE 33 HB2 PHE 33 10.951 6.306 -4.230 264 HB3 PHE 33 HB3 PHE 33 11.252 7.434 -5.545 265 HD1 PHE 33 HD2 PHE 33 13.515 7.833 -6.342 266 HD2 PHE 33 HD1 PHE 33 12.719 4.985 -3.286 267 HE1 PHE 33 HE2 PHE 33 15.736 6.839 -6.694 268 HE2 PHE 33 HE1 PHE 33 14.937 3.987 -3.633 269 HZ PHE 33 HZ PHE 33 16.452 4.914 -5.338 270 H MET 34 H MET 34 9.450 7.826 -2.228 271 HA MET 34 HA MET 34 7.505 9.025 -3.919 272 HB2 MET 34 HB2 MET 34 7.315 8.336 -0.978 273 HB3 MET 34 HB3 MET 34 5.958 8.754 -2.006 274 HG2 MET 34 HG2 MET 34 6.230 6.754 -3.275 275 HG3 MET 34 HG3 MET 34 7.735 6.381 -2.434 276 HE1 MET 34 HE1 MET 34 5.583 4.171 -2.622 277 HE2 MET 34 HE2 MET 34 5.515 3.601 -0.953 278 HE3 MET 34 HE3 MET 34 7.069 4.010 -1.682 279 H ASP 35 H ASP 35 8.153 9.918 -0.587 280 HA ASP 35 HA ASP 35 8.520 12.671 -0.756 281 HB2 ASP 35 HB2 ASP 35 6.117 12.477 -1.695 282 HB3 ASP 35 HB3 ASP 35 5.646 11.903 -0.103 283 H GLU 36 H GLU 36 8.150 13.537 1.622 284 HA GLU 36 HA GLU 36 8.883 11.496 3.480 285 HB2 GLU 36 HB2 GLU 36 9.700 13.858 3.532 286 HB3 GLU 36 HB3 GLU 36 8.093 14.350 4.045 287 HG2 GLU 36 HG2 GLU 36 8.314 13.044 6.070 288 HG3 GLU 36 HG3 GLU 36 9.892 12.458 5.534 289 H ASP 37 H ASP 37 5.955 13.387 2.845 290 HA ASP 37 HA ASP 37 4.412 12.397 5.041 291 HB2 ASP 37 HB2 ASP 37 3.931 14.513 3.792 292 HB3 ASP 37 HB3 ASP 37 3.441 13.540 2.409 293 H MET 38 H MET 38 4.710 11.533 1.652 294 HA MET 38 HA MET 38 2.723 9.511 1.627 295 HB2 MET 38 HB2 MET 38 4.027 10.842 -0.305 296 HB3 MET 38 HB3 MET 38 4.965 9.355 -0.303 297 HG2 MET 38 HG2 MET 38 3.229 9.176 -1.939 298 HG3 MET 38 HG3 MET 38 2.882 8.070 -0.609 299 HE1 MET 38 HE1 MET 38 0.673 8.872 -2.765 300 HE2 MET 38 HE2 MET 38 -0.716 9.176 -1.719 301 HE3 MET 38 HE3 MET 38 0.349 7.810 -1.395 302 H ARG 39 H ARG 39 6.098 9.538 2.480 303 HA ARG 39 HA ARG 39 6.607 6.744 2.464 304 HB2 ARG 39 HB2 ARG 39 8.332 8.524 2.509 305 HB3 ARG 39 HB3 ARG 39 7.867 8.901 4.156 306 HG2 ARG 39 HG2 ARG 39 8.529 6.588 4.794 307 HG3 ARG 39 HG3 ARG 39 9.143 6.373 3.151 308 HD2 ARG 39 HD2 ARG 39 10.072 8.348 5.226 309 HD3 ARG 39 HD3 ARG 39 10.981 7.004 4.531 310 HE ARG 39 HE ARG 39 10.644 8.336 2.345 311 HH11 ARG 39 HH11 ARG 39 11.247 9.732 5.517 312 HH12 ARG 39 HH12 ARG 39 11.891 11.212 4.874 313 HH21 ARG 39 HH21 ARG 39 11.448 10.295 1.519 314 HH22 ARG 39 HH22 ARG 39 12.006 11.527 2.607 315 H GLU 40 H GLU 40 5.548 9.003 5.000 316 HA GLU 40 HA GLU 40 5.488 7.134 7.108 317 HB2 GLU 40 HB2 GLU 40 3.808 9.629 6.795 318 HB3 GLU 40 HB3 GLU 40 4.074 8.750 8.292 319 HG2 GLU 40 HG2 GLU 40 6.064 10.339 6.701 320 HG3 GLU 40 HG3 GLU 40 5.469 10.667 8.328 321 H LEU 41 H LEU 41 3.117 8.058 4.710 322 HA LEU 41 HA LEU 41 0.936 6.530 5.646 323 HB2 LEU 41 HB2 LEU 41 0.792 8.326 3.952 324 HB3 LEU 41 HB3 LEU 41 1.692 7.330 2.826 325 HG LEU 41 HG LEU 41 -0.163 5.681 2.852 326 HD11 LEU 41 HD11 LEU 41 -1.608 7.787 4.449 327 HD12 LEU 41 HD12 LEU 41 -1.084 6.212 5.049 328 HD13 LEU 41 HD13 LEU 41 -2.315 6.312 3.787 329 HD21 LEU 41 HD21 LEU 41 -1.708 7.033 1.520 330 HD22 LEU 41 HD22 LEU 41 -0.024 7.343 1.094 331 HD23 LEU 41 HD23 LEU 41 -0.909 8.497 2.092 332 H ALA 42 H ALA 42 3.523 5.871 3.339 333 HA ALA 42 HA ALA 42 2.670 3.437 2.322 334 HB1 ALA 42 HB1 ALA 42 4.355 4.897 1.332 335 HB2 ALA 42 HB2 ALA 42 4.923 3.234 1.486 336 HB3 ALA 42 HB3 ALA 42 5.476 4.461 2.625 337 H LYS 43 H LYS 43 4.787 4.064 5.088 338 HA LYS 43 HA LYS 43 5.524 1.371 5.564 339 HB2 LYS 43 HB2 LYS 43 5.528 3.805 7.347 340 HB3 LYS 43 HB3 LYS 43 6.165 2.246 7.849 341 HG2 LYS 43 HG2 LYS 43 7.814 2.317 6.067 342 HG3 LYS 43 HG3 LYS 43 7.139 3.838 5.482 343 HD2 LYS 43 HD2 LYS 43 8.267 3.475 8.252 344 HD3 LYS 43 HD3 LYS 43 9.220 4.045 6.882 345 HE2 LYS 43 HE2 LYS 43 7.729 5.946 6.617 346 HE3 LYS 43 HE3 LYS 43 6.717 5.355 7.933 347 HZ1 LYS 43 HZ1 LYS 43 8.287 7.146 8.560 348 HZ2 LYS 43 HZ2 LYS 43 9.572 6.079 8.255 349 HZ3 LYS 43 HZ3 LYS 43 8.451 5.729 9.475 350 H ARG 44 H ARG 44 2.847 3.349 6.667 351 HA ARG 44 HA ARG 44 1.879 1.457 8.593 352 HB2 ARG 44 HB2 ARG 44 0.551 3.861 7.323 353 HB3 ARG 44 HB3 ARG 44 -0.125 2.930 8.655 354 HG2 ARG 44 HG2 ARG 44 1.748 3.534 10.062 355 HG3 ARG 44 HG3 ARG 44 2.497 4.404 8.724 356 HD2 ARG 44 HD2 ARG 44 1.458 6.031 10.080 357 HD3 ARG 44 HD3 ARG 44 0.445 5.840 8.653 358 HE ARG 44 HE ARG 44 -0.702 4.154 10.421 359 HH11 ARG 44 HH11 ARG 44 0.208 7.534 10.581 360 HH12 ARG 44 HH12 ARG 44 -1.003 7.938 11.760 361 HH21 ARG 44 HH21 ARG 44 -2.293 4.687 11.982 362 HH22 ARG 44 HH22 ARG 44 -2.414 6.323 12.559 363 H THR 45 H THR 45 1.201 2.189 5.206 364 HA THR 45 HA THR 45 -1.095 0.577 4.884 365 HB THR 45 HB THR 45 0.927 1.151 2.703 366 HG1 THR 45 HG1 THR 45 -1.063 2.847 3.846 367 HG21 THR 45 HG21 THR 45 -1.033 1.156 1.254 368 HG22 THR 45 HG22 THR 45 -2.077 0.864 2.646 369 HG23 THR 45 HG23 THR 45 -0.921 -0.368 2.136 370 H LEU 46 H LEU 46 2.381 -0.115 4.635 371 HA LEU 46 HA LEU 46 2.264 -2.700 3.553 372 HB2 LEU 46 HB2 LEU 46 4.290 -1.406 5.358 373 HB3 LEU 46 HB3 LEU 46 4.494 -3.019 4.702 374 HG LEU 46 HG LEU 46 4.229 -0.493 3.079 375 HD11 LEU 46 HD11 LEU 46 6.329 -0.604 4.291 376 HD12 LEU 46 HD12 LEU 46 6.595 -0.886 2.569 377 HD13 LEU 46 HD13 LEU 46 6.602 -2.242 3.697 378 HD21 LEU 46 HD21 LEU 46 3.325 -2.447 1.918 379 HD22 LEU 46 HD22 LEU 46 4.816 -3.332 2.239 380 HD23 LEU 46 HD23 LEU 46 4.839 -1.919 1.183 381 H ALA 47 H ALA 47 1.916 -1.647 6.897 382 HA ALA 47 HA ALA 47 2.115 -4.240 8.072 383 HB1 ALA 47 HB1 ALA 47 2.511 -2.181 9.335 384 HB2 ALA 47 HB2 ALA 47 1.257 -3.171 10.084 385 HB3 ALA 47 HB3 ALA 47 0.812 -1.747 9.148 386 H LYS 48 H LYS 48 -0.390 -2.567 6.432 387 HA LYS 48 HA LYS 48 -2.544 -4.156 7.548 388 HB2 LYS 48 HB2 LYS 48 -2.544 -2.046 5.382 389 HB3 LYS 48 HB3 LYS 48 -3.978 -2.774 6.102 390 HG2 LYS 48 HG2 LYS 48 -3.587 -1.744 8.174 391 HG3 LYS 48 HG3 LYS 48 -1.930 -1.328 7.740 392 HD2 LYS 48 HD2 LYS 48 -2.803 0.219 6.027 393 HD3 LYS 48 HD3 LYS 48 -4.446 -0.146 6.570 394 HE2 LYS 48 HE2 LYS 48 -3.897 0.663 8.796 395 HE3 LYS 48 HE3 LYS 48 -2.249 1.009 8.276 396 HZ1 LYS 48 HZ1 LYS 48 -3.596 2.998 8.294 397 HZ2 LYS 48 HZ2 LYS 48 -4.709 2.294 7.231 398 HZ3 LYS 48 HZ3 LYS 48 -3.130 2.627 6.702 399 H ILE 49 H ILE 49 -0.518 -4.066 4.676 400 HA ILE 49 HA ILE 49 -2.289 -5.875 3.219 401 HB ILE 49 HB ILE 49 0.364 -4.782 2.251 402 HG12 ILE 49 HG12 ILE 49 -2.367 -3.637 1.673 403 HG13 ILE 49 HG13 ILE 49 -1.281 -2.979 2.895 404 HG21 ILE 49 HG21 ILE 49 -0.468 -6.668 0.974 405 HG22 ILE 49 HG22 ILE 49 -0.595 -5.185 0.025 406 HG23 ILE 49 HG23 ILE 49 -2.030 -5.877 0.784 407 HD11 ILE 49 HD11 ILE 49 -0.692 -3.206 -0.043 408 HD12 ILE 49 HD12 ILE 49 0.386 -2.541 1.185 409 HD13 ILE 49 HD13 ILE 49 -1.141 -1.734 0.821 410 H ALA 50 H ALA 50 0.688 -5.963 5.039 411 HA ALA 50 HA ALA 50 1.898 -8.280 4.166 412 HB1 ALA 50 HB1 ALA 50 1.748 -7.400 7.039 413 HB2 ALA 50 HB2 ALA 50 2.845 -6.737 5.828 414 HB3 ALA 50 HB3 ALA 50 2.982 -8.428 6.305 415 HA PRO 51 HA PRO 51 -0.815 -11.174 6.865 416 HB2 PRO 51 HB2 PRO 51 -3.077 -10.367 8.031 417 HB3 PRO 51 HB3 PRO 51 -1.501 -10.089 8.783 418 HG2 PRO 51 HG2 PRO 51 -3.168 -8.201 7.155 419 HG3 PRO 51 HG3 PRO 51 -2.383 -7.926 8.725 420 HD2 PRO 51 HD2 PRO 51 -1.275 -7.128 6.394 421 HD3 PRO 51 HD3 PRO 51 -0.311 -7.645 7.789 422 H LEU 52 H LEU 52 -1.844 -9.264 4.346 423 HA LEU 52 HA LEU 52 -4.310 -10.717 3.798 424 HB2 LEU 52 HB2 LEU 52 -2.857 -8.706 2.071 425 HB3 LEU 52 HB3 LEU 52 -4.461 -9.347 1.782 426 HG LEU 52 HG LEU 52 -3.656 -7.538 4.060 427 HD11 LEU 52 HD11 LEU 52 -5.072 -5.901 2.901 428 HD12 LEU 52 HD12 LEU 52 -5.299 -7.050 1.580 429 HD13 LEU 52 HD13 LEU 52 -3.693 -6.404 1.922 430 HD21 LEU 52 HD21 LEU 52 -6.046 -7.432 4.567 431 HD22 LEU 52 HD22 LEU 52 -5.438 -9.082 4.719 432 HD23 LEU 52 HD23 LEU 52 -6.372 -8.613 3.298 433 H THR 53 H THR 53 -4.524 -11.697 1.582 434 HA THR 53 HA THR 53 -2.041 -13.076 0.845 435 HB THR 53 HB THR 53 -3.475 -14.661 -0.397 436 HG1 THR 53 HG1 THR 53 -5.831 -13.912 0.772 437 HG21 THR 53 HG21 THR 53 -4.506 -15.751 1.537 438 HG22 THR 53 HG22 THR 53 -4.337 -14.266 2.472 439 HG23 THR 53 HG23 THR 53 -2.902 -15.136 1.937 440 H GLU 54 H GLU 54 -1.971 -13.620 -1.582 441 HA GLU 54 HA GLU 54 -1.812 -11.245 -3.114 442 HB2 GLU 54 HB2 GLU 54 -0.358 -13.172 -3.517 443 HB3 GLU 54 HB3 GLU 54 -1.739 -14.169 -3.943 444 HG2 GLU 54 HG2 GLU 54 -0.568 -13.561 -5.920 445 HG3 GLU 54 HG3 GLU 54 -2.115 -12.725 -5.913 446 H ASN 55 H ASN 55 -4.213 -13.812 -2.860 447 HA ASN 55 HA ASN 55 -5.877 -12.887 -4.994 448 HB2 ASN 55 HB2 ASN 55 -6.397 -14.828 -2.743 449 HB3 ASN 55 HB3 ASN 55 -7.596 -14.430 -3.966 450 HD21 ASN 55 HD21 ASN 55 -4.692 -16.125 -3.242 451 HD22 ASN 55 HD22 ASN 55 -4.576 -16.996 -4.733 452 H GLU 56 H GLU 56 -5.729 -12.248 -1.527 453 HA GLU 56 HA GLU 56 -8.285 -11.056 -1.239 454 HB2 GLU 56 HB2 GLU 56 -6.955 -11.837 0.666 455 HB3 GLU 56 HB3 GLU 56 -5.741 -10.617 0.333 456 HG2 GLU 56 HG2 GLU 56 -7.015 -9.881 2.183 457 HG3 GLU 56 HG3 GLU 56 -7.443 -8.877 0.801 458 H TYR 57 H TYR 57 -5.138 -9.716 -2.132 459 HA TYR 57 HA TYR 57 -5.968 -6.997 -2.175 460 HB2 TYR 57 HB2 TYR 57 -3.585 -7.823 -2.080 461 HB3 TYR 57 HB3 TYR 57 -3.733 -8.243 -3.782 462 HD1 TYR 57 HD1 TYR 57 -3.561 -5.467 -1.370 463 HD2 TYR 57 HD2 TYR 57 -3.678 -6.543 -5.489 464 HE1 TYR 57 HE1 TYR 57 -2.929 -3.178 -1.988 465 HE2 TYR 57 HE2 TYR 57 -3.045 -4.255 -6.113 466 HH TYR 57 HH TYR 57 -3.088 -2.038 -5.218 467 H ALA 58 H ALA 58 -6.046 -9.624 -4.503 468 HA ALA 58 HA ALA 58 -6.756 -8.005 -6.754 469 HB1 ALA 58 HB1 ALA 58 -5.590 -10.133 -7.000 470 HB2 ALA 58 HB2 ALA 58 -7.103 -10.108 -7.903 471 HB3 ALA 58 HB3 ALA 58 -7.005 -10.983 -6.375 472 H GLU 59 H GLU 59 -8.554 -9.575 -4.192 473 HA GLU 59 HA GLU 59 -11.138 -9.373 -5.344 474 HB2 GLU 59 HB2 GLU 59 -10.410 -9.158 -2.413 475 HB3 GLU 59 HB3 GLU 59 -12.011 -9.475 -3.055 476 HG2 GLU 59 HG2 GLU 59 -9.615 -11.282 -3.222 477 HG3 GLU 59 HG3 GLU 59 -11.022 -11.496 -2.181 478 H LEU 60 H LEU 60 -9.119 -7.174 -3.492 479 HA LEU 60 HA LEU 60 -11.027 -5.067 -3.281 480 HB2 LEU 60 HB2 LEU 60 -8.010 -4.970 -3.069 481 HB3 LEU 60 HB3 LEU 60 -9.111 -3.700 -2.573 482 HG LEU 60 HG LEU 60 -9.037 -6.454 -1.320 483 HD11 LEU 60 HD11 LEU 60 -7.865 -3.846 -0.355 484 HD12 LEU 60 HD12 LEU 60 -6.949 -5.238 -0.930 485 HD13 LEU 60 HD13 LEU 60 -7.901 -5.359 0.550 486 HD21 LEU 60 HD21 LEU 60 -10.365 -5.385 0.441 487 HD22 LEU 60 HD22 LEU 60 -11.192 -5.319 -1.114 488 HD23 LEU 60 HD23 LEU 60 -10.385 -3.883 -0.483 489 H ALA 61 H ALA 61 -8.086 -5.454 -5.231 490 HA ALA 61 HA ALA 61 -7.335 -4.621 -7.187 491 HB1 ALA 61 HB1 ALA 61 -8.889 -4.417 -9.031 492 HB2 ALA 61 HB2 ALA 61 -10.248 -4.363 -7.908 493 HB3 ALA 61 HB3 ALA 61 -9.287 -5.835 -8.058 494 H ILE 62 H ILE 62 -7.913 -2.734 -4.979 495 HA ILE 62 HA ILE 62 -8.293 -0.616 -4.372 496 HB ILE 62 HB ILE 62 -7.227 0.107 -7.119 497 HG12 ILE 62 HG12 ILE 62 -5.216 0.722 -5.430 498 HG13 ILE 62 HG13 ILE 62 -5.917 -0.631 -4.555 499 HG21 ILE 62 HG21 ILE 62 -7.484 1.802 -4.638 500 HG22 ILE 62 HG22 ILE 62 -8.424 1.971 -6.121 501 HG23 ILE 62 HG23 ILE 62 -6.688 2.289 -6.136 502 HD11 ILE 62 HD11 ILE 62 -5.624 -2.048 -6.525 503 HD12 ILE 62 HD12 ILE 62 -4.097 -1.365 -5.965 504 HD13 ILE 62 HD13 ILE 62 -4.898 -0.689 -7.385 505 H PHE 63 H PHE 63 -10.492 -0.823 -4.140 506 HA PHE 63 HA PHE 63 -12.399 -0.396 -6.197 507 HB2 PHE 63 HB2 PHE 63 -12.623 -0.145 -3.194 508 HB3 PHE 63 HB3 PHE 63 -13.982 0.080 -4.282 509 HD1 PHE 63 HD2 PHE 63 -14.256 -1.977 -6.023 510 HD2 PHE 63 HD1 PHE 63 -12.441 -2.156 -2.175 511 HE1 PHE 63 HE2 PHE 63 -14.752 -4.385 -5.901 512 HE2 PHE 63 HE1 PHE 63 -12.939 -4.557 -2.050 513 HZ PHE 63 HZ PHE 63 -14.096 -5.672 -3.908 514 H ALA 64 H ALA 64 -10.856 1.742 -3.874 515 HA ALA 64 HA ALA 64 -12.300 4.017 -5.033 516 HB1 ALA 64 HB1 ALA 64 -12.342 5.011 -2.833 517 HB2 ALA 64 HB2 ALA 64 -11.442 3.641 -2.180 518 HB3 ALA 64 HB3 ALA 64 -13.085 3.410 -2.788 519 H ALA 65 H ALA 65 -10.790 4.893 -6.321 520 HA ALA 65 HA ALA 65 -8.642 6.268 -4.894 521 HB1 ALA 65 HB1 ALA 65 -8.260 4.899 -7.560 522 HB2 ALA 65 HB2 ALA 65 -7.571 4.371 -6.024 523 HB3 ALA 65 HB3 ALA 65 -7.071 5.908 -6.734 524 H ASP 66 H ASP 66 -11.381 6.475 -6.590 525 HA ASP 66 HA ASP 66 -10.505 8.517 -8.488 526 HB2 ASP 66 HB2 ASP 66 -11.672 6.615 -9.462 527 HB3 ASP 66 HB3 ASP 66 -13.036 6.859 -8.381 528 H GLU 67 H GLU 67 -12.627 8.029 -5.753 529 HA GLU 67 HA GLU 67 -13.948 10.567 -6.094 530 HB2 GLU 67 HB2 GLU 67 -14.697 9.921 -3.609 531 HB3 GLU 67 HB3 GLU 67 -15.464 9.277 -5.045 532 HG2 GLU 67 HG2 GLU 67 -15.120 7.533 -3.417 533 HG3 GLU 67 HG3 GLU 67 -14.141 7.232 -4.848 534 H VAL 68 H VAL 68 -11.065 9.501 -4.549 535 HA VAL 68 HA VAL 68 -10.812 11.952 -3.015 536 HB VAL 68 HB VAL 68 -8.435 11.126 -2.594 537 HG11 VAL 68 HG11 VAL 68 -9.204 9.522 -0.908 538 HG12 VAL 68 HG12 VAL 68 -10.778 9.456 -1.701 539 HG13 VAL 68 HG13 VAL 68 -10.225 10.960 -0.962 540 HG21 VAL 68 HG21 VAL 68 -8.062 8.722 -2.924 541 HG22 VAL 68 HG22 VAL 68 -8.251 9.570 -4.459 542 HG23 VAL 68 HG23 VAL 68 -9.584 8.613 -3.809 543 H LEU 69 H LEU 69 -10.611 11.333 -6.203 544 HA LEU 69 HA LEU 69 -8.435 13.195 -6.745 545 HB2 LEU 69 HB2 LEU 69 -10.305 11.770 -8.635 546 HB3 LEU 69 HB3 LEU 69 -8.954 12.777 -9.121 547 HG LEU 69 HG LEU 69 -8.723 10.214 -7.543 548 HD11 LEU 69 HD11 LEU 69 -7.828 9.255 -9.592 549 HD12 LEU 69 HD12 LEU 69 -8.153 10.762 -10.448 550 HD13 LEU 69 HD13 LEU 69 -9.489 9.802 -9.812 551 HD21 LEU 69 HD21 LEU 69 -6.602 11.958 -8.797 552 HD22 LEU 69 HD22 LEU 69 -6.329 10.397 -8.020 553 HD23 LEU 69 HD23 LEU 69 -6.907 11.767 -7.069 554 H GLU 70 H GLU 70 -11.501 13.500 -5.732 555 HA GLU 70 HA GLU 70 -12.443 15.744 -7.219 556 HB2 GLU 70 HB2 GLU 70 -13.933 14.379 -5.847 557 HB3 GLU 70 HB3 GLU 70 -13.014 14.764 -4.405 558 HG2 GLU 70 HG2 GLU 70 -15.046 16.007 -4.377 559 HG3 GLU 70 HG3 GLU 70 -13.712 17.125 -4.641 560 H HIS 71 H HIS 71 -10.337 15.255 -4.477 561 HA HIS 71 HA HIS 71 -9.889 17.861 -3.579 562 HB2 HIS 71 HB2 HIS 71 -9.140 15.717 -2.498 563 HB3 HIS 71 HB3 HIS 71 -7.899 15.581 -3.736 564 HD1 HIS 71 HD1 HIS 71 -8.821 17.539 -0.674 565 HD2 HIS 71 HD2 HIS 71 -5.627 17.140 -3.311 566 HE1 HIS 71 HE1 HIS 71 -6.911 18.785 0.379 567 HE2 HIS 71 HE2 HIS 71 -4.975 18.503 -1.216 568 H HIS 72 H HIS 72 -9.016 19.561 -4.536 569 HA HIS 72 HA HIS 72 -7.844 19.404 -7.158 570 HB2 HIS 72 HB2 HIS 72 -8.182 21.737 -5.258 571 HB3 HIS 72 HB3 HIS 72 -7.548 21.885 -6.891 572 HD1 HIS 72 HD1 HIS 72 -10.371 22.914 -5.402 573 HD2 HIS 72 HD2 HIS 72 -9.831 20.201 -8.507 574 HE1 HIS 72 HE1 HIS 72 -12.556 22.858 -6.643 575 HE2 HIS 72 HE2 HIS 72 -12.249 21.117 -8.435 576 H HIS 73 H HIS 73 -5.777 19.897 -7.762 577 HA HIS 73 HA HIS 73 -3.525 19.877 -7.752 578 HB2 HIS 73 HB2 HIS 73 -3.672 20.553 -4.811 579 HB3 HIS 73 HB3 HIS 73 -2.196 20.501 -5.763 580 HD1 HIS 73 HD1 HIS 73 -4.737 22.775 -4.620 581 HD2 HIS 73 HD2 HIS 73 -2.292 22.501 -7.966 582 HE1 HIS 73 HE1 HIS 73 -4.723 25.069 -5.629 583 HE2 HIS 73 HE2 HIS 73 -3.388 24.830 -7.749 584 H HIS 74 H HIS 74 -2.612 18.054 -8.148 585 HA HIS 74 HA HIS 74 -3.033 15.755 -6.403 586 HB2 HIS 74 HB2 HIS 74 -1.744 16.035 -9.119 587 HB3 HIS 74 HB3 HIS 74 -1.749 14.528 -8.214 588 HD1 HIS 74 HD1 HIS 74 -3.138 15.183 -11.048 589 HD2 HIS 74 HD2 HIS 74 -5.021 14.743 -7.365 590 HE1 HIS 74 HE1 HIS 74 -5.500 14.514 -11.572 591 HE2 HIS 74 HE2 HIS 74 -6.660 14.402 -9.341 592 H HIS 75 H HIS 75 -0.997 14.263 -6.332 593 HA HIS 75 HA HIS 75 1.347 15.856 -5.541 594 HB2 HIS 75 HB2 HIS 75 1.732 14.024 -3.765 595 HB3 HIS 75 HB3 HIS 75 0.477 15.204 -3.447 596 HD1 HIS 75 HD1 HIS 75 -1.920 14.359 -3.233 597 HD2 HIS 75 HD2 HIS 75 0.789 11.377 -4.261 598 HE1 HIS 75 HE1 HIS 75 -3.180 12.204 -3.034 599 HE2 HIS 75 HE2 HIS 75 -1.562 10.420 -3.764 600 H HIS 76 H HIS 76 1.190 15.021 -8.026 601 HA HIS 76 HA HIS 76 2.204 13.953 -9.729 602 HB2 HIS 76 HB2 HIS 76 4.271 14.456 -8.409 603 HB3 HIS 76 HB3 HIS 76 4.142 12.877 -7.660 604 HD1 HIS 76 HD1 HIS 76 5.329 14.602 -10.713 605 HD2 HIS 76 HD2 HIS 76 4.796 10.696 -9.387 606 HE1 HIS 76 HE1 HIS 76 6.642 13.163 -12.297 607 HE2 HIS 76 HE2 HIS 76 6.388 10.816 -11.415 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -11.394 -9.724 3.685 2 H2 MET 1 H2 MET 1 -11.815 -8.986 5.150 3 H3 MET 1 H3 MET 1 -10.181 -9.206 4.755 4 HA MET 1 HA MET 1 -10.408 -7.688 2.897 5 HB2 MET 1 HB2 MET 1 -12.776 -8.081 2.430 6 HB3 MET 1 HB3 MET 1 -13.223 -7.388 3.980 7 HG2 MET 1 HG2 MET 1 -12.449 -5.210 3.259 8 HG3 MET 1 HG3 MET 1 -11.902 -5.891 1.727 9 HE1 MET 1 HE1 MET 1 -14.951 -3.727 0.637 10 HE2 MET 1 HE2 MET 1 -13.233 -4.059 0.412 11 HE3 MET 1 HE3 MET 1 -13.804 -3.352 1.923 12 H ILE 2 H ILE 2 -8.960 -6.293 3.710 13 HA ILE 2 HA ILE 2 -9.366 -5.038 6.271 14 HB ILE 2 HB ILE 2 -7.308 -3.727 5.752 15 HG12 ILE 2 HG12 ILE 2 -7.124 -5.466 3.277 16 HG13 ILE 2 HG13 ILE 2 -7.578 -3.767 3.255 17 HG21 ILE 2 HG21 ILE 2 -7.078 -6.718 5.459 18 HG22 ILE 2 HG22 ILE 2 -7.187 -5.819 6.972 19 HG23 ILE 2 HG23 ILE 2 -5.772 -5.631 5.936 20 HD11 ILE 2 HD11 ILE 2 -5.254 -4.071 2.633 21 HD12 ILE 2 HD12 ILE 2 -4.935 -4.879 4.168 22 HD13 ILE 2 HD13 ILE 2 -5.384 -3.173 4.146 23 H ARG 3 H ARG 3 -10.128 -3.027 6.671 24 HA ARG 3 HA ARG 3 -11.383 -1.700 4.388 25 HB2 ARG 3 HB2 ARG 3 -12.452 -2.378 6.785 26 HB3 ARG 3 HB3 ARG 3 -11.941 -0.733 7.129 27 HG2 ARG 3 HG2 ARG 3 -13.770 -1.561 4.873 28 HG3 ARG 3 HG3 ARG 3 -14.290 -0.867 6.407 29 HD2 ARG 3 HD2 ARG 3 -12.974 1.172 5.873 30 HD3 ARG 3 HD3 ARG 3 -12.588 0.468 4.302 31 HE ARG 3 HE ARG 3 -15.407 0.637 4.893 32 HH11 ARG 3 HH11 ARG 3 -12.663 2.239 3.384 33 HH12 ARG 3 HH12 ARG 3 -13.665 3.296 2.436 34 HH21 ARG 3 HH21 ARG 3 -16.682 2.029 3.649 35 HH22 ARG 3 HH22 ARG 3 -15.932 3.166 2.571 36 H LEU 4 H LEU 4 -9.831 -0.515 3.501 37 HA LEU 4 HA LEU 4 -8.273 1.339 5.141 38 HB2 LEU 4 HB2 LEU 4 -8.066 0.674 2.201 39 HB3 LEU 4 HB3 LEU 4 -6.969 1.709 3.091 40 HG LEU 4 HG LEU 4 -7.337 -1.246 3.616 41 HD11 LEU 4 HD11 LEU 4 -5.172 -1.507 2.528 42 HD12 LEU 4 HD12 LEU 4 -5.153 0.215 2.143 43 HD13 LEU 4 HD13 LEU 4 -6.369 -0.839 1.420 44 HD21 LEU 4 HD21 LEU 4 -5.273 0.715 4.622 45 HD22 LEU 4 HD22 LEU 4 -5.298 -1.018 4.947 46 HD23 LEU 4 HD23 LEU 4 -6.583 0.016 5.575 47 H THR 5 H THR 5 -8.081 3.582 4.362 48 HA THR 5 HA THR 5 -10.643 4.502 3.264 49 HB THR 5 HB THR 5 -9.928 5.422 5.491 50 HG1 THR 5 HG1 THR 5 -10.537 7.547 4.978 51 HG21 THR 5 HG21 THR 5 -7.531 5.645 5.120 52 HG22 THR 5 HG22 THR 5 -8.247 7.190 5.581 53 HG23 THR 5 HG23 THR 5 -7.826 6.880 3.895 54 H ILE 6 H ILE 6 -9.938 6.916 2.181 55 HA ILE 6 HA ILE 6 -9.276 6.053 -0.412 56 HB ILE 6 HB ILE 6 -9.459 8.908 0.581 57 HG12 ILE 6 HG12 ILE 6 -11.795 8.429 -0.741 58 HG13 ILE 6 HG13 ILE 6 -11.509 6.863 0.008 59 HG21 ILE 6 HG21 ILE 6 -10.046 9.468 -1.734 60 HG22 ILE 6 HG22 ILE 6 -9.756 7.793 -2.208 61 HG23 ILE 6 HG23 ILE 6 -8.425 8.786 -1.614 62 HD11 ILE 6 HD11 ILE 6 -11.681 9.503 1.432 63 HD12 ILE 6 HD12 ILE 6 -11.375 7.941 2.190 64 HD13 ILE 6 HD13 ILE 6 -12.920 8.249 1.397 65 H GLU 7 H GLU 7 -7.328 7.529 2.084 66 HA GLU 7 HA GLU 7 -5.174 8.390 0.475 67 HB2 GLU 7 HB2 GLU 7 -5.428 7.766 3.401 68 HB3 GLU 7 HB3 GLU 7 -3.868 8.164 2.699 69 HG2 GLU 7 HG2 GLU 7 -4.849 10.129 3.690 70 HG3 GLU 7 HG3 GLU 7 -4.760 10.318 1.942 71 H GLU 8 H GLU 8 -5.680 5.386 2.307 72 HA GLU 8 HA GLU 8 -3.201 4.213 1.586 73 HB2 GLU 8 HB2 GLU 8 -5.759 2.906 2.500 74 HB3 GLU 8 HB3 GLU 8 -4.244 2.056 2.269 75 HG2 GLU 8 HG2 GLU 8 -4.208 2.381 4.508 76 HG3 GLU 8 HG3 GLU 8 -3.342 3.818 3.974 77 H THR 9 H THR 9 -6.416 4.129 0.137 78 HA THR 9 HA THR 9 -5.801 2.050 -1.726 79 HB THR 9 HB THR 9 -8.044 4.050 -2.013 80 HG1 THR 9 HG1 THR 9 -8.168 3.190 0.092 81 HG21 THR 9 HG21 THR 9 -9.191 2.150 -3.059 82 HG22 THR 9 HG22 THR 9 -7.760 1.147 -2.810 83 HG23 THR 9 HG23 THR 9 -7.688 2.533 -3.898 84 H ASN 10 H ASN 10 -5.594 5.567 -1.790 85 HA ASN 10 HA ASN 10 -4.987 5.855 -4.557 86 HB2 ASN 10 HB2 ASN 10 -5.719 7.730 -3.092 87 HB3 ASN 10 HB3 ASN 10 -4.187 7.642 -2.241 88 HD21 ASN 10 HD21 ASN 10 -3.567 9.693 -2.730 89 HD22 ASN 10 HD22 ASN 10 -3.119 10.191 -4.327 90 H LEU 11 H LEU 11 -3.051 5.248 -1.680 91 HA LEU 11 HA LEU 11 -0.482 5.356 -2.885 92 HB2 LEU 11 HB2 LEU 11 -0.824 5.436 -0.466 93 HB3 LEU 11 HB3 LEU 11 -1.471 3.805 -0.485 94 HG LEU 11 HG LEU 11 0.846 3.161 -1.463 95 HD11 LEU 11 HD11 LEU 11 1.490 5.781 -0.137 96 HD12 LEU 11 HD12 LEU 11 1.667 5.396 -1.851 97 HD13 LEU 11 HD13 LEU 11 2.668 4.575 -0.653 98 HD21 LEU 11 HD21 LEU 11 0.494 3.983 1.400 99 HD22 LEU 11 HD22 LEU 11 1.711 2.865 0.785 100 HD23 LEU 11 HD23 LEU 11 -0.002 2.451 0.682 101 H LEU 12 H LEU 12 -2.806 2.728 -2.345 102 HA LEU 12 HA LEU 12 -1.355 0.586 -3.436 103 HB2 LEU 12 HB2 LEU 12 -4.345 1.041 -3.520 104 HB3 LEU 12 HB3 LEU 12 -3.543 -0.482 -3.828 105 HG LEU 12 HG LEU 12 -3.620 0.976 -1.188 106 HD11 LEU 12 HD11 LEU 12 -5.755 -0.007 -1.799 107 HD12 LEU 12 HD12 LEU 12 -5.011 -0.900 -0.472 108 HD13 LEU 12 HD13 LEU 12 -4.970 -1.556 -2.109 109 HD21 LEU 12 HD21 LEU 12 -2.425 -1.702 -1.885 110 HD22 LEU 12 HD22 LEU 12 -2.569 -1.023 -0.261 111 HD23 LEU 12 HD23 LEU 12 -1.529 -0.245 -1.455 112 H SER 13 H SER 13 -3.395 3.022 -4.920 113 HA SER 13 HA SER 13 -3.602 1.958 -7.505 114 HB2 SER 13 HB2 SER 13 -5.044 3.730 -6.482 115 HB3 SER 13 HB3 SER 13 -3.715 4.867 -6.676 116 HG SER 13 HG SER 13 -4.770 3.397 -8.849 117 H ILE 14 H ILE 14 -1.134 3.978 -6.015 118 HA ILE 14 HA ILE 14 0.171 4.686 -8.458 119 HB ILE 14 HB ILE 14 1.155 4.836 -5.595 120 HG12 ILE 14 HG12 ILE 14 0.069 7.012 -7.401 121 HG13 ILE 14 HG13 ILE 14 -0.867 6.194 -6.157 122 HG21 ILE 14 HG21 ILE 14 2.321 6.133 -8.066 123 HG22 ILE 14 HG22 ILE 14 3.044 4.812 -7.148 124 HG23 ILE 14 HG23 ILE 14 2.855 6.400 -6.405 125 HD11 ILE 14 HD11 ILE 14 -0.091 8.367 -5.407 126 HD12 ILE 14 HD12 ILE 14 1.580 7.883 -5.693 127 HD13 ILE 14 HD13 ILE 14 0.628 7.074 -4.449 128 H TYR 15 H TYR 15 0.650 2.120 -6.036 129 HA TYR 15 HA TYR 15 3.116 1.336 -7.445 130 HB2 TYR 15 HB2 TYR 15 2.321 0.910 -4.558 131 HB3 TYR 15 HB3 TYR 15 3.812 0.324 -5.287 132 HD1 TYR 15 HD2 TYR 15 5.343 2.134 -6.365 133 HD2 TYR 15 HD1 TYR 15 2.289 2.996 -3.539 134 HE1 TYR 15 HE2 TYR 15 6.435 4.272 -5.855 135 HE2 TYR 15 HE1 TYR 15 3.369 5.139 -3.019 136 HH TYR 15 HH TYR 15 5.820 6.472 -4.945 137 H ASN 16 H ASN 16 0.272 0.387 -7.989 138 HA ASN 16 HA ASN 16 0.333 -2.395 -7.151 139 HB2 ASN 16 HB2 ASN 16 -1.789 -1.071 -7.164 140 HB3 ASN 16 HB3 ASN 16 -1.697 -1.009 -8.917 141 HD21 ASN 16 HD21 ASN 16 -3.721 -2.008 -9.000 142 HD22 ASN 16 HD22 ASN 16 -3.913 -3.709 -8.731 143 H GLU 17 H GLU 17 1.510 -3.785 -8.207 144 HA GLU 17 HA GLU 17 1.931 -3.538 -11.089 145 HB2 GLU 17 HB2 GLU 17 3.150 -5.425 -9.073 146 HB3 GLU 17 HB3 GLU 17 3.584 -5.349 -10.775 147 HG2 GLU 17 HG2 GLU 17 3.851 -3.025 -8.906 148 HG3 GLU 17 HG3 GLU 17 5.130 -4.211 -9.161 149 H GLY 18 H GLY 18 -0.439 -4.728 -9.362 150 HA2 GLY 18 HA2 GLY 18 -2.139 -6.160 -10.218 151 HA3 GLY 18 HA3 GLY 18 -0.909 -7.041 -11.118 152 H GLY 19 H GLY 19 -1.329 -6.084 -7.728 153 HA2 GLY 19 HA2 GLY 19 -1.905 -8.189 -6.307 154 HA3 GLY 19 HA3 GLY 19 -0.354 -8.738 -6.927 155 H LYS 20 H LYS 20 -0.671 -8.598 -4.267 156 HA LYS 20 HA LYS 20 0.082 -6.040 -3.194 157 HB2 LYS 20 HB2 LYS 20 0.158 -7.186 -1.019 158 HB3 LYS 20 HB3 LYS 20 -1.331 -7.474 -1.884 159 HG2 LYS 20 HG2 LYS 20 -0.888 -9.529 -0.973 160 HG3 LYS 20 HG3 LYS 20 -0.235 -9.697 -2.599 161 HD2 LYS 20 HD2 LYS 20 1.337 -10.652 -1.117 162 HD3 LYS 20 HD3 LYS 20 2.021 -9.127 -1.650 163 HE2 LYS 20 HE2 LYS 20 2.463 -9.071 0.609 164 HE3 LYS 20 HE3 LYS 20 0.932 -8.199 0.524 165 HZ1 LYS 20 HZ1 LYS 20 0.884 -9.784 2.306 166 HZ2 LYS 20 HZ2 LYS 20 1.297 -11.047 1.257 167 HZ3 LYS 20 HZ3 LYS 20 -0.199 -10.272 1.105 168 H ARG 21 H ARG 21 1.757 -8.718 -4.437 169 HA ARG 21 HA ARG 21 4.222 -8.447 -3.109 170 HB2 ARG 21 HB2 ARG 21 3.680 -10.447 -4.396 171 HB3 ARG 21 HB3 ARG 21 3.606 -9.503 -5.875 172 HG2 ARG 21 HG2 ARG 21 5.921 -9.151 -5.901 173 HG3 ARG 21 HG3 ARG 21 6.102 -9.654 -4.223 174 HD2 ARG 21 HD2 ARG 21 5.229 -11.478 -6.454 175 HD3 ARG 21 HD3 ARG 21 6.897 -11.320 -5.899 176 HE ARG 21 HE ARG 21 4.677 -12.568 -4.464 177 HH11 ARG 21 HH11 ARG 21 8.067 -11.620 -4.444 178 HH12 ARG 21 HH12 ARG 21 8.469 -12.685 -3.131 179 HH21 ARG 21 HH21 ARG 21 5.223 -13.908 -2.719 180 HH22 ARG 21 HH22 ARG 21 6.863 -13.964 -2.139 181 H GLY 22 H GLY 22 2.983 -7.070 -6.137 182 HA2 GLY 22 HA2 GLY 22 5.161 -5.452 -6.797 183 HA3 GLY 22 HA3 GLY 22 3.497 -5.143 -7.254 184 H LEU 23 H LEU 23 2.565 -4.879 -4.516 185 HA LEU 23 HA LEU 23 3.080 -2.146 -4.012 186 HB2 LEU 23 HB2 LEU 23 1.593 -4.321 -2.653 187 HB3 LEU 23 HB3 LEU 23 2.087 -2.973 -1.648 188 HG LEU 23 HG LEU 23 -0.193 -2.674 -2.442 189 HD11 LEU 23 HD11 LEU 23 1.731 -0.745 -3.731 190 HD12 LEU 23 HD12 LEU 23 1.151 -0.686 -2.067 191 HD13 LEU 23 HD13 LEU 23 0.026 -0.434 -3.402 192 HD21 LEU 23 HD21 LEU 23 -0.675 -2.315 -4.810 193 HD22 LEU 23 HD22 LEU 23 -0.055 -3.939 -4.515 194 HD23 LEU 23 HD23 LEU 23 0.998 -2.706 -5.210 195 H MET 24 H MET 24 4.319 -5.099 -2.486 196 HA MET 24 HA MET 24 5.785 -3.678 -0.495 197 HB2 MET 24 HB2 MET 24 5.691 -6.549 -1.347 198 HB3 MET 24 HB3 MET 24 6.879 -5.991 -0.174 199 HG2 MET 24 HG2 MET 24 5.078 -5.165 1.252 200 HG3 MET 24 HG3 MET 24 3.895 -5.723 0.073 201 HE1 MET 24 HE1 MET 24 2.759 -6.862 2.249 202 HE2 MET 24 HE2 MET 24 4.119 -6.390 3.265 203 HE3 MET 24 HE3 MET 24 3.575 -8.066 3.247 204 H GLU 25 H GLU 25 6.652 -5.082 -3.653 205 HA GLU 25 HA GLU 25 9.425 -4.590 -3.490 206 HB2 GLU 25 HB2 GLU 25 7.672 -4.521 -5.963 207 HB3 GLU 25 HB3 GLU 25 9.420 -4.680 -5.945 208 HG2 GLU 25 HG2 GLU 25 7.412 -6.673 -4.946 209 HG3 GLU 25 HG3 GLU 25 8.411 -6.800 -6.391 210 H ASN 26 H ASN 26 6.789 -2.623 -4.818 211 HA ASN 26 HA ASN 26 8.475 -0.558 -5.771 212 HB2 ASN 26 HB2 ASN 26 5.575 -1.005 -5.553 213 HB3 ASN 26 HB3 ASN 26 6.098 0.671 -5.622 214 HD21 ASN 26 HD21 ASN 26 5.873 -2.329 -7.314 215 HD22 ASN 26 HD22 ASN 26 6.280 -1.699 -8.875 216 H ILE 27 H ILE 27 6.500 -0.840 -2.828 217 HA ILE 27 HA ILE 27 6.978 1.831 -2.018 218 HB ILE 27 HB ILE 27 5.875 -0.566 -0.589 219 HG12 ILE 27 HG12 ILE 27 4.693 2.131 -1.294 220 HG13 ILE 27 HG13 ILE 27 4.524 0.681 -2.274 221 HG21 ILE 27 HG21 ILE 27 6.317 2.148 0.657 222 HG22 ILE 27 HG22 ILE 27 7.112 0.646 1.125 223 HG23 ILE 27 HG23 ILE 27 5.375 0.836 1.362 224 HD11 ILE 27 HD11 ILE 27 2.526 1.122 -0.964 225 HD12 ILE 27 HD12 ILE 27 3.472 1.048 0.523 226 HD13 ILE 27 HD13 ILE 27 3.285 -0.394 -0.473 227 H ASN 28 H ASN 28 8.554 -1.247 -1.056 228 HA ASN 28 HA ASN 28 10.159 -0.037 0.947 229 HB2 ASN 28 HB2 ASN 28 10.204 -2.687 -0.404 230 HB3 ASN 28 HB3 ASN 28 11.590 -2.205 0.558 231 HD21 ASN 28 HD21 ASN 28 8.317 -3.225 0.570 232 HD22 ASN 28 HD22 ASN 28 8.143 -3.389 2.288 233 H ALA 29 H ALA 29 10.693 -0.490 -2.489 234 HA ALA 29 HA ALA 29 13.484 0.260 -2.335 235 HB1 ALA 29 HB1 ALA 29 11.692 0.003 -4.747 236 HB2 ALA 29 HB2 ALA 29 12.701 -1.278 -4.072 237 HB3 ALA 29 HB3 ALA 29 13.446 0.164 -4.765 238 H ALA 30 H ALA 30 10.424 1.844 -3.093 239 HA ALA 30 HA ALA 30 11.843 4.283 -3.859 240 HB1 ALA 30 HB1 ALA 30 10.141 3.461 -5.419 241 HB2 ALA 30 HB2 ALA 30 9.732 5.057 -4.788 242 HB3 ALA 30 HB3 ALA 30 8.915 3.625 -4.161 243 H LEU 31 H LEU 31 11.241 3.221 -0.984 244 HA LEU 31 HA LEU 31 9.617 5.051 0.339 245 HB2 LEU 31 HB2 LEU 31 12.053 3.550 1.249 246 HB3 LEU 31 HB3 LEU 31 11.238 4.672 2.317 247 HG LEU 31 HG LEU 31 9.912 2.277 1.049 248 HD11 LEU 31 HD11 LEU 31 10.991 2.619 3.842 249 HD12 LEU 31 HD12 LEU 31 11.692 1.600 2.585 250 HD13 LEU 31 HD13 LEU 31 10.095 1.227 3.232 251 HD21 LEU 31 HD21 LEU 31 9.040 4.114 3.280 252 HD22 LEU 31 HD22 LEU 31 8.164 2.695 2.704 253 HD23 LEU 31 HD23 LEU 31 8.380 4.087 1.644 254 HA PRO 32 HA PRO 32 13.324 8.201 0.755 255 HB2 PRO 32 HB2 PRO 32 15.383 7.948 -1.011 256 HB3 PRO 32 HB3 PRO 32 15.409 7.283 0.626 257 HG2 PRO 32 HG2 PRO 32 14.783 5.917 -1.964 258 HG3 PRO 32 HG3 PRO 32 15.805 5.367 -0.620 259 HD2 PRO 32 HD2 PRO 32 13.306 4.465 -0.929 260 HD3 PRO 32 HD3 PRO 32 13.998 4.763 0.677 261 H PHE 33 H PHE 33 12.057 6.915 -2.174 262 HA PHE 33 HA PHE 33 12.435 9.361 -3.708 263 HB2 PHE 33 HB2 PHE 33 11.132 6.732 -4.446 264 HB3 PHE 33 HB3 PHE 33 11.358 8.085 -5.549 265 HD1 PHE 33 HD2 PHE 33 13.628 8.724 -6.271 266 HD2 PHE 33 HD1 PHE 33 12.923 5.252 -3.915 267 HE1 PHE 33 HE2 PHE 33 15.854 7.868 -6.867 268 HE2 PHE 33 HE1 PHE 33 15.148 4.393 -4.506 269 HZ PHE 33 HZ PHE 33 16.618 5.700 -5.985 270 H MET 34 H MET 34 10.214 8.191 -1.497 271 HA MET 34 HA MET 34 7.867 9.507 -2.584 272 HB2 MET 34 HB2 MET 34 8.424 8.293 0.137 273 HB3 MET 34 HB3 MET 34 6.881 8.991 -0.335 274 HG2 MET 34 HG2 MET 34 6.534 7.318 -1.976 275 HG3 MET 34 HG3 MET 34 8.182 6.719 -1.800 276 HE1 MET 34 HE1 MET 34 5.845 4.723 -1.799 277 HE2 MET 34 HE2 MET 34 6.225 3.714 -0.403 278 HE3 MET 34 HE3 MET 34 7.515 4.260 -1.475 279 H ASP 35 H ASP 35 6.734 11.119 -1.053 280 HA ASP 35 HA ASP 35 8.518 13.314 -0.602 281 HB2 ASP 35 HB2 ASP 35 6.301 14.407 0.266 282 HB3 ASP 35 HB3 ASP 35 6.506 14.093 -1.449 283 H GLU 36 H GLU 36 6.036 12.151 1.665 284 HA GLU 36 HA GLU 36 7.729 11.411 3.787 285 HB2 GLU 36 HB2 GLU 36 8.234 13.847 3.853 286 HB3 GLU 36 HB3 GLU 36 6.521 14.177 4.071 287 HG2 GLU 36 HG2 GLU 36 6.550 12.980 6.193 288 HG3 GLU 36 HG3 GLU 36 8.263 12.619 5.970 289 H ASP 37 H ASP 37 4.712 13.053 2.965 290 HA ASP 37 HA ASP 37 3.104 11.898 5.007 291 HB2 ASP 37 HB2 ASP 37 2.471 13.994 3.858 292 HB3 ASP 37 HB3 ASP 37 2.295 13.118 2.342 293 H MET 38 H MET 38 3.704 11.133 1.610 294 HA MET 38 HA MET 38 2.004 8.853 1.500 295 HB2 MET 38 HB2 MET 38 3.335 10.376 -0.354 296 HB3 MET 38 HB3 MET 38 4.267 8.884 -0.365 297 HG2 MET 38 HG2 MET 38 2.548 8.784 -2.045 298 HG3 MET 38 HG3 MET 38 2.209 7.612 -0.772 299 HE1 MET 38 HE1 MET 38 -0.298 7.347 -1.597 300 HE2 MET 38 HE2 MET 38 -0.009 8.499 -2.902 301 HE3 MET 38 HE3 MET 38 -1.402 8.702 -1.836 302 H ARG 39 H ARG 39 5.290 9.342 2.545 303 HA ARG 39 HA ARG 39 6.141 6.606 2.394 304 HB2 ARG 39 HB2 ARG 39 7.684 8.557 2.345 305 HB3 ARG 39 HB3 ARG 39 7.286 8.877 4.026 306 HG2 ARG 39 HG2 ARG 39 8.163 6.606 4.585 307 HG3 ARG 39 HG3 ARG 39 8.719 6.474 2.915 308 HD2 ARG 39 HD2 ARG 39 9.537 8.606 4.885 309 HD3 ARG 39 HD3 ARG 39 10.504 7.207 4.423 310 HE ARG 39 HE ARG 39 10.490 8.153 2.134 311 HH11 ARG 39 HH11 ARG 39 9.895 10.289 4.847 312 HH12 ARG 39 HH12 ARG 39 10.562 11.684 4.051 313 HH21 ARG 39 HH21 ARG 39 11.346 9.975 1.096 314 HH22 ARG 39 HH22 ARG 39 11.394 11.500 1.918 315 H GLU 40 H GLU 40 5.146 8.734 5.096 316 HA GLU 40 HA GLU 40 5.174 6.805 7.135 317 HB2 GLU 40 HB2 GLU 40 3.461 9.272 6.815 318 HB3 GLU 40 HB3 GLU 40 3.567 8.333 8.291 319 HG2 GLU 40 HG2 GLU 40 5.898 9.698 6.979 320 HG3 GLU 40 HG3 GLU 40 4.937 10.392 8.284 321 H LEU 41 H LEU 41 2.734 7.662 4.794 322 HA LEU 41 HA LEU 41 0.598 6.079 5.749 323 HB2 LEU 41 HB2 LEU 41 0.304 7.897 4.175 324 HB3 LEU 41 HB3 LEU 41 1.328 7.099 3.003 325 HG LEU 41 HG LEU 41 -0.399 5.304 2.812 326 HD11 LEU 41 HD11 LEU 41 -2.053 7.217 4.448 327 HD12 LEU 41 HD12 LEU 41 -1.508 5.620 4.957 328 HD13 LEU 41 HD13 LEU 41 -2.651 5.778 3.621 329 HD21 LEU 41 HD21 LEU 41 -0.212 7.098 1.195 330 HD22 LEU 41 HD22 LEU 41 -1.242 8.126 2.194 331 HD23 LEU 41 HD23 LEU 41 -1.903 6.669 1.451 332 H ALA 42 H ALA 42 3.268 5.461 3.524 333 HA ALA 42 HA ALA 42 2.388 3.030 2.449 334 HB1 ALA 42 HB1 ALA 42 5.209 4.019 2.744 335 HB2 ALA 42 HB2 ALA 42 4.097 4.460 1.445 336 HB3 ALA 42 HB3 ALA 42 4.637 2.788 1.621 337 H LYS 43 H LYS 43 4.419 3.693 5.261 338 HA LYS 43 HA LYS 43 5.179 1.043 5.851 339 HB2 LYS 43 HB2 LYS 43 6.253 3.051 6.814 340 HB3 LYS 43 HB3 LYS 43 4.797 3.382 7.738 341 HG2 LYS 43 HG2 LYS 43 5.103 1.272 8.955 342 HG3 LYS 43 HG3 LYS 43 6.576 0.966 8.035 343 HD2 LYS 43 HD2 LYS 43 6.135 3.369 9.810 344 HD3 LYS 43 HD3 LYS 43 6.990 1.905 10.296 345 HE2 LYS 43 HE2 LYS 43 7.783 3.676 7.984 346 HE3 LYS 43 HE3 LYS 43 8.500 3.744 9.592 347 HZ1 LYS 43 HZ1 LYS 43 9.722 2.416 7.847 348 HZ2 LYS 43 HZ2 LYS 43 8.491 1.255 7.987 349 HZ3 LYS 43 HZ3 LYS 43 9.449 1.642 9.328 350 H ARG 44 H ARG 44 2.417 2.988 6.879 351 HA ARG 44 HA ARG 44 1.358 1.054 8.684 352 HB2 ARG 44 HB2 ARG 44 0.107 3.494 7.417 353 HB3 ARG 44 HB3 ARG 44 -0.638 2.541 8.693 354 HG2 ARG 44 HG2 ARG 44 1.228 3.081 10.184 355 HG3 ARG 44 HG3 ARG 44 1.966 4.042 8.902 356 HD2 ARG 44 HD2 ARG 44 -0.771 4.567 10.046 357 HD3 ARG 44 HD3 ARG 44 0.698 5.361 10.604 358 HE ARG 44 HE ARG 44 0.902 6.280 8.325 359 HH11 ARG 44 HH11 ARG 44 -2.245 5.079 9.325 360 HH12 ARG 44 HH12 ARG 44 -3.121 6.194 8.322 361 HH21 ARG 44 HH21 ARG 44 -0.280 7.768 7.039 362 HH22 ARG 44 HH22 ARG 44 -2.014 7.701 7.041 363 H THR 45 H THR 45 0.788 1.796 5.290 364 HA THR 45 HA THR 45 -1.569 0.225 5.019 365 HB THR 45 HB THR 45 0.349 1.093 2.843 366 HG1 THR 45 HG1 THR 45 -0.413 2.919 3.902 367 HG21 THR 45 HG21 THR 45 -2.573 0.325 2.710 368 HG22 THR 45 HG22 THR 45 -1.221 -0.628 2.096 369 HG23 THR 45 HG23 THR 45 -1.605 0.932 1.367 370 H LEU 46 H LEU 46 1.894 -0.418 4.412 371 HA LEU 46 HA LEU 46 1.547 -2.992 3.296 372 HB2 LEU 46 HB2 LEU 46 3.884 -1.694 4.651 373 HB3 LEU 46 HB3 LEU 46 3.954 -3.345 4.069 374 HG LEU 46 HG LEU 46 3.615 -0.837 2.433 375 HD11 LEU 46 HD11 LEU 46 5.697 -1.619 1.409 376 HD12 LEU 46 HD12 LEU 46 5.715 -2.997 2.511 377 HD13 LEU 46 HD13 LEU 46 5.877 -1.359 3.145 378 HD21 LEU 46 HD21 LEU 46 2.144 -2.569 1.524 379 HD22 LEU 46 HD22 LEU 46 3.492 -3.708 1.506 380 HD23 LEU 46 HD23 LEU 46 3.524 -2.287 0.462 381 H ALA 47 H ALA 47 1.703 -1.914 6.619 382 HA ALA 47 HA ALA 47 2.062 -4.477 7.800 383 HB1 ALA 47 HB1 ALA 47 2.579 -2.398 8.971 384 HB2 ALA 47 HB2 ALA 47 1.441 -3.390 9.880 385 HB3 ALA 47 HB3 ALA 47 0.865 -1.983 8.984 386 H LYS 48 H LYS 48 -0.687 -2.901 6.426 387 HA LYS 48 HA LYS 48 -2.618 -4.613 7.760 388 HB2 LYS 48 HB2 LYS 48 -2.720 -2.176 6.219 389 HB3 LYS 48 HB3 LYS 48 -3.852 -3.355 5.572 390 HG2 LYS 48 HG2 LYS 48 -5.249 -2.507 7.101 391 HG3 LYS 48 HG3 LYS 48 -4.380 -3.563 8.212 392 HD2 LYS 48 HD2 LYS 48 -3.577 -0.705 7.700 393 HD3 LYS 48 HD3 LYS 48 -4.706 -1.172 8.971 394 HE2 LYS 48 HE2 LYS 48 -3.013 -2.502 10.052 395 HE3 LYS 48 HE3 LYS 48 -1.891 -2.235 8.717 396 HZ1 LYS 48 HZ1 LYS 48 -2.891 -0.233 10.661 397 HZ2 LYS 48 HZ2 LYS 48 -2.022 0.173 9.262 398 HZ3 LYS 48 HZ3 LYS 48 -1.295 -0.779 10.464 399 H ILE 49 H ILE 49 -0.857 -4.503 4.732 400 HA ILE 49 HA ILE 49 -2.534 -6.558 3.520 401 HB ILE 49 HB ILE 49 0.024 -5.580 2.265 402 HG12 ILE 49 HG12 ILE 49 -2.622 -4.172 1.888 403 HG13 ILE 49 HG13 ILE 49 -1.420 -3.602 3.040 404 HG21 ILE 49 HG21 ILE 49 -1.248 -5.982 0.198 405 HG22 ILE 49 HG22 ILE 49 -2.649 -6.455 1.160 406 HG23 ILE 49 HG23 ILE 49 -1.175 -7.424 1.212 407 HD11 ILE 49 HD11 ILE 49 -0.992 -3.907 0.074 408 HD12 ILE 49 HD12 ILE 49 0.178 -3.288 1.240 409 HD13 ILE 49 HD13 ILE 49 -1.309 -2.393 0.924 410 H ALA 50 H ALA 50 0.299 -6.365 5.434 411 HA ALA 50 HA ALA 50 1.753 -8.585 4.629 412 HB1 ALA 50 HB1 ALA 50 1.503 -7.542 7.445 413 HB2 ALA 50 HB2 ALA 50 2.565 -6.887 6.200 414 HB3 ALA 50 HB3 ALA 50 2.815 -8.529 6.791 415 HA PRO 51 HA PRO 51 -0.859 -11.569 7.383 416 HB2 PRO 51 HB2 PRO 51 -3.275 -10.806 8.316 417 HB3 PRO 51 HB3 PRO 51 -1.780 -10.565 9.227 418 HG2 PRO 51 HG2 PRO 51 -3.304 -8.621 7.539 419 HG3 PRO 51 HG3 PRO 51 -2.598 -8.390 9.150 420 HD2 PRO 51 HD2 PRO 51 -1.385 -7.531 6.895 421 HD3 PRO 51 HD3 PRO 51 -0.480 -8.084 8.316 422 H LEU 52 H LEU 52 -1.698 -9.855 4.705 423 HA LEU 52 HA LEU 52 -3.924 -11.635 3.976 424 HB2 LEU 52 HB2 LEU 52 -2.936 -9.120 2.635 425 HB3 LEU 52 HB3 LEU 52 -4.267 -10.105 2.068 426 HG LEU 52 HG LEU 52 -4.205 -8.538 4.646 427 HD11 LEU 52 HD11 LEU 52 -5.660 -8.100 2.048 428 HD12 LEU 52 HD12 LEU 52 -4.324 -7.134 2.675 429 HD13 LEU 52 HD13 LEU 52 -5.874 -7.148 3.517 430 HD21 LEU 52 HD21 LEU 52 -6.571 -9.114 4.812 431 HD22 LEU 52 HD22 LEU 52 -5.568 -10.564 4.837 432 HD23 LEU 52 HD23 LEU 52 -6.436 -10.117 3.368 433 H THR 53 H THR 53 -3.887 -12.270 1.618 434 HA THR 53 HA THR 53 -1.138 -12.698 0.617 435 HB THR 53 HB THR 53 -2.014 -14.502 -0.789 436 HG1 THR 53 HG1 THR 53 -4.517 -14.324 0.531 437 HG21 THR 53 HG21 THR 53 -2.901 -14.823 2.079 438 HG22 THR 53 HG22 THR 53 -1.267 -15.087 1.467 439 HG23 THR 53 HG23 THR 53 -2.588 -16.131 0.940 440 H GLU 54 H GLU 54 -1.677 -13.092 -2.072 441 HA GLU 54 HA GLU 54 -2.510 -10.429 -2.895 442 HB2 GLU 54 HB2 GLU 54 -1.749 -11.119 -5.195 443 HB3 GLU 54 HB3 GLU 54 -0.493 -11.083 -3.967 444 HG2 GLU 54 HG2 GLU 54 -1.868 -13.648 -4.697 445 HG3 GLU 54 HG3 GLU 54 -0.528 -13.021 -5.653 446 H ASN 55 H ASN 55 -3.935 -13.426 -2.481 447 HA ASN 55 HA ASN 55 -6.018 -13.211 -4.427 448 HB2 ASN 55 HB2 ASN 55 -5.524 -15.363 -3.369 449 HB3 ASN 55 HB3 ASN 55 -5.897 -14.704 -1.783 450 HD21 ASN 55 HD21 ASN 55 -7.984 -14.567 -1.126 451 HD22 ASN 55 HD22 ASN 55 -9.317 -15.204 -2.029 452 H GLU 56 H GLU 56 -5.737 -12.376 -0.975 453 HA GLU 56 HA GLU 56 -8.301 -11.164 -0.800 454 HB2 GLU 56 HB2 GLU 56 -5.891 -10.998 0.990 455 HB3 GLU 56 HB3 GLU 56 -7.381 -10.136 1.327 456 HG2 GLU 56 HG2 GLU 56 -7.653 -12.007 2.596 457 HG3 GLU 56 HG3 GLU 56 -8.474 -12.482 1.110 458 H TYR 57 H TYR 57 -5.117 -9.964 -1.631 459 HA TYR 57 HA TYR 57 -5.826 -7.219 -1.548 460 HB2 TYR 57 HB2 TYR 57 -3.448 -7.914 -1.581 461 HB3 TYR 57 HB3 TYR 57 -3.655 -8.518 -3.227 462 HD1 TYR 57 HD1 TYR 57 -3.733 -5.454 -1.155 463 HD2 TYR 57 HD2 TYR 57 -3.549 -7.047 -5.091 464 HE1 TYR 57 HE1 TYR 57 -3.388 -3.189 -2.054 465 HE2 TYR 57 HE2 TYR 57 -3.196 -4.792 -6.001 466 HH TYR 57 HH TYR 57 -3.718 -2.444 -5.316 467 H ALA 58 H ALA 58 -6.115 -9.733 -4.027 468 HA ALA 58 HA ALA 58 -6.775 -7.923 -6.142 469 HB1 ALA 58 HB1 ALA 58 -7.200 -10.897 -5.991 470 HB2 ALA 58 HB2 ALA 58 -5.742 -10.096 -6.573 471 HB3 ALA 58 HB3 ALA 58 -7.261 -9.902 -7.448 472 H GLU 59 H GLU 59 -8.574 -9.427 -3.621 473 HA GLU 59 HA GLU 59 -11.184 -9.081 -4.636 474 HB2 GLU 59 HB2 GLU 59 -10.165 -8.976 -1.790 475 HB3 GLU 59 HB3 GLU 59 -11.864 -9.034 -2.236 476 HG2 GLU 59 HG2 GLU 59 -9.842 -11.154 -2.913 477 HG3 GLU 59 HG3 GLU 59 -10.943 -11.214 -1.536 478 H LEU 60 H LEU 60 -8.929 -6.918 -3.037 479 HA LEU 60 HA LEU 60 -10.820 -4.747 -2.795 480 HB2 LEU 60 HB2 LEU 60 -7.825 -4.700 -2.418 481 HB3 LEU 60 HB3 LEU 60 -8.977 -3.514 -1.843 482 HG LEU 60 HG LEU 60 -8.822 -6.361 -0.852 483 HD11 LEU 60 HD11 LEU 60 -7.821 -3.797 0.368 484 HD12 LEU 60 HD12 LEU 60 -6.823 -5.101 -0.274 485 HD13 LEU 60 HD13 LEU 60 -7.825 -5.376 1.150 486 HD21 LEU 60 HD21 LEU 60 -11.037 -5.353 -0.638 487 HD22 LEU 60 HD22 LEU 60 -10.327 -3.964 0.183 488 HD23 LEU 60 HD23 LEU 60 -10.267 -5.559 0.935 489 H ALA 61 H ALA 61 -7.752 -5.266 -4.458 490 HA ALA 61 HA ALA 61 -6.620 -4.190 -6.051 491 HB1 ALA 61 HB1 ALA 61 -8.261 -5.335 -7.466 492 HB2 ALA 61 HB2 ALA 61 -7.738 -3.800 -8.165 493 HB3 ALA 61 HB3 ALA 61 -9.312 -3.920 -7.379 494 H ILE 62 H ILE 62 -9.064 -2.061 -7.173 495 HA ILE 62 HA ILE 62 -8.023 0.117 -5.486 496 HB ILE 62 HB ILE 62 -8.786 0.419 -8.406 497 HG12 ILE 62 HG12 ILE 62 -6.741 -0.925 -8.276 498 HG13 ILE 62 HG13 ILE 62 -6.415 0.666 -8.944 499 HG21 ILE 62 HG21 ILE 62 -9.074 2.446 -7.099 500 HG22 ILE 62 HG22 ILE 62 -7.727 2.622 -8.225 501 HG23 ILE 62 HG23 ILE 62 -7.413 2.324 -6.514 502 HD11 ILE 62 HD11 ILE 62 -4.649 -0.044 -7.446 503 HD12 ILE 62 HD12 ILE 62 -5.813 -0.229 -6.133 504 HD13 ILE 62 HD13 ILE 62 -5.481 1.371 -6.801 505 H PHE 63 H PHE 63 -9.748 0.242 -4.118 506 HA PHE 63 HA PHE 63 -12.447 0.350 -5.193 507 HB2 PHE 63 HB2 PHE 63 -11.323 0.073 -2.440 508 HB3 PHE 63 HB3 PHE 63 -12.954 0.697 -2.630 509 HD1 PHE 63 HD2 PHE 63 -13.916 -0.944 -4.910 510 HD2 PHE 63 HD1 PHE 63 -11.624 -2.003 -1.485 511 HE1 PHE 63 HE2 PHE 63 -14.785 -3.242 -5.042 512 HE2 PHE 63 HE1 PHE 63 -12.495 -4.295 -1.613 513 HZ PHE 63 HZ PHE 63 -14.070 -4.919 -3.384 514 H ALA 64 H ALA 64 -11.222 2.277 -2.490 515 HA ALA 64 HA ALA 64 -12.650 4.561 -3.606 516 HB1 ALA 64 HB1 ALA 64 -11.585 4.139 -0.818 517 HB2 ALA 64 HB2 ALA 64 -13.248 3.856 -1.341 518 HB3 ALA 64 HB3 ALA 64 -12.583 5.489 -1.358 519 H ALA 65 H ALA 65 -11.002 4.992 -5.163 520 HA ALA 65 HA ALA 65 -8.992 6.796 -3.999 521 HB1 ALA 65 HB1 ALA 65 -8.487 4.952 -6.337 522 HB2 ALA 65 HB2 ALA 65 -7.817 4.768 -4.716 523 HB3 ALA 65 HB3 ALA 65 -7.364 6.156 -5.705 524 H ASP 66 H ASP 66 -11.686 6.544 -5.693 525 HA ASP 66 HA ASP 66 -11.099 8.593 -7.693 526 HB2 ASP 66 HB2 ASP 66 -13.415 8.175 -8.456 527 HB3 ASP 66 HB3 ASP 66 -12.440 6.712 -8.447 528 H GLU 67 H GLU 67 -11.496 8.683 -4.579 529 HA GLU 67 HA GLU 67 -13.468 10.819 -4.393 530 HB2 GLU 67 HB2 GLU 67 -11.813 9.522 -2.227 531 HB3 GLU 67 HB3 GLU 67 -13.168 10.614 -1.990 532 HG2 GLU 67 HG2 GLU 67 -13.439 7.968 -3.382 533 HG3 GLU 67 HG3 GLU 67 -13.614 8.159 -1.640 534 H VAL 68 H VAL 68 -10.241 10.540 -5.106 535 HA VAL 68 HA VAL 68 -9.536 13.139 -3.937 536 HB VAL 68 HB VAL 68 -7.205 12.669 -4.637 537 HG11 VAL 68 HG11 VAL 68 -8.450 10.550 -2.908 538 HG12 VAL 68 HG12 VAL 68 -7.908 12.145 -2.390 539 HG13 VAL 68 HG13 VAL 68 -6.734 10.958 -2.958 540 HG21 VAL 68 HG21 VAL 68 -7.604 11.159 -6.502 541 HG22 VAL 68 HG22 VAL 68 -8.250 9.943 -5.401 542 HG23 VAL 68 HG23 VAL 68 -6.550 10.405 -5.307 543 H LEU 69 H LEU 69 -11.158 12.288 -6.515 544 HA LEU 69 HA LEU 69 -9.706 13.632 -8.622 545 HB2 LEU 69 HB2 LEU 69 -12.614 12.812 -8.542 546 HB3 LEU 69 HB3 LEU 69 -11.717 13.293 -9.967 547 HG LEU 69 HG LEU 69 -11.265 10.786 -8.341 548 HD11 LEU 69 HD11 LEU 69 -13.304 10.727 -9.670 549 HD12 LEU 69 HD12 LEU 69 -12.088 9.631 -10.324 550 HD13 LEU 69 HD13 LEU 69 -12.392 11.179 -11.109 551 HD21 LEU 69 HD21 LEU 69 -9.162 11.585 -9.270 552 HD22 LEU 69 HD22 LEU 69 -9.900 11.723 -10.865 553 HD23 LEU 69 HD23 LEU 69 -9.704 10.136 -10.118 554 H GLU 70 H GLU 70 -12.027 14.429 -6.202 555 HA GLU 70 HA GLU 70 -13.017 16.902 -7.017 556 HB2 GLU 70 HB2 GLU 70 -13.800 15.643 -5.060 557 HB3 GLU 70 HB3 GLU 70 -12.265 15.912 -4.254 558 HG2 GLU 70 HG2 GLU 70 -12.798 18.399 -4.455 559 HG3 GLU 70 HG3 GLU 70 -14.438 17.880 -4.853 560 H HIS 71 H HIS 71 -10.040 16.064 -5.313 561 HA HIS 71 HA HIS 71 -9.081 18.798 -5.366 562 HB2 HIS 71 HB2 HIS 71 -7.703 16.250 -4.465 563 HB3 HIS 71 HB3 HIS 71 -7.052 17.872 -4.286 564 HD1 HIS 71 HD1 HIS 71 -7.858 15.695 -2.022 565 HD2 HIS 71 HD2 HIS 71 -9.833 19.213 -2.999 566 HE1 HIS 71 HE1 HIS 71 -9.165 16.324 0.027 567 HE2 HIS 71 HE2 HIS 71 -10.175 18.564 -0.519 568 H HIS 72 H HIS 72 -7.497 19.562 -6.726 569 HA HIS 72 HA HIS 72 -7.246 18.165 -9.217 570 HB2 HIS 72 HB2 HIS 72 -7.519 20.643 -9.060 571 HB3 HIS 72 HB3 HIS 72 -5.902 20.743 -8.373 572 HD1 HIS 72 HD1 HIS 72 -7.631 19.686 -11.589 573 HD2 HIS 72 HD2 HIS 72 -3.903 20.932 -10.223 574 HE1 HIS 72 HE1 HIS 72 -6.217 19.976 -13.644 575 HE2 HIS 72 HE2 HIS 72 -3.956 20.712 -12.796 576 H HIS 73 H HIS 73 -5.810 16.754 -9.725 577 HA HIS 73 HA HIS 73 -3.144 16.900 -8.518 578 HB2 HIS 73 HB2 HIS 73 -3.026 14.414 -8.413 579 HB3 HIS 73 HB3 HIS 73 -4.238 15.099 -7.339 580 HD1 HIS 73 HD1 HIS 73 -3.760 12.382 -9.572 581 HD2 HIS 73 HD2 HIS 73 -6.982 14.843 -8.681 582 HE1 HIS 73 HE1 HIS 73 -5.791 11.152 -10.385 583 HE2 HIS 73 HE2 HIS 73 -7.687 12.781 -10.052 584 H HIS 74 H HIS 74 -1.834 17.468 -10.064 585 HA HIS 74 HA HIS 74 -2.284 16.707 -12.803 586 HB2 HIS 74 HB2 HIS 74 -1.403 18.952 -12.240 587 HB3 HIS 74 HB3 HIS 74 0.051 18.209 -11.586 588 HD1 HIS 74 HD1 HIS 74 -1.793 18.259 -14.937 589 HD2 HIS 74 HD2 HIS 74 2.062 18.128 -13.386 590 HE1 HIS 74 HE1 HIS 74 -0.262 18.305 -16.929 591 HE2 HIS 74 HE2 HIS 74 2.059 18.087 -15.971 592 H HIS 75 H HIS 75 -2.105 14.641 -13.054 593 HA HIS 75 HA HIS 75 0.456 13.373 -13.120 594 HB2 HIS 75 HB2 HIS 75 -0.152 13.080 -10.706 595 HB3 HIS 75 HB3 HIS 75 -1.640 12.285 -11.192 596 HD1 HIS 75 HD1 HIS 75 2.010 11.714 -10.757 597 HD2 HIS 75 HD2 HIS 75 -1.322 9.617 -12.087 598 HE1 HIS 75 HE1 HIS 75 2.723 9.310 -10.869 599 HE2 HIS 75 HE2 HIS 75 0.630 8.045 -11.450 600 H HIS 76 H HIS 76 -3.038 12.840 -12.966 601 HA HIS 76 HA HIS 76 -3.187 12.030 -15.710 602 HB2 HIS 76 HB2 HIS 76 -2.483 9.908 -14.522 603 HB3 HIS 76 HB3 HIS 76 -3.977 9.993 -13.598 604 HD1 HIS 76 HD1 HIS 76 -2.910 9.780 -17.263 605 HD2 HIS 76 HD2 HIS 76 -6.013 8.621 -14.747 606 HE1 HIS 76 HE1 HIS 76 -4.461 8.408 -18.684 607 HE2 HIS 76 HE2 HIS 76 -6.301 7.665 -17.130 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -15.011 -7.110 3.730 2 H2 MET 1 H2 MET 1 -16.094 -6.624 2.522 3 H3 MET 1 H3 MET 1 -16.082 -5.828 4.018 4 HA MET 1 HA MET 1 -13.882 -5.844 2.043 5 HB2 MET 1 HB2 MET 1 -16.243 -4.240 2.257 6 HB3 MET 1 HB3 MET 1 -14.845 -3.236 2.615 7 HG2 MET 1 HG2 MET 1 -15.168 -4.937 0.156 8 HG3 MET 1 HG3 MET 1 -15.474 -3.206 0.244 9 HE1 MET 1 HE1 MET 1 -13.503 -4.607 -1.881 10 HE2 MET 1 HE2 MET 1 -12.223 -3.392 -1.883 11 HE3 MET 1 HE3 MET 1 -13.912 -2.892 -1.818 12 H ILE 2 H ILE 2 -12.081 -4.595 2.608 13 HA ILE 2 HA ILE 2 -11.710 -4.242 5.479 14 HB ILE 2 HB ILE 2 -9.954 -5.445 4.191 15 HG12 ILE 2 HG12 ILE 2 -8.917 -2.833 5.327 16 HG13 ILE 2 HG13 ILE 2 -9.419 -4.209 6.301 17 HG21 ILE 2 HG21 ILE 2 -9.504 -2.800 2.821 18 HG22 ILE 2 HG22 ILE 2 -10.072 -4.294 2.076 19 HG23 ILE 2 HG23 ILE 2 -8.428 -4.194 2.711 20 HD11 ILE 2 HD11 ILE 2 -7.001 -4.103 6.074 21 HD12 ILE 2 HD12 ILE 2 -7.156 -4.188 4.320 22 HD13 ILE 2 HD13 ILE 2 -7.647 -5.559 5.314 23 H ARG 3 H ARG 3 -11.314 -2.256 6.430 24 HA ARG 3 HA ARG 3 -12.144 0.025 4.826 25 HB2 ARG 3 HB2 ARG 3 -13.005 -0.682 7.245 26 HB3 ARG 3 HB3 ARG 3 -11.614 0.264 7.753 27 HG2 ARG 3 HG2 ARG 3 -13.763 1.336 5.928 28 HG3 ARG 3 HG3 ARG 3 -13.819 1.482 7.684 29 HD2 ARG 3 HD2 ARG 3 -11.731 2.748 7.653 30 HD3 ARG 3 HD3 ARG 3 -11.635 2.559 5.903 31 HE ARG 3 HE ARG 3 -14.013 3.749 6.184 32 HH11 ARG 3 HH11 ARG 3 -10.865 4.546 7.530 33 HH12 ARG 3 HH12 ARG 3 -11.214 6.244 7.622 34 HH21 ARG 3 HH21 ARG 3 -14.434 5.970 6.309 35 HH22 ARG 3 HH22 ARG 3 -13.231 7.054 6.928 36 H LEU 4 H LEU 4 -10.309 0.386 3.660 37 HA LEU 4 HA LEU 4 -8.022 1.422 5.161 38 HB2 LEU 4 HB2 LEU 4 -8.284 0.622 2.263 39 HB3 LEU 4 HB3 LEU 4 -6.884 1.455 2.912 40 HG LEU 4 HG LEU 4 -7.837 -1.281 3.777 41 HD11 LEU 4 HD11 LEU 4 -5.817 -2.086 2.657 42 HD12 LEU 4 HD12 LEU 4 -5.489 -0.450 2.081 43 HD13 LEU 4 HD13 LEU 4 -6.926 -1.309 1.525 44 HD21 LEU 4 HD21 LEU 4 -6.738 -0.075 5.577 45 HD22 LEU 4 HD22 LEU 4 -5.379 0.301 4.516 46 HD23 LEU 4 HD23 LEU 4 -5.703 -1.371 4.978 47 H THR 5 H THR 5 -7.230 3.473 4.646 48 HA THR 5 HA THR 5 -9.266 5.388 4.110 49 HB THR 5 HB THR 5 -6.352 6.102 4.145 50 HG1 THR 5 HG1 THR 5 -6.488 4.668 5.868 51 HG21 THR 5 HG21 THR 5 -8.817 7.306 5.394 52 HG22 THR 5 HG22 THR 5 -8.029 7.865 3.919 53 HG23 THR 5 HG23 THR 5 -7.190 7.988 5.466 54 H ILE 6 H ILE 6 -9.169 7.000 2.392 55 HA ILE 6 HA ILE 6 -8.904 5.859 -0.162 56 HB ILE 6 HB ILE 6 -8.902 8.834 0.221 57 HG12 ILE 6 HG12 ILE 6 -10.583 8.043 1.828 58 HG13 ILE 6 HG13 ILE 6 -11.359 8.832 0.465 59 HG21 ILE 6 HG21 ILE 6 -10.327 8.777 -1.772 60 HG22 ILE 6 HG22 ILE 6 -10.217 7.018 -1.790 61 HG23 ILE 6 HG23 ILE 6 -8.770 7.994 -2.040 62 HD11 ILE 6 HD11 ILE 6 -11.962 6.662 -0.453 63 HD12 ILE 6 HD12 ILE 6 -12.585 6.866 1.185 64 HD13 ILE 6 HD13 ILE 6 -11.161 5.863 0.898 65 H GLU 7 H GLU 7 -6.750 7.900 1.702 66 HA GLU 7 HA GLU 7 -4.838 8.379 -0.330 67 HB2 GLU 7 HB2 GLU 7 -4.457 8.342 2.669 68 HB3 GLU 7 HB3 GLU 7 -3.298 8.965 1.509 69 HG2 GLU 7 HG2 GLU 7 -4.303 10.876 2.268 70 HG3 GLU 7 HG3 GLU 7 -5.216 10.543 0.799 71 H GLU 8 H GLU 8 -5.303 5.755 1.984 72 HA GLU 8 HA GLU 8 -2.762 4.512 1.624 73 HB2 GLU 8 HB2 GLU 8 -5.368 3.320 2.596 74 HB3 GLU 8 HB3 GLU 8 -3.792 2.551 2.707 75 HG2 GLU 8 HG2 GLU 8 -3.048 4.508 4.077 76 HG3 GLU 8 HG3 GLU 8 -4.738 5.008 4.136 77 H THR 9 H THR 9 -5.968 4.009 0.204 78 HA THR 9 HA THR 9 -5.095 1.889 -1.506 79 HB THR 9 HB THR 9 -7.603 3.469 -1.971 80 HG1 THR 9 HG1 THR 9 -6.880 2.124 0.281 81 HG21 THR 9 HG21 THR 9 -6.919 0.533 -2.250 82 HG22 THR 9 HG22 THR 9 -7.007 1.690 -3.577 83 HG23 THR 9 HG23 THR 9 -8.461 1.279 -2.666 84 H ASN 10 H ASN 10 -5.242 5.388 -1.813 85 HA ASN 10 HA ASN 10 -4.639 5.541 -4.579 86 HB2 ASN 10 HB2 ASN 10 -5.368 7.480 -3.202 87 HB3 ASN 10 HB3 ASN 10 -3.812 7.456 -2.382 88 HD21 ASN 10 HD21 ASN 10 -3.288 9.521 -3.036 89 HD22 ASN 10 HD22 ASN 10 -2.871 9.909 -4.665 90 H LEU 11 H LEU 11 -2.611 5.172 -1.707 91 HA LEU 11 HA LEU 11 -0.076 5.225 -2.968 92 HB2 LEU 11 HB2 LEU 11 -0.313 5.444 -0.570 93 HB3 LEU 11 HB3 LEU 11 -1.062 3.867 -0.455 94 HG LEU 11 HG LEU 11 1.133 2.874 -1.190 95 HD11 LEU 11 HD11 LEU 11 3.135 4.234 -0.932 96 HD12 LEU 11 HD12 LEU 11 2.135 5.660 -0.652 97 HD13 LEU 11 HD13 LEU 11 2.104 4.854 -2.221 98 HD21 LEU 11 HD21 LEU 11 0.409 2.878 1.121 99 HD22 LEU 11 HD22 LEU 11 1.089 4.491 1.344 100 HD23 LEU 11 HD23 LEU 11 2.152 3.124 1.009 101 H LEU 12 H LEU 12 -2.425 2.678 -2.369 102 HA LEU 12 HA LEU 12 -0.980 0.517 -3.466 103 HB2 LEU 12 HB2 LEU 12 -3.968 0.922 -3.301 104 HB3 LEU 12 HB3 LEU 12 -3.161 -0.600 -3.620 105 HG LEU 12 HG LEU 12 -2.951 0.968 -1.048 106 HD11 LEU 12 HD11 LEU 12 -4.505 -1.530 -1.701 107 HD12 LEU 12 HD12 LEU 12 -5.182 0.066 -1.368 108 HD13 LEU 12 HD13 LEU 12 -4.330 -0.813 -0.098 109 HD21 LEU 12 HD21 LEU 12 -1.904 -1.054 -0.159 110 HD22 LEU 12 HD22 LEU 12 -0.964 -0.364 -1.483 111 HD23 LEU 12 HD23 LEU 12 -1.967 -1.787 -1.763 112 H SER 13 H SER 13 -3.189 2.887 -4.870 113 HA SER 13 HA SER 13 -3.412 1.734 -7.435 114 HB2 SER 13 HB2 SER 13 -5.029 3.356 -6.467 115 HB3 SER 13 HB3 SER 13 -3.817 4.624 -6.631 116 HG SER 13 HG SER 13 -3.831 3.914 -8.963 117 H ILE 14 H ILE 14 -1.006 3.828 -6.046 118 HA ILE 14 HA ILE 14 0.092 4.661 -8.569 119 HB ILE 14 HB ILE 14 1.026 4.981 -5.710 120 HG12 ILE 14 HG12 ILE 14 -0.020 6.955 -7.751 121 HG13 ILE 14 HG13 ILE 14 -0.940 6.277 -6.415 122 HG21 ILE 14 HG21 ILE 14 3.028 4.879 -7.120 123 HG22 ILE 14 HG22 ILE 14 2.768 6.493 -6.458 124 HG23 ILE 14 HG23 ILE 14 2.368 6.158 -8.147 125 HD11 ILE 14 HD11 ILE 14 0.528 7.404 -4.830 126 HD12 ILE 14 HD12 ILE 14 -0.227 8.543 -5.947 127 HD13 ILE 14 HD13 ILE 14 1.459 8.075 -6.169 128 H TYR 15 H TYR 15 0.690 2.072 -6.254 129 HA TYR 15 HA TYR 15 3.027 1.237 -7.847 130 HB2 TYR 15 HB2 TYR 15 2.484 0.804 -4.905 131 HB3 TYR 15 HB3 TYR 15 3.873 0.160 -5.778 132 HD1 TYR 15 HD2 TYR 15 5.334 1.915 -7.023 133 HD2 TYR 15 HD1 TYR 15 2.662 2.869 -3.866 134 HE1 TYR 15 HE2 TYR 15 6.546 4.010 -6.637 135 HE2 TYR 15 HE1 TYR 15 3.862 4.974 -3.475 136 HH TYR 15 HH TYR 15 6.160 6.204 -5.675 137 H ASN 16 H ASN 16 0.146 0.468 -8.218 138 HA ASN 16 HA ASN 16 0.093 -2.342 -7.489 139 HB2 ASN 16 HB2 ASN 16 -1.977 -0.904 -7.443 140 HB3 ASN 16 HB3 ASN 16 -1.904 -0.843 -9.200 141 HD21 ASN 16 HD21 ASN 16 -3.938 -1.804 -9.322 142 HD22 ASN 16 HD22 ASN 16 -4.168 -3.499 -9.049 143 H GLU 17 H GLU 17 1.740 -3.244 -8.589 144 HA GLU 17 HA GLU 17 1.597 -3.138 -11.515 145 HB2 GLU 17 HB2 GLU 17 3.627 -2.140 -10.367 146 HB3 GLU 17 HB3 GLU 17 4.045 -3.772 -9.868 147 HG2 GLU 17 HG2 GLU 17 4.270 -4.465 -12.151 148 HG3 GLU 17 HG3 GLU 17 3.716 -2.891 -12.724 149 H GLY 18 H GLY 18 1.626 -5.245 -8.732 150 HA2 GLY 18 HA2 GLY 18 0.702 -7.415 -10.336 151 HA3 GLY 18 HA3 GLY 18 2.364 -7.664 -9.834 152 H GLY 19 H GLY 19 -0.749 -6.673 -8.404 153 HA2 GLY 19 HA2 GLY 19 -1.886 -7.556 -6.588 154 HA3 GLY 19 HA3 GLY 19 -0.684 -8.840 -6.511 155 H LYS 20 H LYS 20 -0.635 -8.638 -4.199 156 HA LYS 20 HA LYS 20 0.250 -6.096 -3.115 157 HB2 LYS 20 HB2 LYS 20 -0.153 -6.942 -0.962 158 HB3 LYS 20 HB3 LYS 20 -1.424 -7.611 -1.957 159 HG2 LYS 20 HG2 LYS 20 -0.956 -9.557 -0.999 160 HG3 LYS 20 HG3 LYS 20 0.507 -9.585 -1.992 161 HD2 LYS 20 HD2 LYS 20 1.814 -8.639 -0.245 162 HD3 LYS 20 HD3 LYS 20 0.384 -8.230 0.699 163 HE2 LYS 20 HE2 LYS 20 1.446 -10.131 1.683 164 HE3 LYS 20 HE3 LYS 20 -0.081 -10.636 0.967 165 HZ1 LYS 20 HZ1 LYS 20 1.196 -11.448 -0.959 166 HZ2 LYS 20 HZ2 LYS 20 1.602 -12.238 0.484 167 HZ3 LYS 20 HZ3 LYS 20 2.632 -11.056 -0.152 168 H ARG 21 H ARG 21 1.655 -8.893 -4.368 169 HA ARG 21 HA ARG 21 4.209 -8.782 -3.146 170 HB2 ARG 21 HB2 ARG 21 2.992 -10.460 -4.877 171 HB3 ARG 21 HB3 ARG 21 3.979 -9.545 -6.007 172 HG2 ARG 21 HG2 ARG 21 5.982 -10.175 -4.859 173 HG3 ARG 21 HG3 ARG 21 5.047 -10.919 -3.562 174 HD2 ARG 21 HD2 ARG 21 5.961 -12.591 -5.092 175 HD3 ARG 21 HD3 ARG 21 4.200 -12.592 -5.088 176 HE ARG 21 HE ARG 21 4.275 -11.464 -7.230 177 HH11 ARG 21 HH11 ARG 21 7.342 -12.779 -6.150 178 HH12 ARG 21 HH12 ARG 21 7.940 -13.024 -7.763 179 HH21 ARG 21 HH21 ARG 21 5.079 -11.800 -9.341 180 HH22 ARG 21 HH22 ARG 21 6.662 -12.472 -9.560 181 H GLY 22 H GLY 22 3.013 -7.527 -6.262 182 HA2 GLY 22 HA2 GLY 22 5.138 -5.844 -6.887 183 HA3 GLY 22 HA3 GLY 22 3.486 -5.635 -7.437 184 H LEU 23 H LEU 23 2.380 -5.237 -4.771 185 HA LEU 23 HA LEU 23 2.844 -2.459 -4.440 186 HB2 LEU 23 HB2 LEU 23 1.142 -4.488 -3.203 187 HB3 LEU 23 HB3 LEU 23 1.656 -3.231 -2.092 188 HG LEU 23 HG LEU 23 -0.464 -2.602 -2.992 189 HD11 LEU 23 HD11 LEU 23 0.063 -0.474 -4.061 190 HD12 LEU 23 HD12 LEU 23 1.715 -1.026 -4.342 191 HD13 LEU 23 HD13 LEU 23 1.130 -0.798 -2.693 192 HD21 LEU 23 HD21 LEU 23 0.752 -2.894 -5.726 193 HD22 LEU 23 HD22 LEU 23 -0.872 -2.305 -5.359 194 HD23 LEU 23 HD23 LEU 23 -0.436 -3.978 -5.001 195 H MET 24 H MET 24 3.845 -5.251 -2.419 196 HA MET 24 HA MET 24 5.073 -3.633 -0.443 197 HB2 MET 24 HB2 MET 24 5.213 -6.555 -1.076 198 HB3 MET 24 HB3 MET 24 6.260 -5.849 0.151 199 HG2 MET 24 HG2 MET 24 4.325 -5.042 1.363 200 HG3 MET 24 HG3 MET 24 3.261 -5.692 0.121 201 HE1 MET 24 HE1 MET 24 3.228 -6.241 3.388 202 HE2 MET 24 HE2 MET 24 2.680 -7.917 3.331 203 HE3 MET 24 HE3 MET 24 1.978 -6.722 2.243 204 H GLU 25 H GLU 25 6.347 -5.151 -3.367 205 HA GLU 25 HA GLU 25 9.072 -4.509 -2.889 206 HB2 GLU 25 HB2 GLU 25 7.589 -5.001 -5.481 207 HB3 GLU 25 HB3 GLU 25 9.337 -4.884 -5.340 208 HG2 GLU 25 HG2 GLU 25 9.455 -6.862 -4.050 209 HG3 GLU 25 HG3 GLU 25 7.705 -6.910 -3.845 210 H ASN 26 H ASN 26 6.527 -2.849 -4.769 211 HA ASN 26 HA ASN 26 8.351 -0.864 -5.748 212 HB2 ASN 26 HB2 ASN 26 5.400 -1.296 -6.057 213 HB3 ASN 26 HB3 ASN 26 6.172 0.166 -6.658 214 HD21 ASN 26 HD21 ASN 26 5.405 -0.570 -8.726 215 HD22 ASN 26 HD22 ASN 26 6.323 -1.733 -9.620 216 H ILE 27 H ILE 27 6.014 -0.951 -3.108 217 HA ILE 27 HA ILE 27 6.081 1.851 -2.603 218 HB ILE 27 HB ILE 27 5.325 -0.478 -0.830 219 HG12 ILE 27 HG12 ILE 27 3.688 1.751 -2.071 220 HG13 ILE 27 HG13 ILE 27 3.779 0.096 -2.665 221 HG21 ILE 27 HG21 ILE 27 4.482 1.119 0.817 222 HG22 ILE 27 HG22 ILE 27 5.165 2.447 -0.122 223 HG23 ILE 27 HG23 ILE 27 6.229 1.252 0.621 224 HD11 ILE 27 HD11 ILE 27 2.746 -0.693 -0.583 225 HD12 ILE 27 HD12 ILE 27 1.723 0.458 -1.442 226 HD13 ILE 27 HD13 ILE 27 2.629 0.977 -0.021 227 H ASN 28 H ASN 28 7.921 -0.888 -1.187 228 HA ASN 28 HA ASN 28 9.375 0.728 0.638 229 HB2 ASN 28 HB2 ASN 28 9.610 -2.096 -0.276 230 HB3 ASN 28 HB3 ASN 28 10.968 -1.377 0.582 231 HD21 ASN 28 HD21 ASN 28 7.788 -2.645 0.823 232 HD22 ASN 28 HD22 ASN 28 7.635 -2.502 2.542 233 H ALA 29 H ALA 29 10.060 -0.291 -2.653 234 HA ALA 29 HA ALA 29 12.788 0.585 -2.639 235 HB1 ALA 29 HB1 ALA 29 10.964 0.052 -4.983 236 HB2 ALA 29 HB2 ALA 29 11.981 -1.145 -4.178 237 HB3 ALA 29 HB3 ALA 29 12.719 0.206 -5.040 238 H ALA 30 H ALA 30 9.709 2.075 -3.396 239 HA ALA 30 HA ALA 30 11.090 4.456 -4.386 240 HB1 ALA 30 HB1 ALA 30 9.429 3.483 -5.886 241 HB2 ALA 30 HB2 ALA 30 8.991 5.117 -5.389 242 HB3 ALA 30 HB3 ALA 30 8.185 3.726 -4.662 243 H LEU 31 H LEU 31 10.483 3.562 -1.457 244 HA LEU 31 HA LEU 31 8.903 5.511 -0.252 245 HB2 LEU 31 HB2 LEU 31 11.346 4.087 0.753 246 HB3 LEU 31 HB3 LEU 31 10.500 5.261 1.737 247 HG LEU 31 HG LEU 31 9.301 2.702 0.657 248 HD11 LEU 31 HD11 LEU 31 9.373 1.956 2.982 249 HD12 LEU 31 HD12 LEU 31 10.189 3.450 3.441 250 HD13 LEU 31 HD13 LEU 31 10.991 2.301 2.372 251 HD21 LEU 31 HD21 LEU 31 8.198 4.762 2.567 252 HD22 LEU 31 HD22 LEU 31 7.439 3.221 2.165 253 HD23 LEU 31 HD23 LEU 31 7.635 4.458 0.923 254 HA PRO 32 HA PRO 32 12.659 8.632 -0.137 255 HB2 PRO 32 HB2 PRO 32 14.573 8.284 -2.053 256 HB3 PRO 32 HB3 PRO 32 14.732 7.722 -0.386 257 HG2 PRO 32 HG2 PRO 32 13.902 6.196 -2.825 258 HG3 PRO 32 HG3 PRO 32 15.036 5.730 -1.539 259 HD2 PRO 32 HD2 PRO 32 12.536 4.801 -1.566 260 HD3 PRO 32 HD3 PRO 32 13.339 5.235 -0.047 261 H PHE 33 H PHE 33 11.413 7.169 -3.064 262 HA PHE 33 HA PHE 33 11.720 9.494 -4.723 263 HB2 PHE 33 HB2 PHE 33 10.211 6.908 -5.110 264 HB3 PHE 33 HB3 PHE 33 10.278 8.179 -6.323 265 HD1 PHE 33 HD2 PHE 33 12.361 8.665 -7.500 266 HD2 PHE 33 HD1 PHE 33 12.100 5.471 -4.700 267 HE1 PHE 33 HE2 PHE 33 14.433 7.698 -8.407 268 HE2 PHE 33 HE1 PHE 33 14.168 4.501 -5.605 269 HZ PHE 33 HZ PHE 33 15.338 5.615 -7.462 270 H MET 34 H MET 34 9.113 8.058 -2.826 271 HA MET 34 HA MET 34 7.143 9.940 -3.791 272 HB2 MET 34 HB2 MET 34 5.572 8.813 -2.360 273 HB3 MET 34 HB3 MET 34 6.562 7.586 -3.132 274 HG2 MET 34 HG2 MET 34 7.867 7.334 -1.091 275 HG3 MET 34 HG3 MET 34 6.923 8.599 -0.314 276 HE1 MET 34 HE1 MET 34 5.564 4.287 -1.163 277 HE2 MET 34 HE2 MET 34 7.229 4.870 -1.170 278 HE3 MET 34 HE3 MET 34 6.127 5.334 -2.467 279 H ASP 35 H ASP 35 5.827 11.179 -2.148 280 HA ASP 35 HA ASP 35 7.489 12.967 -0.646 281 HB2 ASP 35 HB2 ASP 35 5.340 13.610 -1.820 282 HB3 ASP 35 HB3 ASP 35 4.463 12.703 -0.596 283 H GLU 36 H GLU 36 7.307 13.339 1.731 284 HA GLU 36 HA GLU 36 7.566 10.875 3.123 285 HB2 GLU 36 HB2 GLU 36 8.898 12.952 3.529 286 HB3 GLU 36 HB3 GLU 36 7.481 13.641 4.302 287 HG2 GLU 36 HG2 GLU 36 7.575 12.071 6.073 288 HG3 GLU 36 HG3 GLU 36 8.766 11.087 5.224 289 H ASP 37 H ASP 37 4.875 13.034 2.704 290 HA ASP 37 HA ASP 37 3.278 12.192 4.900 291 HB2 ASP 37 HB2 ASP 37 2.727 14.166 3.529 292 HB3 ASP 37 HB3 ASP 37 2.420 13.122 2.146 293 H MET 38 H MET 38 3.600 11.047 1.594 294 HA MET 38 HA MET 38 1.788 8.840 1.855 295 HB2 MET 38 HB2 MET 38 2.666 10.233 -0.241 296 HB3 MET 38 HB3 MET 38 3.846 8.930 -0.302 297 HG2 MET 38 HG2 MET 38 2.342 7.424 -1.011 298 HG3 MET 38 HG3 MET 38 1.050 8.082 -0.003 299 HE1 MET 38 HE1 MET 38 -0.965 8.428 -1.306 300 HE2 MET 38 HE2 MET 38 -0.220 7.207 -2.337 301 HE3 MET 38 HE3 MET 38 -0.975 8.628 -3.059 302 H ARG 39 H ARG 39 5.126 9.369 2.427 303 HA ARG 39 HA ARG 39 6.106 6.707 2.309 304 HB2 ARG 39 HB2 ARG 39 7.408 8.827 2.069 305 HB3 ARG 39 HB3 ARG 39 7.198 9.098 3.785 306 HG2 ARG 39 HG2 ARG 39 8.449 7.010 4.221 307 HG3 ARG 39 HG3 ARG 39 8.739 6.868 2.480 308 HD2 ARG 39 HD2 ARG 39 9.604 9.131 4.283 309 HD3 ARG 39 HD3 ARG 39 10.644 7.918 3.541 310 HE ARG 39 HE ARG 39 9.477 9.043 1.399 311 HH11 ARG 39 HH11 ARG 39 11.155 10.453 4.141 312 HH12 ARG 39 HH12 ARG 39 11.672 11.851 3.255 313 HH21 ARG 39 HH21 ARG 39 10.153 10.884 0.252 314 HH22 ARG 39 HH22 ARG 39 11.124 12.085 1.046 315 H GLU 40 H GLU 40 5.160 8.837 5.038 316 HA GLU 40 HA GLU 40 5.447 6.847 7.052 317 HB2 GLU 40 HB2 GLU 40 3.917 9.449 6.974 318 HB3 GLU 40 HB3 GLU 40 4.001 8.432 8.405 319 HG2 GLU 40 HG2 GLU 40 6.344 9.679 6.997 320 HG3 GLU 40 HG3 GLU 40 5.601 10.265 8.483 321 H LEU 41 H LEU 41 2.852 7.803 4.956 322 HA LEU 41 HA LEU 41 0.695 6.370 6.024 323 HB2 LEU 41 HB2 LEU 41 0.530 8.056 4.277 324 HB3 LEU 41 HB3 LEU 41 1.442 7.045 3.179 325 HG LEU 41 HG LEU 41 -0.504 5.377 3.447 326 HD11 LEU 41 HD11 LEU 41 -1.588 6.475 5.325 327 HD12 LEU 41 HD12 LEU 41 -2.654 6.428 3.918 328 HD13 LEU 41 HD13 LEU 41 -1.827 7.926 4.350 329 HD21 LEU 41 HD21 LEU 41 -0.805 7.993 1.989 330 HD22 LEU 41 HD22 LEU 41 -1.713 6.520 1.648 331 HD23 LEU 41 HD23 LEU 41 0.034 6.554 1.405 332 H ALA 42 H ALA 42 3.406 5.370 4.036 333 HA ALA 42 HA ALA 42 2.436 2.889 3.130 334 HB1 ALA 42 HB1 ALA 42 4.272 4.099 2.091 335 HB2 ALA 42 HB2 ALA 42 4.733 2.451 2.507 336 HB3 ALA 42 HB3 ALA 42 5.277 3.797 3.509 337 H LYS 43 H LYS 43 4.184 3.772 6.068 338 HA LYS 43 HA LYS 43 4.840 1.171 6.965 339 HB2 LYS 43 HB2 LYS 43 4.372 3.754 8.449 340 HB3 LYS 43 HB3 LYS 43 4.707 2.261 9.300 341 HG2 LYS 43 HG2 LYS 43 6.749 3.382 9.179 342 HG3 LYS 43 HG3 LYS 43 6.847 2.131 7.942 343 HD2 LYS 43 HD2 LYS 43 6.376 3.750 6.215 344 HD3 LYS 43 HD3 LYS 43 6.119 5.013 7.420 345 HE2 LYS 43 HE2 LYS 43 8.719 3.535 7.079 346 HE3 LYS 43 HE3 LYS 43 8.349 5.058 6.272 347 HZ1 LYS 43 HZ1 LYS 43 8.333 4.662 9.212 348 HZ2 LYS 43 HZ2 LYS 43 8.109 6.131 8.390 349 HZ3 LYS 43 HZ3 LYS 43 9.611 5.349 8.340 350 H ARG 44 H ARG 44 1.998 3.175 7.338 351 HA ARG 44 HA ARG 44 0.563 1.451 9.070 352 HB2 ARG 44 HB2 ARG 44 -0.259 3.753 7.315 353 HB3 ARG 44 HB3 ARG 44 -1.393 2.880 8.338 354 HG2 ARG 44 HG2 ARG 44 -0.115 3.494 10.314 355 HG3 ARG 44 HG3 ARG 44 1.057 4.344 9.299 356 HD2 ARG 44 HD2 ARG 44 -0.500 5.970 8.673 357 HD3 ARG 44 HD3 ARG 44 -1.862 4.998 9.219 358 HE ARG 44 HE ARG 44 0.062 6.296 11.039 359 HH11 ARG 44 HH11 ARG 44 -3.184 5.210 10.257 360 HH12 ARG 44 HH12 ARG 44 -3.897 5.909 11.681 361 HH21 ARG 44 HH21 ARG 44 -0.883 7.228 12.899 362 HH22 ARG 44 HH22 ARG 44 -2.595 7.077 13.169 363 H THR 45 H THR 45 0.303 2.049 5.533 364 HA THR 45 HA THR 45 -1.967 0.453 5.098 365 HB THR 45 HB THR 45 0.172 1.074 3.050 366 HG1 THR 45 HG1 THR 45 -1.743 2.688 4.319 367 HG21 THR 45 HG21 THR 45 -1.686 1.054 1.466 368 HG22 THR 45 HG22 THR 45 -2.815 0.699 2.771 369 HG23 THR 45 HG23 THR 45 -1.594 -0.488 2.317 370 H LEU 46 H LEU 46 1.478 -0.327 4.727 371 HA LEU 46 HA LEU 46 1.136 -2.888 3.597 372 HB2 LEU 46 HB2 LEU 46 3.464 -1.695 5.083 373 HB3 LEU 46 HB3 LEU 46 3.510 -3.262 4.299 374 HG LEU 46 HG LEU 46 3.000 -0.645 2.880 375 HD11 LEU 46 HD11 LEU 46 5.469 -2.360 3.026 376 HD12 LEU 46 HD12 LEU 46 5.256 -0.775 3.769 377 HD13 LEU 46 HD13 LEU 46 5.263 -0.932 2.012 378 HD21 LEU 46 HD21 LEU 46 1.979 -2.589 1.776 379 HD22 LEU 46 HD22 LEU 46 3.540 -3.411 1.792 380 HD23 LEU 46 HD23 LEU 46 3.326 -1.941 0.839 381 H ALA 47 H ALA 47 1.068 -1.815 6.911 382 HA ALA 47 HA ALA 47 1.564 -4.320 8.154 383 HB1 ALA 47 HB1 ALA 47 1.830 -2.195 9.323 384 HB2 ALA 47 HB2 ALA 47 0.728 -3.271 10.180 385 HB3 ALA 47 HB3 ALA 47 0.089 -1.927 9.234 386 H LYS 48 H LYS 48 -1.318 -2.987 6.681 387 HA LYS 48 HA LYS 48 -3.111 -4.851 7.999 388 HB2 LYS 48 HB2 LYS 48 -3.597 -3.003 5.656 389 HB3 LYS 48 HB3 LYS 48 -4.820 -4.030 6.378 390 HG2 LYS 48 HG2 LYS 48 -5.334 -2.147 7.487 391 HG3 LYS 48 HG3 LYS 48 -4.032 -2.672 8.554 392 HD2 LYS 48 HD2 LYS 48 -2.471 -1.222 7.495 393 HD3 LYS 48 HD3 LYS 48 -3.598 -0.870 6.188 394 HE2 LYS 48 HE2 LYS 48 -3.431 0.982 7.774 395 HE3 LYS 48 HE3 LYS 48 -5.055 0.305 7.719 396 HZ1 LYS 48 HZ1 LYS 48 -4.360 0.770 9.972 397 HZ2 LYS 48 HZ2 LYS 48 -3.018 -0.248 9.800 398 HZ3 LYS 48 HZ3 LYS 48 -4.583 -0.897 9.757 399 H ILE 49 H ILE 49 -1.179 -4.737 5.107 400 HA ILE 49 HA ILE 49 -2.701 -6.906 3.856 401 HB ILE 49 HB ILE 49 -0.345 -5.578 2.528 402 HG12 ILE 49 HG12 ILE 49 -3.146 -4.469 2.343 403 HG13 ILE 49 HG13 ILE 49 -1.975 -3.836 3.495 404 HG21 ILE 49 HG21 ILE 49 -1.373 -7.501 1.435 405 HG22 ILE 49 HG22 ILE 49 -1.669 -6.033 0.502 406 HG23 ILE 49 HG23 ILE 49 -2.950 -6.716 1.504 407 HD11 ILE 49 HD11 ILE 49 -0.486 -3.249 1.664 408 HD12 ILE 49 HD12 ILE 49 -2.065 -2.484 1.483 409 HD13 ILE 49 HD13 ILE 49 -1.648 -3.892 0.506 410 H ALA 50 H ALA 50 0.142 -6.394 5.697 411 HA ALA 50 HA ALA 50 1.758 -8.511 4.959 412 HB1 ALA 50 HB1 ALA 50 2.786 -8.340 7.119 413 HB2 ALA 50 HB2 ALA 50 1.387 -7.476 7.756 414 HB3 ALA 50 HB3 ALA 50 2.392 -6.725 6.517 415 HA PRO 51 HA PRO 51 -0.691 -11.710 7.547 416 HB2 PRO 51 HB2 PRO 51 -3.142 -11.186 8.516 417 HB3 PRO 51 HB3 PRO 51 -1.671 -10.826 9.427 418 HG2 PRO 51 HG2 PRO 51 -3.393 -8.990 7.813 419 HG3 PRO 51 HG3 PRO 51 -2.670 -8.737 9.413 420 HD2 PRO 51 HD2 PRO 51 -1.602 -7.741 7.118 421 HD3 PRO 51 HD3 PRO 51 -0.641 -8.157 8.545 422 H LEU 52 H LEU 52 -1.537 -10.029 4.905 423 HA LEU 52 HA LEU 52 -3.665 -11.888 4.072 424 HB2 LEU 52 HB2 LEU 52 -2.820 -9.225 2.912 425 HB3 LEU 52 HB3 LEU 52 -4.024 -10.276 2.197 426 HG LEU 52 HG LEU 52 -4.262 -8.950 4.902 427 HD11 LEU 52 HD11 LEU 52 -5.994 -7.588 3.801 428 HD12 LEU 52 HD12 LEU 52 -5.567 -8.323 2.255 429 HD13 LEU 52 HD13 LEU 52 -4.393 -7.321 3.109 430 HD21 LEU 52 HD21 LEU 52 -6.570 -9.741 4.825 431 HD22 LEU 52 HD22 LEU 52 -5.436 -11.090 4.765 432 HD23 LEU 52 HD23 LEU 52 -6.244 -10.552 3.292 433 H THR 53 H THR 53 -3.479 -12.184 1.507 434 HA THR 53 HA THR 53 -0.690 -12.383 0.688 435 HB THR 53 HB THR 53 -1.083 -14.564 1.583 436 HG1 THR 53 HG1 THR 53 -0.078 -15.383 -0.048 437 HG21 THR 53 HG21 THR 53 -3.549 -14.754 -0.132 438 HG22 THR 53 HG22 THR 53 -3.501 -14.611 1.624 439 HG23 THR 53 HG23 THR 53 -2.876 -16.062 0.839 440 H GLU 54 H GLU 54 -1.272 -13.599 -1.890 441 HA GLU 54 HA GLU 54 -1.636 -11.121 -3.218 442 HB2 GLU 54 HB2 GLU 54 -1.529 -13.894 -4.427 443 HB3 GLU 54 HB3 GLU 54 -1.348 -12.382 -5.300 444 HG2 GLU 54 HG2 GLU 54 0.511 -13.525 -3.246 445 HG3 GLU 54 HG3 GLU 54 0.790 -13.373 -4.979 446 H ASN 55 H ASN 55 -3.677 -13.995 -2.988 447 HA ASN 55 HA ASN 55 -5.633 -13.118 -4.834 448 HB2 ASN 55 HB2 ASN 55 -6.959 -15.008 -4.076 449 HB3 ASN 55 HB3 ASN 55 -5.285 -15.481 -4.268 450 HD21 ASN 55 HD21 ASN 55 -7.409 -16.758 -2.762 451 HD22 ASN 55 HD22 ASN 55 -6.844 -16.847 -1.130 452 H GLU 56 H GLU 56 -5.275 -12.684 -1.397 453 HA GLU 56 HA GLU 56 -7.857 -11.720 -0.811 454 HB2 GLU 56 HB2 GLU 56 -5.177 -11.353 0.509 455 HB3 GLU 56 HB3 GLU 56 -6.662 -10.694 1.180 456 HG2 GLU 56 HG2 GLU 56 -6.289 -13.610 0.575 457 HG3 GLU 56 HG3 GLU 56 -5.905 -12.878 2.133 458 H TYR 57 H TYR 57 -4.863 -10.075 -1.776 459 HA TYR 57 HA TYR 57 -6.013 -7.469 -1.522 460 HB2 TYR 57 HB2 TYR 57 -3.616 -7.670 -1.258 461 HB3 TYR 57 HB3 TYR 57 -3.450 -8.386 -2.860 462 HD1 TYR 57 HD1 TYR 57 -4.336 -5.246 -1.081 463 HD2 TYR 57 HD2 TYR 57 -3.219 -7.023 -4.786 464 HE1 TYR 57 HE1 TYR 57 -4.107 -3.015 -2.089 465 HE2 TYR 57 HE2 TYR 57 -2.980 -4.801 -5.793 466 HH TYR 57 HH TYR 57 -3.838 -2.544 -5.446 467 H ALA 58 H ALA 58 -5.653 -9.777 -4.171 468 HA ALA 58 HA ALA 58 -5.798 -7.920 -6.294 469 HB1 ALA 58 HB1 ALA 58 -6.011 -9.832 -7.747 470 HB2 ALA 58 HB2 ALA 58 -6.411 -10.859 -6.372 471 HB3 ALA 58 HB3 ALA 58 -4.802 -10.149 -6.500 472 H GLU 59 H GLU 59 -8.332 -9.484 -4.470 473 HA GLU 59 HA GLU 59 -10.417 -8.884 -6.361 474 HB2 GLU 59 HB2 GLU 59 -10.538 -9.692 -3.455 475 HB3 GLU 59 HB3 GLU 59 -11.945 -9.517 -4.499 476 HG2 GLU 59 HG2 GLU 59 -11.057 -11.260 -5.963 477 HG3 GLU 59 HG3 GLU 59 -9.671 -11.445 -4.886 478 H LEU 60 H LEU 60 -9.016 -7.309 -3.559 479 HA LEU 60 HA LEU 60 -11.049 -5.271 -3.303 480 HB2 LEU 60 HB2 LEU 60 -8.221 -5.078 -2.274 481 HB3 LEU 60 HB3 LEU 60 -9.662 -4.324 -1.626 482 HG LEU 60 HG LEU 60 -9.140 -7.300 -1.520 483 HD11 LEU 60 HD11 LEU 60 -8.704 -5.196 0.590 484 HD12 LEU 60 HD12 LEU 60 -7.440 -6.070 -0.276 485 HD13 LEU 60 HD13 LEU 60 -8.526 -6.937 0.809 486 HD21 LEU 60 HD21 LEU 60 -10.874 -7.277 0.211 487 HD22 LEU 60 HD22 LEU 60 -11.500 -6.715 -1.338 488 HD23 LEU 60 HD23 LEU 60 -11.127 -5.554 -0.062 489 H ALA 61 H ALA 61 -7.664 -5.299 -4.233 490 HA ALA 61 HA ALA 61 -6.337 -4.117 -5.565 491 HB1 ALA 61 HB1 ALA 61 -7.679 -5.333 -7.219 492 HB2 ALA 61 HB2 ALA 61 -7.051 -3.799 -7.826 493 HB3 ALA 61 HB3 ALA 61 -8.744 -3.929 -7.352 494 H ILE 62 H ILE 62 -8.629 -2.085 -7.117 495 HA ILE 62 HA ILE 62 -7.662 0.172 -5.484 496 HB ILE 62 HB ILE 62 -8.636 0.422 -8.336 497 HG12 ILE 62 HG12 ILE 62 -6.690 -1.048 -8.452 498 HG13 ILE 62 HG13 ILE 62 -6.282 0.539 -9.085 499 HG21 ILE 62 HG21 ILE 62 -6.960 2.244 -6.617 500 HG22 ILE 62 HG22 ILE 62 -8.660 2.465 -7.035 501 HG23 ILE 62 HG23 ILE 62 -7.425 2.548 -8.291 502 HD11 ILE 62 HD11 ILE 62 -5.141 1.069 -6.978 503 HD12 ILE 62 HD12 ILE 62 -4.466 -0.361 -7.764 504 HD13 ILE 62 HD13 ILE 62 -5.537 -0.541 -6.375 505 H PHE 63 H PHE 63 -9.333 0.060 -4.029 506 HA PHE 63 HA PHE 63 -12.046 0.267 -5.091 507 HB2 PHE 63 HB2 PHE 63 -12.804 -0.418 -2.832 508 HB3 PHE 63 HB3 PHE 63 -11.794 -1.610 -3.629 509 HD1 PHE 63 HD2 PHE 63 -9.546 -2.094 -2.785 510 HD2 PHE 63 HD1 PHE 63 -12.110 0.671 -0.804 511 HE1 PHE 63 HE2 PHE 63 -8.148 -2.238 -0.771 512 HE2 PHE 63 HE1 PHE 63 -10.713 0.520 1.213 513 HZ PHE 63 HZ PHE 63 -8.730 -0.933 1.228 514 H ALA 64 H ALA 64 -9.659 2.234 -3.814 515 HA ALA 64 HA ALA 64 -11.587 4.351 -3.268 516 HB1 ALA 64 HB1 ALA 64 -11.263 3.292 -1.081 517 HB2 ALA 64 HB2 ALA 64 -10.614 4.932 -1.113 518 HB3 ALA 64 HB3 ALA 64 -9.523 3.550 -1.216 519 H ALA 65 H ALA 65 -10.645 5.015 -5.300 520 HA ALA 65 HA ALA 65 -8.401 6.826 -4.693 521 HB1 ALA 65 HB1 ALA 65 -7.554 5.043 -6.153 522 HB2 ALA 65 HB2 ALA 65 -7.574 6.595 -6.988 523 HB3 ALA 65 HB3 ALA 65 -8.821 5.396 -7.327 524 H ASP 66 H ASP 66 -11.407 6.862 -4.744 525 HA ASP 66 HA ASP 66 -12.219 8.527 -6.938 526 HB2 ASP 66 HB2 ASP 66 -13.634 7.864 -4.348 527 HB3 ASP 66 HB3 ASP 66 -14.378 8.602 -5.760 528 H GLU 67 H GLU 67 -11.497 8.996 -3.521 529 HA GLU 67 HA GLU 67 -12.368 11.737 -3.504 530 HB2 GLU 67 HB2 GLU 67 -11.089 9.934 -1.473 531 HB3 GLU 67 HB3 GLU 67 -11.386 11.636 -1.144 532 HG2 GLU 67 HG2 GLU 67 -13.556 9.770 -2.023 533 HG3 GLU 67 HG3 GLU 67 -13.097 9.952 -0.328 534 H VAL 68 H VAL 68 -9.424 10.207 -4.327 535 HA VAL 68 HA VAL 68 -7.794 12.509 -3.570 536 HB VAL 68 HB VAL 68 -5.866 11.211 -4.433 537 HG11 VAL 68 HG11 VAL 68 -5.852 9.521 -2.656 538 HG12 VAL 68 HG12 VAL 68 -7.586 9.751 -2.430 539 HG13 VAL 68 HG13 VAL 68 -6.469 11.072 -2.085 540 HG21 VAL 68 HG21 VAL 68 -6.151 8.832 -4.989 541 HG22 VAL 68 HG22 VAL 68 -6.978 9.885 -6.138 542 HG23 VAL 68 HG23 VAL 68 -7.902 9.032 -4.902 543 H LEU 69 H LEU 69 -9.803 11.924 -6.045 544 HA LEU 69 HA LEU 69 -8.192 12.774 -8.263 545 HB2 LEU 69 HB2 LEU 69 -11.196 12.678 -7.990 546 HB3 LEU 69 HB3 LEU 69 -10.306 12.903 -9.486 547 HG LEU 69 HG LEU 69 -10.266 10.422 -7.762 548 HD11 LEU 69 HD11 LEU 69 -11.494 10.925 -10.465 549 HD12 LEU 69 HD12 LEU 69 -12.365 10.696 -8.948 550 HD13 LEU 69 HD13 LEU 69 -11.425 9.372 -9.634 551 HD21 LEU 69 HD21 LEU 69 -8.944 10.942 -10.422 552 HD22 LEU 69 HD22 LEU 69 -8.963 9.406 -9.553 553 HD23 LEU 69 HD23 LEU 69 -8.119 10.797 -8.871 554 H GLU 70 H GLU 70 -8.278 14.733 -9.333 555 HA GLU 70 HA GLU 70 -8.094 16.958 -9.567 556 HB2 GLU 70 HB2 GLU 70 -10.498 17.078 -8.827 557 HB3 GLU 70 HB3 GLU 70 -9.920 17.381 -7.197 558 HG2 GLU 70 HG2 GLU 70 -8.666 19.360 -8.179 559 HG3 GLU 70 HG3 GLU 70 -9.650 19.125 -9.623 560 H HIS 71 H HIS 71 -7.344 15.402 -6.604 561 HA HIS 71 HA HIS 71 -5.860 17.628 -5.472 562 HB2 HIS 71 HB2 HIS 71 -6.242 14.771 -4.558 563 HB3 HIS 71 HB3 HIS 71 -5.255 15.945 -3.691 564 HD1 HIS 71 HD1 HIS 71 -8.584 14.600 -3.760 565 HD2 HIS 71 HD2 HIS 71 -6.914 18.307 -2.915 566 HE1 HIS 71 HE1 HIS 71 -10.316 15.833 -2.438 567 HE2 HIS 71 HE2 HIS 71 -9.382 18.151 -2.163 568 H HIS 72 H HIS 72 -4.530 17.809 -7.368 569 HA HIS 72 HA HIS 72 -2.678 17.615 -8.627 570 HB2 HIS 72 HB2 HIS 72 -1.567 16.583 -6.015 571 HB3 HIS 72 HB3 HIS 72 -0.568 16.968 -7.412 572 HD1 HIS 72 HD1 HIS 72 -1.117 19.601 -8.307 573 HD2 HIS 72 HD2 HIS 72 -1.711 18.661 -4.302 574 HE1 HIS 72 HE1 HIS 72 -1.141 21.800 -7.091 575 HE2 HIS 72 HE2 HIS 72 -1.632 21.214 -4.689 576 H HIS 73 H HIS 73 -4.305 15.737 -9.367 577 HA HIS 73 HA HIS 73 -3.132 13.109 -9.344 578 HB2 HIS 73 HB2 HIS 73 -5.602 13.493 -9.427 579 HB3 HIS 73 HB3 HIS 73 -5.411 14.199 -11.024 580 HD1 HIS 73 HD1 HIS 73 -5.580 12.628 -12.956 581 HD2 HIS 73 HD2 HIS 73 -4.911 10.628 -9.372 582 HE1 HIS 73 HE1 HIS 73 -5.783 10.185 -13.499 583 HE2 HIS 73 HE2 HIS 73 -5.453 8.996 -11.303 584 H HIS 74 H HIS 74 -1.864 12.209 -10.843 585 HA HIS 74 HA HIS 74 -0.474 13.806 -12.724 586 HB2 HIS 74 HB2 HIS 74 0.363 11.718 -11.494 587 HB3 HIS 74 HB3 HIS 74 -0.542 10.786 -12.680 588 HD1 HIS 74 HD1 HIS 74 0.455 10.561 -15.026 589 HD2 HIS 74 HD2 HIS 74 2.680 12.991 -12.493 590 HE1 HIS 74 HE1 HIS 74 2.629 10.955 -16.211 591 HE2 HIS 74 HE2 HIS 74 4.017 12.300 -14.592 592 H HIS 75 H HIS 75 -0.739 14.043 -14.904 593 HA HIS 75 HA HIS 75 -3.298 13.560 -16.040 594 HB2 HIS 75 HB2 HIS 75 -0.710 14.363 -17.395 595 HB3 HIS 75 HB3 HIS 75 -2.286 14.370 -18.169 596 HD1 HIS 75 HD1 HIS 75 -3.875 16.332 -17.611 597 HD2 HIS 75 HD2 HIS 75 -0.228 16.495 -15.612 598 HE1 HIS 75 HE1 HIS 75 -3.720 18.653 -16.657 599 HE2 HIS 75 HE2 HIS 75 -1.567 18.687 -15.352 600 H HIS 76 H HIS 76 -4.034 11.689 -16.727 601 HA HIS 76 HA HIS 76 -2.140 9.548 -17.345 602 HB2 HIS 76 HB2 HIS 76 -3.986 9.323 -15.587 603 HB3 HIS 76 HB3 HIS 76 -5.121 9.284 -16.927 604 HD1 HIS 76 HD1 HIS 76 -2.608 7.225 -15.125 605 HD2 HIS 76 HD2 HIS 76 -5.061 6.907 -18.470 606 HE1 HIS 76 HE1 HIS 76 -2.600 4.790 -15.746 607 HE2 HIS 76 HE2 HIS 76 -4.240 4.597 -17.644 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -11.291 -10.496 3.096 2 H2 MET 1 H2 MET 1 -12.119 -10.026 4.498 3 H3 MET 1 H3 MET 1 -10.468 -9.698 4.340 4 HA MET 1 HA MET 1 -10.875 -8.187 2.546 5 HB2 MET 1 HB2 MET 1 -12.961 -9.503 1.836 6 HB3 MET 1 HB3 MET 1 -13.826 -8.604 3.072 7 HG2 MET 1 HG2 MET 1 -12.303 -7.213 0.895 8 HG3 MET 1 HG3 MET 1 -13.945 -7.798 0.639 9 HE1 MET 1 HE1 MET 1 -14.413 -3.919 0.980 10 HE2 MET 1 HE2 MET 1 -14.646 -5.333 -0.047 11 HE3 MET 1 HE3 MET 1 -13.019 -4.726 0.267 12 H ILE 2 H ILE 2 -10.190 -6.465 3.602 13 HA ILE 2 HA ILE 2 -11.625 -5.591 6.009 14 HB ILE 2 HB ILE 2 -9.603 -4.132 6.413 15 HG12 ILE 2 HG12 ILE 2 -8.338 -5.906 4.298 16 HG13 ILE 2 HG13 ILE 2 -8.699 -4.194 4.098 17 HG21 ILE 2 HG21 ILE 2 -8.262 -5.968 7.341 18 HG22 ILE 2 HG22 ILE 2 -9.214 -7.121 6.403 19 HG23 ILE 2 HG23 ILE 2 -9.985 -6.160 7.664 20 HD11 ILE 2 HD11 ILE 2 -6.349 -4.545 4.573 21 HD12 ILE 2 HD12 ILE 2 -6.762 -5.373 6.074 22 HD13 ILE 2 HD13 ILE 2 -7.125 -3.657 5.885 23 H ARG 3 H ARG 3 -12.047 -3.332 6.297 24 HA ARG 3 HA ARG 3 -12.662 -2.002 3.767 25 HB2 ARG 3 HB2 ARG 3 -14.420 -2.298 5.608 26 HB3 ARG 3 HB3 ARG 3 -13.509 -1.119 6.538 27 HG2 ARG 3 HG2 ARG 3 -14.399 -0.403 3.779 28 HG3 ARG 3 HG3 ARG 3 -15.579 -0.399 5.090 29 HD2 ARG 3 HD2 ARG 3 -14.398 1.264 6.280 30 HD3 ARG 3 HD3 ARG 3 -12.957 1.056 5.289 31 HE ARG 3 HE ARG 3 -14.994 1.865 3.587 32 HH11 ARG 3 HH11 ARG 3 -13.275 3.194 6.362 33 HH12 ARG 3 HH12 ARG 3 -13.428 4.836 5.816 34 HH21 ARG 3 HH21 ARG 3 -15.154 4.000 2.874 35 HH22 ARG 3 HH22 ARG 3 -14.512 5.297 3.841 36 H LEU 4 H LEU 4 -11.180 -0.739 3.028 37 HA LEU 4 HA LEU 4 -9.212 0.422 4.836 38 HB2 LEU 4 HB2 LEU 4 -9.227 -0.010 1.857 39 HB3 LEU 4 HB3 LEU 4 -7.963 0.871 2.698 40 HG LEU 4 HG LEU 4 -8.699 -1.973 3.356 41 HD11 LEU 4 HD11 LEU 4 -6.672 -2.599 2.121 42 HD12 LEU 4 HD12 LEU 4 -6.525 -0.935 1.547 43 HD13 LEU 4 HD13 LEU 4 -7.915 -1.913 1.073 44 HD21 LEU 4 HD21 LEU 4 -7.596 -0.660 5.112 45 HD22 LEU 4 HD22 LEU 4 -6.271 -0.305 3.999 46 HD23 LEU 4 HD23 LEU 4 -6.574 -1.965 4.512 47 H THR 5 H THR 5 -8.434 2.578 4.456 48 HA THR 5 HA THR 5 -10.656 4.371 3.906 49 HB THR 5 HB THR 5 -9.348 4.642 6.004 50 HG1 THR 5 HG1 THR 5 -8.720 7.031 5.287 51 HG21 THR 5 HG21 THR 5 -7.133 4.043 5.209 52 HG22 THR 5 HG22 THR 5 -7.116 5.647 5.944 53 HG23 THR 5 HG23 THR 5 -7.092 5.476 4.187 54 H ILE 6 H ILE 6 -10.029 6.452 2.725 55 HA ILE 6 HA ILE 6 -9.360 5.667 0.079 56 HB ILE 6 HB ILE 6 -9.520 8.554 0.921 57 HG12 ILE 6 HG12 ILE 6 -11.447 7.523 2.017 58 HG13 ILE 6 HG13 ILE 6 -11.982 8.485 0.649 59 HG21 ILE 6 HG21 ILE 6 -10.547 8.835 -1.285 60 HG22 ILE 6 HG22 ILE 6 -10.397 7.100 -1.573 61 HG23 ILE 6 HG23 ILE 6 -8.949 8.095 -1.392 62 HD11 ILE 6 HD11 ILE 6 -11.754 5.485 0.747 63 HD12 ILE 6 HD12 ILE 6 -12.236 6.425 -0.665 64 HD13 ILE 6 HD13 ILE 6 -13.242 6.435 0.785 65 H GLU 7 H GLU 7 -7.550 7.100 2.672 66 HA GLU 7 HA GLU 7 -5.441 8.262 1.214 67 HB2 GLU 7 HB2 GLU 7 -5.450 7.199 4.039 68 HB3 GLU 7 HB3 GLU 7 -4.174 8.184 3.346 69 HG2 GLU 7 HG2 GLU 7 -5.371 9.723 4.538 70 HG3 GLU 7 HG3 GLU 7 -6.068 9.898 2.931 71 H GLU 8 H GLU 8 -5.738 5.059 2.739 72 HA GLU 8 HA GLU 8 -3.138 4.122 2.131 73 HB2 GLU 8 HB2 GLU 8 -5.646 2.452 2.417 74 HB3 GLU 8 HB3 GLU 8 -3.993 1.880 2.563 75 HG2 GLU 8 HG2 GLU 8 -5.448 3.728 4.421 76 HG3 GLU 8 HG3 GLU 8 -4.982 2.060 4.730 77 H THR 9 H THR 9 -6.210 3.905 0.475 78 HA THR 9 HA THR 9 -5.294 2.202 -1.625 79 HB THR 9 HB THR 9 -7.814 3.862 -1.730 80 HG1 THR 9 HG1 THR 9 -8.121 2.917 0.213 81 HG21 THR 9 HG21 THR 9 -7.141 1.071 -2.685 82 HG22 THR 9 HG22 THR 9 -7.260 2.506 -3.704 83 HG23 THR 9 HG23 THR 9 -8.693 1.885 -2.886 84 H ASN 10 H ASN 10 -5.421 5.659 -1.138 85 HA ASN 10 HA ASN 10 -5.204 6.467 -3.855 86 HB2 ASN 10 HB2 ASN 10 -5.967 7.973 -2.036 87 HB3 ASN 10 HB3 ASN 10 -4.339 7.967 -1.374 88 HD21 ASN 10 HD21 ASN 10 -6.366 9.064 -3.990 89 HD22 ASN 10 HD22 ASN 10 -5.282 10.272 -4.580 90 H LEU 11 H LEU 11 -2.823 5.706 -1.364 91 HA LEU 11 HA LEU 11 -0.560 6.436 -2.964 92 HB2 LEU 11 HB2 LEU 11 -0.523 6.322 -0.488 93 HB3 LEU 11 HB3 LEU 11 -0.680 4.579 -0.593 94 HG LEU 11 HG LEU 11 1.483 4.505 -1.828 95 HD11 LEU 11 HD11 LEU 11 1.668 7.402 -1.027 96 HD12 LEU 11 HD12 LEU 11 1.514 6.797 -2.676 97 HD13 LEU 11 HD13 LEU 11 2.963 6.435 -1.735 98 HD21 LEU 11 HD21 LEU 11 1.561 5.807 0.865 99 HD22 LEU 11 HD22 LEU 11 2.844 4.849 0.124 100 HD23 LEU 11 HD23 LEU 11 1.312 4.088 0.559 101 H LEU 12 H LEU 12 -2.371 3.480 -2.376 102 HA LEU 12 HA LEU 12 -0.831 1.704 -3.933 103 HB2 LEU 12 HB2 LEU 12 -3.817 1.752 -3.478 104 HB3 LEU 12 HB3 LEU 12 -2.923 0.404 -4.147 105 HG LEU 12 HG LEU 12 -2.475 1.480 -1.366 106 HD11 LEU 12 HD11 LEU 12 -4.156 -0.859 -2.264 107 HD12 LEU 12 HD12 LEU 12 -4.760 0.650 -1.580 108 HD13 LEU 12 HD13 LEU 12 -3.782 -0.437 -0.594 109 HD21 LEU 12 HD21 LEU 12 -1.370 -0.673 -1.012 110 HD22 LEU 12 HD22 LEU 12 -0.595 0.243 -2.307 111 HD23 LEU 12 HD23 LEU 12 -1.668 -1.102 -2.697 112 H SER 13 H SER 13 -3.310 4.064 -4.773 113 HA SER 13 HA SER 13 -3.589 3.341 -7.502 114 HB2 SER 13 HB2 SER 13 -5.275 4.622 -6.186 115 HB3 SER 13 HB3 SER 13 -4.186 6.006 -6.198 116 HG SER 13 HG SER 13 -4.723 4.879 -8.663 117 H ILE 14 H ILE 14 -1.277 5.322 -5.796 118 HA ILE 14 HA ILE 14 -0.218 6.743 -8.025 119 HB ILE 14 HB ILE 14 1.002 6.071 -5.327 120 HG12 ILE 14 HG12 ILE 14 -0.227 8.642 -6.348 121 HG13 ILE 14 HG13 ILE 14 -1.060 7.472 -5.335 122 HG21 ILE 14 HG21 ILE 14 2.801 6.561 -6.905 123 HG22 ILE 14 HG22 ILE 14 2.621 7.866 -5.729 124 HG23 ILE 14 HG23 ILE 14 1.998 8.063 -7.370 125 HD11 ILE 14 HD11 ILE 14 -0.284 9.360 -4.044 126 HD12 ILE 14 HD12 ILE 14 1.374 9.059 -4.565 127 HD13 ILE 14 HD13 ILE 14 0.542 7.883 -3.545 128 H TYR 15 H TYR 15 0.400 3.578 -6.601 129 HA TYR 15 HA TYR 15 2.458 3.116 -8.640 130 HB2 TYR 15 HB2 TYR 15 2.022 1.767 -5.971 131 HB3 TYR 15 HB3 TYR 15 3.155 1.168 -7.183 132 HD1 TYR 15 HD2 TYR 15 4.957 2.763 -8.000 133 HD2 TYR 15 HD1 TYR 15 2.688 3.465 -4.473 134 HE1 TYR 15 HE2 TYR 15 6.653 4.365 -7.237 135 HE2 TYR 15 HE1 TYR 15 4.382 5.083 -3.705 136 HH TYR 15 HH TYR 15 6.659 5.676 -4.067 137 H ASN 16 H ASN 16 0.571 0.709 -6.914 138 HA ASN 16 HA ASN 16 -0.657 -1.070 -7.508 139 HB2 ASN 16 HB2 ASN 16 -2.218 0.830 -8.150 140 HB3 ASN 16 HB3 ASN 16 -1.727 0.551 -9.816 141 HD21 ASN 16 HD21 ASN 16 -3.747 -0.071 -10.488 142 HD22 ASN 16 HD22 ASN 16 -4.488 -1.554 -10.004 143 H GLU 17 H GLU 17 1.070 -2.337 -7.994 144 HA GLU 17 HA GLU 17 1.261 -3.177 -10.774 145 HB2 GLU 17 HB2 GLU 17 2.982 -1.423 -10.480 146 HB3 GLU 17 HB3 GLU 17 3.648 -2.305 -9.117 147 HG2 GLU 17 HG2 GLU 17 4.280 -4.133 -10.606 148 HG3 GLU 17 HG3 GLU 17 3.591 -3.251 -11.971 149 H GLY 18 H GLY 18 0.999 -5.344 -10.692 150 HA2 GLY 18 HA2 GLY 18 1.714 -7.506 -10.372 151 HA3 GLY 18 HA3 GLY 18 2.970 -6.890 -9.326 152 H GLY 19 H GLY 19 -0.335 -6.130 -8.543 153 HA2 GLY 19 HA2 GLY 19 -1.815 -7.019 -7.002 154 HA3 GLY 19 HA3 GLY 19 -0.836 -8.477 -6.968 155 H LYS 20 H LYS 20 -0.977 -8.657 -4.716 156 HA LYS 20 HA LYS 20 -0.357 -6.607 -2.875 157 HB2 LYS 20 HB2 LYS 20 -1.670 -8.577 -2.273 158 HB3 LYS 20 HB3 LYS 20 -0.305 -9.626 -2.593 159 HG2 LYS 20 HG2 LYS 20 -0.029 -7.545 -0.489 160 HG3 LYS 20 HG3 LYS 20 -1.022 -8.961 -0.152 161 HD2 LYS 20 HD2 LYS 20 0.950 -10.357 -0.857 162 HD3 LYS 20 HD3 LYS 20 1.896 -8.871 -0.875 163 HE2 LYS 20 HE2 LYS 20 1.333 -8.494 1.469 164 HE3 LYS 20 HE3 LYS 20 0.422 -10.002 1.490 165 HZ1 LYS 20 HZ1 LYS 20 2.625 -10.288 2.418 166 HZ2 LYS 20 HZ2 LYS 20 3.338 -9.747 0.981 167 HZ3 LYS 20 HZ3 LYS 20 2.462 -11.198 0.995 168 H ARG 21 H ARG 21 1.574 -9.116 -4.371 169 HA ARG 21 HA ARG 21 3.840 -8.818 -2.678 170 HB2 ARG 21 HB2 ARG 21 3.058 -10.869 -3.922 171 HB3 ARG 21 HB3 ARG 21 3.702 -10.131 -5.377 172 HG2 ARG 21 HG2 ARG 21 5.928 -10.224 -4.525 173 HG3 ARG 21 HG3 ARG 21 5.350 -10.738 -2.934 174 HD2 ARG 21 HD2 ARG 21 6.197 -12.627 -4.237 175 HD3 ARG 21 HD3 ARG 21 4.471 -12.787 -3.890 176 HE ARG 21 HE ARG 21 5.427 -11.755 -6.486 177 HH11 ARG 21 HH11 ARG 21 3.538 -14.105 -4.685 178 HH12 ARG 21 HH12 ARG 21 2.740 -14.713 -6.102 179 HH21 ARG 21 HH21 ARG 21 4.348 -12.530 -8.301 180 HH22 ARG 21 HH22 ARG 21 3.186 -13.813 -8.149 181 H GLY 22 H GLY 22 3.136 -7.888 -6.040 182 HA2 GLY 22 HA2 GLY 22 5.584 -6.565 -6.520 183 HA3 GLY 22 HA3 GLY 22 4.098 -6.339 -7.426 184 H LEU 23 H LEU 23 2.548 -5.427 -5.113 185 HA LEU 23 HA LEU 23 3.173 -2.680 -5.014 186 HB2 LEU 23 HB2 LEU 23 1.181 -4.416 -3.829 187 HB3 LEU 23 HB3 LEU 23 1.740 -3.225 -2.672 188 HG LEU 23 HG LEU 23 -0.179 -2.303 -3.692 189 HD11 LEU 23 HD11 LEU 23 1.623 -0.696 -3.426 190 HD12 LEU 23 HD12 LEU 23 0.640 -0.309 -4.839 191 HD13 LEU 23 HD13 LEU 23 2.216 -1.076 -5.043 192 HD21 LEU 23 HD21 LEU 23 1.042 -2.937 -6.366 193 HD22 LEU 23 HD22 LEU 23 -0.461 -2.051 -6.104 194 HD23 LEU 23 HD23 LEU 23 -0.340 -3.745 -5.626 195 H MET 24 H MET 24 3.963 -5.324 -2.829 196 HA MET 24 HA MET 24 5.249 -3.701 -0.884 197 HB2 MET 24 HB2 MET 24 5.274 -6.639 -1.461 198 HB3 MET 24 HB3 MET 24 6.388 -5.951 -0.285 199 HG2 MET 24 HG2 MET 24 4.427 -4.979 0.891 200 HG3 MET 24 HG3 MET 24 3.389 -5.867 -0.220 201 HE1 MET 24 HE1 MET 24 3.739 -5.910 3.124 202 HE2 MET 24 HE2 MET 24 3.276 -7.591 3.390 203 HE3 MET 24 HE3 MET 24 2.371 -6.598 2.247 204 H GLU 25 H GLU 25 6.427 -5.439 -3.755 205 HA GLU 25 HA GLU 25 9.177 -4.972 -3.385 206 HB2 GLU 25 HB2 GLU 25 7.598 -5.300 -5.941 207 HB3 GLU 25 HB3 GLU 25 9.349 -5.366 -5.837 208 HG2 GLU 25 HG2 GLU 25 7.482 -7.255 -4.422 209 HG3 GLU 25 HG3 GLU 25 8.258 -7.582 -5.971 210 H ASN 26 H ASN 26 6.664 -3.054 -4.932 211 HA ASN 26 HA ASN 26 8.460 -1.127 -6.079 212 HB2 ASN 26 HB2 ASN 26 6.073 -1.898 -6.857 213 HB3 ASN 26 HB3 ASN 26 5.513 -0.663 -5.740 214 HD21 ASN 26 HD21 ASN 26 5.291 -0.841 -8.659 215 HD22 ASN 26 HD22 ASN 26 5.983 0.621 -9.267 216 H ILE 27 H ILE 27 6.265 -1.179 -3.266 217 HA ILE 27 HA ILE 27 6.709 1.566 -2.627 218 HB ILE 27 HB ILE 27 5.339 -0.662 -1.127 219 HG12 ILE 27 HG12 ILE 27 4.344 1.916 -2.370 220 HG13 ILE 27 HG13 ILE 27 4.193 0.315 -3.081 221 HG21 ILE 27 HG21 ILE 27 5.635 2.186 -0.183 222 HG22 ILE 27 HG22 ILE 27 6.351 0.761 0.573 223 HG23 ILE 27 HG23 ILE 27 4.598 0.959 0.545 224 HD11 ILE 27 HD11 ILE 27 2.097 1.051 -2.085 225 HD12 ILE 27 HD12 ILE 27 2.893 1.238 -0.522 226 HD13 ILE 27 HD13 ILE 27 2.733 -0.363 -1.244 227 H ASN 28 H ASN 28 8.154 -1.481 -1.407 228 HA ASN 28 HA ASN 28 9.704 -0.300 0.646 229 HB2 ASN 28 HB2 ASN 28 9.876 -2.866 -0.845 230 HB3 ASN 28 HB3 ASN 28 11.307 -2.332 0.027 231 HD21 ASN 28 HD21 ASN 28 8.184 -3.683 0.254 232 HD22 ASN 28 HD22 ASN 28 8.171 -3.919 1.972 233 H ALA 29 H ALA 29 10.279 -0.690 -2.788 234 HA ALA 29 HA ALA 29 12.994 0.192 -2.757 235 HB1 ALA 29 HB1 ALA 29 11.026 0.094 -5.036 236 HB2 ALA 29 HB2 ALA 29 12.094 -1.218 -4.535 237 HB3 ALA 29 HB3 ALA 29 12.772 0.278 -5.179 238 H ALA 30 H ALA 30 9.992 1.850 -2.603 239 HA ALA 30 HA ALA 30 11.262 4.387 -3.390 240 HB1 ALA 30 HB1 ALA 30 9.397 3.711 -4.815 241 HB2 ALA 30 HB2 ALA 30 9.044 5.196 -3.933 242 HB3 ALA 30 HB3 ALA 30 8.342 3.670 -3.403 243 H LEU 31 H LEU 31 10.979 2.882 -0.659 244 HA LEU 31 HA LEU 31 9.445 4.572 1.011 245 HB2 LEU 31 HB2 LEU 31 11.641 2.624 1.615 246 HB3 LEU 31 HB3 LEU 31 10.909 3.599 2.873 247 HG LEU 31 HG LEU 31 9.420 1.655 1.103 248 HD11 LEU 31 HD11 LEU 31 10.254 1.429 3.991 249 HD12 LEU 31 HD12 LEU 31 10.945 0.530 2.639 250 HD13 LEU 31 HD13 LEU 31 9.263 0.273 3.100 251 HD21 LEU 31 HD21 LEU 31 8.527 3.213 3.526 252 HD22 LEU 31 HD22 LEU 31 7.569 2.013 2.658 253 HD23 LEU 31 HD23 LEU 31 8.035 3.516 1.861 254 HA PRO 32 HA PRO 32 13.387 7.220 1.866 255 HB2 PRO 32 HB2 PRO 32 15.483 7.087 0.170 256 HB3 PRO 32 HB3 PRO 32 15.360 6.081 1.618 257 HG2 PRO 32 HG2 PRO 32 14.738 5.391 -1.226 258 HG3 PRO 32 HG3 PRO 32 15.631 4.451 -0.015 259 HD2 PRO 32 HD2 PRO 32 13.040 3.966 -0.608 260 HD3 PRO 32 HD3 PRO 32 13.719 3.710 1.009 261 H PHE 33 H PHE 33 11.533 6.824 -0.760 262 HA PHE 33 HA PHE 33 12.304 9.365 -2.025 263 HB2 PHE 33 HB2 PHE 33 10.855 6.982 -3.234 264 HB3 PHE 33 HB3 PHE 33 11.144 8.509 -4.062 265 HD1 PHE 33 HD2 PHE 33 13.532 9.223 -4.476 266 HD2 PHE 33 HD1 PHE 33 12.485 5.304 -3.204 267 HE1 PHE 33 HE2 PHE 33 15.717 8.394 -5.235 268 HE2 PHE 33 HE1 PHE 33 14.670 4.473 -3.954 269 HZ PHE 33 HZ PHE 33 16.288 6.018 -4.972 270 H MET 34 H MET 34 10.026 9.881 -3.418 271 HA MET 34 HA MET 34 7.984 10.813 -3.381 272 HB2 MET 34 HB2 MET 34 7.452 9.039 -0.992 273 HB3 MET 34 HB3 MET 34 6.238 10.014 -1.803 274 HG2 MET 34 HG2 MET 34 6.528 8.719 -3.837 275 HG3 MET 34 HG3 MET 34 7.789 7.765 -3.059 276 HE1 MET 34 HE1 MET 34 5.794 5.816 -0.308 277 HE2 MET 34 HE2 MET 34 6.666 7.336 -0.120 278 HE3 MET 34 HE3 MET 34 7.361 6.036 -1.091 279 H ASP 35 H ASP 35 7.967 10.438 0.096 280 HA ASP 35 HA ASP 35 9.030 12.968 0.797 281 HB2 ASP 35 HB2 ASP 35 6.790 13.668 -0.179 282 HB3 ASP 35 HB3 ASP 35 6.004 12.681 1.044 283 H GLU 36 H GLU 36 8.774 13.220 3.239 284 HA GLU 36 HA GLU 36 9.087 10.753 4.586 285 HB2 GLU 36 HB2 GLU 36 9.181 12.132 6.630 286 HB3 GLU 36 HB3 GLU 36 10.216 12.758 5.359 287 HG2 GLU 36 HG2 GLU 36 8.547 14.466 4.835 288 HG3 GLU 36 HG3 GLU 36 7.499 13.826 6.099 289 H ASP 37 H ASP 37 6.341 12.893 4.133 290 HA ASP 37 HA ASP 37 4.646 11.610 6.058 291 HB2 ASP 37 HB2 ASP 37 4.242 13.925 5.534 292 HB3 ASP 37 HB3 ASP 37 4.124 13.570 3.817 293 H MET 38 H MET 38 5.090 11.452 2.560 294 HA MET 38 HA MET 38 3.104 9.501 2.041 295 HB2 MET 38 HB2 MET 38 5.267 10.792 0.573 296 HB3 MET 38 HB3 MET 38 5.022 9.118 0.098 297 HG2 MET 38 HG2 MET 38 2.782 9.525 -0.536 298 HG3 MET 38 HG3 MET 38 2.788 11.124 0.215 299 HE1 MET 38 HE1 MET 38 1.733 12.026 -2.102 300 HE2 MET 38 HE2 MET 38 1.826 10.381 -2.736 301 HE3 MET 38 HE3 MET 38 2.480 11.727 -3.672 302 H ARG 39 H ARG 39 6.406 9.261 3.155 303 HA ARG 39 HA ARG 39 6.750 6.464 2.777 304 HB2 ARG 39 HB2 ARG 39 8.649 7.980 3.094 305 HB3 ARG 39 HB3 ARG 39 8.089 8.361 4.715 306 HG2 ARG 39 HG2 ARG 39 8.345 5.865 5.200 307 HG3 ARG 39 HG3 ARG 39 9.262 5.794 3.693 308 HD2 ARG 39 HD2 ARG 39 10.794 6.062 5.505 309 HD3 ARG 39 HD3 ARG 39 10.751 7.567 4.585 310 HE ARG 39 HE ARG 39 8.980 7.454 6.884 311 HH11 ARG 39 HH11 ARG 39 12.190 8.326 5.759 312 HH12 ARG 39 HH12 ARG 39 12.433 9.507 7.009 313 HH21 ARG 39 HH21 ARG 39 9.306 8.976 8.504 314 HH22 ARG 39 HH22 ARG 39 10.790 9.876 8.582 315 H GLU 40 H GLU 40 5.700 8.440 5.578 316 HA GLU 40 HA GLU 40 5.347 6.236 7.323 317 HB2 GLU 40 HB2 GLU 40 4.081 8.976 7.412 318 HB3 GLU 40 HB3 GLU 40 3.971 7.783 8.697 319 HG2 GLU 40 HG2 GLU 40 6.448 9.150 7.695 320 HG3 GLU 40 HG3 GLU 40 5.656 9.380 9.253 321 H LEU 41 H LEU 41 3.214 7.797 5.023 322 HA LEU 41 HA LEU 41 0.882 6.315 5.571 323 HB2 LEU 41 HB2 LEU 41 0.834 8.283 4.159 324 HB3 LEU 41 HB3 LEU 41 1.935 7.545 3.017 325 HG LEU 41 HG LEU 41 0.185 5.912 2.405 326 HD11 LEU 41 HD11 LEU 41 -1.592 7.541 4.203 327 HD12 LEU 41 HD12 LEU 41 -1.089 5.872 4.468 328 HD13 LEU 41 HD13 LEU 41 -2.121 6.275 3.096 329 HD21 LEU 41 HD21 LEU 41 0.449 7.950 1.105 330 HD22 LEU 41 HD22 LEU 41 -0.669 8.790 2.182 331 HD23 LEU 41 HD23 LEU 41 -1.242 7.458 1.179 332 H ALA 42 H ALA 42 3.614 5.718 3.392 333 HA ALA 42 HA ALA 42 2.717 3.373 2.166 334 HB1 ALA 42 HB1 ALA 42 4.537 4.780 1.329 335 HB2 ALA 42 HB2 ALA 42 5.008 3.084 1.451 336 HB3 ALA 42 HB3 ALA 42 5.552 4.238 2.666 337 H LYS 43 H LYS 43 4.534 3.828 5.133 338 HA LYS 43 HA LYS 43 5.215 1.135 5.610 339 HB2 LYS 43 HB2 LYS 43 4.907 3.522 7.415 340 HB3 LYS 43 HB3 LYS 43 5.405 1.946 8.014 341 HG2 LYS 43 HG2 LYS 43 7.412 1.992 6.800 342 HG3 LYS 43 HG3 LYS 43 6.851 3.312 5.774 343 HD2 LYS 43 HD2 LYS 43 8.480 4.114 7.387 344 HD3 LYS 43 HD3 LYS 43 6.897 4.826 7.697 345 HE2 LYS 43 HE2 LYS 43 6.536 3.124 9.467 346 HE3 LYS 43 HE3 LYS 43 8.181 2.544 9.200 347 HZ1 LYS 43 HZ1 LYS 43 7.458 5.309 10.019 348 HZ2 LYS 43 HZ2 LYS 43 9.029 4.690 9.850 349 HZ3 LYS 43 HZ3 LYS 43 8.009 4.097 11.069 350 H ARG 44 H ARG 44 2.365 3.044 6.432 351 HA ARG 44 HA ARG 44 1.119 0.959 7.982 352 HB2 ARG 44 HB2 ARG 44 -0.071 3.467 6.791 353 HB3 ARG 44 HB3 ARG 44 -0.821 2.447 8.010 354 HG2 ARG 44 HG2 ARG 44 0.881 3.025 9.610 355 HG3 ARG 44 HG3 ARG 44 1.771 3.930 8.383 356 HD2 ARG 44 HD2 ARG 44 -0.309 5.354 8.133 357 HD3 ARG 44 HD3 ARG 44 -0.899 4.575 9.600 358 HE ARG 44 HE ARG 44 1.111 5.492 10.722 359 HH11 ARG 44 HH11 ARG 44 -0.038 7.013 7.776 360 HH12 ARG 44 HH12 ARG 44 0.690 8.548 8.138 361 HH21 ARG 44 HH21 ARG 44 2.047 7.513 11.200 362 HH22 ARG 44 HH22 ARG 44 1.853 8.841 10.099 363 H THR 45 H THR 45 1.102 1.983 4.635 364 HA THR 45 HA THR 45 -1.229 0.507 3.881 365 HB THR 45 HB THR 45 0.923 1.482 1.974 366 HG1 THR 45 HG1 THR 45 -0.853 2.919 3.560 367 HG21 THR 45 HG21 THR 45 -0.882 0.104 1.035 368 HG22 THR 45 HG22 THR 45 -0.957 1.771 0.457 369 HG23 THR 45 HG23 THR 45 -2.074 1.217 1.715 370 H LEU 46 H LEU 46 2.254 -0.144 3.915 371 HA LEU 46 HA LEU 46 1.982 -2.786 2.843 372 HB2 LEU 46 HB2 LEU 46 4.163 -1.562 4.514 373 HB3 LEU 46 HB3 LEU 46 4.244 -3.160 3.802 374 HG LEU 46 HG LEU 46 4.163 -0.528 2.332 375 HD11 LEU 46 HD11 LEU 46 6.289 -1.046 3.342 376 HD12 LEU 46 HD12 LEU 46 6.390 -1.254 1.592 377 HD13 LEU 46 HD13 LEU 46 6.256 -2.665 2.646 378 HD21 LEU 46 HD21 LEU 46 4.254 -3.333 1.213 379 HD22 LEU 46 HD22 LEU 46 4.403 -1.837 0.290 380 HD23 LEU 46 HD23 LEU 46 2.885 -2.225 1.103 381 H ALA 47 H ALA 47 1.709 -1.394 6.027 382 HA ALA 47 HA ALA 47 2.159 -3.742 7.541 383 HB1 ALA 47 HB1 ALA 47 1.290 -2.498 9.424 384 HB2 ALA 47 HB2 ALA 47 0.640 -1.271 8.334 385 HB3 ALA 47 HB3 ALA 47 2.385 -1.491 8.475 386 H LYS 48 H LYS 48 -0.761 -2.371 6.117 387 HA LYS 48 HA LYS 48 -2.404 -4.242 7.570 388 HB2 LYS 48 HB2 LYS 48 -4.114 -2.869 7.192 389 HB3 LYS 48 HB3 LYS 48 -2.885 -1.729 6.705 390 HG2 LYS 48 HG2 LYS 48 -4.255 -3.525 4.745 391 HG3 LYS 48 HG3 LYS 48 -4.940 -1.985 5.248 392 HD2 LYS 48 HD2 LYS 48 -3.061 -0.795 4.366 393 HD3 LYS 48 HD3 LYS 48 -2.207 -2.310 4.024 394 HE2 LYS 48 HE2 LYS 48 -4.067 -2.949 2.514 395 HE3 LYS 48 HE3 LYS 48 -4.784 -1.363 2.786 396 HZ1 LYS 48 HZ1 LYS 48 -2.095 -1.818 1.633 397 HZ2 LYS 48 HZ2 LYS 48 -2.898 -0.333 1.786 398 HZ3 LYS 48 HZ3 LYS 48 -3.497 -1.512 0.733 399 H ILE 49 H ILE 49 -0.752 -4.268 4.543 400 HA ILE 49 HA ILE 49 -2.434 -6.500 3.658 401 HB ILE 49 HB ILE 49 -1.080 -6.571 1.573 402 HG12 ILE 49 HG12 ILE 49 0.007 -3.904 2.501 403 HG13 ILE 49 HG13 ILE 49 0.926 -5.402 2.439 404 HG21 ILE 49 HG21 ILE 49 -2.546 -4.017 2.148 405 HG22 ILE 49 HG22 ILE 49 -3.247 -5.543 1.610 406 HG23 ILE 49 HG23 ILE 49 -2.169 -4.643 0.543 407 HD11 ILE 49 HD11 ILE 49 1.424 -3.975 0.537 408 HD12 ILE 49 HD12 ILE 49 -0.279 -3.976 0.077 409 HD13 ILE 49 HD13 ILE 49 0.653 -5.473 0.015 410 H ALA 50 H ALA 50 0.452 -5.992 5.377 411 HA ALA 50 HA ALA 50 1.875 -8.294 4.790 412 HB1 ALA 50 HB1 ALA 50 1.598 -7.048 7.514 413 HB2 ALA 50 HB2 ALA 50 2.690 -6.499 6.243 414 HB3 ALA 50 HB3 ALA 50 2.903 -8.098 6.958 415 HA PRO 51 HA PRO 51 -0.919 -11.016 7.596 416 HB2 PRO 51 HB2 PRO 51 -3.292 -10.124 8.493 417 HB3 PRO 51 HB3 PRO 51 -1.793 -9.889 9.397 418 HG2 PRO 51 HG2 PRO 51 -3.252 -7.972 7.622 419 HG3 PRO 51 HG3 PRO 51 -2.534 -7.695 9.222 420 HD2 PRO 51 HD2 PRO 51 -1.293 -6.998 6.917 421 HD3 PRO 51 HD3 PRO 51 -0.417 -7.481 8.377 422 H LEU 52 H LEU 52 -1.930 -9.074 5.007 423 HA LEU 52 HA LEU 52 -4.144 -10.826 4.246 424 HB2 LEU 52 HB2 LEU 52 -2.999 -8.388 2.877 425 HB3 LEU 52 HB3 LEU 52 -4.344 -9.327 2.267 426 HG LEU 52 HG LEU 52 -4.301 -7.654 4.779 427 HD11 LEU 52 HD11 LEU 52 -4.432 -6.381 2.716 428 HD12 LEU 52 HD12 LEU 52 -5.966 -6.323 3.585 429 HD13 LEU 52 HD13 LEU 52 -5.790 -7.369 2.175 430 HD21 LEU 52 HD21 LEU 52 -6.683 -8.191 4.987 431 HD22 LEU 52 HD22 LEU 52 -5.685 -9.637 5.139 432 HD23 LEU 52 HD23 LEU 52 -6.549 -9.318 3.634 433 H THR 53 H THR 53 -4.127 -12.001 2.295 434 HA THR 53 HA THR 53 -1.463 -12.750 1.362 435 HB THR 53 HB THR 53 -2.739 -14.533 0.070 436 HG1 THR 53 HG1 THR 53 -4.883 -14.150 1.838 437 HG21 THR 53 HG21 THR 53 -1.564 -15.010 2.157 438 HG22 THR 53 HG22 THR 53 -3.057 -15.943 2.050 439 HG23 THR 53 HG23 THR 53 -2.982 -14.512 3.080 440 H GLU 54 H GLU 54 -1.620 -13.450 -1.142 441 HA GLU 54 HA GLU 54 -1.878 -11.081 -2.674 442 HB2 GLU 54 HB2 GLU 54 -1.531 -12.623 -4.640 443 HB3 GLU 54 HB3 GLU 54 -0.280 -12.673 -3.409 444 HG2 GLU 54 HG2 GLU 54 -1.264 -14.734 -2.509 445 HG3 GLU 54 HG3 GLU 54 -2.488 -14.692 -3.781 446 H ASN 55 H ASN 55 -4.013 -13.742 -2.008 447 HA ASN 55 HA ASN 55 -5.942 -13.229 -4.037 448 HB2 ASN 55 HB2 ASN 55 -5.665 -15.417 -2.850 449 HB3 ASN 55 HB3 ASN 55 -6.284 -14.666 -1.386 450 HD21 ASN 55 HD21 ASN 55 -7.512 -14.107 -4.654 451 HD22 ASN 55 HD22 ASN 55 -9.069 -14.799 -4.368 452 H GLU 56 H GLU 56 -5.541 -12.244 -0.664 453 HA GLU 56 HA GLU 56 -8.063 -11.030 -0.324 454 HB2 GLU 56 HB2 GLU 56 -5.438 -10.601 1.081 455 HB3 GLU 56 HB3 GLU 56 -6.926 -9.796 1.557 456 HG2 GLU 56 HG2 GLU 56 -6.488 -12.765 1.485 457 HG3 GLU 56 HG3 GLU 56 -6.465 -11.749 2.924 458 H TYR 57 H TYR 57 -4.938 -9.657 -1.338 459 HA TYR 57 HA TYR 57 -6.008 -7.005 -1.550 460 HB2 TYR 57 HB2 TYR 57 -3.606 -7.381 -1.118 461 HB3 TYR 57 HB3 TYR 57 -3.434 -8.101 -2.717 462 HD1 TYR 57 HD1 TYR 57 -4.270 -4.930 -0.959 463 HD2 TYR 57 HD2 TYR 57 -3.071 -6.730 -4.627 464 HE1 TYR 57 HE1 TYR 57 -3.910 -2.704 -1.939 465 HE2 TYR 57 HE2 TYR 57 -2.705 -4.510 -5.607 466 HH TYR 57 HH TYR 57 -3.452 -2.225 -5.290 467 H ALA 58 H ALA 58 -5.814 -9.749 -3.728 468 HA ALA 58 HA ALA 58 -6.276 -8.295 -6.140 469 HB1 ALA 58 HB1 ALA 58 -6.817 -10.440 -7.131 470 HB2 ALA 58 HB2 ALA 58 -6.906 -11.177 -5.531 471 HB3 ALA 58 HB3 ALA 58 -5.365 -10.570 -6.135 472 H GLU 59 H GLU 59 -8.367 -9.606 -3.645 473 HA GLU 59 HA GLU 59 -10.840 -9.136 -4.966 474 HB2 GLU 59 HB2 GLU 59 -10.170 -9.362 -2.028 475 HB3 GLU 59 HB3 GLU 59 -11.805 -9.301 -2.669 476 HG2 GLU 59 HG2 GLU 59 -9.774 -11.424 -3.317 477 HG3 GLU 59 HG3 GLU 59 -11.044 -11.576 -2.106 478 H LEU 60 H LEU 60 -8.609 -7.065 -3.325 479 HA LEU 60 HA LEU 60 -10.583 -4.960 -2.864 480 HB2 LEU 60 HB2 LEU 60 -7.629 -5.045 -2.219 481 HB3 LEU 60 HB3 LEU 60 -8.753 -3.797 -1.721 482 HG LEU 60 HG LEU 60 -8.878 -6.684 -0.825 483 HD11 LEU 60 HD11 LEU 60 -6.907 -5.548 0.053 484 HD12 LEU 60 HD12 LEU 60 -8.092 -5.829 1.327 485 HD13 LEU 60 HD13 LEU 60 -7.915 -4.221 0.627 486 HD21 LEU 60 HD21 LEU 60 -10.489 -5.864 0.814 487 HD22 LEU 60 HD22 LEU 60 -11.061 -5.592 -0.831 488 HD23 LEU 60 HD23 LEU 60 -10.402 -4.251 0.108 489 H ALA 61 H ALA 61 -7.287 -5.014 -4.214 490 HA ALA 61 HA ALA 61 -6.168 -3.666 -5.631 491 HB1 ALA 61 HB1 ALA 61 -8.750 -3.707 -7.196 492 HB2 ALA 61 HB2 ALA 61 -7.499 -4.949 -7.252 493 HB3 ALA 61 HB3 ALA 61 -7.150 -3.319 -7.829 494 H ILE 62 H ILE 62 -7.870 -1.563 -7.288 495 HA ILE 62 HA ILE 62 -7.876 0.456 -5.167 496 HB ILE 62 HB ILE 62 -8.238 0.921 -8.141 497 HG12 ILE 62 HG12 ILE 62 -6.022 0.013 -7.819 498 HG13 ILE 62 HG13 ILE 62 -5.883 1.740 -8.113 499 HG21 ILE 62 HG21 ILE 62 -7.687 3.256 -7.603 500 HG22 ILE 62 HG22 ILE 62 -7.633 2.842 -5.891 501 HG23 ILE 62 HG23 ILE 62 -9.150 2.713 -6.784 502 HD11 ILE 62 HD11 ILE 62 -4.341 1.034 -6.391 503 HD12 ILE 62 HD12 ILE 62 -5.670 0.367 -5.443 504 HD13 ILE 62 HD13 ILE 62 -5.565 2.107 -5.708 505 H PHE 63 H PHE 63 -9.703 0.186 -4.073 506 HA PHE 63 HA PHE 63 -12.225 0.049 -5.578 507 HB2 PHE 63 HB2 PHE 63 -13.171 -1.290 -3.809 508 HB3 PHE 63 HB3 PHE 63 -11.666 -2.021 -4.337 509 HD1 PHE 63 HD2 PHE 63 -9.582 -1.633 -2.873 510 HD2 PHE 63 HD1 PHE 63 -13.551 -0.811 -1.568 511 HE1 PHE 63 HE2 PHE 63 -8.833 -1.704 -0.533 512 HE2 PHE 63 HE1 PHE 63 -12.800 -0.886 0.768 513 HZ PHE 63 HZ PHE 63 -10.442 -1.333 1.289 514 H ALA 64 H ALA 64 -10.408 2.037 -3.628 515 HA ALA 64 HA ALA 64 -12.785 3.379 -2.529 516 HB1 ALA 64 HB1 ALA 64 -10.122 3.080 -1.144 517 HB2 ALA 64 HB2 ALA 64 -11.584 2.165 -0.769 518 HB3 ALA 64 HB3 ALA 64 -11.544 3.909 -0.510 519 H ALA 65 H ALA 65 -9.662 3.749 -4.061 520 HA ALA 65 HA ALA 65 -9.610 6.626 -3.598 521 HB1 ALA 65 HB1 ALA 65 -7.427 6.568 -4.608 522 HB2 ALA 65 HB2 ALA 65 -7.671 4.889 -5.095 523 HB3 ALA 65 HB3 ALA 65 -7.569 5.306 -3.384 524 H ASP 66 H ASP 66 -11.500 5.124 -5.497 525 HA ASP 66 HA ASP 66 -10.863 6.215 -8.086 526 HB2 ASP 66 HB2 ASP 66 -13.426 4.928 -7.130 527 HB3 ASP 66 HB3 ASP 66 -12.922 5.153 -8.797 528 H GLU 67 H GLU 67 -12.676 7.139 -5.292 529 HA GLU 67 HA GLU 67 -14.513 8.880 -6.616 530 HB2 GLU 67 HB2 GLU 67 -15.124 9.593 -4.325 531 HB3 GLU 67 HB3 GLU 67 -15.164 7.851 -4.546 532 HG2 GLU 67 HG2 GLU 67 -13.038 7.632 -3.401 533 HG3 GLU 67 HG3 GLU 67 -12.929 9.385 -3.234 534 H VAL 68 H VAL 68 -11.246 9.283 -5.571 535 HA VAL 68 HA VAL 68 -11.504 12.161 -5.211 536 HB VAL 68 HB VAL 68 -9.093 12.162 -4.693 537 HG11 VAL 68 HG11 VAL 68 -9.240 10.934 -2.589 538 HG12 VAL 68 HG12 VAL 68 -10.681 10.101 -3.177 539 HG13 VAL 68 HG13 VAL 68 -10.715 11.845 -2.914 540 HG21 VAL 68 HG21 VAL 68 -7.898 10.032 -4.404 541 HG22 VAL 68 HG22 VAL 68 -8.345 10.319 -6.086 542 HG23 VAL 68 HG23 VAL 68 -9.271 9.179 -5.112 543 H LEU 69 H LEU 69 -11.328 10.263 -7.848 544 HA LEU 69 HA LEU 69 -9.389 11.786 -9.379 545 HB2 LEU 69 HB2 LEU 69 -11.272 9.602 -10.278 546 HB3 LEU 69 HB3 LEU 69 -9.927 10.249 -11.195 547 HG LEU 69 HG LEU 69 -9.696 8.702 -8.606 548 HD11 LEU 69 HD11 LEU 69 -9.091 7.889 -11.446 549 HD12 LEU 69 HD12 LEU 69 -10.419 7.293 -10.449 550 HD13 LEU 69 HD13 LEU 69 -8.752 6.932 -10.005 551 HD21 LEU 69 HD21 LEU 69 -7.289 8.676 -9.087 552 HD22 LEU 69 HD22 LEU 69 -7.894 10.315 -8.853 553 HD23 LEU 69 HD23 LEU 69 -7.563 9.725 -10.479 554 H GLU 70 H GLU 70 -12.437 12.370 -8.409 555 HA GLU 70 HA GLU 70 -13.499 13.672 -10.746 556 HB2 GLU 70 HB2 GLU 70 -14.892 12.692 -8.897 557 HB3 GLU 70 HB3 GLU 70 -14.303 13.958 -7.836 558 HG2 GLU 70 HG2 GLU 70 -16.489 14.528 -8.592 559 HG3 GLU 70 HG3 GLU 70 -15.329 15.635 -9.325 560 H HIS 71 H HIS 71 -11.236 14.419 -8.294 561 HA HIS 71 HA HIS 71 -11.441 17.290 -8.491 562 HB2 HIS 71 HB2 HIS 71 -9.466 15.443 -7.154 563 HB3 HIS 71 HB3 HIS 71 -9.222 17.182 -7.214 564 HD1 HIS 71 HD1 HIS 71 -10.440 14.722 -5.023 565 HD2 HIS 71 HD2 HIS 71 -11.736 18.518 -6.104 566 HE1 HIS 71 HE1 HIS 71 -11.923 15.489 -3.147 567 HE2 HIS 71 HE2 HIS 71 -12.813 17.724 -3.891 568 H HIS 72 H HIS 72 -9.221 18.449 -8.910 569 HA HIS 72 HA HIS 72 -8.662 18.061 -11.686 570 HB2 HIS 72 HB2 HIS 72 -8.714 20.227 -10.149 571 HB3 HIS 72 HB3 HIS 72 -7.005 19.853 -9.973 572 HD1 HIS 72 HD1 HIS 72 -9.458 20.230 -12.868 573 HD2 HIS 72 HD2 HIS 72 -5.528 21.113 -11.847 574 HE1 HIS 72 HE1 HIS 72 -8.514 21.486 -14.826 575 HE2 HIS 72 HE2 HIS 72 -6.098 21.889 -14.245 576 H HIS 73 H HIS 73 -7.303 16.580 -12.443 577 HA HIS 73 HA HIS 73 -5.097 15.723 -10.703 578 HB2 HIS 73 HB2 HIS 73 -5.407 13.388 -11.538 579 HB3 HIS 73 HB3 HIS 73 -6.748 13.991 -10.582 580 HD1 HIS 73 HD1 HIS 73 -5.961 12.394 -13.771 581 HD2 HIS 73 HD2 HIS 73 -9.105 14.626 -12.225 582 HE1 HIS 73 HE1 HIS 73 -7.908 11.970 -15.297 583 HE2 HIS 73 HE2 HIS 73 -9.833 13.205 -14.252 584 H HIS 74 H HIS 74 -3.263 16.272 -11.481 585 HA HIS 74 HA HIS 74 -2.700 16.026 -14.361 586 HB2 HIS 74 HB2 HIS 74 -1.271 17.520 -12.147 587 HB3 HIS 74 HB3 HIS 74 -0.569 17.285 -13.740 588 HD1 HIS 74 HD1 HIS 74 -2.313 19.711 -11.864 589 HD2 HIS 74 HD2 HIS 74 -2.453 18.435 -15.816 590 HE1 HIS 74 HE1 HIS 74 -3.367 21.592 -13.144 591 HE2 HIS 74 HE2 HIS 74 -3.206 20.897 -15.559 592 H HIS 75 H HIS 75 -0.363 15.310 -14.801 593 HA HIS 75 HA HIS 75 0.488 13.348 -12.795 594 HB2 HIS 75 HB2 HIS 75 1.339 11.849 -14.520 595 HB3 HIS 75 HB3 HIS 75 -0.377 12.133 -14.743 596 HD1 HIS 75 HD1 HIS 75 2.841 12.251 -16.470 597 HD2 HIS 75 HD2 HIS 75 -0.949 13.843 -17.035 598 HE1 HIS 75 HE1 HIS 75 2.766 12.969 -18.875 599 HE2 HIS 75 HE2 HIS 75 0.425 13.860 -19.214 600 H HIS 76 H HIS 76 2.275 13.890 -11.850 601 HA HIS 76 HA HIS 76 4.220 15.558 -13.300 602 HB2 HIS 76 HB2 HIS 76 3.120 16.479 -11.191 603 HB3 HIS 76 HB3 HIS 76 4.002 15.248 -10.300 604 HD1 HIS 76 HD1 HIS 76 6.115 16.085 -9.314 605 HD2 HIS 76 HD2 HIS 76 5.123 18.141 -12.789 606 HE1 HIS 76 HE1 HIS 76 7.880 17.852 -9.589 607 HE2 HIS 76 HE2 HIS 76 7.380 18.916 -11.814 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -9.918 -10.800 5.211 2 H2 MET 1 H2 MET 1 -10.603 -10.368 6.698 3 H3 MET 1 H3 MET 1 -9.068 -9.795 6.278 4 HA MET 1 HA MET 1 -10.030 -8.579 4.419 5 HB2 MET 1 HB2 MET 1 -11.993 -9.873 3.989 6 HB3 MET 1 HB3 MET 1 -12.584 -9.653 5.626 7 HG2 MET 1 HG2 MET 1 -13.852 -8.330 4.032 8 HG3 MET 1 HG3 MET 1 -13.003 -7.302 5.180 9 HE1 MET 1 HE1 MET 1 -14.283 -6.121 2.613 10 HE2 MET 1 HE2 MET 1 -12.997 -5.085 1.996 11 HE3 MET 1 HE3 MET 1 -13.321 -5.151 3.728 12 H ILE 2 H ILE 2 -9.612 -6.583 4.921 13 HA ILE 2 HA ILE 2 -10.556 -5.493 7.481 14 HB ILE 2 HB ILE 2 -8.461 -4.046 7.438 15 HG12 ILE 2 HG12 ILE 2 -7.527 -6.233 5.559 16 HG13 ILE 2 HG13 ILE 2 -7.790 -4.550 5.122 17 HG21 ILE 2 HG21 ILE 2 -7.114 -5.753 8.575 18 HG22 ILE 2 HG22 ILE 2 -8.196 -7.000 7.955 19 HG23 ILE 2 HG23 ILE 2 -8.805 -5.784 9.079 20 HD11 ILE 2 HD11 ILE 2 -5.440 -5.030 5.409 21 HD12 ILE 2 HD12 ILE 2 -5.736 -5.578 7.059 22 HD13 ILE 2 HD13 ILE 2 -5.995 -3.886 6.631 23 H ARG 3 H ARG 3 -10.495 -3.062 7.467 24 HA ARG 3 HA ARG 3 -11.515 -2.151 4.882 25 HB2 ARG 3 HB2 ARG 3 -12.101 -1.255 7.688 26 HB3 ARG 3 HB3 ARG 3 -12.544 -0.287 6.287 27 HG2 ARG 3 HG2 ARG 3 -13.462 -3.109 6.835 28 HG3 ARG 3 HG3 ARG 3 -14.421 -1.641 7.055 29 HD2 ARG 3 HD2 ARG 3 -14.207 -1.148 4.663 30 HD3 ARG 3 HD3 ARG 3 -13.263 -2.618 4.444 31 HE ARG 3 HE ARG 3 -15.447 -3.691 5.394 32 HH11 ARG 3 HH11 ARG 3 -15.260 -0.949 3.210 33 HH12 ARG 3 HH12 ARG 3 -16.713 -1.370 2.357 34 HH21 ARG 3 HH21 ARG 3 -17.362 -4.224 4.282 35 HH22 ARG 3 HH22 ARG 3 -17.906 -3.232 2.964 36 H LEU 4 H LEU 4 -10.211 -1.082 3.729 37 HA LEU 4 HA LEU 4 -7.968 0.370 4.873 38 HB2 LEU 4 HB2 LEU 4 -8.681 -0.131 1.981 39 HB3 LEU 4 HB3 LEU 4 -7.175 0.544 2.569 40 HG LEU 4 HG LEU 4 -8.154 -2.273 3.034 41 HD11 LEU 4 HD11 LEU 4 -7.417 -1.905 0.757 42 HD12 LEU 4 HD12 LEU 4 -6.252 -2.897 1.634 43 HD13 LEU 4 HD13 LEU 4 -5.913 -1.192 1.341 44 HD21 LEU 4 HD21 LEU 4 -5.601 -0.914 3.873 45 HD22 LEU 4 HD22 LEU 4 -5.948 -2.640 4.023 46 HD23 LEU 4 HD23 LEU 4 -6.897 -1.467 4.937 47 H THR 5 H THR 5 -7.576 2.556 4.499 48 HA THR 5 HA THR 5 -9.962 4.139 4.037 49 HB THR 5 HB THR 5 -8.497 6.080 4.617 50 HG1 THR 5 HG1 THR 5 -6.549 4.096 5.258 51 HG21 THR 5 HG21 THR 5 -9.811 4.973 6.343 52 HG22 THR 5 HG22 THR 5 -8.260 5.508 6.992 53 HG23 THR 5 HG23 THR 5 -8.513 3.808 6.600 54 H ILE 6 H ILE 6 -9.672 6.189 2.724 55 HA ILE 6 HA ILE 6 -8.978 5.526 0.037 56 HB ILE 6 HB ILE 6 -9.639 8.261 1.169 57 HG12 ILE 6 HG12 ILE 6 -11.481 6.178 -0.025 58 HG13 ILE 6 HG13 ILE 6 -11.356 6.551 1.689 59 HG21 ILE 6 HG21 ILE 6 -10.396 8.778 -1.119 60 HG22 ILE 6 HG22 ILE 6 -9.845 7.189 -1.649 61 HG23 ILE 6 HG23 ILE 6 -8.677 8.378 -1.074 62 HD11 ILE 6 HD11 ILE 6 -13.312 7.571 0.685 63 HD12 ILE 6 HD12 ILE 6 -12.286 8.438 -0.459 64 HD13 ILE 6 HD13 ILE 6 -12.186 8.798 1.265 65 H GLU 7 H GLU 7 -7.325 6.982 2.708 66 HA GLU 7 HA GLU 7 -5.203 8.309 1.410 67 HB2 GLU 7 HB2 GLU 7 -5.154 6.849 4.057 68 HB3 GLU 7 HB3 GLU 7 -4.006 8.070 3.524 69 HG2 GLU 7 HG2 GLU 7 -5.665 9.764 3.597 70 HG3 GLU 7 HG3 GLU 7 -6.935 8.577 3.887 71 H GLU 8 H GLU 8 -5.387 5.010 2.755 72 HA GLU 8 HA GLU 8 -2.764 4.276 1.933 73 HB2 GLU 8 HB2 GLU 8 -5.078 2.587 2.888 74 HB3 GLU 8 HB3 GLU 8 -3.406 2.043 2.758 75 HG2 GLU 8 HG2 GLU 8 -2.714 3.568 4.456 76 HG3 GLU 8 HG3 GLU 8 -4.299 4.340 4.483 77 H THR 9 H THR 9 -5.989 3.742 0.607 78 HA THR 9 HA THR 9 -5.120 1.887 -1.388 79 HB THR 9 HB THR 9 -7.745 3.396 -1.434 80 HG1 THR 9 HG1 THR 9 -7.633 2.409 0.584 81 HG21 THR 9 HG21 THR 9 -8.537 1.365 -2.550 82 HG22 THR 9 HG22 THR 9 -6.924 0.657 -2.427 83 HG23 THR 9 HG23 THR 9 -7.188 2.081 -3.435 84 H ASN 10 H ASN 10 -5.465 5.397 -1.291 85 HA ASN 10 HA ASN 10 -5.230 5.880 -4.078 86 HB2 ASN 10 HB2 ASN 10 -5.859 7.614 -2.382 87 HB3 ASN 10 HB3 ASN 10 -4.184 7.639 -1.846 88 HD21 ASN 10 HD21 ASN 10 -3.809 9.743 -2.386 89 HD22 ASN 10 HD22 ASN 10 -3.742 10.311 -4.014 90 H LEU 11 H LEU 11 -2.863 5.358 -1.533 91 HA LEU 11 HA LEU 11 -0.560 5.867 -3.127 92 HB2 LEU 11 HB2 LEU 11 -0.703 5.955 -0.621 93 HB3 LEU 11 HB3 LEU 11 -0.747 4.204 -0.618 94 HG LEU 11 HG LEU 11 1.497 4.105 -1.552 95 HD11 LEU 11 HD11 LEU 11 1.409 6.141 -2.925 96 HD12 LEU 11 HD12 LEU 11 2.825 6.120 -1.875 97 HD13 LEU 11 HD13 LEU 11 1.433 7.119 -1.457 98 HD21 LEU 11 HD21 LEU 11 1.304 6.026 0.752 99 HD22 LEU 11 HD22 LEU 11 2.699 5.028 0.337 100 HD23 LEU 11 HD23 LEU 11 1.196 4.269 0.867 101 H LEU 12 H LEU 12 -2.448 2.989 -2.376 102 HA LEU 12 HA LEU 12 -0.906 1.038 -3.684 103 HB2 LEU 12 HB2 LEU 12 -3.906 1.274 -3.392 104 HB3 LEU 12 HB3 LEU 12 -3.081 -0.162 -3.965 105 HG LEU 12 HG LEU 12 -2.657 1.032 -1.227 106 HD11 LEU 12 HD11 LEU 12 -4.412 -1.274 -2.066 107 HD12 LEU 12 HD12 LEU 12 -4.965 0.289 -1.464 108 HD13 LEU 12 HD13 LEU 12 -4.062 -0.793 -0.405 109 HD21 LEU 12 HD21 LEU 12 -1.933 -1.647 -2.398 110 HD22 LEU 12 HD22 LEU 12 -1.655 -1.131 -0.734 111 HD23 LEU 12 HD23 LEU 12 -0.813 -0.328 -2.060 112 H SER 13 H SER 13 -3.338 3.294 -4.903 113 HA SER 13 HA SER 13 -3.415 2.283 -7.561 114 HB2 SER 13 HB2 SER 13 -5.197 3.651 -6.353 115 HB3 SER 13 HB3 SER 13 -4.200 5.064 -6.693 116 HG SER 13 HG SER 13 -4.391 4.555 -8.928 117 H ILE 14 H ILE 14 -1.409 4.664 -5.933 118 HA ILE 14 HA ILE 14 -0.281 5.950 -8.162 119 HB ILE 14 HB ILE 14 0.650 5.529 -5.325 120 HG12 ILE 14 HG12 ILE 14 -0.181 8.034 -6.792 121 HG13 ILE 14 HG13 ILE 14 -1.302 7.009 -5.904 122 HG21 ILE 14 HG21 ILE 14 2.084 7.196 -7.398 123 HG22 ILE 14 HG22 ILE 14 2.702 5.728 -6.638 124 HG23 ILE 14 HG23 ILE 14 2.431 7.177 -5.668 125 HD11 ILE 14 HD11 ILE 14 -0.073 7.454 -3.848 126 HD12 ILE 14 HD12 ILE 14 -0.650 8.941 -4.603 127 HD13 ILE 14 HD13 ILE 14 1.047 8.480 -4.742 128 H TYR 15 H TYR 15 0.596 2.935 -6.503 129 HA TYR 15 HA TYR 15 2.731 2.503 -8.448 130 HB2 TYR 15 HB2 TYR 15 1.965 0.995 -5.949 131 HB3 TYR 15 HB3 TYR 15 3.192 0.426 -7.077 132 HD1 TYR 15 HD2 TYR 15 5.294 1.627 -7.329 133 HD2 TYR 15 HD1 TYR 15 2.384 2.856 -4.482 134 HE1 TYR 15 HE2 TYR 15 6.978 3.025 -6.220 135 HE2 TYR 15 HE1 TYR 15 4.063 4.263 -3.363 136 HH TYR 15 HH TYR 15 6.427 4.512 -3.167 137 H ASN 16 H ASN 16 0.650 0.026 -7.073 138 HA ASN 16 HA ASN 16 -0.356 -1.789 -7.961 139 HB2 ASN 16 HB2 ASN 16 -1.993 0.140 -8.384 140 HB3 ASN 16 HB3 ASN 16 -1.492 0.044 -10.069 141 HD21 ASN 16 HD21 ASN 16 -3.520 -0.571 -10.784 142 HD22 ASN 16 HD22 ASN 16 -4.188 -2.134 -10.464 143 H GLU 17 H GLU 17 1.892 -2.421 -8.604 144 HA GLU 17 HA GLU 17 2.489 -2.311 -11.429 145 HB2 GLU 17 HB2 GLU 17 4.262 -2.040 -9.717 146 HB3 GLU 17 HB3 GLU 17 3.970 -3.684 -9.174 147 HG2 GLU 17 HG2 GLU 17 4.541 -4.404 -11.544 148 HG3 GLU 17 HG3 GLU 17 5.151 -2.766 -11.771 149 H GLY 18 H GLY 18 2.651 -5.120 -9.232 150 HA2 GLY 18 HA2 GLY 18 1.051 -6.642 -11.146 151 HA3 GLY 18 HA3 GLY 18 2.673 -7.210 -10.767 152 H GLY 19 H GLY 19 -0.273 -6.126 -9.129 153 HA2 GLY 19 HA2 GLY 19 -1.543 -7.269 -7.549 154 HA3 GLY 19 HA3 GLY 19 -0.339 -8.555 -7.547 155 H LYS 20 H LYS 20 -0.566 -8.561 -5.235 156 HA LYS 20 HA LYS 20 -0.060 -6.239 -3.689 157 HB2 LYS 20 HB2 LYS 20 -0.230 -7.676 -1.759 158 HB3 LYS 20 HB3 LYS 20 -1.467 -8.111 -2.918 159 HG2 LYS 20 HG2 LYS 20 -0.816 -10.197 -2.381 160 HG3 LYS 20 HG3 LYS 20 0.421 -9.894 -3.602 161 HD2 LYS 20 HD2 LYS 20 1.626 -10.708 -1.780 162 HD3 LYS 20 HD3 LYS 20 1.825 -8.974 -1.666 163 HE2 LYS 20 HE2 LYS 20 -0.064 -8.938 -0.041 164 HE3 LYS 20 HE3 LYS 20 -0.029 -10.705 -0.045 165 HZ1 LYS 20 HZ1 LYS 20 2.290 -10.596 0.686 166 HZ2 LYS 20 HZ2 LYS 20 1.250 -9.845 1.789 167 HZ3 LYS 20 HZ3 LYS 20 2.197 -8.905 0.745 168 H ARG 21 H ARG 21 2.044 -8.780 -4.890 169 HA ARG 21 HA ARG 21 4.282 -8.130 -3.252 170 HB2 ARG 21 HB2 ARG 21 3.993 -9.660 -5.816 171 HB3 ARG 21 HB3 ARG 21 5.575 -9.316 -5.135 172 HG2 ARG 21 HG2 ARG 21 5.314 -10.771 -3.428 173 HG3 ARG 21 HG3 ARG 21 3.574 -10.518 -3.334 174 HD2 ARG 21 HD2 ARG 21 3.317 -11.779 -5.445 175 HD3 ARG 21 HD3 ARG 21 5.052 -12.074 -5.450 176 HE ARG 21 HE ARG 21 4.716 -13.352 -3.373 177 HH11 ARG 21 HH11 ARG 21 1.901 -12.723 -5.374 178 HH12 ARG 21 HH12 ARG 21 1.077 -14.182 -4.898 179 HH21 ARG 21 HH21 ARG 21 3.638 -15.260 -2.748 180 HH22 ARG 21 HH22 ARG 21 2.061 -15.616 -3.390 181 H GLY 22 H GLY 22 3.344 -7.245 -6.564 182 HA2 GLY 22 HA2 GLY 22 5.502 -5.515 -7.108 183 HA3 GLY 22 HA3 GLY 22 3.927 -5.430 -7.859 184 H LEU 23 H LEU 23 2.580 -5.001 -5.263 185 HA LEU 23 HA LEU 23 2.899 -2.185 -4.961 186 HB2 LEU 23 HB2 LEU 23 1.187 -4.298 -3.865 187 HB3 LEU 23 HB3 LEU 23 1.575 -3.043 -2.697 188 HG LEU 23 HG LEU 23 -0.482 -2.432 -3.723 189 HD11 LEU 23 HD11 LEU 23 1.071 -0.596 -3.339 190 HD12 LEU 23 HD12 LEU 23 0.066 -0.285 -4.755 191 HD13 LEU 23 HD13 LEU 23 1.739 -0.810 -4.956 192 HD21 LEU 23 HD21 LEU 23 0.895 -2.752 -6.382 193 HD22 LEU 23 HD22 LEU 23 -0.746 -2.154 -6.132 194 HD23 LEU 23 HD23 LEU 23 -0.340 -3.820 -5.713 195 H MET 24 H MET 24 3.707 -4.926 -2.787 196 HA MET 24 HA MET 24 4.630 -3.169 -0.740 197 HB2 MET 24 HB2 MET 24 4.797 -6.171 -1.020 198 HB3 MET 24 HB3 MET 24 5.328 -5.295 0.413 199 HG2 MET 24 HG2 MET 24 3.093 -4.428 0.747 200 HG3 MET 24 HG3 MET 24 2.543 -5.216 -0.726 201 HE1 MET 24 HE1 MET 24 4.698 -6.490 2.467 202 HE2 MET 24 HE2 MET 24 3.366 -7.278 3.325 203 HE3 MET 24 HE3 MET 24 3.330 -5.535 3.035 204 H GLU 25 H GLU 25 6.281 -5.115 -3.176 205 HA GLU 25 HA GLU 25 8.923 -4.775 -2.264 206 HB2 GLU 25 HB2 GLU 25 7.827 -5.247 -5.036 207 HB3 GLU 25 HB3 GLU 25 9.537 -5.260 -4.669 208 HG2 GLU 25 HG2 GLU 25 9.097 -7.099 -3.038 209 HG3 GLU 25 HG3 GLU 25 7.436 -7.114 -3.600 210 H ASN 26 H ASN 26 7.001 -2.834 -4.547 211 HA ASN 26 HA ASN 26 9.184 -1.044 -5.091 212 HB2 ASN 26 HB2 ASN 26 6.322 -1.142 -5.955 213 HB3 ASN 26 HB3 ASN 26 7.282 0.309 -6.231 214 HD21 ASN 26 HD21 ASN 26 6.812 -3.015 -7.058 215 HD22 ASN 26 HD22 ASN 26 7.844 -3.027 -8.447 216 H ILE 27 H ILE 27 6.518 -1.096 -2.852 217 HA ILE 27 HA ILE 27 6.662 1.619 -2.070 218 HB ILE 27 HB ILE 27 5.539 -0.861 -0.825 219 HG12 ILE 27 HG12 ILE 27 4.313 1.818 -1.513 220 HG13 ILE 27 HG13 ILE 27 4.308 0.410 -2.566 221 HG21 ILE 27 HG21 ILE 27 4.751 0.388 1.120 222 HG22 ILE 27 HG22 ILE 27 5.711 1.777 0.611 223 HG23 ILE 27 HG23 ILE 27 6.510 0.276 1.082 224 HD11 ILE 27 HD11 ILE 27 2.937 -0.800 -0.953 225 HD12 ILE 27 HD12 ILE 27 2.166 0.707 -1.443 226 HD13 ILE 27 HD13 ILE 27 2.964 0.595 0.126 227 H ASN 28 H ASN 28 8.292 -1.307 -0.814 228 HA ASN 28 HA ASN 28 9.737 -0.003 1.243 229 HB2 ASN 28 HB2 ASN 28 9.994 -2.641 -0.125 230 HB3 ASN 28 HB3 ASN 28 11.318 -2.084 0.887 231 HD21 ASN 28 HD21 ASN 28 8.126 -3.343 0.800 232 HD22 ASN 28 HD22 ASN 28 7.924 -3.526 2.511 233 H ALA 29 H ALA 29 10.441 -0.543 -2.145 234 HA ALA 29 HA ALA 29 13.204 0.199 -1.987 235 HB1 ALA 29 HB1 ALA 29 11.385 0.000 -4.389 236 HB2 ALA 29 HB2 ALA 29 12.373 -1.304 -3.724 237 HB3 ALA 29 HB3 ALA 29 13.143 0.119 -4.426 238 H ALA 30 H ALA 30 10.208 1.913 -2.655 239 HA ALA 30 HA ALA 30 11.738 4.291 -3.434 240 HB1 ALA 30 HB1 ALA 30 10.225 3.421 -5.136 241 HB2 ALA 30 HB2 ALA 30 9.762 5.041 -4.620 242 HB3 ALA 30 HB3 ALA 30 8.861 3.642 -4.039 243 H LEU 31 H LEU 31 10.873 3.333 -0.611 244 HA LEU 31 HA LEU 31 9.132 5.128 0.559 245 HB2 LEU 31 HB2 LEU 31 11.652 3.906 1.659 246 HB3 LEU 31 HB3 LEU 31 10.621 4.934 2.628 247 HG LEU 31 HG LEU 31 9.702 2.359 1.336 248 HD11 LEU 31 HD11 LEU 31 9.860 1.397 3.575 249 HD12 LEU 31 HD12 LEU 31 10.547 2.903 4.185 250 HD13 LEU 31 HD13 LEU 31 11.439 1.938 3.008 251 HD21 LEU 31 HD21 LEU 31 7.909 3.950 1.776 252 HD22 LEU 31 HD22 LEU 31 8.457 4.126 3.443 253 HD23 LEU 31 HD23 LEU 31 7.815 2.581 2.886 254 HA PRO 32 HA PRO 32 12.454 8.578 1.099 255 HB2 PRO 32 HB2 PRO 32 14.776 7.965 -0.540 256 HB3 PRO 32 HB3 PRO 32 14.695 8.337 1.183 257 HG2 PRO 32 HG2 PRO 32 15.331 5.884 0.267 258 HG3 PRO 32 HG3 PRO 32 14.446 6.135 1.783 259 HD2 PRO 32 HD2 PRO 32 13.391 5.390 -0.923 260 HD3 PRO 32 HD3 PRO 32 12.993 4.703 0.669 261 H PHE 33 H PHE 33 11.871 7.058 -1.930 262 HA PHE 33 HA PHE 33 12.359 9.400 -3.545 263 HB2 PHE 33 HB2 PHE 33 11.052 6.749 -4.190 264 HB3 PHE 33 HB3 PHE 33 11.318 8.027 -5.370 265 HD1 PHE 33 HD2 PHE 33 13.664 8.694 -5.943 266 HD2 PHE 33 HD1 PHE 33 12.788 5.262 -3.584 267 HE1 PHE 33 HE2 PHE 33 15.916 7.810 -6.393 268 HE2 PHE 33 HE1 PHE 33 15.037 4.377 -4.030 269 HZ PHE 33 HZ PHE 33 16.603 5.651 -5.437 270 H MET 34 H MET 34 9.726 8.014 -1.783 271 HA MET 34 HA MET 34 7.731 9.809 -2.868 272 HB2 MET 34 HB2 MET 34 7.753 7.833 -0.596 273 HB3 MET 34 HB3 MET 34 6.411 8.943 -0.835 274 HG2 MET 34 HG2 MET 34 6.039 8.009 -3.064 275 HG3 MET 34 HG3 MET 34 7.380 6.893 -2.817 276 HE1 MET 34 HE1 MET 34 7.309 4.784 -1.342 277 HE2 MET 34 HE2 MET 34 6.062 4.452 -0.137 278 HE3 MET 34 HE3 MET 34 7.145 5.830 0.069 279 H ASP 35 H ASP 35 6.534 11.260 -1.380 280 HA ASP 35 HA ASP 35 8.431 12.967 -0.010 281 HB2 ASP 35 HB2 ASP 35 6.541 13.664 -1.668 282 HB3 ASP 35 HB3 ASP 35 5.487 13.535 -0.266 283 H GLU 36 H GLU 36 7.330 14.140 2.015 284 HA GLU 36 HA GLU 36 7.708 12.709 4.260 285 HB2 GLU 36 HB2 GLU 36 7.489 15.143 4.088 286 HB3 GLU 36 HB3 GLU 36 5.770 14.987 3.796 287 HG2 GLU 36 HG2 GLU 36 6.020 15.692 6.020 288 HG3 GLU 36 HG3 GLU 36 5.576 13.986 6.089 289 H ASP 37 H ASP 37 4.481 13.296 2.847 290 HA ASP 37 HA ASP 37 3.009 11.921 4.858 291 HB2 ASP 37 HB2 ASP 37 2.186 12.553 2.014 292 HB3 ASP 37 HB3 ASP 37 1.109 12.152 3.345 293 H MET 38 H MET 38 3.976 11.061 1.568 294 HA MET 38 HA MET 38 2.535 8.610 1.493 295 HB2 MET 38 HB2 MET 38 4.652 9.783 -0.298 296 HB3 MET 38 HB3 MET 38 3.856 8.252 -0.630 297 HG2 MET 38 HG2 MET 38 1.728 9.332 -0.800 298 HG3 MET 38 HG3 MET 38 2.426 10.870 -0.296 299 HE1 MET 38 HE1 MET 38 1.222 11.935 -2.433 300 HE2 MET 38 HE2 MET 38 0.646 10.345 -2.939 301 HE3 MET 38 HE3 MET 38 1.495 11.379 -4.086 302 H ARG 39 H ARG 39 5.769 9.446 2.425 303 HA ARG 39 HA ARG 39 6.983 6.900 2.282 304 HB2 ARG 39 HB2 ARG 39 8.158 9.074 2.470 305 HB3 ARG 39 HB3 ARG 39 7.568 9.236 4.115 306 HG2 ARG 39 HG2 ARG 39 8.825 7.198 4.719 307 HG3 ARG 39 HG3 ARG 39 9.482 7.159 3.082 308 HD2 ARG 39 HD2 ARG 39 11.035 8.211 4.650 309 HD3 ARG 39 HD3 ARG 39 10.489 9.348 3.419 310 HE ARG 39 HE ARG 39 8.931 9.419 5.842 311 HH11 ARG 39 HH11 ARG 39 11.825 10.688 4.307 312 HH12 ARG 39 HH12 ARG 39 11.821 12.145 5.244 313 HH21 ARG 39 HH21 ARG 39 8.939 11.308 7.047 314 HH22 ARG 39 HH22 ARG 39 10.190 12.493 6.808 315 H GLU 40 H GLU 40 5.515 8.639 5.047 316 HA GLU 40 HA GLU 40 5.711 6.411 6.821 317 HB2 GLU 40 HB2 GLU 40 4.618 9.154 6.946 318 HB3 GLU 40 HB3 GLU 40 3.904 7.988 8.049 319 HG2 GLU 40 HG2 GLU 40 5.736 9.229 9.072 320 HG3 GLU 40 HG3 GLU 40 6.067 7.500 9.002 321 H LEU 41 H LEU 41 3.201 7.608 4.709 322 HA LEU 41 HA LEU 41 1.053 6.042 5.718 323 HB2 LEU 41 HB2 LEU 41 0.764 8.061 4.347 324 HB3 LEU 41 HB3 LEU 41 1.499 7.251 2.985 325 HG LEU 41 HG LEU 41 -0.416 5.682 2.914 326 HD11 LEU 41 HD11 LEU 41 -1.105 5.800 5.256 327 HD12 LEU 41 HD12 LEU 41 -2.444 6.202 4.179 328 HD13 LEU 41 HD13 LEU 41 -1.585 7.484 5.034 329 HD21 LEU 41 HD21 LEU 41 -0.372 7.658 1.503 330 HD22 LEU 41 HD22 LEU 41 -1.115 8.613 2.787 331 HD23 LEU 41 HD23 LEU 41 -2.019 7.305 2.024 332 H ALA 42 H ALA 42 3.645 5.437 3.467 333 HA ALA 42 HA ALA 42 2.656 3.130 2.211 334 HB1 ALA 42 HB1 ALA 42 5.507 3.919 2.750 335 HB2 ALA 42 HB2 ALA 42 4.526 4.463 1.387 336 HB3 ALA 42 HB3 ALA 42 4.950 2.757 1.549 337 H LYS 43 H LYS 43 4.480 3.567 5.209 338 HA LYS 43 HA LYS 43 4.932 0.814 5.747 339 HB2 LYS 43 HB2 LYS 43 4.894 3.272 7.474 340 HB3 LYS 43 HB3 LYS 43 5.125 1.674 8.167 341 HG2 LYS 43 HG2 LYS 43 7.097 1.373 6.702 342 HG3 LYS 43 HG3 LYS 43 6.880 3.036 6.139 343 HD2 LYS 43 HD2 LYS 43 7.250 3.911 8.318 344 HD3 LYS 43 HD3 LYS 43 7.182 2.302 9.040 345 HE2 LYS 43 HE2 LYS 43 9.238 1.679 7.897 346 HE3 LYS 43 HE3 LYS 43 9.292 3.256 7.107 347 HZ1 LYS 43 HZ1 LYS 43 10.753 3.204 9.011 348 HZ2 LYS 43 HZ2 LYS 43 9.471 2.766 10.030 349 HZ3 LYS 43 HZ3 LYS 43 9.483 4.291 9.290 350 H ARG 44 H ARG 44 2.293 3.004 6.418 351 HA ARG 44 HA ARG 44 0.802 1.340 8.172 352 HB2 ARG 44 HB2 ARG 44 -0.206 3.480 6.289 353 HB3 ARG 44 HB3 ARG 44 -1.075 2.819 7.666 354 HG2 ARG 44 HG2 ARG 44 0.542 3.783 9.184 355 HG3 ARG 44 HG3 ARG 44 1.487 4.385 7.818 356 HD2 ARG 44 HD2 ARG 44 0.115 6.160 8.740 357 HD3 ARG 44 HD3 ARG 44 -0.416 5.751 7.110 358 HE ARG 44 HE ARG 44 -1.909 4.271 8.992 359 HH11 ARG 44 HH11 ARG 44 -1.587 7.549 7.783 360 HH12 ARG 44 HH12 ARG 44 -3.220 7.982 8.178 361 HH21 ARG 44 HH21 ARG 44 -4.043 4.845 9.494 362 HH22 ARG 44 HH22 ARG 44 -4.619 6.444 9.127 363 H THR 45 H THR 45 0.874 1.775 4.675 364 HA THR 45 HA THR 45 -1.342 0.068 4.129 365 HB THR 45 HB THR 45 0.824 0.823 2.160 366 HG1 THR 45 HG1 THR 45 -0.938 2.425 3.509 367 HG21 THR 45 HG21 THR 45 -0.832 -0.805 1.406 368 HG22 THR 45 HG22 THR 45 -1.040 0.734 0.573 369 HG23 THR 45 HG23 THR 45 -2.131 0.289 1.886 370 H LEU 46 H LEU 46 2.197 -0.395 4.219 371 HA LEU 46 HA LEU 46 2.297 -3.063 3.310 372 HB2 LEU 46 HB2 LEU 46 4.039 -1.649 5.332 373 HB3 LEU 46 HB3 LEU 46 4.382 -3.241 4.692 374 HG LEU 46 HG LEU 46 4.296 -0.677 3.111 375 HD11 LEU 46 HD11 LEU 46 6.562 -2.474 3.946 376 HD12 LEU 46 HD12 LEU 46 6.229 -0.854 4.564 377 HD13 LEU 46 HD13 LEU 46 6.699 -1.078 2.877 378 HD21 LEU 46 HD21 LEU 46 4.973 -3.486 2.255 379 HD22 LEU 46 HD22 LEU 46 5.143 -2.036 1.264 380 HD23 LEU 46 HD23 LEU 46 3.542 -2.574 1.779 381 H ALA 47 H ALA 47 1.699 -1.709 6.483 382 HA ALA 47 HA ALA 47 1.603 -4.158 7.914 383 HB1 ALA 47 HB1 ALA 47 2.050 -1.998 8.974 384 HB2 ALA 47 HB2 ALA 47 0.697 -2.840 9.728 385 HB3 ALA 47 HB3 ALA 47 0.394 -1.496 8.627 386 H LYS 48 H LYS 48 -0.650 -2.626 5.820 387 HA LYS 48 HA LYS 48 -2.913 -4.108 6.846 388 HB2 LYS 48 HB2 LYS 48 -2.633 -2.379 4.395 389 HB3 LYS 48 HB3 LYS 48 -4.128 -3.125 4.926 390 HG2 LYS 48 HG2 LYS 48 -2.545 -1.061 6.437 391 HG3 LYS 48 HG3 LYS 48 -4.046 -0.787 5.553 392 HD2 LYS 48 HD2 LYS 48 -5.132 -2.463 7.075 393 HD3 LYS 48 HD3 LYS 48 -3.645 -2.466 8.025 394 HE2 LYS 48 HE2 LYS 48 -5.451 -0.112 7.505 395 HE3 LYS 48 HE3 LYS 48 -5.269 -0.982 9.026 396 HZ1 LYS 48 HZ1 LYS 48 -3.232 0.688 7.656 397 HZ2 LYS 48 HZ2 LYS 48 -2.903 -0.277 9.011 398 HZ3 LYS 48 HZ3 LYS 48 -3.995 1.009 9.135 399 H ILE 49 H ILE 49 -0.721 -4.313 4.024 400 HA ILE 49 HA ILE 49 -2.341 -6.401 2.822 401 HB ILE 49 HB ILE 49 0.406 -5.669 1.821 402 HG12 ILE 49 HG12 ILE 49 -2.109 -4.221 0.985 403 HG13 ILE 49 HG13 ILE 49 -1.020 -3.581 2.210 404 HG21 ILE 49 HG21 ILE 49 -0.710 -7.573 0.793 405 HG22 ILE 49 HG22 ILE 49 -0.577 -6.235 -0.351 406 HG23 ILE 49 HG23 ILE 49 -2.119 -6.572 0.438 407 HD11 ILE 49 HD11 ILE 49 0.791 -3.532 0.586 408 HD12 ILE 49 HD12 ILE 49 -0.595 -2.595 0.026 409 HD13 ILE 49 HD13 ILE 49 -0.284 -4.197 -0.644 410 H ALA 50 H ALA 50 0.509 -6.249 4.839 411 HA ALA 50 HA ALA 50 1.569 -8.800 4.276 412 HB1 ALA 50 HB1 ALA 50 1.819 -7.269 6.850 413 HB2 ALA 50 HB2 ALA 50 2.830 -7.047 5.423 414 HB3 ALA 50 HB3 ALA 50 2.859 -8.579 6.297 415 HA PRO 51 HA PRO 51 -1.053 -10.732 7.757 416 HB2 PRO 51 HB2 PRO 51 -3.230 -9.478 8.771 417 HB3 PRO 51 HB3 PRO 51 -1.613 -9.316 9.467 418 HG2 PRO 51 HG2 PRO 51 -3.082 -7.464 7.640 419 HG3 PRO 51 HG3 PRO 51 -2.106 -7.095 9.074 420 HD2 PRO 51 HD2 PRO 51 -1.173 -6.843 6.538 421 HD3 PRO 51 HD3 PRO 51 -0.137 -7.222 7.925 422 H LEU 52 H LEU 52 -2.322 -9.038 5.075 423 HA LEU 52 HA LEU 52 -4.570 -10.863 4.714 424 HB2 LEU 52 HB2 LEU 52 -3.460 -8.721 2.892 425 HB3 LEU 52 HB3 LEU 52 -4.869 -9.696 2.544 426 HG LEU 52 HG LEU 52 -4.622 -7.676 4.775 427 HD11 LEU 52 HD11 LEU 52 -6.243 -6.404 3.461 428 HD12 LEU 52 HD12 LEU 52 -6.195 -7.637 2.201 429 HD13 LEU 52 HD13 LEU 52 -4.758 -6.679 2.549 430 HD21 LEU 52 HD21 LEU 52 -7.010 -8.057 5.123 431 HD22 LEU 52 HD22 LEU 52 -6.083 -9.531 5.409 432 HD23 LEU 52 HD23 LEU 52 -6.989 -9.336 3.908 433 H THR 53 H THR 53 -4.718 -12.202 2.796 434 HA THR 53 HA THR 53 -2.126 -13.155 1.849 435 HB THR 53 HB THR 53 -3.861 -14.815 2.539 436 HG1 THR 53 HG1 THR 53 -2.579 -15.878 1.218 437 HG21 THR 53 HG21 THR 53 -5.324 -13.893 0.068 438 HG22 THR 53 HG22 THR 53 -5.866 -13.698 1.737 439 HG23 THR 53 HG23 THR 53 -5.732 -15.312 1.037 440 H GLU 54 H GLU 54 -2.193 -13.753 -0.635 441 HA GLU 54 HA GLU 54 -2.230 -11.311 -2.058 442 HB2 GLU 54 HB2 GLU 54 -1.587 -12.710 -4.004 443 HB3 GLU 54 HB3 GLU 54 -0.588 -12.981 -2.586 444 HG2 GLU 54 HG2 GLU 54 -1.952 -15.002 -2.091 445 HG3 GLU 54 HG3 GLU 54 -2.784 -14.760 -3.627 446 H ASN 55 H ASN 55 -4.567 -13.882 -1.728 447 HA ASN 55 HA ASN 55 -6.147 -13.178 -3.996 448 HB2 ASN 55 HB2 ASN 55 -6.172 -15.435 -2.867 449 HB3 ASN 55 HB3 ASN 55 -7.050 -14.689 -1.538 450 HD21 ASN 55 HD21 ASN 55 -8.899 -15.879 -1.798 451 HD22 ASN 55 HD22 ASN 55 -9.951 -15.716 -3.160 452 H GLU 56 H GLU 56 -6.214 -12.349 -0.545 453 HA GLU 56 HA GLU 56 -8.732 -11.052 -0.539 454 HB2 GLU 56 HB2 GLU 56 -6.384 -10.863 1.328 455 HB3 GLU 56 HB3 GLU 56 -7.895 -10.004 1.596 456 HG2 GLU 56 HG2 GLU 56 -9.091 -12.108 1.689 457 HG3 GLU 56 HG3 GLU 56 -7.592 -12.985 1.367 458 H TYR 57 H TYR 57 -5.440 -9.838 -1.029 459 HA TYR 57 HA TYR 57 -6.223 -7.116 -1.208 460 HB2 TYR 57 HB2 TYR 57 -3.877 -7.656 -0.749 461 HB3 TYR 57 HB3 TYR 57 -3.730 -8.446 -2.321 462 HD1 TYR 57 HD1 TYR 57 -4.423 -5.154 -0.727 463 HD2 TYR 57 HD2 TYR 57 -3.159 -7.199 -4.237 464 HE1 TYR 57 HE1 TYR 57 -3.941 -3.005 -1.808 465 HE2 TYR 57 HE2 TYR 57 -2.658 -5.055 -5.318 466 HH TYR 57 HH TYR 57 -3.452 -2.691 -5.111 467 H ALA 58 H ALA 58 -5.999 -9.737 -3.570 468 HA ALA 58 HA ALA 58 -6.289 -8.054 -5.862 469 HB1 ALA 58 HB1 ALA 58 -6.537 -10.109 -7.113 470 HB2 ALA 58 HB2 ALA 58 -6.759 -11.014 -5.614 471 HB3 ALA 58 HB3 ALA 58 -5.210 -10.248 -5.959 472 H GLU 59 H GLU 59 -8.543 -9.586 -3.685 473 HA GLU 59 HA GLU 59 -10.857 -9.310 -5.323 474 HB2 GLU 59 HB2 GLU 59 -10.542 -9.616 -2.334 475 HB3 GLU 59 HB3 GLU 59 -12.100 -9.587 -3.146 476 HG2 GLU 59 HG2 GLU 59 -9.965 -11.568 -3.862 477 HG3 GLU 59 HG3 GLU 59 -11.109 -11.855 -2.555 478 H LEU 60 H LEU 60 -9.153 -7.199 -3.134 479 HA LEU 60 HA LEU 60 -11.212 -5.156 -3.162 480 HB2 LEU 60 HB2 LEU 60 -8.360 -5.010 -2.163 481 HB3 LEU 60 HB3 LEU 60 -9.623 -3.836 -1.856 482 HG LEU 60 HG LEU 60 -9.623 -6.686 -0.843 483 HD11 LEU 60 HD11 LEU 60 -9.072 -4.088 0.590 484 HD12 LEU 60 HD12 LEU 60 -7.893 -5.348 0.230 485 HD13 LEU 60 HD13 LEU 60 -9.214 -5.673 1.352 486 HD21 LEU 60 HD21 LEU 60 -11.463 -4.375 -0.245 487 HD22 LEU 60 HD22 LEU 60 -11.507 -5.962 0.526 488 HD23 LEU 60 HD23 LEU 60 -11.868 -5.805 -1.194 489 H ALA 61 H ALA 61 -8.066 -5.779 -4.526 490 HA ALA 61 HA ALA 61 -6.697 -4.821 -5.993 491 HB1 ALA 61 HB1 ALA 61 -9.238 -3.993 -7.388 492 HB2 ALA 61 HB2 ALA 61 -8.440 -5.559 -7.544 493 HB3 ALA 61 HB3 ALA 61 -7.633 -4.096 -8.112 494 H ILE 62 H ILE 62 -8.467 -2.193 -7.182 495 HA ILE 62 HA ILE 62 -7.387 -0.411 -5.105 496 HB ILE 62 HB ILE 62 -8.195 0.338 -7.931 497 HG12 ILE 62 HG12 ILE 62 -6.168 -1.000 -8.025 498 HG13 ILE 62 HG13 ILE 62 -5.779 0.680 -8.364 499 HG21 ILE 62 HG21 ILE 62 -7.122 2.487 -7.459 500 HG22 ILE 62 HG22 ILE 62 -6.841 1.972 -5.796 501 HG23 ILE 62 HG23 ILE 62 -8.490 2.178 -6.391 502 HD11 ILE 62 HD11 ILE 62 -4.082 -0.356 -6.981 503 HD12 ILE 62 HD12 ILE 62 -5.292 -0.766 -5.766 504 HD13 ILE 62 HD13 ILE 62 -4.905 0.924 -6.089 505 H PHE 63 H PHE 63 -8.948 -0.411 -3.669 506 HA PHE 63 HA PHE 63 -11.700 -0.780 -4.386 507 HB2 PHE 63 HB2 PHE 63 -10.349 -1.756 -2.386 508 HB3 PHE 63 HB3 PHE 63 -10.697 -0.217 -1.611 509 HD1 PHE 63 HD1 PHE 63 -12.293 -3.137 -3.217 510 HD2 PHE 63 HD2 PHE 63 -12.729 0.116 -0.512 511 HE1 PHE 63 HE1 PHE 63 -14.458 -4.038 -2.496 512 HE2 PHE 63 HE2 PHE 63 -14.903 -0.775 0.215 513 HZ PHE 63 HZ PHE 63 -15.769 -2.856 -0.777 514 H ALA 64 H ALA 64 -10.070 1.671 -2.343 515 HA ALA 64 HA ALA 64 -12.068 3.623 -3.255 516 HB1 ALA 64 HB1 ALA 64 -11.007 3.366 -0.443 517 HB2 ALA 64 HB2 ALA 64 -12.609 2.871 -0.988 518 HB3 ALA 64 HB3 ALA 64 -12.156 4.575 -1.015 519 H ALA 65 H ALA 65 -10.571 4.382 -4.790 520 HA ALA 65 HA ALA 65 -8.737 6.360 -3.663 521 HB1 ALA 65 HB1 ALA 65 -7.330 4.414 -4.125 522 HB2 ALA 65 HB2 ALA 65 -6.931 5.772 -5.177 523 HB3 ALA 65 HB3 ALA 65 -7.880 4.424 -5.803 524 H ASP 66 H ASP 66 -11.151 5.546 -5.757 525 HA ASP 66 HA ASP 66 -10.499 7.449 -7.867 526 HB2 ASP 66 HB2 ASP 66 -12.805 5.533 -7.465 527 HB3 ASP 66 HB3 ASP 66 -12.712 6.659 -8.813 528 H GLU 67 H GLU 67 -11.075 8.218 -5.069 529 HA GLU 67 HA GLU 67 -13.456 9.899 -5.426 530 HB2 GLU 67 HB2 GLU 67 -11.928 9.340 -2.878 531 HB3 GLU 67 HB3 GLU 67 -13.500 10.109 -3.021 532 HG2 GLU 67 HG2 GLU 67 -12.864 7.230 -3.633 533 HG3 GLU 67 HG3 GLU 67 -13.692 7.830 -2.199 534 H VAL 68 H VAL 68 -10.023 9.861 -4.976 535 HA VAL 68 HA VAL 68 -9.933 12.739 -4.385 536 HB VAL 68 HB VAL 68 -7.570 12.240 -3.628 537 HG11 VAL 68 HG11 VAL 68 -9.838 10.853 -2.202 538 HG12 VAL 68 HG12 VAL 68 -9.421 12.562 -2.080 539 HG13 VAL 68 HG13 VAL 68 -8.306 11.339 -1.472 540 HG21 VAL 68 HG21 VAL 68 -8.538 9.380 -3.788 541 HG22 VAL 68 HG22 VAL 68 -7.006 9.924 -3.096 542 HG23 VAL 68 HG23 VAL 68 -7.311 10.104 -4.825 543 H LEU 69 H LEU 69 -10.268 11.688 -7.064 544 HA LEU 69 HA LEU 69 -7.786 12.016 -8.481 545 HB2 LEU 69 HB2 LEU 69 -9.104 11.747 -10.472 546 HB3 LEU 69 HB3 LEU 69 -9.656 10.586 -9.280 547 HG LEU 69 HG LEU 69 -11.124 13.129 -9.296 548 HD11 LEU 69 HD11 LEU 69 -10.713 12.815 -11.702 549 HD12 LEU 69 HD12 LEU 69 -12.412 12.556 -11.304 550 HD13 LEU 69 HD13 LEU 69 -11.352 11.175 -11.592 551 HD21 LEU 69 HD21 LEU 69 -11.811 11.258 -7.910 552 HD22 LEU 69 HD22 LEU 69 -11.983 10.243 -9.343 553 HD23 LEU 69 HD23 LEU 69 -13.044 11.632 -9.115 554 H GLU 70 H GLU 70 -9.800 14.171 -6.976 555 HA GLU 70 HA GLU 70 -9.639 16.363 -8.866 556 HB2 GLU 70 HB2 GLU 70 -11.588 15.838 -7.280 557 HB3 GLU 70 HB3 GLU 70 -10.570 16.465 -5.996 558 HG2 GLU 70 HG2 GLU 70 -10.446 18.616 -7.215 559 HG3 GLU 70 HG3 GLU 70 -11.591 17.969 -8.391 560 H HIS 71 H HIS 71 -7.495 14.969 -6.775 561 HA HIS 71 HA HIS 71 -6.243 17.199 -5.551 562 HB2 HIS 71 HB2 HIS 71 -5.969 14.778 -4.855 563 HB3 HIS 71 HB3 HIS 71 -4.962 14.554 -6.278 564 HD1 HIS 71 HD1 HIS 71 -2.563 15.458 -6.204 565 HD2 HIS 71 HD2 HIS 71 -4.763 16.216 -2.757 566 HE1 HIS 71 HE1 HIS 71 -0.904 16.290 -4.512 567 HE2 HIS 71 HE2 HIS 71 -2.236 16.616 -2.393 568 H HIS 72 H HIS 72 -5.572 18.822 -6.730 569 HA HIS 72 HA HIS 72 -3.814 18.387 -9.022 570 HB2 HIS 72 HB2 HIS 72 -6.183 18.562 -9.840 571 HB3 HIS 72 HB3 HIS 72 -6.288 20.146 -9.093 572 HD1 HIS 72 HD1 HIS 72 -4.536 18.349 -11.915 573 HD2 HIS 72 HD2 HIS 72 -5.354 22.216 -10.626 574 HE1 HIS 72 HE1 HIS 72 -3.839 19.852 -13.801 575 HE2 HIS 72 HE2 HIS 72 -4.382 22.189 -13.021 576 H HIS 73 H HIS 73 -2.053 19.546 -8.561 577 HA HIS 73 HA HIS 73 -2.206 21.561 -6.534 578 HB2 HIS 73 HB2 HIS 73 0.206 21.641 -6.533 579 HB3 HIS 73 HB3 HIS 73 -0.301 19.969 -6.590 580 HD1 HIS 73 HD1 HIS 73 0.104 18.701 -8.929 581 HD2 HIS 73 HD2 HIS 73 1.898 22.433 -8.526 582 HE1 HIS 73 HE1 HIS 73 1.815 18.840 -10.756 583 HE2 HIS 73 HE2 HIS 73 2.906 21.098 -10.492 584 H HIS 74 H HIS 74 -2.974 23.403 -6.939 585 HA HIS 74 HA HIS 74 -1.513 25.148 -8.717 586 HB2 HIS 74 HB2 HIS 74 -3.475 24.392 -10.094 587 HB3 HIS 74 HB3 HIS 74 -4.549 25.019 -8.853 588 HD1 HIS 74 HD1 HIS 74 -5.415 27.277 -9.319 589 HD2 HIS 74 HD2 HIS 74 -1.756 26.629 -11.194 590 HE1 HIS 74 HE1 HIS 74 -4.948 29.362 -10.639 591 HE2 HIS 74 HE2 HIS 74 -2.691 28.994 -11.685 592 H HIS 75 H HIS 75 -0.680 26.070 -6.957 593 HA HIS 75 HA HIS 75 -2.371 26.848 -4.721 594 HB2 HIS 75 HB2 HIS 75 -0.022 25.729 -4.601 595 HB3 HIS 75 HB3 HIS 75 0.597 27.334 -4.948 596 HD1 HIS 75 HD1 HIS 75 -1.157 25.363 -2.273 597 HD2 HIS 75 HD2 HIS 75 0.571 29.110 -2.798 598 HE1 HIS 75 HE1 HIS 75 -0.975 26.353 0.026 599 HE2 HIS 75 HE2 HIS 75 0.179 28.569 -0.301 600 H HIS 76 H HIS 76 -3.475 28.290 -6.287 601 HA HIS 76 HA HIS 76 -4.068 30.286 -7.147 602 HB2 HIS 76 HB2 HIS 76 -2.170 31.281 -5.027 603 HB3 HIS 76 HB3 HIS 76 -3.150 32.354 -6.021 604 HD1 HIS 76 HD1 HIS 76 -3.269 30.278 -2.993 605 HD2 HIS 76 HD2 HIS 76 -6.007 32.016 -5.594 606 HE1 HIS 76 HE1 HIS 76 -5.482 30.186 -1.811 607 HE2 HIS 76 HE2 HIS 76 -7.144 31.103 -3.463 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -10.517 -9.053 4.935 2 H2 MET 1 H2 MET 1 -11.856 -9.258 3.919 3 H3 MET 1 H3 MET 1 -12.090 -8.950 5.569 4 HA MET 1 HA MET 1 -10.913 -7.102 3.575 5 HB2 MET 1 HB2 MET 1 -13.390 -7.418 3.456 6 HB3 MET 1 HB3 MET 1 -13.508 -6.914 5.134 7 HG2 MET 1 HG2 MET 1 -14.103 -5.101 3.639 8 HG3 MET 1 HG3 MET 1 -12.634 -4.710 4.536 9 HE1 MET 1 HE1 MET 1 -11.982 -2.951 1.096 10 HE2 MET 1 HE2 MET 1 -12.033 -2.744 2.848 11 HE3 MET 1 HE3 MET 1 -13.518 -3.074 1.954 12 H ILE 2 H ILE 2 -9.950 -5.292 4.350 13 HA ILE 2 HA ILE 2 -10.119 -4.782 7.233 14 HB ILE 2 HB ILE 2 -7.880 -5.540 6.911 15 HG12 ILE 2 HG12 ILE 2 -7.747 -2.515 6.939 16 HG13 ILE 2 HG13 ILE 2 -8.198 -3.497 8.323 17 HG21 ILE 2 HG21 ILE 2 -7.699 -5.371 4.505 18 HG22 ILE 2 HG22 ILE 2 -6.317 -4.585 5.268 19 HG23 ILE 2 HG23 ILE 2 -7.629 -3.611 4.607 20 HD11 ILE 2 HD11 ILE 2 -5.535 -3.494 6.931 21 HD12 ILE 2 HD12 ILE 2 -5.974 -4.512 8.302 22 HD13 ILE 2 HD13 ILE 2 -5.911 -2.759 8.490 23 H ARG 3 H ARG 3 -10.473 -2.668 7.857 24 HA ARG 3 HA ARG 3 -11.599 -0.982 5.761 25 HB2 ARG 3 HB2 ARG 3 -11.780 -0.939 8.762 26 HB3 ARG 3 HB3 ARG 3 -12.454 0.328 7.749 27 HG2 ARG 3 HG2 ARG 3 -13.922 -1.286 6.677 28 HG3 ARG 3 HG3 ARG 3 -13.217 -2.580 7.649 29 HD2 ARG 3 HD2 ARG 3 -15.354 -1.801 8.565 30 HD3 ARG 3 HD3 ARG 3 -14.013 -1.536 9.678 31 HE ARG 3 HE ARG 3 -14.048 0.829 8.898 32 HH11 ARG 3 HH11 ARG 3 -16.928 -1.144 8.598 33 HH12 ARG 3 HH12 ARG 3 -18.015 0.207 8.660 34 HH21 ARG 3 HH21 ARG 3 -15.475 2.602 9.007 35 HH22 ARG 3 HH22 ARG 3 -17.189 2.335 8.900 36 H LEU 4 H LEU 4 -10.501 0.626 4.925 37 HA LEU 4 HA LEU 4 -8.716 2.193 6.651 38 HB2 LEU 4 HB2 LEU 4 -8.031 1.304 3.845 39 HB3 LEU 4 HB3 LEU 4 -7.109 2.457 4.788 40 HG LEU 4 HG LEU 4 -7.178 0.292 6.459 41 HD11 LEU 4 HD11 LEU 4 -6.935 -0.718 3.640 42 HD12 LEU 4 HD12 LEU 4 -8.229 -1.095 4.779 43 HD13 LEU 4 HD13 LEU 4 -6.583 -1.642 5.100 44 HD21 LEU 4 HD21 LEU 4 -5.250 1.696 5.922 45 HD22 LEU 4 HD22 LEU 4 -5.121 0.903 4.351 46 HD23 LEU 4 HD23 LEU 4 -4.859 -0.022 5.831 47 H THR 5 H THR 5 -7.926 4.176 5.099 48 HA THR 5 HA THR 5 -10.437 5.519 4.425 49 HB THR 5 HB THR 5 -7.802 6.953 4.452 50 HG1 THR 5 HG1 THR 5 -7.635 5.769 6.348 51 HG21 THR 5 HG21 THR 5 -9.145 8.725 5.471 52 HG22 THR 5 HG22 THR 5 -10.542 7.651 5.527 53 HG23 THR 5 HG23 THR 5 -9.892 8.176 3.974 54 H ILE 6 H ILE 6 -10.237 7.165 2.557 55 HA ILE 6 HA ILE 6 -9.919 5.882 0.111 56 HB ILE 6 HB ILE 6 -9.694 8.870 0.452 57 HG12 ILE 6 HG12 ILE 6 -11.648 8.069 1.763 58 HG13 ILE 6 HG13 ILE 6 -12.120 9.061 0.392 59 HG21 ILE 6 HG21 ILE 6 -10.818 8.936 -1.735 60 HG22 ILE 6 HG22 ILE 6 -10.773 7.173 -1.792 61 HG23 ILE 6 HG23 ILE 6 -9.269 8.095 -1.788 62 HD11 ILE 6 HD11 ILE 6 -12.251 6.059 0.517 63 HD12 ILE 6 HD12 ILE 6 -12.759 7.067 -0.839 64 HD13 ILE 6 HD13 ILE 6 -13.610 7.167 0.704 65 H GLU 7 H GLU 7 -7.731 8.172 1.721 66 HA GLU 7 HA GLU 7 -5.816 8.425 -0.290 67 HB2 GLU 7 HB2 GLU 7 -5.481 8.654 2.701 68 HB3 GLU 7 HB3 GLU 7 -4.273 9.154 1.532 69 HG2 GLU 7 HG2 GLU 7 -5.267 11.149 2.002 70 HG3 GLU 7 HG3 GLU 7 -6.208 10.641 0.602 71 H GLU 8 H GLU 8 -6.137 5.981 2.205 72 HA GLU 8 HA GLU 8 -3.493 4.906 1.942 73 HB2 GLU 8 HB2 GLU 8 -5.935 3.662 3.214 74 HB3 GLU 8 HB3 GLU 8 -4.263 3.190 3.479 75 HG2 GLU 8 HG2 GLU 8 -3.827 5.416 4.448 76 HG3 GLU 8 HG3 GLU 8 -5.535 5.799 4.260 77 H THR 9 H THR 9 -6.699 3.981 0.774 78 HA THR 9 HA THR 9 -5.771 1.605 -0.540 79 HB THR 9 HB THR 9 -8.409 2.949 -1.100 80 HG1 THR 9 HG1 THR 9 -8.566 2.837 1.068 81 HG21 THR 9 HG21 THR 9 -9.177 0.627 -1.308 82 HG22 THR 9 HG22 THR 9 -7.550 0.051 -0.930 83 HG23 THR 9 HG23 THR 9 -7.846 0.955 -2.416 84 H ASN 10 H ASN 10 -6.268 4.945 -1.479 85 HA ASN 10 HA ASN 10 -5.894 4.604 -4.277 86 HB2 ASN 10 HB2 ASN 10 -6.943 6.603 -3.260 87 HB3 ASN 10 HB3 ASN 10 -5.387 7.057 -2.575 88 HD21 ASN 10 HD21 ASN 10 -3.871 8.031 -3.871 89 HD22 ASN 10 HD22 ASN 10 -4.198 8.535 -5.490 90 H LEU 11 H LEU 11 -3.696 4.864 -1.591 91 HA LEU 11 HA LEU 11 -1.306 5.313 -3.031 92 HB2 LEU 11 HB2 LEU 11 -1.476 5.605 -0.611 93 HB3 LEU 11 HB3 LEU 11 -1.738 3.882 -0.413 94 HG LEU 11 HG LEU 11 0.539 3.491 -1.361 95 HD11 LEU 11 HD11 LEU 11 0.811 6.475 -1.047 96 HD12 LEU 11 HD12 LEU 11 0.821 5.589 -2.572 97 HD13 LEU 11 HD13 LEU 11 2.119 5.348 -1.402 98 HD21 LEU 11 HD21 LEU 11 1.696 4.125 0.673 99 HD22 LEU 11 HD22 LEU 11 0.100 3.453 1.017 100 HD23 LEU 11 HD23 LEU 11 0.363 5.195 1.101 101 H LEU 12 H LEU 12 -3.171 2.416 -2.352 102 HA LEU 12 HA LEU 12 -1.379 0.440 -3.230 103 HB2 LEU 12 HB2 LEU 12 -4.376 0.475 -3.588 104 HB3 LEU 12 HB3 LEU 12 -3.348 -0.934 -3.691 105 HG LEU 12 HG LEU 12 -3.871 0.679 -1.191 106 HD11 LEU 12 HD11 LEU 12 -5.116 -1.303 -0.481 107 HD12 LEU 12 HD12 LEU 12 -4.815 -2.054 -2.049 108 HD13 LEU 12 HD13 LEU 12 -5.807 -0.600 -1.944 109 HD21 LEU 12 HD21 LEU 12 -2.708 -1.136 -0.038 110 HD22 LEU 12 HD22 LEU 12 -1.643 -0.317 -1.182 111 HD23 LEU 12 HD23 LEU 12 -2.336 -1.886 -1.591 112 H SER 13 H SER 13 -3.421 2.673 -5.006 113 HA SER 13 HA SER 13 -3.308 1.422 -7.549 114 HB2 SER 13 HB2 SER 13 -3.659 4.384 -7.132 115 HB3 SER 13 HB3 SER 13 -4.377 3.354 -8.371 116 HG SER 13 HG SER 13 -5.462 4.073 -6.121 117 H ILE 14 H ILE 14 -1.069 3.462 -5.827 118 HA ILE 14 HA ILE 14 0.229 4.674 -8.047 119 HB ILE 14 HB ILE 14 1.387 4.235 -5.285 120 HG12 ILE 14 HG12 ILE 14 -0.849 5.330 -5.161 121 HG13 ILE 14 HG13 ILE 14 0.457 6.367 -4.605 122 HG21 ILE 14 HG21 ILE 14 3.015 4.986 -6.945 123 HG22 ILE 14 HG22 ILE 14 2.708 6.239 -5.743 124 HG23 ILE 14 HG23 ILE 14 1.981 6.359 -7.349 125 HD11 ILE 14 HD11 ILE 14 -1.162 7.605 -5.919 126 HD12 ILE 14 HD12 ILE 14 -0.898 6.519 -7.286 127 HD13 ILE 14 HD13 ILE 14 0.409 7.560 -6.723 128 H TYR 15 H TYR 15 0.932 1.762 -6.096 129 HA TYR 15 HA TYR 15 3.149 1.179 -7.950 130 HB2 TYR 15 HB2 TYR 15 3.011 0.715 -4.967 131 HB3 TYR 15 HB3 TYR 15 4.251 0.003 -5.998 132 HD1 TYR 15 HD2 TYR 15 5.704 1.602 -7.363 133 HD2 TYR 15 HD1 TYR 15 3.286 2.873 -4.104 134 HE1 TYR 15 HE2 TYR 15 7.037 3.660 -7.185 135 HE2 TYR 15 HE1 TYR 15 4.597 4.945 -3.934 136 HH TYR 15 HH TYR 15 6.726 5.955 -6.355 137 H ASN 16 H ASN 16 0.227 0.221 -7.783 138 HA ASN 16 HA ASN 16 0.294 -2.559 -7.191 139 HB2 ASN 16 HB2 ASN 16 -1.774 -1.021 -7.440 140 HB3 ASN 16 HB3 ASN 16 -1.603 -1.294 -9.166 141 HD21 ASN 16 HD21 ASN 16 -3.796 -1.990 -7.435 142 HD22 ASN 16 HD22 ASN 16 -3.997 -3.701 -7.550 143 H GLU 17 H GLU 17 1.645 -3.840 -8.173 144 HA GLU 17 HA GLU 17 1.606 -4.062 -11.077 145 HB2 GLU 17 HB2 GLU 17 3.537 -2.556 -10.234 146 HB3 GLU 17 HB3 GLU 17 4.213 -4.025 -9.549 147 HG2 GLU 17 HG2 GLU 17 4.119 -4.999 -11.867 148 HG3 GLU 17 HG3 GLU 17 3.746 -3.370 -12.433 149 H GLY 18 H GLY 18 0.664 -6.087 -11.016 150 HA2 GLY 18 HA2 GLY 18 0.553 -8.365 -10.705 151 HA3 GLY 18 HA3 GLY 18 2.177 -8.305 -10.031 152 H GLY 19 H GLY 19 -0.733 -6.620 -8.961 153 HA2 GLY 19 HA2 GLY 19 -2.047 -6.880 -7.091 154 HA3 GLY 19 HA3 GLY 19 -1.194 -8.377 -6.739 155 H LYS 20 H LYS 20 -0.646 -8.156 -4.680 156 HA LYS 20 HA LYS 20 0.491 -5.621 -3.753 157 HB2 LYS 20 HB2 LYS 20 0.065 -6.351 -1.508 158 HB3 LYS 20 HB3 LYS 20 -1.368 -6.620 -2.479 159 HG2 LYS 20 HG2 LYS 20 -1.436 -8.654 -1.616 160 HG3 LYS 20 HG3 LYS 20 -0.031 -9.032 -2.616 161 HD2 LYS 20 HD2 LYS 20 1.431 -8.266 -0.767 162 HD3 LYS 20 HD3 LYS 20 -0.005 -8.016 0.226 163 HE2 LYS 20 HE2 LYS 20 1.075 -10.147 0.715 164 HE3 LYS 20 HE3 LYS 20 -0.548 -10.374 0.072 165 HZ1 LYS 20 HZ1 LYS 20 0.886 -11.929 -0.983 166 HZ2 LYS 20 HZ2 LYS 20 2.033 -10.741 -1.351 167 HZ3 LYS 20 HZ3 LYS 20 0.536 -10.743 -2.145 168 H ARG 21 H ARG 21 1.497 -8.589 -4.855 169 HA ARG 21 HA ARG 21 3.856 -9.060 -3.411 170 HB2 ARG 21 HB2 ARG 21 2.733 -10.573 -5.080 171 HB3 ARG 21 HB3 ARG 21 3.383 -9.551 -6.348 172 HG2 ARG 21 HG2 ARG 21 5.666 -10.086 -5.526 173 HG3 ARG 21 HG3 ARG 21 4.933 -11.236 -4.400 174 HD2 ARG 21 HD2 ARG 21 3.874 -12.371 -6.334 175 HD3 ARG 21 HD3 ARG 21 4.748 -11.279 -7.411 176 HE ARG 21 HE ARG 21 5.933 -13.366 -5.709 177 HH11 ARG 21 HH11 ARG 21 6.236 -11.049 -8.337 178 HH12 ARG 21 HH12 ARG 21 7.739 -11.698 -8.910 179 HH21 ARG 21 HH21 ARG 21 7.903 -14.232 -6.476 180 HH22 ARG 21 HH22 ARG 21 8.695 -13.508 -7.845 181 H GLY 22 H GLY 22 3.517 -7.540 -6.613 182 HA2 GLY 22 HA2 GLY 22 6.085 -6.314 -6.586 183 HA3 GLY 22 HA3 GLY 22 4.777 -5.964 -7.706 184 H LEU 23 H LEU 23 2.929 -5.282 -5.520 185 HA LEU 23 HA LEU 23 3.337 -2.532 -5.231 186 HB2 LEU 23 HB2 LEU 23 1.175 -3.570 -5.078 187 HB3 LEU 23 HB3 LEU 23 1.669 -4.509 -3.692 188 HG LEU 23 HG LEU 23 1.763 -2.399 -2.370 189 HD11 LEU 23 HD11 LEU 23 2.067 -0.811 -4.217 190 HD12 LEU 23 HD12 LEU 23 0.653 -0.420 -3.237 191 HD13 LEU 23 HD13 LEU 23 0.451 -1.206 -4.804 192 HD21 LEU 23 HD21 LEU 23 -0.635 -2.227 -2.164 193 HD22 LEU 23 HD22 LEU 23 -0.122 -3.906 -2.334 194 HD23 LEU 23 HD23 LEU 23 -0.833 -3.053 -3.708 195 H MET 24 H MET 24 3.998 -5.193 -2.927 196 HA MET 24 HA MET 24 5.013 -3.601 -0.830 197 HB2 MET 24 HB2 MET 24 5.372 -6.481 -1.562 198 HB3 MET 24 HB3 MET 24 6.313 -5.775 -0.259 199 HG2 MET 24 HG2 MET 24 4.206 -5.114 0.837 200 HG3 MET 24 HG3 MET 24 3.326 -5.963 -0.434 201 HE1 MET 24 HE1 MET 24 2.965 -8.255 2.732 202 HE2 MET 24 HE2 MET 24 2.100 -7.373 1.473 203 HE3 MET 24 HE3 MET 24 3.034 -6.492 2.681 204 H GLU 25 H GLU 25 6.667 -5.255 -3.492 205 HA GLU 25 HA GLU 25 9.296 -4.714 -2.647 206 HB2 GLU 25 HB2 GLU 25 8.339 -5.190 -5.474 207 HB3 GLU 25 HB3 GLU 25 9.988 -5.356 -4.900 208 HG2 GLU 25 HG2 GLU 25 7.633 -7.059 -4.117 209 HG3 GLU 25 HG3 GLU 25 8.958 -7.523 -5.177 210 H ASN 26 H ASN 26 7.129 -2.976 -4.829 211 HA ASN 26 HA ASN 26 9.038 -1.008 -5.598 212 HB2 ASN 26 HB2 ASN 26 6.112 -1.363 -5.984 213 HB3 ASN 26 HB3 ASN 26 6.784 0.246 -6.213 214 HD21 ASN 26 HD21 ASN 26 6.432 -2.898 -7.522 215 HD22 ASN 26 HD22 ASN 26 7.274 -2.601 -9.006 216 H ILE 27 H ILE 27 6.545 -1.098 -3.058 217 HA ILE 27 HA ILE 27 6.836 1.655 -2.387 218 HB ILE 27 HB ILE 27 5.556 -0.626 -0.878 219 HG12 ILE 27 HG12 ILE 27 4.435 1.846 -2.225 220 HG13 ILE 27 HG13 ILE 27 4.378 0.211 -2.869 221 HG21 ILE 27 HG21 ILE 27 4.678 1.012 0.719 222 HG22 ILE 27 HG22 ILE 27 5.667 2.267 -0.026 223 HG23 ILE 27 HG23 ILE 27 6.437 0.908 0.795 224 HD11 ILE 27 HD11 ILE 27 2.236 0.860 -1.939 225 HD12 ILE 27 HD12 ILE 27 2.988 1.185 -0.377 226 HD13 ILE 27 HD13 ILE 27 2.936 -0.462 -1.006 227 H ASN 28 H ASN 28 8.277 -1.318 -1.000 228 HA ASN 28 HA ASN 28 9.633 0.005 1.113 229 HB2 ASN 28 HB2 ASN 28 9.984 -2.676 -0.167 230 HB3 ASN 28 HB3 ASN 28 11.190 -2.088 0.971 231 HD21 ASN 28 HD21 ASN 28 8.071 -3.421 0.569 232 HD22 ASN 28 HD22 ASN 28 7.652 -3.530 2.249 233 H ALA 29 H ALA 29 10.578 -0.704 -2.202 234 HA ALA 29 HA ALA 29 13.277 0.180 -1.932 235 HB1 ALA 29 HB1 ALA 29 13.327 0.135 -4.373 236 HB2 ALA 29 HB2 ALA 29 11.575 -0.068 -4.408 237 HB3 ALA 29 HB3 ALA 29 12.593 -1.330 -3.718 238 H ALA 30 H ALA 30 10.241 1.785 -2.587 239 HA ALA 30 HA ALA 30 11.618 4.276 -3.260 240 HB1 ALA 30 HB1 ALA 30 9.460 5.081 -4.026 241 HB2 ALA 30 HB2 ALA 30 8.689 3.601 -3.451 242 HB3 ALA 30 HB3 ALA 30 9.852 3.533 -4.776 243 H LEU 31 H LEU 31 11.049 2.959 -0.439 244 HA LEU 31 HA LEU 31 9.605 4.963 0.941 245 HB2 LEU 31 HB2 LEU 31 11.539 2.888 1.909 246 HB3 LEU 31 HB3 LEU 31 10.872 4.089 2.995 247 HG LEU 31 HG LEU 31 9.290 2.035 1.436 248 HD11 LEU 31 HD11 LEU 31 8.816 1.082 3.634 249 HD12 LEU 31 HD12 LEU 31 9.866 2.285 4.385 250 HD13 LEU 31 HD13 LEU 31 10.547 1.079 3.292 251 HD21 LEU 31 HD21 LEU 31 7.360 2.835 2.720 252 HD22 LEU 31 HD22 LEU 31 8.028 4.111 1.702 253 HD23 LEU 31 HD23 LEU 31 8.360 4.102 3.434 254 HA PRO 32 HA PRO 32 13.749 7.325 1.592 255 HB2 PRO 32 HB2 PRO 32 15.823 6.783 -0.064 256 HB3 PRO 32 HB3 PRO 32 15.640 6.051 1.532 257 HG2 PRO 32 HG2 PRO 32 14.970 4.923 -1.155 258 HG3 PRO 32 HG3 PRO 32 15.776 4.143 0.220 259 HD2 PRO 32 HD2 PRO 32 13.163 3.758 -0.336 260 HD3 PRO 32 HD3 PRO 32 13.803 3.739 1.316 261 H PHE 33 H PHE 33 11.815 6.772 -0.906 262 HA PHE 33 HA PHE 33 12.639 9.179 -2.377 263 HB2 PHE 33 HB2 PHE 33 11.284 6.693 -3.502 264 HB3 PHE 33 HB3 PHE 33 11.600 8.170 -4.407 265 HD1 PHE 33 HD2 PHE 33 14.096 8.928 -4.514 266 HD2 PHE 33 HD1 PHE 33 12.830 4.983 -3.543 267 HE1 PHE 33 HE2 PHE 33 16.315 8.066 -5.130 268 HE2 PHE 33 HE1 PHE 33 15.047 4.119 -4.151 269 HZ PHE 33 HZ PHE 33 16.791 5.658 -4.947 270 H MET 34 H MET 34 10.212 9.142 -3.940 271 HA MET 34 HA MET 34 8.068 9.795 -4.033 272 HB2 MET 34 HB2 MET 34 7.785 8.607 -1.264 273 HB3 MET 34 HB3 MET 34 6.456 9.196 -2.241 274 HG2 MET 34 HG2 MET 34 7.023 7.485 -3.940 275 HG3 MET 34 HG3 MET 34 8.237 6.854 -2.828 276 HE1 MET 34 HE1 MET 34 5.993 5.657 0.180 277 HE2 MET 34 HE2 MET 34 6.786 7.220 -0.011 278 HE3 MET 34 HE3 MET 34 7.636 5.741 -0.456 279 H ASP 35 H ASP 35 8.098 10.245 -0.581 280 HA ASP 35 HA ASP 35 8.285 13.039 -0.396 281 HB2 ASP 35 HB2 ASP 35 6.285 13.087 -1.798 282 HB3 ASP 35 HB3 ASP 35 5.516 11.855 -0.814 283 H GLU 36 H GLU 36 7.977 13.607 1.867 284 HA GLU 36 HA GLU 36 8.396 11.432 3.628 285 HB2 GLU 36 HB2 GLU 36 9.436 13.608 3.973 286 HB3 GLU 36 HB3 GLU 36 7.859 14.349 4.203 287 HG2 GLU 36 HG2 GLU 36 7.548 13.286 6.270 288 HG3 GLU 36 HG3 GLU 36 8.882 12.168 5.993 289 H ASP 37 H ASP 37 5.577 13.457 2.962 290 HA ASP 37 HA ASP 37 3.946 12.525 5.101 291 HB2 ASP 37 HB2 ASP 37 3.487 14.627 3.942 292 HB3 ASP 37 HB3 ASP 37 3.205 13.756 2.437 293 H MET 38 H MET 38 4.225 11.644 1.701 294 HA MET 38 HA MET 38 2.246 9.602 1.808 295 HB2 MET 38 HB2 MET 38 3.144 10.967 -0.236 296 HB3 MET 38 HB3 MET 38 4.322 9.662 -0.344 297 HG2 MET 38 HG2 MET 38 2.647 8.043 -0.700 298 HG3 MET 38 HG3 MET 38 1.365 9.149 -0.217 299 HE1 MET 38 HE1 MET 38 3.640 9.302 -4.235 300 HE2 MET 38 HE2 MET 38 3.815 8.021 -3.032 301 HE3 MET 38 HE3 MET 38 4.436 9.641 -2.695 302 H ARG 39 H ARG 39 5.667 9.623 2.467 303 HA ARG 39 HA ARG 39 6.104 6.814 2.407 304 HB2 ARG 39 HB2 ARG 39 7.967 8.364 2.365 305 HB3 ARG 39 HB3 ARG 39 7.522 8.996 3.943 306 HG2 ARG 39 HG2 ARG 39 8.033 6.831 4.951 307 HG3 ARG 39 HG3 ARG 39 8.470 6.196 3.366 308 HD2 ARG 39 HD2 ARG 39 10.454 6.801 4.586 309 HD3 ARG 39 HD3 ARG 39 10.249 7.861 3.198 310 HE ARG 39 HE ARG 39 9.524 8.689 5.932 311 HH11 ARG 39 HH11 ARG 39 11.001 9.348 2.818 312 HH12 ARG 39 HH12 ARG 39 11.690 10.863 3.322 313 HH21 ARG 39 HH21 ARG 39 10.438 10.670 6.590 314 HH22 ARG 39 HH22 ARG 39 11.372 11.606 5.465 315 H GLU 40 H GLU 40 5.133 9.041 5.020 316 HA GLU 40 HA GLU 40 4.933 7.170 7.101 317 HB2 GLU 40 HB2 GLU 40 3.322 9.671 6.563 318 HB3 GLU 40 HB3 GLU 40 3.251 8.768 8.066 319 HG2 GLU 40 HG2 GLU 40 5.721 10.064 6.947 320 HG3 GLU 40 HG3 GLU 40 4.678 10.762 8.185 321 H LEU 41 H LEU 41 2.691 8.048 4.559 322 HA LEU 41 HA LEU 41 0.502 6.442 5.413 323 HB2 LEU 41 HB2 LEU 41 0.426 8.409 3.842 324 HB3 LEU 41 HB3 LEU 41 1.184 7.401 2.627 325 HG LEU 41 HG LEU 41 -0.798 5.878 2.768 326 HD11 LEU 41 HD11 LEU 41 -1.578 6.502 4.988 327 HD12 LEU 41 HD12 LEU 41 -2.840 6.747 3.780 328 HD13 LEU 41 HD13 LEU 41 -1.944 8.129 4.412 329 HD21 LEU 41 HD21 LEU 41 -0.560 7.527 0.983 330 HD22 LEU 41 HD22 LEU 41 -1.333 8.746 1.998 331 HD23 LEU 41 HD23 LEU 41 -2.249 7.341 1.453 332 H ALA 42 H ALA 42 3.238 5.914 3.226 333 HA ALA 42 HA ALA 42 2.410 3.453 2.143 334 HB1 ALA 42 HB1 ALA 42 5.209 4.506 2.462 335 HB2 ALA 42 HB2 ALA 42 4.116 4.901 1.137 336 HB3 ALA 42 HB3 ALA 42 4.685 3.244 1.349 337 H LYS 43 H LYS 43 4.171 4.277 5.003 338 HA LYS 43 HA LYS 43 5.147 1.748 5.727 339 HB2 LYS 43 HB2 LYS 43 6.047 3.781 6.610 340 HB3 LYS 43 HB3 LYS 43 4.492 4.260 7.259 341 HG2 LYS 43 HG2 LYS 43 4.626 2.601 8.973 342 HG3 LYS 43 HG3 LYS 43 6.073 1.896 8.248 343 HD2 LYS 43 HD2 LYS 43 6.558 3.353 10.203 344 HD3 LYS 43 HD3 LYS 43 7.346 3.882 8.718 345 HE2 LYS 43 HE2 LYS 43 5.656 5.597 8.401 346 HE3 LYS 43 HE3 LYS 43 4.781 5.032 9.824 347 HZ1 LYS 43 HZ1 LYS 43 6.546 5.726 11.223 348 HZ2 LYS 43 HZ2 LYS 43 6.199 7.026 10.190 349 HZ3 LYS 43 HZ3 LYS 43 7.562 6.058 9.911 350 H ARG 44 H ARG 44 2.117 3.425 6.634 351 HA ARG 44 HA ARG 44 1.221 1.196 8.234 352 HB2 ARG 44 HB2 ARG 44 -0.904 2.508 8.454 353 HB3 ARG 44 HB3 ARG 44 0.542 3.330 9.010 354 HG2 ARG 44 HG2 ARG 44 0.592 4.599 6.897 355 HG3 ARG 44 HG3 ARG 44 -0.922 3.819 6.427 356 HD2 ARG 44 HD2 ARG 44 -0.588 5.400 8.964 357 HD3 ARG 44 HD3 ARG 44 -1.138 6.112 7.448 358 HE ARG 44 HE ARG 44 -2.911 4.208 7.644 359 HH11 ARG 44 HH11 ARG 44 -1.671 6.167 10.296 360 HH12 ARG 44 HH12 ARG 44 -3.154 6.085 11.193 361 HH21 ARG 44 HH21 ARG 44 -4.825 4.113 8.816 362 HH22 ARG 44 HH22 ARG 44 -4.951 4.914 10.351 363 H THR 45 H THR 45 0.898 2.083 4.922 364 HA THR 45 HA THR 45 -1.428 0.430 4.479 365 HB THR 45 HB THR 45 0.323 1.885 2.473 366 HG1 THR 45 HG1 THR 45 -0.700 3.398 3.739 367 HG21 THR 45 HG21 THR 45 -1.561 1.669 0.950 368 HG22 THR 45 HG22 THR 45 -2.469 0.772 2.170 369 HG23 THR 45 HG23 THR 45 -1.011 0.071 1.457 370 H LEU 46 H LEU 46 2.079 0.131 4.115 371 HA LEU 46 HA LEU 46 2.101 -2.437 2.930 372 HB2 LEU 46 HB2 LEU 46 4.008 -1.016 4.750 373 HB3 LEU 46 HB3 LEU 46 4.286 -2.678 4.277 374 HG LEU 46 HG LEU 46 4.115 -0.317 2.409 375 HD11 LEU 46 HD11 LEU 46 6.116 -0.332 3.775 376 HD12 LEU 46 HD12 LEU 46 6.506 -0.764 2.108 377 HD13 LEU 46 HD13 LEU 46 6.412 -2.017 3.347 378 HD21 LEU 46 HD21 LEU 46 4.842 -1.891 0.689 379 HD22 LEU 46 HD22 LEU 46 3.288 -2.382 1.367 380 HD23 LEU 46 HD23 LEU 46 4.766 -3.214 1.851 381 H ALA 47 H ALA 47 1.618 -1.361 6.219 382 HA ALA 47 HA ALA 47 1.965 -3.911 7.438 383 HB1 ALA 47 HB1 ALA 47 0.620 -1.441 8.511 384 HB2 ALA 47 HB2 ALA 47 2.335 -1.831 8.650 385 HB3 ALA 47 HB3 ALA 47 1.131 -2.841 9.454 386 H LYS 48 H LYS 48 -0.700 -2.394 5.826 387 HA LYS 48 HA LYS 48 -2.617 -4.154 7.082 388 HB2 LYS 48 HB2 LYS 48 -4.334 -3.005 5.899 389 HB3 LYS 48 HB3 LYS 48 -3.235 -1.814 6.558 390 HG2 LYS 48 HG2 LYS 48 -3.474 -0.885 4.537 391 HG3 LYS 48 HG3 LYS 48 -2.230 -2.046 4.072 392 HD2 LYS 48 HD2 LYS 48 -3.922 -3.587 3.278 393 HD3 LYS 48 HD3 LYS 48 -5.206 -2.513 3.837 394 HE2 LYS 48 HE2 LYS 48 -3.160 -1.828 1.732 395 HE3 LYS 48 HE3 LYS 48 -4.801 -2.376 1.404 396 HZ1 LYS 48 HZ1 LYS 48 -4.573 0.041 1.262 397 HZ2 LYS 48 HZ2 LYS 48 -4.100 0.103 2.885 398 HZ3 LYS 48 HZ3 LYS 48 -5.660 -0.410 2.479 399 H ILE 49 H ILE 49 -0.689 -4.119 4.157 400 HA ILE 49 HA ILE 49 -2.289 -6.280 3.030 401 HB ILE 49 HB ILE 49 -0.587 -6.257 1.150 402 HG12 ILE 49 HG12 ILE 49 0.169 -3.593 2.371 403 HG13 ILE 49 HG13 ILE 49 1.186 -5.029 2.389 404 HG21 ILE 49 HG21 ILE 49 -2.788 -5.348 0.874 405 HG22 ILE 49 HG22 ILE 49 -1.616 -4.301 0.075 406 HG23 ILE 49 HG23 ILE 49 -2.296 -3.832 1.633 407 HD11 ILE 49 HD11 ILE 49 1.842 -3.424 0.660 408 HD12 ILE 49 HD12 ILE 49 0.252 -3.598 -0.089 409 HD13 ILE 49 HD13 ILE 49 1.351 -4.974 -0.021 410 H ALA 50 H ALA 50 0.516 -5.914 4.968 411 HA ALA 50 HA ALA 50 1.960 -8.182 4.397 412 HB1 ALA 50 HB1 ALA 50 1.534 -7.061 7.153 413 HB2 ALA 50 HB2 ALA 50 2.648 -6.405 5.953 414 HB3 ALA 50 HB3 ALA 50 2.897 -8.029 6.601 415 HA PRO 51 HA PRO 51 -0.703 -11.100 7.027 416 HB2 PRO 51 HB2 PRO 51 -3.087 -10.411 8.051 417 HB3 PRO 51 HB3 PRO 51 -1.567 -10.101 8.897 418 HG2 PRO 51 HG2 PRO 51 -3.290 -8.231 7.347 419 HG3 PRO 51 HG3 PRO 51 -2.393 -7.957 8.849 420 HD2 PRO 51 HD2 PRO 51 -1.546 -7.172 6.342 421 HD3 PRO 51 HD3 PRO 51 -0.491 -7.406 7.745 422 H LEU 52 H LEU 52 -1.811 -9.226 4.474 423 HA LEU 52 HA LEU 52 -4.069 -10.928 3.777 424 HB2 LEU 52 HB2 LEU 52 -2.760 -8.784 2.094 425 HB3 LEU 52 HB3 LEU 52 -4.298 -9.554 1.789 426 HG LEU 52 HG LEU 52 -3.675 -7.628 4.029 427 HD11 LEU 52 HD11 LEU 52 -5.385 -7.361 1.560 428 HD12 LEU 52 HD12 LEU 52 -3.823 -6.591 1.835 429 HD13 LEU 52 HD13 LEU 52 -5.209 -6.151 2.833 430 HD21 LEU 52 HD21 LEU 52 -6.286 -8.956 3.316 431 HD22 LEU 52 HD22 LEU 52 -6.066 -7.683 4.519 432 HD23 LEU 52 HD23 LEU 52 -5.325 -9.266 4.761 433 H THR 53 H THR 53 -4.051 -12.378 2.047 434 HA THR 53 HA THR 53 -1.398 -13.068 1.018 435 HB THR 53 HB THR 53 -2.906 -14.890 1.918 436 HG1 THR 53 HG1 THR 53 -2.454 -16.298 0.020 437 HG21 THR 53 HG21 THR 53 -5.045 -14.208 0.969 438 HG22 THR 53 HG22 THR 53 -4.614 -15.833 0.432 439 HG23 THR 53 HG23 THR 53 -4.420 -14.460 -0.661 440 H GLU 54 H GLU 54 -1.728 -13.915 -1.506 441 HA GLU 54 HA GLU 54 -1.891 -11.379 -2.836 442 HB2 GLU 54 HB2 GLU 54 -0.197 -13.209 -3.302 443 HB3 GLU 54 HB3 GLU 54 -1.485 -14.096 -4.106 444 HG2 GLU 54 HG2 GLU 54 -0.069 -12.887 -5.683 445 HG3 GLU 54 HG3 GLU 54 -1.742 -12.320 -5.723 446 H ASN 55 H ASN 55 -3.796 -14.351 -2.872 447 HA ASN 55 HA ASN 55 -5.605 -13.532 -4.917 448 HB2 ASN 55 HB2 ASN 55 -5.084 -15.913 -4.070 449 HB3 ASN 55 HB3 ASN 55 -6.237 -15.567 -2.789 450 HD21 ASN 55 HD21 ASN 55 -6.507 -14.412 -6.103 451 HD22 ASN 55 HD22 ASN 55 -7.917 -15.336 -6.502 452 H GLU 56 H GLU 56 -5.497 -13.137 -1.458 453 HA GLU 56 HA GLU 56 -8.145 -12.179 -1.081 454 HB2 GLU 56 HB2 GLU 56 -6.725 -13.129 0.702 455 HB3 GLU 56 HB3 GLU 56 -5.641 -11.758 0.557 456 HG2 GLU 56 HG2 GLU 56 -7.340 -10.269 1.358 457 HG3 GLU 56 HG3 GLU 56 -8.527 -11.571 1.372 458 H TYR 57 H TYR 57 -5.072 -10.651 -1.942 459 HA TYR 57 HA TYR 57 -6.089 -7.980 -1.775 460 HB2 TYR 57 HB2 TYR 57 -3.655 -8.435 -1.643 461 HB3 TYR 57 HB3 TYR 57 -3.677 -8.998 -3.309 462 HD1 TYR 57 HD1 TYR 57 -3.860 -6.027 -1.129 463 HD2 TYR 57 HD2 TYR 57 -3.807 -7.422 -5.156 464 HE1 TYR 57 HE1 TYR 57 -3.451 -3.732 -1.927 465 HE2 TYR 57 HE2 TYR 57 -3.409 -5.133 -5.949 466 HH TYR 57 HH TYR 57 -3.778 -2.845 -5.187 467 H ALA 58 H ALA 58 -6.112 -10.501 -4.229 468 HA ALA 58 HA ALA 58 -6.823 -8.841 -6.431 469 HB1 ALA 58 HB1 ALA 58 -7.455 -10.908 -7.548 470 HB2 ALA 58 HB2 ALA 58 -7.365 -11.778 -6.017 471 HB3 ALA 58 HB3 ALA 58 -5.906 -11.084 -6.727 472 H GLU 59 H GLU 59 -8.618 -10.181 -3.791 473 HA GLU 59 HA GLU 59 -11.245 -9.771 -4.790 474 HB2 GLU 59 HB2 GLU 59 -10.130 -9.928 -1.992 475 HB3 GLU 59 HB3 GLU 59 -11.846 -9.780 -2.332 476 HG2 GLU 59 HG2 GLU 59 -10.121 -12.021 -3.340 477 HG3 GLU 59 HG3 GLU 59 -11.072 -12.088 -1.855 478 H LEU 60 H LEU 60 -8.945 -7.727 -3.075 479 HA LEU 60 HA LEU 60 -10.862 -5.609 -2.619 480 HB2 LEU 60 HB2 LEU 60 -7.891 -5.374 -2.222 481 HB3 LEU 60 HB3 LEU 60 -9.172 -4.517 -1.395 482 HG LEU 60 HG LEU 60 -8.403 -7.412 -0.994 483 HD11 LEU 60 HD11 LEU 60 -7.770 -6.649 1.245 484 HD12 LEU 60 HD12 LEU 60 -8.167 -4.993 0.784 485 HD13 LEU 60 HD13 LEU 60 -6.842 -5.836 -0.017 486 HD21 LEU 60 HD21 LEU 60 -10.559 -5.806 0.374 487 HD22 LEU 60 HD22 LEU 60 -10.037 -7.432 0.816 488 HD23 LEU 60 HD23 LEU 60 -10.813 -7.150 -0.742 489 H ALA 61 H ALA 61 -7.856 -6.049 -4.383 490 HA ALA 61 HA ALA 61 -6.735 -4.949 -5.966 491 HB1 ALA 61 HB1 ALA 61 -9.456 -4.363 -7.115 492 HB2 ALA 61 HB2 ALA 61 -8.562 -5.870 -7.328 493 HB3 ALA 61 HB3 ALA 61 -7.918 -4.363 -7.978 494 H ILE 62 H ILE 62 -8.967 -2.570 -6.893 495 HA ILE 62 HA ILE 62 -7.799 -0.610 -5.037 496 HB ILE 62 HB ILE 62 -8.687 -0.064 -7.886 497 HG12 ILE 62 HG12 ILE 62 -6.603 -1.314 -7.962 498 HG13 ILE 62 HG13 ILE 62 -6.305 0.360 -8.402 499 HG21 ILE 62 HG21 ILE 62 -9.037 1.833 -6.427 500 HG22 ILE 62 HG22 ILE 62 -7.726 2.159 -7.561 501 HG23 ILE 62 HG23 ILE 62 -7.360 1.751 -5.886 502 HD11 ILE 62 HD11 ILE 62 -5.411 0.774 -6.158 503 HD12 ILE 62 HD12 ILE 62 -4.529 -0.495 -7.009 504 HD13 ILE 62 HD13 ILE 62 -5.688 -0.921 -5.749 505 H PHE 63 H PHE 63 -9.365 -0.270 -3.595 506 HA PHE 63 HA PHE 63 -12.136 -0.238 -4.495 507 HB2 PHE 63 HB2 PHE 63 -10.833 -0.718 -1.876 508 HB3 PHE 63 HB3 PHE 63 -12.414 0.052 -1.843 509 HD1 PHE 63 HD1 PHE 63 -13.561 -1.365 -4.274 510 HD2 PHE 63 HD2 PHE 63 -11.407 -2.787 -0.894 511 HE1 PHE 63 HE1 PHE 63 -14.662 -3.550 -4.499 512 HE2 PHE 63 HE2 PHE 63 -12.501 -4.977 -1.116 513 HZ PHE 63 HZ PHE 63 -14.128 -5.362 -2.922 514 H ALA 64 H ALA 64 -10.422 1.673 -2.032 515 HA ALA 64 HA ALA 64 -12.165 3.918 -2.620 516 HB1 ALA 64 HB1 ALA 64 -11.854 3.214 -0.300 517 HB2 ALA 64 HB2 ALA 64 -11.295 4.868 -0.559 518 HB3 ALA 64 HB3 ALA 64 -10.126 3.552 -0.431 519 H ALA 65 H ALA 65 -11.521 4.972 -4.363 520 HA ALA 65 HA ALA 65 -9.022 6.460 -4.257 521 HB1 ALA 65 HB1 ALA 65 -8.419 4.436 -5.521 522 HB2 ALA 65 HB2 ALA 65 -8.398 5.862 -6.557 523 HB3 ALA 65 HB3 ALA 65 -9.751 4.735 -6.640 524 H ASP 66 H ASP 66 -9.044 7.929 -6.403 525 HA ASP 66 HA ASP 66 -9.983 9.441 -7.791 526 HB2 ASP 66 HB2 ASP 66 -11.452 7.764 -8.684 527 HB3 ASP 66 HB3 ASP 66 -12.549 7.904 -7.315 528 H GLU 67 H GLU 67 -11.497 9.031 -4.670 529 HA GLU 67 HA GLU 67 -12.859 11.523 -4.563 530 HB2 GLU 67 HB2 GLU 67 -11.873 9.789 -2.297 531 HB3 GLU 67 HB3 GLU 67 -13.089 11.053 -2.171 532 HG2 GLU 67 HG2 GLU 67 -13.340 8.499 -3.753 533 HG3 GLU 67 HG3 GLU 67 -14.081 8.829 -2.189 534 H VAL 68 H VAL 68 -9.573 10.639 -4.148 535 HA VAL 68 HA VAL 68 -8.811 13.015 -2.664 536 HB VAL 68 HB VAL 68 -6.495 12.140 -2.915 537 HG11 VAL 68 HG11 VAL 68 -7.792 11.512 -0.975 538 HG12 VAL 68 HG12 VAL 68 -6.788 10.157 -1.491 539 HG13 VAL 68 HG13 VAL 68 -8.514 10.170 -1.861 540 HG21 VAL 68 HG21 VAL 68 -6.154 9.885 -3.823 541 HG22 VAL 68 HG22 VAL 68 -6.719 11.015 -5.054 542 HG23 VAL 68 HG23 VAL 68 -7.840 9.853 -4.346 543 H LEU 69 H LEU 69 -9.697 12.585 -5.759 544 HA LEU 69 HA LEU 69 -7.641 14.299 -6.936 545 HB2 LEU 69 HB2 LEU 69 -9.945 12.860 -8.254 546 HB3 LEU 69 HB3 LEU 69 -8.703 13.772 -9.088 547 HG LEU 69 HG LEU 69 -8.202 11.269 -7.469 548 HD11 LEU 69 HD11 LEU 69 -7.865 10.187 -9.646 549 HD12 LEU 69 HD12 LEU 69 -8.383 11.669 -10.451 550 HD13 LEU 69 HD13 LEU 69 -9.517 10.769 -9.442 551 HD21 LEU 69 HD21 LEU 69 -6.399 12.850 -9.304 552 HD22 LEU 69 HD22 LEU 69 -5.996 11.315 -8.536 553 HD23 LEU 69 HD23 LEU 69 -6.267 12.749 -7.546 554 H GLU 70 H GLU 70 -11.107 14.139 -6.270 555 HA GLU 70 HA GLU 70 -11.791 16.735 -7.200 556 HB2 GLU 70 HB2 GLU 70 -13.352 14.785 -6.594 557 HB3 GLU 70 HB3 GLU 70 -13.112 15.243 -4.917 558 HG2 GLU 70 HG2 GLU 70 -14.208 17.127 -6.986 559 HG3 GLU 70 HG3 GLU 70 -15.226 16.047 -6.049 560 H HIS 71 H HIS 71 -11.209 15.472 -3.931 561 HA HIS 71 HA HIS 71 -10.864 18.023 -2.721 562 HB2 HIS 71 HB2 HIS 71 -10.153 15.237 -1.791 563 HB3 HIS 71 HB3 HIS 71 -9.919 16.677 -0.801 564 HD1 HIS 71 HD1 HIS 71 -12.492 14.250 -1.884 565 HD2 HIS 71 HD2 HIS 71 -12.368 17.959 -0.010 566 HE1 HIS 71 HE1 HIS 71 -14.780 14.597 -0.912 567 HE2 HIS 71 HE2 HIS 71 -14.746 16.944 -0.006 568 H HIS 72 H HIS 72 -9.011 19.074 -2.151 569 HA HIS 72 HA HIS 72 -6.998 20.002 -2.476 570 HB2 HIS 72 HB2 HIS 72 -6.067 17.343 -3.585 571 HB3 HIS 72 HB3 HIS 72 -5.034 18.750 -3.360 572 HD1 HIS 72 HD1 HIS 72 -4.726 19.536 -0.797 573 HD2 HIS 72 HD2 HIS 72 -6.329 15.747 -1.404 574 HE1 HIS 72 HE1 HIS 72 -4.553 18.364 1.421 575 HE2 HIS 72 HE2 HIS 72 -5.323 16.005 0.966 576 H HIS 73 H HIS 73 -6.563 21.482 -3.876 577 HA HIS 73 HA HIS 73 -7.921 21.336 -6.431 578 HB2 HIS 73 HB2 HIS 73 -6.571 23.635 -5.005 579 HB3 HIS 73 HB3 HIS 73 -7.337 23.779 -6.582 580 HD1 HIS 73 HD1 HIS 73 -9.916 23.748 -6.663 581 HD2 HIS 73 HD2 HIS 73 -8.348 23.464 -2.824 582 HE1 HIS 73 HE1 HIS 73 -11.857 24.122 -5.114 583 HE2 HIS 73 HE2 HIS 73 -10.921 23.743 -2.807 584 H HIS 74 H HIS 74 -6.997 21.777 -8.425 585 HA HIS 74 HA HIS 74 -4.506 20.481 -8.828 586 HB2 HIS 74 HB2 HIS 74 -4.912 20.743 -11.190 587 HB3 HIS 74 HB3 HIS 74 -6.426 20.320 -10.408 588 HD1 HIS 74 HD1 HIS 74 -8.274 22.222 -10.319 589 HD2 HIS 74 HD2 HIS 74 -4.902 23.155 -12.559 590 HE1 HIS 74 HE1 HIS 74 -8.910 24.222 -11.701 591 HE2 HIS 74 HE2 HIS 74 -6.919 24.631 -13.189 592 H HIS 75 H HIS 75 -2.695 21.320 -10.046 593 HA HIS 75 HA HIS 75 -2.221 24.174 -9.503 594 HB2 HIS 75 HB2 HIS 75 -0.186 21.930 -9.316 595 HB3 HIS 75 HB3 HIS 75 0.149 23.638 -9.059 596 HD1 HIS 75 HD1 HIS 75 -1.027 24.715 -6.882 597 HD2 HIS 75 HD2 HIS 75 -1.009 20.561 -7.098 598 HE1 HIS 75 HE1 HIS 75 -1.578 23.910 -4.567 599 HE2 HIS 75 HE2 HIS 75 -1.597 21.393 -4.730 600 H HIS 76 H HIS 76 -2.530 25.008 -11.494 601 HA HIS 76 HA HIS 76 -1.517 23.673 -13.866 602 HB2 HIS 76 HB2 HIS 76 -3.724 24.942 -13.748 603 HB3 HIS 76 HB3 HIS 76 -2.784 26.425 -13.677 604 HD1 HIS 76 HD1 HIS 76 -4.435 24.229 -16.013 605 HD2 HIS 76 HD2 HIS 76 -1.111 26.726 -16.160 606 HE1 HIS 76 HE1 HIS 76 -4.017 24.665 -18.451 607 HE2 HIS 76 HE2 HIS 76 -2.027 26.211 -18.520 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -13.965 -6.982 6.836 2 H2 MET 1 H2 MET 1 -12.463 -7.535 7.397 3 H3 MET 1 H3 MET 1 -13.089 -8.120 5.933 4 HA MET 1 HA MET 1 -11.314 -6.478 5.627 5 HB2 MET 1 HB2 MET 1 -12.997 -6.801 3.878 6 HB3 MET 1 HB3 MET 1 -14.079 -5.673 4.679 7 HG2 MET 1 HG2 MET 1 -12.493 -3.857 4.254 8 HG3 MET 1 HG3 MET 1 -11.417 -4.993 3.441 9 HE1 MET 1 HE1 MET 1 -12.995 -2.650 0.637 10 HE2 MET 1 HE2 MET 1 -11.497 -3.125 1.439 11 HE3 MET 1 HE3 MET 1 -12.711 -2.194 2.317 12 H ILE 2 H ILE 2 -10.313 -4.937 6.804 13 HA ILE 2 HA ILE 2 -11.875 -3.071 8.351 14 HB ILE 2 HB ILE 2 -9.862 -2.086 9.165 15 HG12 ILE 2 HG12 ILE 2 -8.198 -3.808 7.320 16 HG13 ILE 2 HG13 ILE 2 -8.636 -2.148 6.924 17 HG21 ILE 2 HG21 ILE 2 -9.547 -5.072 8.971 18 HG22 ILE 2 HG22 ILE 2 -10.452 -4.180 10.196 19 HG23 ILE 2 HG23 ILE 2 -8.694 -4.036 10.113 20 HD11 ILE 2 HD11 ILE 2 -7.484 -1.360 8.920 21 HD12 ILE 2 HD12 ILE 2 -6.401 -2.294 7.885 22 HD13 ILE 2 HD13 ILE 2 -7.073 -3.022 9.344 23 H ARG 3 H ARG 3 -11.620 -0.738 8.111 24 HA ARG 3 HA ARG 3 -11.950 -0.176 5.257 25 HB2 ARG 3 HB2 ARG 3 -13.221 1.048 7.698 26 HB3 ARG 3 HB3 ARG 3 -13.271 1.846 6.136 27 HG2 ARG 3 HG2 ARG 3 -15.318 0.715 6.349 28 HG3 ARG 3 HG3 ARG 3 -14.360 -0.260 5.239 29 HD2 ARG 3 HD2 ARG 3 -13.761 -1.746 7.094 30 HD3 ARG 3 HD3 ARG 3 -14.772 -0.788 8.177 31 HE ARG 3 HE ARG 3 -15.877 -2.189 5.830 32 HH11 ARG 3 HH11 ARG 3 -16.000 -1.365 9.237 33 HH12 ARG 3 HH12 ARG 3 -17.413 -2.320 9.546 34 HH21 ARG 3 HH21 ARG 3 -17.753 -3.419 6.239 35 HH22 ARG 3 HH22 ARG 3 -18.415 -3.474 7.845 36 H LEU 4 H LEU 4 -10.161 0.568 4.493 37 HA LEU 4 HA LEU 4 -8.443 2.344 6.002 38 HB2 LEU 4 HB2 LEU 4 -8.267 1.354 3.153 39 HB3 LEU 4 HB3 LEU 4 -7.001 2.204 4.021 40 HG LEU 4 HG LEU 4 -8.063 -0.425 5.021 41 HD11 LEU 4 HD11 LEU 4 -7.402 -0.797 2.728 42 HD12 LEU 4 HD12 LEU 4 -6.233 -1.518 3.833 43 HD13 LEU 4 HD13 LEU 4 -5.855 0.001 3.021 44 HD21 LEU 4 HD21 LEU 4 -5.842 -0.562 6.041 45 HD22 LEU 4 HD22 LEU 4 -6.701 0.891 6.556 46 HD23 LEU 4 HD23 LEU 4 -5.424 1.003 5.344 47 H THR 5 H THR 5 -7.724 4.436 4.933 48 HA THR 5 HA THR 5 -10.052 5.837 3.941 49 HB THR 5 HB THR 5 -8.836 7.869 4.088 50 HG1 THR 5 HG1 THR 5 -6.404 6.526 4.651 51 HG21 THR 5 HG21 THR 5 -7.908 6.115 6.363 52 HG22 THR 5 HG22 THR 5 -9.450 6.969 6.268 53 HG23 THR 5 HG23 THR 5 -7.941 7.878 6.367 54 H ILE 6 H ILE 6 -9.666 7.353 2.046 55 HA ILE 6 HA ILE 6 -9.104 5.804 -0.238 56 HB ILE 6 HB ILE 6 -9.344 8.806 -0.196 57 HG12 ILE 6 HG12 ILE 6 -11.214 7.919 1.102 58 HG13 ILE 6 HG13 ILE 6 -11.790 8.505 -0.451 59 HG21 ILE 6 HG21 ILE 6 -10.325 8.504 -2.425 60 HG22 ILE 6 HG22 ILE 6 -10.052 6.765 -2.302 61 HG23 ILE 6 HG23 ILE 6 -8.678 7.873 -2.336 62 HD11 ILE 6 HD11 ILE 6 -12.887 6.436 0.192 63 HD12 ILE 6 HD12 ILE 6 -11.323 5.623 0.281 64 HD13 ILE 6 HD13 ILE 6 -11.923 6.215 -1.269 65 H GLU 7 H GLU 7 -7.095 7.883 1.704 66 HA GLU 7 HA GLU 7 -5.020 8.320 -0.164 67 HB2 GLU 7 HB2 GLU 7 -5.014 8.304 2.852 68 HB3 GLU 7 HB3 GLU 7 -3.588 8.678 1.899 69 HG2 GLU 7 HG2 GLU 7 -4.322 10.779 2.236 70 HG3 GLU 7 HG3 GLU 7 -5.257 10.414 0.791 71 H GLU 8 H GLU 8 -5.579 5.706 2.198 72 HA GLU 8 HA GLU 8 -3.174 4.291 1.701 73 HB2 GLU 8 HB2 GLU 8 -5.839 3.458 2.821 74 HB3 GLU 8 HB3 GLU 8 -4.583 2.272 2.523 75 HG2 GLU 8 HG2 GLU 8 -4.038 2.681 4.642 76 HG3 GLU 8 HG3 GLU 8 -3.199 4.075 3.972 77 H THR 9 H THR 9 -6.391 4.121 0.254 78 HA THR 9 HA THR 9 -5.905 1.900 -1.451 79 HB THR 9 HB THR 9 -7.960 4.076 -1.912 80 HG1 THR 9 HG1 THR 9 -8.049 3.352 0.299 81 HG21 THR 9 HG21 THR 9 -9.316 2.224 -2.779 82 HG22 THR 9 HG22 THR 9 -7.997 1.100 -2.448 83 HG23 THR 9 HG23 THR 9 -7.793 2.368 -3.658 84 H ASN 10 H ASN 10 -5.547 5.375 -1.826 85 HA ASN 10 HA ASN 10 -5.072 5.427 -4.627 86 HB2 ASN 10 HB2 ASN 10 -5.866 7.377 -3.350 87 HB3 ASN 10 HB3 ASN 10 -4.326 7.462 -2.510 88 HD21 ASN 10 HD21 ASN 10 -2.633 8.466 -3.474 89 HD22 ASN 10 HD22 ASN 10 -2.732 9.259 -5.002 90 H LEU 11 H LEU 11 -2.970 5.025 -1.839 91 HA LEU 11 HA LEU 11 -0.468 5.396 -3.082 92 HB2 LEU 11 HB2 LEU 11 -0.710 5.261 -0.677 93 HB3 LEU 11 HB3 LEU 11 -1.297 3.614 -0.788 94 HG LEU 11 HG LEU 11 0.986 3.055 -1.810 95 HD11 LEU 11 HD11 LEU 11 1.729 5.312 -2.270 96 HD12 LEU 11 HD12 LEU 11 2.823 4.521 -1.134 97 HD13 LEU 11 HD13 LEU 11 1.653 5.707 -0.554 98 HD21 LEU 11 HD21 LEU 11 0.781 3.902 1.065 99 HD22 LEU 11 HD22 LEU 11 1.976 2.792 0.392 100 HD23 LEU 11 HD23 LEU 11 0.267 2.353 0.394 101 H LEU 12 H LEU 12 -2.544 2.570 -2.780 102 HA LEU 12 HA LEU 12 -0.815 0.712 -4.063 103 HB2 LEU 12 HB2 LEU 12 -3.817 0.633 -3.734 104 HB3 LEU 12 HB3 LEU 12 -2.786 -0.729 -4.124 105 HG LEU 12 HG LEU 12 -2.670 0.819 -1.535 106 HD11 LEU 12 HD11 LEU 12 -4.774 -0.388 -1.750 107 HD12 LEU 12 HD12 LEU 12 -3.735 -1.143 -0.541 108 HD13 LEU 12 HD13 LEU 12 -3.895 -1.868 -2.141 109 HD21 LEU 12 HD21 LEU 12 -1.279 -1.044 -0.766 110 HD22 LEU 12 HD22 LEU 12 -0.546 -0.207 -2.135 111 HD23 LEU 12 HD23 LEU 12 -1.351 -1.758 -2.377 112 H SER 13 H SER 13 -3.292 2.926 -5.153 113 HA SER 13 HA SER 13 -3.553 1.971 -7.809 114 HB2 SER 13 HB2 SER 13 -5.274 3.315 -6.682 115 HB3 SER 13 HB3 SER 13 -4.177 4.694 -6.637 116 HG SER 13 HG SER 13 -4.220 4.731 -8.908 117 H ILE 14 H ILE 14 -1.243 4.113 -6.278 118 HA ILE 14 HA ILE 14 -0.305 5.522 -8.517 119 HB ILE 14 HB ILE 14 1.112 4.764 -5.952 120 HG12 ILE 14 HG12 ILE 14 -0.049 7.403 -6.865 121 HG13 ILE 14 HG13 ILE 14 -0.874 6.267 -5.804 122 HG21 ILE 14 HG21 ILE 14 2.812 5.185 -7.663 123 HG22 ILE 14 HG22 ILE 14 2.784 6.483 -6.469 124 HG23 ILE 14 HG23 ILE 14 2.049 6.726 -8.054 125 HD11 ILE 14 HD11 ILE 14 1.703 7.702 -5.205 126 HD12 ILE 14 HD12 ILE 14 0.893 6.553 -4.140 127 HD13 ILE 14 HD13 ILE 14 0.111 8.082 -4.545 128 H TYR 15 H TYR 15 0.825 2.446 -7.104 129 HA TYR 15 HA TYR 15 2.642 2.142 -9.374 130 HB2 TYR 15 HB2 TYR 15 2.492 0.581 -6.784 131 HB3 TYR 15 HB3 TYR 15 3.664 0.293 -8.066 132 HD1 TYR 15 HD2 TYR 15 5.335 2.083 -8.613 133 HD2 TYR 15 HD1 TYR 15 2.814 2.305 -5.196 134 HE1 TYR 15 HE2 TYR 15 6.806 3.798 -7.648 135 HE2 TYR 15 HE1 TYR 15 4.272 4.025 -4.222 136 HH TYR 15 HH TYR 15 6.642 5.647 -6.022 137 H ASN 16 H ASN 16 0.831 -0.230 -7.484 138 HA ASN 16 HA ASN 16 -0.234 -2.138 -7.986 139 HB2 ASN 16 HB2 ASN 16 -1.927 -0.429 -8.697 140 HB3 ASN 16 HB3 ASN 16 -1.352 -0.628 -10.347 141 HD21 ASN 16 HD21 ASN 16 -2.937 -2.205 -7.678 142 HD22 ASN 16 HD22 ASN 16 -3.712 -3.436 -8.615 143 H GLU 17 H GLU 17 1.714 -3.284 -8.438 144 HA GLU 17 HA GLU 17 2.248 -3.666 -11.292 145 HB2 GLU 17 HB2 GLU 17 4.123 -2.971 -9.756 146 HB3 GLU 17 HB3 GLU 17 4.000 -4.558 -9.007 147 HG2 GLU 17 HG2 GLU 17 4.434 -5.574 -11.236 148 HG3 GLU 17 HG3 GLU 17 4.728 -3.952 -11.862 149 H GLY 18 H GLY 18 3.133 -6.126 -8.913 150 HA2 GLY 18 HA2 GLY 18 1.246 -7.913 -10.301 151 HA3 GLY 18 HA3 GLY 18 2.852 -8.403 -9.780 152 H GLY 19 H GLY 19 -0.342 -7.468 -8.710 153 HA2 GLY 19 HA2 GLY 19 -1.556 -8.056 -6.847 154 HA3 GLY 19 HA3 GLY 19 -0.321 -9.264 -6.496 155 H LYS 20 H LYS 20 -0.202 -8.864 -4.318 156 HA LYS 20 HA LYS 20 0.369 -6.157 -3.427 157 HB2 LYS 20 HB2 LYS 20 0.066 -6.968 -1.195 158 HB3 LYS 20 HB3 LYS 20 -1.233 -7.579 -2.196 159 HG2 LYS 20 HG2 LYS 20 -0.824 -9.541 -1.252 160 HG3 LYS 20 HG3 LYS 20 0.602 -9.618 -2.293 161 HD2 LYS 20 HD2 LYS 20 1.904 -8.499 -0.507 162 HD3 LYS 20 HD3 LYS 20 0.479 -8.558 0.533 163 HE2 LYS 20 HE2 LYS 20 1.934 -10.377 1.081 164 HE3 LYS 20 HE3 LYS 20 0.479 -11.014 0.317 165 HZ1 LYS 20 HZ1 LYS 20 3.089 -10.589 -1.034 166 HZ2 LYS 20 HZ2 LYS 20 1.694 -11.244 -1.752 167 HZ3 LYS 20 HZ3 LYS 20 2.488 -12.085 -0.507 168 H ARG 21 H ARG 21 2.059 -9.039 -4.231 169 HA ARG 21 HA ARG 21 4.481 -8.586 -2.824 170 HB2 ARG 21 HB2 ARG 21 3.662 -10.199 -5.188 171 HB3 ARG 21 HB3 ARG 21 5.377 -9.876 -4.985 172 HG2 ARG 21 HG2 ARG 21 5.542 -11.159 -3.111 173 HG3 ARG 21 HG3 ARG 21 3.858 -10.903 -2.652 174 HD2 ARG 21 HD2 ARG 21 3.091 -12.434 -4.296 175 HD3 ARG 21 HD3 ARG 21 4.681 -12.521 -5.051 176 HE ARG 21 HE ARG 21 5.458 -13.711 -3.088 177 HH11 ARG 21 HH11 ARG 21 1.959 -13.445 -3.336 178 HH12 ARG 21 HH12 ARG 21 1.684 -14.934 -2.479 179 HH21 ARG 21 HH21 ARG 21 5.056 -15.644 -1.967 180 HH22 ARG 21 HH22 ARG 21 3.418 -16.157 -1.698 181 H GLY 22 H GLY 22 3.521 -7.811 -6.171 182 HA2 GLY 22 HA2 GLY 22 5.779 -6.264 -6.810 183 HA3 GLY 22 HA3 GLY 22 4.227 -6.161 -7.611 184 H LEU 23 H LEU 23 2.811 -5.371 -5.139 185 HA LEU 23 HA LEU 23 3.323 -2.572 -5.137 186 HB2 LEU 23 HB2 LEU 23 1.465 -4.365 -3.742 187 HB3 LEU 23 HB3 LEU 23 1.941 -2.962 -2.807 188 HG LEU 23 HG LEU 23 -0.122 -2.493 -3.973 189 HD11 LEU 23 HD11 LEU 23 2.190 -1.040 -5.253 190 HD12 LEU 23 HD12 LEU 23 1.416 -0.627 -3.723 191 HD13 LEU 23 HD13 LEU 23 0.513 -0.490 -5.233 192 HD21 LEU 23 HD21 LEU 23 -0.236 -2.463 -6.414 193 HD22 LEU 23 HD22 LEU 23 0.072 -4.081 -5.783 194 HD23 LEU 23 HD23 LEU 23 1.389 -3.144 -6.491 195 H MET 24 H MET 24 4.057 -5.098 -2.707 196 HA MET 24 HA MET 24 5.159 -3.329 -0.801 197 HB2 MET 24 HB2 MET 24 5.385 -6.293 -1.199 198 HB3 MET 24 HB3 MET 24 6.255 -5.467 0.090 199 HG2 MET 24 HG2 MET 24 4.118 -4.590 0.923 200 HG3 MET 24 HG3 MET 24 3.287 -5.517 -0.325 201 HE1 MET 24 HE1 MET 24 2.546 -7.275 3.129 202 HE2 MET 24 HE2 MET 24 1.817 -6.485 1.732 203 HE3 MET 24 HE3 MET 24 2.823 -5.557 2.843 204 H GLU 25 H GLU 25 6.710 -5.259 -3.334 205 HA GLU 25 HA GLU 25 9.359 -4.707 -2.537 206 HB2 GLU 25 HB2 GLU 25 8.217 -5.598 -5.184 207 HB3 GLU 25 HB3 GLU 25 9.936 -5.536 -4.834 208 HG2 GLU 25 HG2 GLU 25 7.888 -7.223 -3.407 209 HG3 GLU 25 HG3 GLU 25 9.066 -7.797 -4.580 210 H ASN 26 H ASN 26 7.196 -3.064 -4.813 211 HA ASN 26 HA ASN 26 9.233 -1.206 -5.651 212 HB2 ASN 26 HB2 ASN 26 6.315 -1.492 -6.248 213 HB3 ASN 26 HB3 ASN 26 7.159 0.002 -6.655 214 HD21 ASN 26 HD21 ASN 26 6.808 -3.371 -7.359 215 HD22 ASN 26 HD22 ASN 26 7.715 -3.350 -8.837 216 H ILE 27 H ILE 27 6.651 -1.213 -3.273 217 HA ILE 27 HA ILE 27 6.713 1.580 -2.778 218 HB ILE 27 HB ILE 27 5.510 -0.738 -1.292 219 HG12 ILE 27 HG12 ILE 27 4.334 1.775 -2.511 220 HG13 ILE 27 HG13 ILE 27 4.377 0.195 -3.282 221 HG21 ILE 27 HG21 ILE 27 6.321 0.723 0.479 222 HG22 ILE 27 HG22 ILE 27 4.561 0.777 0.374 223 HG23 ILE 27 HG23 ILE 27 5.523 2.102 -0.280 224 HD11 ILE 27 HD11 ILE 27 2.916 -0.696 -1.542 225 HD12 ILE 27 HD12 ILE 27 2.179 0.679 -2.364 226 HD13 ILE 27 HD13 ILE 27 2.882 0.883 -0.758 227 H ASN 28 H ASN 28 8.283 -1.177 -1.086 228 HA ASN 28 HA ASN 28 9.489 0.445 0.906 229 HB2 ASN 28 HB2 ASN 28 9.966 -2.361 -0.009 230 HB3 ASN 28 HB3 ASN 28 11.111 -1.595 1.086 231 HD21 ASN 28 HD21 ASN 28 8.001 -2.993 0.737 232 HD22 ASN 28 HD22 ASN 28 7.548 -2.914 2.405 233 H ALA 29 H ALA 29 10.526 -0.476 -2.303 234 HA ALA 29 HA ALA 29 13.207 0.487 -2.013 235 HB1 ALA 29 HB1 ALA 29 11.622 -0.022 -4.528 236 HB2 ALA 29 HB2 ALA 29 12.612 -1.209 -3.675 237 HB3 ALA 29 HB3 ALA 29 13.369 0.201 -4.417 238 H ALA 30 H ALA 30 10.149 1.923 -2.926 239 HA ALA 30 HA ALA 30 11.497 4.377 -3.792 240 HB1 ALA 30 HB1 ALA 30 9.931 3.383 -5.383 241 HB2 ALA 30 HB2 ALA 30 9.408 4.986 -4.865 242 HB3 ALA 30 HB3 ALA 30 8.630 3.545 -4.206 243 H LEU 31 H LEU 31 10.793 3.405 -0.911 244 HA LEU 31 HA LEU 31 8.894 5.084 0.216 245 HB2 LEU 31 HB2 LEU 31 11.387 3.901 1.383 246 HB3 LEU 31 HB3 LEU 31 10.299 4.883 2.337 247 HG LEU 31 HG LEU 31 9.610 2.263 1.000 248 HD11 LEU 31 HD11 LEU 31 11.060 2.011 2.936 249 HD12 LEU 31 HD12 LEU 31 9.432 1.440 3.296 250 HD13 LEU 31 HD13 LEU 31 9.969 3.006 3.900 251 HD21 LEU 31 HD21 LEU 31 7.937 4.034 2.778 252 HD22 LEU 31 HD22 LEU 31 7.484 2.431 2.193 253 HD23 LEU 31 HD23 LEU 31 7.687 3.764 1.053 254 HA PRO 32 HA PRO 32 11.997 8.663 0.891 255 HB2 PRO 32 HB2 PRO 32 14.443 8.260 -0.587 256 HB3 PRO 32 HB3 PRO 32 14.226 8.470 1.151 257 HG2 PRO 32 HG2 PRO 32 15.048 6.135 0.011 258 HG3 PRO 32 HG3 PRO 32 14.166 6.219 1.546 259 HD2 PRO 32 HD2 PRO 32 13.139 5.597 -1.199 260 HD3 PRO 32 HD3 PRO 32 12.767 4.813 0.353 261 H PHE 33 H PHE 33 11.182 7.255 -2.013 262 HA PHE 33 HA PHE 33 11.881 9.573 -3.650 263 HB2 PHE 33 HB2 PHE 33 10.748 6.875 -4.400 264 HB3 PHE 33 HB3 PHE 33 11.049 8.172 -5.549 265 HD1 PHE 33 HD2 PHE 33 13.396 8.930 -5.945 266 HD2 PHE 33 HD1 PHE 33 12.483 5.457 -3.668 267 HE1 PHE 33 HE2 PHE 33 15.704 8.134 -6.232 268 HE2 PHE 33 HE1 PHE 33 14.786 4.659 -3.952 269 HZ PHE 33 HZ PHE 33 16.401 5.997 -5.238 270 H MET 34 H MET 34 9.212 8.162 -1.999 271 HA MET 34 HA MET 34 7.111 9.295 -3.586 272 HB2 MET 34 HB2 MET 34 7.056 8.253 -0.747 273 HB3 MET 34 HB3 MET 34 5.640 8.705 -1.675 274 HG2 MET 34 HG2 MET 34 5.985 6.900 -3.195 275 HG3 MET 34 HG3 MET 34 7.539 6.512 -2.445 276 HE1 MET 34 HE1 MET 34 5.457 3.474 -1.301 277 HE2 MET 34 HE2 MET 34 6.962 4.039 -2.028 278 HE3 MET 34 HE3 MET 34 5.430 4.281 -2.869 279 H ASP 35 H ASP 35 7.650 9.872 -0.153 280 HA ASP 35 HA ASP 35 7.804 12.657 -0.067 281 HB2 ASP 35 HB2 ASP 35 5.539 12.521 -1.148 282 HB3 ASP 35 HB3 ASP 35 4.974 11.556 0.206 283 H GLU 36 H GLU 36 7.501 13.365 2.235 284 HA GLU 36 HA GLU 36 8.357 11.503 4.158 285 HB2 GLU 36 HB2 GLU 36 6.916 14.129 4.564 286 HB3 GLU 36 HB3 GLU 36 7.833 13.262 5.784 287 HG2 GLU 36 HG2 GLU 36 9.873 13.637 4.606 288 HG3 GLU 36 HG3 GLU 36 9.005 14.336 3.240 289 H ASP 37 H ASP 37 5.134 12.846 3.467 290 HA ASP 37 HA ASP 37 3.865 11.481 5.667 291 HB2 ASP 37 HB2 ASP 37 3.156 13.725 4.621 292 HB3 ASP 37 HB3 ASP 37 2.439 12.760 3.332 293 H MET 38 H MET 38 4.238 11.008 2.216 294 HA MET 38 HA MET 38 2.356 8.882 1.964 295 HB2 MET 38 HB2 MET 38 3.607 10.467 0.182 296 HB3 MET 38 HB3 MET 38 4.607 9.028 0.051 297 HG2 MET 38 HG2 MET 38 2.935 8.871 -1.611 298 HG3 MET 38 HG3 MET 38 2.521 7.712 -0.349 299 HE1 MET 38 HE1 MET 38 0.036 7.499 -1.272 300 HE2 MET 38 HE2 MET 38 0.404 8.639 -2.568 301 HE3 MET 38 HE3 MET 38 -1.023 8.879 -1.559 302 H ARG 39 H ARG 39 5.721 9.029 2.909 303 HA ARG 39 HA ARG 39 6.309 6.253 2.616 304 HB2 ARG 39 HB2 ARG 39 8.015 8.116 2.898 305 HB3 ARG 39 HB3 ARG 39 7.595 8.134 4.606 306 HG2 ARG 39 HG2 ARG 39 8.189 5.683 4.649 307 HG3 ARG 39 HG3 ARG 39 8.851 5.904 3.032 308 HD2 ARG 39 HD2 ARG 39 10.680 6.100 4.487 309 HD3 ARG 39 HD3 ARG 39 10.270 7.753 4.027 310 HE ARG 39 HE ARG 39 8.950 7.680 6.252 311 HH11 ARG 39 HH11 ARG 39 12.026 6.050 5.716 312 HH12 ARG 39 HH12 ARG 39 12.518 6.191 7.375 313 HH21 ARG 39 HH21 ARG 39 9.592 7.839 8.403 314 HH22 ARG 39 HH22 ARG 39 11.133 7.212 8.912 315 H GLU 40 H GLU 40 5.074 8.233 5.291 316 HA GLU 40 HA GLU 40 4.984 6.099 7.190 317 HB2 GLU 40 HB2 GLU 40 3.331 8.625 7.255 318 HB3 GLU 40 HB3 GLU 40 3.783 7.608 8.613 319 HG2 GLU 40 HG2 GLU 40 5.570 9.406 6.996 320 HG3 GLU 40 HG3 GLU 40 5.084 9.605 8.676 321 H LEU 41 H LEU 41 2.826 7.382 4.808 322 HA LEU 41 HA LEU 41 0.474 5.958 5.527 323 HB2 LEU 41 HB2 LEU 41 0.521 7.987 4.124 324 HB3 LEU 41 HB3 LEU 41 1.389 7.109 2.884 325 HG LEU 41 HG LEU 41 -0.570 5.664 2.545 326 HD11 LEU 41 HD11 LEU 41 -1.895 7.491 4.537 327 HD12 LEU 41 HD12 LEU 41 -1.514 5.786 4.785 328 HD13 LEU 41 HD13 LEU 41 -2.698 6.258 3.567 329 HD21 LEU 41 HD21 LEU 41 -1.985 7.353 1.501 330 HD22 LEU 41 HD22 LEU 41 -0.275 7.660 1.193 331 HD23 LEU 41 HD23 LEU 41 -1.141 8.613 2.399 332 H ALA 42 H ALA 42 3.232 5.314 3.420 333 HA ALA 42 HA ALA 42 2.328 2.920 2.276 334 HB1 ALA 42 HB1 ALA 42 4.213 4.200 1.418 335 HB2 ALA 42 HB2 ALA 42 4.663 2.525 1.742 336 HB3 ALA 42 HB3 ALA 42 5.145 3.800 2.861 337 H LYS 43 H LYS 43 4.126 3.571 5.235 338 HA LYS 43 HA LYS 43 4.475 0.878 6.038 339 HB2 LYS 43 HB2 LYS 43 4.428 3.443 7.629 340 HB3 LYS 43 HB3 LYS 43 4.937 1.883 8.267 341 HG2 LYS 43 HG2 LYS 43 6.771 1.788 6.720 342 HG3 LYS 43 HG3 LYS 43 6.217 3.260 5.919 343 HD2 LYS 43 HD2 LYS 43 6.609 4.520 7.981 344 HD3 LYS 43 HD3 LYS 43 7.164 3.042 8.771 345 HE2 LYS 43 HE2 LYS 43 8.431 4.328 6.355 346 HE3 LYS 43 HE3 LYS 43 9.038 4.417 8.008 347 HZ1 LYS 43 HZ1 LYS 43 10.218 2.729 6.788 348 HZ2 LYS 43 HZ2 LYS 43 8.769 1.955 6.364 349 HZ3 LYS 43 HZ3 LYS 43 9.268 1.988 7.980 350 H ARG 44 H ARG 44 1.874 3.186 6.446 351 HA ARG 44 HA ARG 44 0.358 1.727 8.349 352 HB2 ARG 44 HB2 ARG 44 0.132 4.162 7.859 353 HB3 ARG 44 HB3 ARG 44 -0.585 3.755 6.309 354 HG2 ARG 44 HG2 ARG 44 -2.284 4.366 7.929 355 HG3 ARG 44 HG3 ARG 44 -2.454 2.680 7.445 356 HD2 ARG 44 HD2 ARG 44 -2.771 2.919 9.838 357 HD3 ARG 44 HD3 ARG 44 -1.324 1.977 9.499 358 HE ARG 44 HE ARG 44 -1.303 4.811 10.331 359 HH11 ARG 44 HH11 ARG 44 0.147 1.605 10.364 360 HH12 ARG 44 HH12 ARG 44 1.432 2.071 11.435 361 HH21 ARG 44 HH21 ARG 44 0.373 5.390 11.726 362 HH22 ARG 44 HH22 ARG 44 1.561 4.212 12.199 363 H THR 45 H THR 45 0.216 1.948 4.809 364 HA THR 45 HA THR 45 -2.069 0.283 4.518 365 HB THR 45 HB THR 45 -0.014 0.872 2.372 366 HG1 THR 45 HG1 THR 45 -0.669 2.861 3.242 367 HG21 THR 45 HG21 THR 45 -2.988 0.337 2.234 368 HG22 THR 45 HG22 THR 45 -1.712 -0.792 1.783 369 HG23 THR 45 HG23 THR 45 -1.935 0.694 0.861 370 H LEU 46 H LEU 46 1.442 -0.314 4.211 371 HA LEU 46 HA LEU 46 1.143 -2.983 3.273 372 HB2 LEU 46 HB2 LEU 46 3.537 -1.629 4.485 373 HB3 LEU 46 HB3 LEU 46 3.556 -3.224 3.762 374 HG LEU 46 HG LEU 46 3.096 -0.589 2.375 375 HD11 LEU 46 HD11 LEU 46 5.103 -1.250 1.142 376 HD12 LEU 46 HD12 LEU 46 5.221 -2.706 2.131 377 HD13 LEU 46 HD13 LEU 46 5.397 -1.115 2.873 378 HD21 LEU 46 HD21 LEU 46 1.576 -2.246 1.411 379 HD22 LEU 46 HD22 LEU 46 2.924 -3.362 1.192 380 HD23 LEU 46 HD23 LEU 46 2.878 -1.846 0.290 381 H ALA 47 H ALA 47 1.350 -1.609 6.495 382 HA ALA 47 HA ALA 47 1.851 -3.993 7.923 383 HB1 ALA 47 HB1 ALA 47 1.979 -1.775 8.948 384 HB2 ALA 47 HB2 ALA 47 0.906 -2.848 9.848 385 HB3 ALA 47 HB3 ALA 47 0.231 -1.606 8.794 386 H LYS 48 H LYS 48 -1.033 -2.753 6.417 387 HA LYS 48 HA LYS 48 -2.817 -4.613 7.716 388 HB2 LYS 48 HB2 LYS 48 -3.575 -2.357 7.075 389 HB3 LYS 48 HB3 LYS 48 -3.259 -2.717 5.394 390 HG2 LYS 48 HG2 LYS 48 -5.099 -4.557 6.749 391 HG3 LYS 48 HG3 LYS 48 -5.670 -2.899 6.563 392 HD2 LYS 48 HD2 LYS 48 -5.227 -3.043 4.141 393 HD3 LYS 48 HD3 LYS 48 -4.704 -4.719 4.351 394 HE2 LYS 48 HE2 LYS 48 -6.922 -5.299 5.196 395 HE3 LYS 48 HE3 LYS 48 -7.442 -3.627 4.989 396 HZ1 LYS 48 HZ1 LYS 48 -7.090 -3.839 2.619 397 HZ2 LYS 48 HZ2 LYS 48 -8.150 -5.043 3.155 398 HZ3 LYS 48 HZ3 LYS 48 -6.545 -5.430 2.807 399 H ILE 49 H ILE 49 -0.969 -4.428 4.707 400 HA ILE 49 HA ILE 49 -2.445 -6.663 3.555 401 HB ILE 49 HB ILE 49 -0.092 -5.286 2.241 402 HG12 ILE 49 HG12 ILE 49 -2.995 -4.487 1.935 403 HG13 ILE 49 HG13 ILE 49 -1.853 -3.614 2.955 404 HG21 ILE 49 HG21 ILE 49 -1.231 -5.975 0.172 405 HG22 ILE 49 HG22 ILE 49 -2.514 -6.717 1.129 406 HG23 ILE 49 HG23 ILE 49 -0.873 -7.360 1.203 407 HD11 ILE 49 HD11 ILE 49 -1.571 -4.033 -0.010 408 HD12 ILE 49 HD12 ILE 49 -0.491 -3.100 1.025 409 HD13 ILE 49 HD13 ILE 49 -2.150 -2.560 0.768 410 H ALA 50 H ALA 50 0.358 -6.213 5.452 411 HA ALA 50 HA ALA 50 2.013 -8.268 4.611 412 HB1 ALA 50 HB1 ALA 50 3.051 -8.208 6.766 413 HB2 ALA 50 HB2 ALA 50 1.650 -7.396 7.464 414 HB3 ALA 50 HB3 ALA 50 2.640 -6.566 6.264 415 HA PRO 51 HA PRO 51 -0.355 -11.577 7.173 416 HB2 PRO 51 HB2 PRO 51 -2.997 -10.515 7.808 417 HB3 PRO 51 HB3 PRO 51 -1.813 -11.274 8.875 418 HG2 PRO 51 HG2 PRO 51 -2.416 -8.656 9.020 419 HG3 PRO 51 HG3 PRO 51 -0.795 -9.281 9.380 420 HD2 PRO 51 HD2 PRO 51 -1.814 -7.982 6.878 421 HD3 PRO 51 HD3 PRO 51 -0.291 -7.707 7.752 422 H LEU 52 H LEU 52 -1.548 -9.597 4.700 423 HA LEU 52 HA LEU 52 -3.614 -11.457 3.799 424 HB2 LEU 52 HB2 LEU 52 -2.616 -8.942 2.456 425 HB3 LEU 52 HB3 LEU 52 -4.042 -9.854 2.024 426 HG LEU 52 HG LEU 52 -3.673 -8.227 4.545 427 HD11 LEU 52 HD11 LEU 52 -5.362 -6.775 3.540 428 HD12 LEU 52 HD12 LEU 52 -5.368 -7.783 2.092 429 HD13 LEU 52 HD13 LEU 52 -3.919 -6.880 2.532 430 HD21 LEU 52 HD21 LEU 52 -6.017 -8.665 4.973 431 HD22 LEU 52 HD22 LEU 52 -5.125 -10.186 4.896 432 HD23 LEU 52 HD23 LEU 52 -6.114 -9.670 3.526 433 H THR 53 H THR 53 -3.478 -12.414 1.676 434 HA THR 53 HA THR 53 -0.743 -12.491 0.577 435 HB THR 53 HB THR 53 -1.619 -14.687 1.423 436 HG1 THR 53 HG1 THR 53 -0.518 -15.694 -0.093 437 HG21 THR 53 HG21 THR 53 -3.531 -14.506 -0.903 438 HG22 THR 53 HG22 THR 53 -3.961 -14.495 0.807 439 HG23 THR 53 HG23 THR 53 -3.249 -15.941 0.087 440 H GLU 54 H GLU 54 -1.371 -13.492 -1.982 441 HA GLU 54 HA GLU 54 -1.968 -11.086 -3.341 442 HB2 GLU 54 HB2 GLU 54 -0.905 -13.643 -3.967 443 HB3 GLU 54 HB3 GLU 54 -2.228 -13.332 -5.080 444 HG2 GLU 54 HG2 GLU 54 -0.223 -12.578 -6.086 445 HG3 GLU 54 HG3 GLU 54 -1.176 -11.165 -5.652 446 H ASN 55 H ASN 55 -3.897 -13.856 -2.464 447 HA ASN 55 HA ASN 55 -6.135 -13.439 -4.128 448 HB2 ASN 55 HB2 ASN 55 -5.475 -15.467 -2.638 449 HB3 ASN 55 HB3 ASN 55 -6.278 -14.600 -1.343 450 HD21 ASN 55 HD21 ASN 55 -8.399 -13.566 -3.178 451 HD22 ASN 55 HD22 ASN 55 -9.419 -14.926 -3.487 452 H GLU 56 H GLU 56 -5.410 -12.353 -0.803 453 HA GLU 56 HA GLU 56 -7.860 -10.994 -0.427 454 HB2 GLU 56 HB2 GLU 56 -5.245 -10.890 1.025 455 HB3 GLU 56 HB3 GLU 56 -6.563 -9.811 1.447 456 HG2 GLU 56 HG2 GLU 56 -6.800 -11.549 2.940 457 HG3 GLU 56 HG3 GLU 56 -7.964 -11.944 1.679 458 H TYR 57 H TYR 57 -4.811 -9.947 -1.813 459 HA TYR 57 HA TYR 57 -5.498 -7.179 -1.777 460 HB2 TYR 57 HB2 TYR 57 -3.142 -7.928 -2.022 461 HB3 TYR 57 HB3 TYR 57 -3.529 -8.598 -3.606 462 HD1 TYR 57 HD1 TYR 57 -3.331 -5.430 -1.678 463 HD2 TYR 57 HD2 TYR 57 -3.552 -7.211 -5.536 464 HE1 TYR 57 HE1 TYR 57 -2.930 -3.237 -2.713 465 HE2 TYR 57 HE2 TYR 57 -3.148 -5.024 -6.576 466 HH TYR 57 HH TYR 57 -3.489 -2.630 -5.964 467 H ALA 58 H ALA 58 -5.964 -9.837 -4.059 468 HA ALA 58 HA ALA 58 -7.044 -8.219 -6.164 469 HB1 ALA 58 HB1 ALA 58 -7.205 -11.198 -5.761 470 HB2 ALA 58 HB2 ALA 58 -5.914 -10.338 -6.601 471 HB3 ALA 58 HB3 ALA 58 -7.553 -10.324 -7.254 472 H GLU 59 H GLU 59 -8.381 -9.563 -3.284 473 HA GLU 59 HA GLU 59 -11.130 -9.532 -3.898 474 HB2 GLU 59 HB2 GLU 59 -9.745 -8.762 -1.320 475 HB3 GLU 59 HB3 GLU 59 -11.465 -9.069 -1.481 476 HG2 GLU 59 HG2 GLU 59 -9.372 -11.128 -2.098 477 HG3 GLU 59 HG3 GLU 59 -10.070 -10.914 -0.497 478 H LEU 60 H LEU 60 -8.826 -6.986 -3.223 479 HA LEU 60 HA LEU 60 -10.872 -4.923 -3.178 480 HB2 LEU 60 HB2 LEU 60 -7.884 -4.523 -3.134 481 HB3 LEU 60 HB3 LEU 60 -9.123 -3.385 -2.647 482 HG LEU 60 HG LEU 60 -8.321 -5.906 -1.184 483 HD11 LEU 60 HD11 LEU 60 -8.074 -2.994 -0.475 484 HD12 LEU 60 HD12 LEU 60 -6.755 -4.064 -0.956 485 HD13 LEU 60 HD13 LEU 60 -7.617 -4.349 0.558 486 HD21 LEU 60 HD21 LEU 60 -9.888 -5.218 0.557 487 HD22 LEU 60 HD22 LEU 60 -10.727 -5.560 -0.958 488 HD23 LEU 60 HD23 LEU 60 -10.447 -3.890 -0.460 489 H ALA 61 H ALA 61 -7.859 -5.468 -4.991 490 HA ALA 61 HA ALA 61 -7.154 -4.962 -7.076 491 HB1 ALA 61 HB1 ALA 61 -8.769 -6.744 -7.581 492 HB2 ALA 61 HB2 ALA 61 -8.626 -5.588 -8.906 493 HB3 ALA 61 HB3 ALA 61 -10.020 -5.528 -7.827 494 H ILE 62 H ILE 62 -7.483 -2.706 -5.698 495 HA ILE 62 HA ILE 62 -7.691 -0.468 -5.732 496 HB ILE 62 HB ILE 62 -8.222 -0.692 -8.704 497 HG12 ILE 62 HG12 ILE 62 -6.072 -1.686 -8.226 498 HG13 ILE 62 HG13 ILE 62 -5.807 -0.111 -8.959 499 HG21 ILE 62 HG21 ILE 62 -7.334 1.676 -7.062 500 HG22 ILE 62 HG22 ILE 62 -8.907 1.468 -7.830 501 HG23 ILE 62 HG23 ILE 62 -7.458 1.639 -8.822 502 HD11 ILE 62 HD11 ILE 62 -5.329 0.826 -6.749 503 HD12 ILE 62 HD12 ILE 62 -4.243 -0.504 -7.150 504 HD13 ILE 62 HD13 ILE 62 -5.578 -0.763 -6.027 505 H PHE 63 H PHE 63 -9.351 -0.095 -4.485 506 HA PHE 63 HA PHE 63 -12.043 -0.833 -5.241 507 HB2 PHE 63 HB2 PHE 63 -10.581 -0.675 -2.854 508 HB3 PHE 63 HB3 PHE 63 -11.812 0.573 -2.726 509 HD1 PHE 63 HD1 PHE 63 -11.340 -3.023 -3.452 510 HD2 PHE 63 HD2 PHE 63 -13.994 0.009 -2.094 511 HE1 PHE 63 HE1 PHE 63 -12.956 -4.748 -2.785 512 HE2 PHE 63 HE2 PHE 63 -15.619 -1.718 -1.424 513 HZ PHE 63 HZ PHE 63 -15.090 -4.099 -1.766 514 H ALA 64 H ALA 64 -10.454 2.139 -4.087 515 HA ALA 64 HA ALA 64 -12.793 3.667 -5.003 516 HB1 ALA 64 HB1 ALA 64 -12.415 5.170 -3.152 517 HB2 ALA 64 HB2 ALA 64 -10.999 4.242 -2.659 518 HB3 ALA 64 HB3 ALA 64 -12.607 3.516 -2.575 519 H ALA 65 H ALA 65 -10.011 5.277 -3.765 520 HA ALA 65 HA ALA 65 -8.300 6.486 -4.537 521 HB1 ALA 65 HB1 ALA 65 -7.739 4.580 -5.975 522 HB2 ALA 65 HB2 ALA 65 -7.284 6.136 -6.668 523 HB3 ALA 65 HB3 ALA 65 -8.713 5.290 -7.262 524 H ASP 66 H ASP 66 -11.322 6.761 -6.349 525 HA ASP 66 HA ASP 66 -10.494 9.122 -7.763 526 HB2 ASP 66 HB2 ASP 66 -12.698 9.205 -8.703 527 HB3 ASP 66 HB3 ASP 66 -12.184 7.527 -8.672 528 H GLU 67 H GLU 67 -11.774 8.589 -4.659 529 HA GLU 67 HA GLU 67 -13.191 10.963 -4.213 530 HB2 GLU 67 HB2 GLU 67 -11.814 9.004 -2.422 531 HB3 GLU 67 HB3 GLU 67 -12.511 10.470 -1.754 532 HG2 GLU 67 HG2 GLU 67 -14.085 8.778 -1.432 533 HG3 GLU 67 HG3 GLU 67 -14.704 9.736 -2.772 534 H VAL 68 H VAL 68 -9.726 10.276 -3.954 535 HA VAL 68 HA VAL 68 -9.232 12.965 -2.933 536 HB VAL 68 HB VAL 68 -6.830 12.306 -2.874 537 HG11 VAL 68 HG11 VAL 68 -8.712 10.471 -1.410 538 HG12 VAL 68 HG12 VAL 68 -8.203 12.080 -0.895 539 HG13 VAL 68 HG13 VAL 68 -7.026 10.769 -0.982 540 HG21 VAL 68 HG21 VAL 68 -6.812 10.630 -4.631 541 HG22 VAL 68 HG22 VAL 68 -7.864 9.590 -3.671 542 HG23 VAL 68 HG23 VAL 68 -6.228 9.944 -3.113 543 H LEU 69 H LEU 69 -9.754 11.688 -5.903 544 HA LEU 69 HA LEU 69 -7.734 13.254 -7.319 545 HB2 LEU 69 HB2 LEU 69 -9.865 11.391 -8.390 546 HB3 LEU 69 HB3 LEU 69 -8.619 12.165 -9.347 547 HG LEU 69 HG LEU 69 -8.125 10.134 -7.166 548 HD11 LEU 69 HD11 LEU 69 -9.218 9.137 -9.088 549 HD12 LEU 69 HD12 LEU 69 -7.530 8.632 -9.002 550 HD13 LEU 69 HD13 LEU 69 -8.025 9.865 -10.164 551 HD21 LEU 69 HD21 LEU 69 -5.836 10.103 -8.013 552 HD22 LEU 69 HD22 LEU 69 -6.279 11.706 -7.424 553 HD23 LEU 69 HD23 LEU 69 -6.238 11.383 -9.157 554 H GLU 70 H GLU 70 -11.281 12.827 -7.438 555 HA GLU 70 HA GLU 70 -11.664 15.693 -7.702 556 HB2 GLU 70 HB2 GLU 70 -11.284 14.927 -10.029 557 HB3 GLU 70 HB3 GLU 70 -12.632 13.813 -9.861 558 HG2 GLU 70 HG2 GLU 70 -14.153 15.702 -9.542 559 HG3 GLU 70 HG3 GLU 70 -12.792 16.812 -9.694 560 H HIS 71 H HIS 71 -13.323 12.588 -8.151 561 HA HIS 71 HA HIS 71 -15.139 11.615 -7.236 562 HB2 HIS 71 HB2 HIS 71 -13.797 12.122 -5.159 563 HB3 HIS 71 HB3 HIS 71 -14.792 13.553 -4.934 564 HD1 HIS 71 HD1 HIS 71 -15.669 9.883 -5.602 565 HD2 HIS 71 HD2 HIS 71 -16.579 13.009 -3.005 566 HE1 HIS 71 HE1 HIS 71 -17.446 9.007 -4.064 567 HE2 HIS 71 HE2 HIS 71 -18.084 10.953 -2.601 568 H HIS 72 H HIS 72 -15.819 13.252 -9.189 569 HA HIS 72 HA HIS 72 -17.987 14.975 -8.235 570 HB2 HIS 72 HB2 HIS 72 -16.329 15.927 -9.819 571 HB3 HIS 72 HB3 HIS 72 -16.797 14.729 -11.014 572 HD1 HIS 72 HD1 HIS 72 -18.393 15.574 -12.687 573 HD2 HIS 72 HD2 HIS 72 -18.749 17.587 -9.070 574 HE1 HIS 72 HE1 HIS 72 -20.156 17.328 -13.058 575 HE2 HIS 72 HE2 HIS 72 -20.348 18.545 -10.859 576 H HIS 73 H HIS 73 -19.360 13.358 -7.625 577 HA HIS 73 HA HIS 73 -20.985 11.803 -7.702 578 HB2 HIS 73 HB2 HIS 73 -21.906 13.759 -9.118 579 HB3 HIS 73 HB3 HIS 73 -21.631 12.705 -10.500 580 HD1 HIS 73 HD1 HIS 73 -23.610 12.808 -7.268 581 HD2 HIS 73 HD2 HIS 73 -23.635 10.857 -10.934 582 HE1 HIS 73 HE1 HIS 73 -25.745 11.492 -7.318 583 HE2 HIS 73 HE2 HIS 73 -25.720 10.282 -9.525 584 H HIS 74 H HIS 74 -19.391 10.125 -7.683 585 HA HIS 74 HA HIS 74 -18.529 8.984 -10.184 586 HB2 HIS 74 HB2 HIS 74 -17.041 7.623 -8.937 587 HB3 HIS 74 HB3 HIS 74 -17.031 9.202 -8.177 588 HD1 HIS 74 HD1 HIS 74 -19.653 8.622 -6.347 589 HD2 HIS 74 HD2 HIS 74 -16.294 6.218 -6.728 590 HE1 HIS 74 HE1 HIS 74 -19.601 7.204 -4.291 591 HE2 HIS 74 HE2 HIS 74 -17.434 5.928 -4.447 592 H HIS 75 H HIS 75 -18.897 6.897 -10.923 593 HA HIS 75 HA HIS 75 -21.604 5.987 -10.278 594 HB2 HIS 75 HB2 HIS 75 -19.852 5.164 -12.614 595 HB3 HIS 75 HB3 HIS 75 -21.564 4.812 -12.413 596 HD1 HIS 75 HD1 HIS 75 -19.385 7.054 -14.131 597 HD2 HIS 75 HD2 HIS 75 -23.101 7.422 -12.311 598 HE1 HIS 75 HE1 HIS 75 -20.401 9.139 -15.078 599 HE2 HIS 75 HE2 HIS 75 -22.524 9.469 -13.769 600 H HIS 76 H HIS 76 -21.276 4.850 -8.407 601 HA HIS 76 HA HIS 76 -20.837 3.113 -7.024 602 HB2 HIS 76 HB2 HIS 76 -21.981 1.830 -8.828 603 HB3 HIS 76 HB3 HIS 76 -20.420 1.520 -9.572 604 HD1 HIS 76 HD1 HIS 76 -19.083 -0.429 -8.696 605 HD2 HIS 76 HD2 HIS 76 -22.389 0.440 -6.332 606 HE1 HIS 76 HE1 HIS 76 -19.277 -2.340 -7.082 607 HE2 HIS 76 HE2 HIS 76 -21.168 -1.696 -5.546 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -12.351 -8.903 3.447 2 H2 MET 1 H2 MET 1 -13.785 -8.801 2.552 3 H3 MET 1 H3 MET 1 -13.803 -8.511 4.225 4 HA MET 1 HA MET 1 -12.390 -6.869 2.208 5 HB2 MET 1 HB2 MET 1 -14.923 -6.333 3.777 6 HB3 MET 1 HB3 MET 1 -14.080 -5.140 2.802 7 HG2 MET 1 HG2 MET 1 -15.311 -7.683 1.765 8 HG3 MET 1 HG3 MET 1 -16.031 -6.080 1.670 9 HE1 MET 1 HE1 MET 1 -15.237 -4.174 0.058 10 HE2 MET 1 HE2 MET 1 -13.729 -4.223 -0.855 11 HE3 MET 1 HE3 MET 1 -13.692 -4.157 0.907 12 H ILE 2 H ILE 2 -11.890 -4.686 3.229 13 HA ILE 2 HA ILE 2 -11.489 -4.702 6.096 14 HB ILE 2 HB ILE 2 -9.405 -5.737 5.295 15 HG12 ILE 2 HG12 ILE 2 -8.867 -2.892 6.183 16 HG13 ILE 2 HG13 ILE 2 -9.364 -4.189 7.262 17 HG21 ILE 2 HG21 ILE 2 -7.802 -4.502 3.902 18 HG22 ILE 2 HG22 ILE 2 -9.007 -3.238 3.658 19 HG23 ILE 2 HG23 ILE 2 -9.298 -4.865 3.043 20 HD11 ILE 2 HD11 ILE 2 -6.968 -3.783 7.383 21 HD12 ILE 2 HD12 ILE 2 -6.817 -4.111 5.657 22 HD13 ILE 2 HD13 ILE 2 -7.304 -5.397 6.759 23 H ARG 3 H ARG 3 -11.531 -2.626 6.959 24 HA ARG 3 HA ARG 3 -12.319 -0.556 5.092 25 HB2 ARG 3 HB2 ARG 3 -12.727 -1.035 7.949 26 HB3 ARG 3 HB3 ARG 3 -12.403 0.649 7.545 27 HG2 ARG 3 HG2 ARG 3 -14.564 -1.078 6.339 28 HG3 ARG 3 HG3 ARG 3 -14.794 0.193 7.545 29 HD2 ARG 3 HD2 ARG 3 -14.020 1.868 5.991 30 HD3 ARG 3 HD3 ARG 3 -13.611 0.630 4.806 31 HE ARG 3 HE ARG 3 -16.346 1.393 5.605 32 HH11 ARG 3 HH11 ARG 3 -14.140 -0.120 3.333 33 HH12 ARG 3 HH12 ARG 3 -15.310 -0.222 2.055 34 HH21 ARG 3 HH21 ARG 3 -17.884 1.279 3.908 35 HH22 ARG 3 HH22 ARG 3 -17.428 0.612 2.375 36 H LEU 4 H LEU 4 -10.782 0.427 4.116 37 HA LEU 4 HA LEU 4 -8.402 1.280 5.614 38 HB2 LEU 4 HB2 LEU 4 -8.761 0.696 2.678 39 HB3 LEU 4 HB3 LEU 4 -7.305 1.377 3.377 40 HG LEU 4 HG LEU 4 -8.442 -1.317 4.109 41 HD11 LEU 4 HD11 LEU 4 -6.142 -0.596 2.296 42 HD12 LEU 4 HD12 LEU 4 -7.691 -1.272 1.787 43 HD13 LEU 4 HD13 LEU 4 -6.598 -2.226 2.791 44 HD21 LEU 4 HD21 LEU 4 -7.135 -0.248 5.875 45 HD22 LEU 4 HD22 LEU 4 -5.811 0.024 4.739 46 HD23 LEU 4 HD23 LEU 4 -6.265 -1.624 5.191 47 H THR 5 H THR 5 -7.392 3.295 4.808 48 HA THR 5 HA THR 5 -9.393 5.347 4.534 49 HB THR 5 HB THR 5 -6.562 6.106 4.196 50 HG1 THR 5 HG1 THR 5 -7.436 5.019 6.688 51 HG21 THR 5 HG21 THR 5 -8.711 6.909 6.162 52 HG22 THR 5 HG22 THR 5 -8.348 7.723 4.640 53 HG23 THR 5 HG23 THR 5 -7.160 7.720 5.942 54 H ILE 6 H ILE 6 -9.528 6.847 2.767 55 HA ILE 6 HA ILE 6 -9.256 5.817 0.168 56 HB ILE 6 HB ILE 6 -9.373 8.759 0.873 57 HG12 ILE 6 HG12 ILE 6 -11.179 7.564 2.035 58 HG13 ILE 6 HG13 ILE 6 -11.808 8.605 0.766 59 HG21 ILE 6 HG21 ILE 6 -10.517 9.007 -1.283 60 HG22 ILE 6 HG22 ILE 6 -10.277 7.288 -1.600 61 HG23 ILE 6 HG23 ILE 6 -8.884 8.365 -1.469 62 HD11 ILE 6 HD11 ILE 6 -12.997 6.502 0.841 63 HD12 ILE 6 HD12 ILE 6 -11.489 5.616 0.616 64 HD13 ILE 6 HD13 ILE 6 -12.104 6.651 -0.673 65 H GLU 7 H GLU 7 -7.088 7.801 2.093 66 HA GLU 7 HA GLU 7 -5.213 8.439 0.089 67 HB2 GLU 7 HB2 GLU 7 -4.811 8.142 3.070 68 HB3 GLU 7 HB3 GLU 7 -3.656 8.872 1.969 69 HG2 GLU 7 HG2 GLU 7 -4.656 10.726 2.828 70 HG3 GLU 7 HG3 GLU 7 -5.654 10.462 1.403 71 H GLU 8 H GLU 8 -5.486 5.632 2.280 72 HA GLU 8 HA GLU 8 -2.972 4.496 1.558 73 HB2 GLU 8 HB2 GLU 8 -5.435 3.291 2.808 74 HB3 GLU 8 HB3 GLU 8 -3.980 2.367 2.482 75 HG2 GLU 8 HG2 GLU 8 -2.757 4.044 3.908 76 HG3 GLU 8 HG3 GLU 8 -4.346 4.626 4.409 77 H THR 9 H THR 9 -6.272 4.138 0.363 78 HA THR 9 HA THR 9 -5.656 1.977 -1.405 79 HB THR 9 HB THR 9 -8.058 3.792 -1.603 80 HG1 THR 9 HG1 THR 9 -8.131 3.145 0.507 81 HG21 THR 9 HG21 THR 9 -9.161 1.755 -2.377 82 HG22 THR 9 HG22 THR 9 -7.652 0.861 -2.190 83 HG23 THR 9 HG23 THR 9 -7.774 2.145 -3.394 84 H ASN 10 H ASN 10 -5.728 5.483 -1.707 85 HA ASN 10 HA ASN 10 -5.266 5.577 -4.518 86 HB2 ASN 10 HB2 ASN 10 -6.104 7.544 -3.333 87 HB3 ASN 10 HB3 ASN 10 -4.636 7.622 -2.370 88 HD21 ASN 10 HD21 ASN 10 -5.927 7.979 -5.630 89 HD22 ASN 10 HD22 ASN 10 -4.666 9.007 -6.203 90 H LEU 11 H LEU 11 -3.178 5.397 -1.708 91 HA LEU 11 HA LEU 11 -0.670 5.596 -2.996 92 HB2 LEU 11 HB2 LEU 11 -1.060 5.826 -0.571 93 HB3 LEU 11 HB3 LEU 11 -1.471 4.126 -0.482 94 HG LEU 11 HG LEU 11 0.870 3.617 -1.243 95 HD11 LEU 11 HD11 LEU 11 1.392 5.800 -2.211 96 HD12 LEU 11 HD12 LEU 11 2.551 5.343 -0.962 97 HD13 LEU 11 HD13 LEU 11 1.293 6.527 -0.606 98 HD21 LEU 11 HD21 LEU 11 0.153 3.414 1.060 99 HD22 LEU 11 HD22 LEU 11 0.497 5.124 1.329 100 HD23 LEU 11 HD23 LEU 11 1.811 4.005 0.969 101 H LEU 12 H LEU 12 -2.845 2.892 -2.343 102 HA LEU 12 HA LEU 12 -1.292 0.767 -3.324 103 HB2 LEU 12 HB2 LEU 12 -4.289 1.141 -3.391 104 HB3 LEU 12 HB3 LEU 12 -3.468 -0.360 -3.759 105 HG LEU 12 HG LEU 12 -3.389 1.018 -1.076 106 HD11 LEU 12 HD11 LEU 12 -4.890 -0.763 -0.337 107 HD12 LEU 12 HD12 LEU 12 -5.002 -1.359 -1.995 108 HD13 LEU 12 HD13 LEU 12 -5.634 0.237 -1.583 109 HD21 LEU 12 HD21 LEU 12 -2.486 -1.728 -1.926 110 HD22 LEU 12 HD22 LEU 12 -2.468 -1.097 -0.278 111 HD23 LEU 12 HD23 LEU 12 -1.435 -0.375 -1.513 112 H SER 13 H SER 13 -3.415 3.071 -4.964 113 HA SER 13 HA SER 13 -3.296 1.850 -7.527 114 HB2 SER 13 HB2 SER 13 -5.110 3.391 -6.786 115 HB3 SER 13 HB3 SER 13 -3.957 4.726 -6.844 116 HG SER 13 HG SER 13 -3.653 3.868 -9.141 117 H ILE 14 H ILE 14 -1.260 4.239 -5.897 118 HA ILE 14 HA ILE 14 0.089 5.193 -8.198 119 HB ILE 14 HB ILE 14 1.050 5.192 -5.329 120 HG12 ILE 14 HG12 ILE 14 -0.265 7.408 -6.914 121 HG13 ILE 14 HG13 ILE 14 -1.124 6.373 -5.780 122 HG21 ILE 14 HG21 ILE 14 1.995 6.806 -7.710 123 HG22 ILE 14 HG22 ILE 14 2.898 5.527 -6.897 124 HG23 ILE 14 HG23 ILE 14 2.532 7.025 -6.044 125 HD11 ILE 14 HD11 ILE 14 -0.570 8.509 -4.784 126 HD12 ILE 14 HD12 ILE 14 1.141 8.234 -5.107 127 HD13 ILE 14 HD13 ILE 14 0.280 7.198 -3.967 128 H TYR 15 H TYR 15 0.780 2.599 -5.875 129 HA TYR 15 HA TYR 15 3.201 1.935 -7.404 130 HB2 TYR 15 HB2 TYR 15 2.523 1.392 -4.505 131 HB3 TYR 15 HB3 TYR 15 3.979 0.807 -5.311 132 HD1 TYR 15 HD2 TYR 15 5.575 2.547 -6.295 133 HD2 TYR 15 HD1 TYR 15 2.468 3.540 -3.563 134 HE1 TYR 15 HE2 TYR 15 6.692 4.689 -5.814 135 HE2 TYR 15 HE1 TYR 15 3.571 5.684 -3.084 136 HH TYR 15 HH TYR 15 6.111 6.902 -4.996 137 H ASN 16 H ASN 16 0.357 1.021 -7.904 138 HA ASN 16 HA ASN 16 0.461 -1.826 -7.395 139 HB2 ASN 16 HB2 ASN 16 -1.707 -0.522 -7.501 140 HB3 ASN 16 HB3 ASN 16 -1.454 -0.382 -9.237 141 HD21 ASN 16 HD21 ASN 16 -3.300 -1.524 -9.727 142 HD22 ASN 16 HD22 ASN 16 -3.445 -3.231 -9.478 143 H GLU 17 H GLU 17 1.754 -3.062 -8.502 144 HA GLU 17 HA GLU 17 2.148 -2.517 -11.361 145 HB2 GLU 17 HB2 GLU 17 4.133 -2.527 -9.759 146 HB3 GLU 17 HB3 GLU 17 3.873 -4.257 -9.606 147 HG2 GLU 17 HG2 GLU 17 4.139 -4.440 -12.072 148 HG3 GLU 17 HG3 GLU 17 4.602 -2.737 -12.088 149 H GLY 18 H GLY 18 2.593 -5.495 -9.460 150 HA2 GLY 18 HA2 GLY 18 0.422 -6.714 -11.033 151 HA3 GLY 18 HA3 GLY 18 1.905 -7.572 -10.630 152 H GLY 19 H GLY 19 -0.563 -5.647 -8.944 153 HA2 GLY 19 HA2 GLY 19 -1.987 -6.357 -7.238 154 HA3 GLY 19 HA3 GLY 19 -1.103 -7.872 -7.153 155 H LYS 20 H LYS 20 -0.887 -7.843 -4.934 156 HA LYS 20 HA LYS 20 0.128 -5.531 -3.548 157 HB2 LYS 20 HB2 LYS 20 -0.029 -6.922 -1.533 158 HB3 LYS 20 HB3 LYS 20 -1.505 -6.962 -2.479 159 HG2 LYS 20 HG2 LYS 20 -1.431 -9.164 -2.266 160 HG3 LYS 20 HG3 LYS 20 -0.113 -9.123 -3.435 161 HD2 LYS 20 HD2 LYS 20 0.686 -10.390 -1.612 162 HD3 LYS 20 HD3 LYS 20 1.442 -8.811 -1.457 163 HE2 LYS 20 HE2 LYS 20 -0.106 -8.167 0.248 164 HE3 LYS 20 HE3 LYS 20 -1.060 -9.631 0.005 165 HZ1 LYS 20 HZ1 LYS 20 0.839 -10.938 0.746 166 HZ2 LYS 20 HZ2 LYS 20 0.345 -9.838 1.937 167 HZ3 LYS 20 HZ3 LYS 20 1.728 -9.520 1.013 168 H ARG 21 H ARG 21 1.511 -8.238 -5.079 169 HA ARG 21 HA ARG 21 4.003 -8.269 -3.740 170 HB2 ARG 21 HB2 ARG 21 2.838 -9.723 -5.814 171 HB3 ARG 21 HB3 ARG 21 4.188 -8.886 -6.576 172 HG2 ARG 21 HG2 ARG 21 4.953 -11.015 -5.809 173 HG3 ARG 21 HG3 ARG 21 5.674 -9.766 -4.788 174 HD2 ARG 21 HD2 ARG 21 3.736 -10.168 -3.194 175 HD3 ARG 21 HD3 ARG 21 3.386 -11.612 -4.144 176 HE ARG 21 HE ARG 21 5.976 -11.189 -2.806 177 HH11 ARG 21 HH11 ARG 21 3.250 -13.246 -3.605 178 HH12 ARG 21 HH12 ARG 21 3.857 -14.609 -2.720 179 HH21 ARG 21 HH21 ARG 21 6.778 -12.971 -1.652 180 HH22 ARG 21 HH22 ARG 21 5.868 -14.451 -1.595 181 H GLY 22 H GLY 22 2.864 -6.674 -6.690 182 HA2 GLY 22 HA2 GLY 22 5.063 -5.011 -7.143 183 HA3 GLY 22 HA3 GLY 22 3.417 -4.671 -7.640 184 H LEU 23 H LEU 23 2.292 -4.545 -4.988 185 HA LEU 23 HA LEU 23 2.827 -1.876 -4.275 186 HB2 LEU 23 HB2 LEU 23 1.161 -4.055 -3.260 187 HB3 LEU 23 HB3 LEU 23 1.718 -2.961 -2.010 188 HG LEU 23 HG LEU 23 -0.434 -2.225 -2.740 189 HD11 LEU 23 HD11 LEU 23 1.149 -0.455 -2.233 190 HD12 LEU 23 HD12 LEU 23 0.056 0.048 -3.523 191 HD13 LEU 23 HD13 LEU 23 1.706 -0.448 -3.906 192 HD21 LEU 23 HD21 LEU 23 0.700 -2.191 -5.529 193 HD22 LEU 23 HD22 LEU 23 -0.893 -1.591 -5.060 194 HD23 LEU 23 HD23 LEU 23 -0.513 -3.307 -4.904 195 H MET 24 H MET 24 3.861 -4.917 -2.752 196 HA MET 24 HA MET 24 5.213 -3.669 -0.599 197 HB2 MET 24 HB2 MET 24 5.271 -6.444 -1.732 198 HB3 MET 24 HB3 MET 24 6.370 -5.968 -0.445 199 HG2 MET 24 HG2 MET 24 4.465 -5.362 0.954 200 HG3 MET 24 HG3 MET 24 3.370 -5.843 -0.341 201 HE1 MET 24 HE1 MET 24 3.568 -6.841 2.809 202 HE2 MET 24 HE2 MET 24 3.081 -8.523 2.596 203 HE3 MET 24 HE3 MET 24 2.233 -7.242 1.727 204 H GLU 25 H GLU 25 6.342 -4.884 -3.741 205 HA GLU 25 HA GLU 25 9.079 -4.421 -3.192 206 HB2 GLU 25 HB2 GLU 25 7.661 -4.696 -5.838 207 HB3 GLU 25 HB3 GLU 25 9.403 -4.715 -5.623 208 HG2 GLU 25 HG2 GLU 25 7.427 -6.726 -4.572 209 HG3 GLU 25 HG3 GLU 25 8.588 -6.960 -5.877 210 H ASN 26 H ASN 26 6.621 -2.453 -4.866 211 HA ASN 26 HA ASN 26 8.532 -0.500 -5.718 212 HB2 ASN 26 HB2 ASN 26 5.523 -0.504 -5.756 213 HB3 ASN 26 HB3 ASN 26 6.480 0.863 -6.318 214 HD21 ASN 26 HD21 ASN 26 4.651 -0.791 -7.805 215 HD22 ASN 26 HD22 ASN 26 5.563 -1.509 -9.090 216 H ILE 27 H ILE 27 6.398 -0.770 -2.929 217 HA ILE 27 HA ILE 27 6.845 1.922 -2.085 218 HB ILE 27 HB ILE 27 5.672 -0.476 -0.700 219 HG12 ILE 27 HG12 ILE 27 4.567 2.256 -1.405 220 HG13 ILE 27 HG13 ILE 27 4.341 0.800 -2.363 221 HG21 ILE 27 HG21 ILE 27 6.921 0.691 1.035 222 HG22 ILE 27 HG22 ILE 27 5.187 0.919 1.261 223 HG23 ILE 27 HG23 ILE 27 6.165 2.216 0.573 224 HD11 ILE 27 HD11 ILE 27 3.078 -0.208 -0.531 225 HD12 ILE 27 HD12 ILE 27 2.366 1.322 -1.044 226 HD13 ILE 27 HD13 ILE 27 3.321 1.247 0.438 227 H ASN 28 H ASN 28 8.347 -1.214 -1.167 228 HA ASN 28 HA ASN 28 10.074 -0.043 0.773 229 HB2 ASN 28 HB2 ASN 28 10.031 -2.714 -0.567 230 HB3 ASN 28 HB3 ASN 28 11.454 -2.227 0.347 231 HD21 ASN 28 HD21 ASN 28 8.286 -3.443 0.480 232 HD22 ASN 28 HD22 ASN 28 8.148 -3.528 2.204 233 H ALA 29 H ALA 29 10.330 -0.375 -2.678 234 HA ALA 29 HA ALA 29 13.160 0.192 -2.755 235 HB1 ALA 29 HB1 ALA 29 11.125 0.256 -4.979 236 HB2 ALA 29 HB2 ALA 29 12.095 -1.142 -4.513 237 HB3 ALA 29 HB3 ALA 29 12.877 0.298 -5.169 238 H ALA 30 H ALA 30 10.215 2.045 -2.701 239 HA ALA 30 HA ALA 30 11.662 4.436 -3.563 240 HB1 ALA 30 HB1 ALA 30 9.603 3.922 -4.779 241 HB2 ALA 30 HB2 ALA 30 9.515 5.473 -3.943 242 HB3 ALA 30 HB3 ALA 30 8.692 4.063 -3.275 243 H LEU 31 H LEU 31 11.148 2.979 -0.696 244 HA LEU 31 HA LEU 31 10.181 5.011 0.961 245 HB2 LEU 31 HB2 LEU 31 12.022 2.725 1.537 246 HB3 LEU 31 HB3 LEU 31 11.550 3.861 2.783 247 HG LEU 31 HG LEU 31 9.662 2.110 1.199 248 HD11 LEU 31 HD11 LEU 31 10.590 1.961 4.056 249 HD12 LEU 31 HD12 LEU 31 11.021 0.844 2.762 250 HD13 LEU 31 HD13 LEU 31 9.352 0.942 3.324 251 HD21 LEU 31 HD21 LEU 31 9.135 3.968 3.520 252 HD22 LEU 31 HD22 LEU 31 7.961 2.876 2.784 253 HD23 LEU 31 HD23 LEU 31 8.619 4.221 1.851 254 HA PRO 32 HA PRO 32 14.769 6.869 1.235 255 HB2 PRO 32 HB2 PRO 32 15.860 6.847 -1.312 256 HB3 PRO 32 HB3 PRO 32 16.388 5.826 0.029 257 HG2 PRO 32 HG2 PRO 32 14.512 5.196 -2.214 258 HG3 PRO 32 HG3 PRO 32 15.808 4.200 -1.517 259 HD2 PRO 32 HD2 PRO 32 13.286 3.729 -0.874 260 HD3 PRO 32 HD3 PRO 32 14.550 3.678 0.377 261 H PHE 33 H PHE 33 12.448 6.818 -1.346 262 HA PHE 33 HA PHE 33 12.741 9.694 -1.886 263 HB2 PHE 33 HB2 PHE 33 11.212 7.588 -3.463 264 HB3 PHE 33 HB3 PHE 33 11.517 9.245 -3.962 265 HD1 PHE 33 HD2 PHE 33 13.981 9.921 -4.296 266 HD2 PHE 33 HD1 PHE 33 12.635 5.887 -4.118 267 HE1 PHE 33 HE2 PHE 33 16.013 9.194 -5.472 268 HE2 PHE 33 HE1 PHE 33 14.665 5.155 -5.293 269 HZ PHE 33 HZ PHE 33 16.356 6.808 -5.971 270 H MET 34 H MET 34 9.931 9.475 -3.051 271 HA MET 34 HA MET 34 7.722 9.520 -2.626 272 HB2 MET 34 HB2 MET 34 8.432 8.199 -0.000 273 HB3 MET 34 HB3 MET 34 6.784 8.547 -0.505 274 HG2 MET 34 HG2 MET 34 6.978 7.071 -2.373 275 HG3 MET 34 HG3 MET 34 8.698 6.845 -2.073 276 HE1 MET 34 HE1 MET 34 5.187 5.601 -1.479 277 HE2 MET 34 HE2 MET 34 5.301 6.618 -0.041 278 HE3 MET 34 HE3 MET 34 5.216 4.864 0.123 279 H ASP 35 H ASP 35 6.103 10.722 -1.565 280 HA ASP 35 HA ASP 35 6.878 13.128 -0.227 281 HB2 ASP 35 HB2 ASP 35 4.162 11.780 -0.351 282 HB3 ASP 35 HB3 ASP 35 4.460 13.456 0.089 283 H GLU 36 H GLU 36 6.616 13.606 2.060 284 HA GLU 36 HA GLU 36 7.164 11.405 3.748 285 HB2 GLU 36 HB2 GLU 36 7.065 12.995 5.617 286 HB3 GLU 36 HB3 GLU 36 8.071 13.570 4.300 287 HG2 GLU 36 HG2 GLU 36 5.258 14.470 4.282 288 HG3 GLU 36 HG3 GLU 36 6.274 15.078 5.585 289 H ASP 37 H ASP 37 4.191 13.040 2.953 290 HA ASP 37 HA ASP 37 2.519 11.879 4.928 291 HB2 ASP 37 HB2 ASP 37 2.001 13.062 2.220 292 HB3 ASP 37 HB3 ASP 37 0.724 12.190 3.060 293 H MET 38 H MET 38 3.435 10.889 1.670 294 HA MET 38 HA MET 38 1.750 8.573 1.655 295 HB2 MET 38 HB2 MET 38 3.954 9.499 -0.185 296 HB3 MET 38 HB3 MET 38 3.082 7.992 -0.430 297 HG2 MET 38 HG2 MET 38 1.927 10.769 -0.457 298 HG3 MET 38 HG3 MET 38 2.165 9.705 -1.842 299 HE1 MET 38 HE1 MET 38 -0.509 10.803 -1.925 300 HE2 MET 38 HE2 MET 38 -1.648 9.460 -1.851 301 HE3 MET 38 HE3 MET 38 -0.196 9.327 -2.847 302 H ARG 39 H ARG 39 5.036 9.185 2.616 303 HA ARG 39 HA ARG 39 6.044 6.522 2.292 304 HB2 ARG 39 HB2 ARG 39 7.329 8.766 2.345 305 HB3 ARG 39 HB3 ARG 39 7.234 8.613 4.088 306 HG2 ARG 39 HG2 ARG 39 8.333 6.360 3.830 307 HG3 ARG 39 HG3 ARG 39 8.641 6.808 2.151 308 HD2 ARG 39 HD2 ARG 39 10.591 7.358 3.397 309 HD3 ARG 39 HD3 ARG 39 9.771 8.870 3.007 310 HE ARG 39 HE ARG 39 8.794 8.218 5.460 311 HH11 ARG 39 HH11 ARG 39 12.034 8.646 4.195 312 HH12 ARG 39 HH12 ARG 39 12.705 9.111 5.726 313 HH21 ARG 39 HH21 ARG 39 9.666 8.828 7.457 314 HH22 ARG 39 HH22 ARG 39 11.356 9.217 7.590 315 H GLU 40 H GLU 40 5.180 8.475 5.154 316 HA GLU 40 HA GLU 40 5.464 6.305 6.971 317 HB2 GLU 40 HB2 GLU 40 4.013 8.930 7.317 318 HB3 GLU 40 HB3 GLU 40 4.428 7.816 8.612 319 HG2 GLU 40 HG2 GLU 40 6.343 9.337 6.855 320 HG3 GLU 40 HG3 GLU 40 6.007 9.640 8.558 321 H LEU 41 H LEU 41 2.793 7.544 5.105 322 HA LEU 41 HA LEU 41 0.683 6.028 6.211 323 HB2 LEU 41 HB2 LEU 41 0.494 7.912 4.581 324 HB3 LEU 41 HB3 LEU 41 1.123 6.852 3.342 325 HG LEU 41 HG LEU 41 -0.871 5.380 3.701 326 HD11 LEU 41 HD11 LEU 41 -1.856 7.744 5.297 327 HD12 LEU 41 HD12 LEU 41 -1.496 6.140 5.937 328 HD13 LEU 41 HD13 LEU 41 -2.823 6.356 4.797 329 HD21 LEU 41 HD21 LEU 41 -0.705 6.907 1.834 330 HD22 LEU 41 HD22 LEU 41 -1.333 8.222 2.827 331 HD23 LEU 41 HD23 LEU 41 -2.363 6.846 2.433 332 H ALA 42 H ALA 42 3.123 5.340 3.773 333 HA ALA 42 HA ALA 42 2.160 2.856 2.840 334 HB1 ALA 42 HB1 ALA 42 4.981 3.898 2.811 335 HB2 ALA 42 HB2 ALA 42 3.745 4.253 1.605 336 HB3 ALA 42 HB3 ALA 42 4.330 2.602 1.811 337 H LYS 43 H LYS 43 4.202 3.731 5.528 338 HA LYS 43 HA LYS 43 5.208 1.231 6.279 339 HB2 LYS 43 HB2 LYS 43 5.698 3.575 7.230 340 HB3 LYS 43 HB3 LYS 43 4.272 3.334 8.227 341 HG2 LYS 43 HG2 LYS 43 5.321 1.300 9.166 342 HG3 LYS 43 HG3 LYS 43 6.773 1.657 8.229 343 HD2 LYS 43 HD2 LYS 43 5.560 3.398 10.383 344 HD3 LYS 43 HD3 LYS 43 7.019 2.424 10.523 345 HE2 LYS 43 HE2 LYS 43 6.645 4.752 8.638 346 HE3 LYS 43 HE3 LYS 43 7.515 4.808 10.171 347 HZ1 LYS 43 HZ1 LYS 43 9.042 3.131 9.285 348 HZ2 LYS 43 HZ2 LYS 43 9.052 4.549 8.363 349 HZ3 LYS 43 HZ3 LYS 43 8.235 3.180 7.797 350 H ARG 44 H ARG 44 2.102 2.793 6.984 351 HA ARG 44 HA ARG 44 1.087 0.580 8.521 352 HB2 ARG 44 HB2 ARG 44 0.380 3.007 8.778 353 HB3 ARG 44 HB3 ARG 44 -0.522 2.815 7.279 354 HG2 ARG 44 HG2 ARG 44 -1.650 0.829 8.431 355 HG3 ARG 44 HG3 ARG 44 -0.982 1.486 9.926 356 HD2 ARG 44 HD2 ARG 44 -2.095 3.644 9.388 357 HD3 ARG 44 HD3 ARG 44 -2.865 2.850 8.013 358 HE ARG 44 HE ARG 44 -3.259 1.909 10.780 359 HH11 ARG 44 HH11 ARG 44 -4.591 2.847 7.663 360 HH12 ARG 44 HH12 ARG 44 -6.223 2.487 8.127 361 HH21 ARG 44 HH21 ARG 44 -5.412 1.449 11.360 362 HH22 ARG 44 HH22 ARG 44 -6.682 1.687 10.204 363 H THR 45 H THR 45 1.024 1.576 5.157 364 HA THR 45 HA THR 45 -1.203 -0.000 4.355 365 HB THR 45 HB THR 45 1.025 1.199 2.678 366 HG1 THR 45 HG1 THR 45 -0.765 2.417 4.104 367 HG21 THR 45 HG21 THR 45 -0.269 -0.535 1.469 368 HG22 THR 45 HG22 THR 45 -0.540 1.085 0.822 369 HG23 THR 45 HG23 THR 45 -1.756 0.337 1.865 370 H LEU 46 H LEU 46 2.321 -0.544 4.334 371 HA LEU 46 HA LEU 46 2.137 -3.167 3.220 372 HB2 LEU 46 HB2 LEU 46 4.296 -1.953 4.932 373 HB3 LEU 46 HB3 LEU 46 4.425 -3.476 4.076 374 HG LEU 46 HG LEU 46 4.147 -0.747 2.825 375 HD11 LEU 46 HD11 LEU 46 6.427 -1.198 2.071 376 HD12 LEU 46 HD12 LEU 46 6.416 -2.711 2.981 377 HD13 LEU 46 HD13 LEU 46 6.303 -1.169 3.830 378 HD21 LEU 46 HD21 LEU 46 4.500 -3.444 1.508 379 HD22 LEU 46 HD22 LEU 46 4.486 -1.881 0.693 380 HD23 LEU 46 HD23 LEU 46 3.026 -2.477 1.481 381 H ALA 47 H ALA 47 1.954 -1.860 6.453 382 HA ALA 47 HA ALA 47 2.295 -4.278 7.875 383 HB1 ALA 47 HB1 ALA 47 1.398 -3.073 9.783 384 HB2 ALA 47 HB2 ALA 47 0.841 -1.781 8.717 385 HB3 ALA 47 HB3 ALA 47 2.567 -2.082 8.910 386 H LYS 48 H LYS 48 -0.526 -2.782 6.372 387 HA LYS 48 HA LYS 48 -2.300 -4.646 7.693 388 HB2 LYS 48 HB2 LYS 48 -4.128 -3.487 6.473 389 HB3 LYS 48 HB3 LYS 48 -3.183 -2.447 7.519 390 HG2 LYS 48 HG2 LYS 48 -3.343 -1.086 5.727 391 HG3 LYS 48 HG3 LYS 48 -1.902 -1.973 5.237 392 HD2 LYS 48 HD2 LYS 48 -3.334 -3.492 3.924 393 HD3 LYS 48 HD3 LYS 48 -4.736 -2.514 4.363 394 HE2 LYS 48 HE2 LYS 48 -2.323 -1.619 2.792 395 HE3 LYS 48 HE3 LYS 48 -3.944 -1.891 2.160 396 HZ1 LYS 48 HZ1 LYS 48 -3.486 0.461 2.505 397 HZ2 LYS 48 HZ2 LYS 48 -3.189 0.195 4.149 398 HZ3 LYS 48 HZ3 LYS 48 -4.739 -0.050 3.518 399 H ILE 49 H ILE 49 -0.619 -4.519 4.643 400 HA ILE 49 HA ILE 49 -2.388 -6.602 3.590 401 HB ILE 49 HB ILE 49 -1.032 -6.553 1.508 402 HG12 ILE 49 HG12 ILE 49 0.252 -4.096 2.717 403 HG13 ILE 49 HG13 ILE 49 1.051 -5.648 2.506 404 HG21 ILE 49 HG21 ILE 49 -3.111 -5.351 1.634 405 HG22 ILE 49 HG22 ILE 49 -1.947 -4.432 0.679 406 HG23 ILE 49 HG23 ILE 49 -2.297 -3.953 2.340 407 HD11 ILE 49 HD11 ILE 49 1.702 -4.090 0.768 408 HD12 ILE 49 HD12 ILE 49 0.015 -3.870 0.307 409 HD13 ILE 49 HD13 ILE 49 0.795 -5.434 0.076 410 H ALA 50 H ALA 50 0.581 -6.384 5.271 411 HA ALA 50 HA ALA 50 1.796 -8.759 4.456 412 HB1 ALA 50 HB1 ALA 50 1.865 -7.582 7.226 413 HB2 ALA 50 HB2 ALA 50 2.864 -7.064 5.868 414 HB3 ALA 50 HB3 ALA 50 3.035 -8.696 6.516 415 HA PRO 51 HA PRO 51 -0.926 -11.342 7.543 416 HB2 PRO 51 HB2 PRO 51 -3.294 -10.283 8.351 417 HB3 PRO 51 HB3 PRO 51 -1.807 -10.179 9.301 418 HG2 PRO 51 HG2 PRO 51 -3.050 -8.143 7.497 419 HG3 PRO 51 HG3 PRO 51 -2.343 -7.931 9.111 420 HD2 PRO 51 HD2 PRO 51 -0.994 -7.304 6.873 421 HD3 PRO 51 HD3 PRO 51 -0.188 -7.955 8.312 422 H LEU 52 H LEU 52 -1.957 -9.372 4.950 423 HA LEU 52 HA LEU 52 -4.194 -11.097 4.237 424 HB2 LEU 52 HB2 LEU 52 -3.051 -8.691 2.813 425 HB3 LEU 52 HB3 LEU 52 -4.490 -9.562 2.330 426 HG LEU 52 HG LEU 52 -4.152 -7.943 4.855 427 HD11 LEU 52 HD11 LEU 52 -4.336 -6.585 2.839 428 HD12 LEU 52 HD12 LEU 52 -5.785 -6.449 3.834 429 HD13 LEU 52 HD13 LEU 52 -5.805 -7.449 2.381 430 HD21 LEU 52 HD21 LEU 52 -6.576 -9.408 3.807 431 HD22 LEU 52 HD22 LEU 52 -6.533 -8.349 5.219 432 HD23 LEU 52 HD23 LEU 52 -5.623 -9.860 5.223 433 H THR 53 H THR 53 -4.247 -12.207 2.236 434 HA THR 53 HA THR 53 -1.631 -12.967 1.189 435 HB THR 53 HB THR 53 -2.872 -14.645 -0.148 436 HG1 THR 53 HG1 THR 53 -5.143 -14.911 0.379 437 HG21 THR 53 HG21 THR 53 -3.639 -16.050 1.716 438 HG22 THR 53 HG22 THR 53 -3.591 -14.648 2.787 439 HG23 THR 53 HG23 THR 53 -2.101 -15.267 2.076 440 H GLU 54 H GLU 54 -1.847 -13.388 -1.373 441 HA GLU 54 HA GLU 54 -2.240 -10.788 -2.540 442 HB2 GLU 54 HB2 GLU 54 -1.654 -12.272 -4.704 443 HB3 GLU 54 HB3 GLU 54 -0.435 -11.634 -3.617 444 HG2 GLU 54 HG2 GLU 54 0.108 -13.892 -4.131 445 HG3 GLU 54 HG3 GLU 54 -0.398 -13.819 -2.447 446 H ASN 55 H ASN 55 -4.030 -13.745 -2.331 447 HA ASN 55 HA ASN 55 -5.984 -13.070 -4.313 448 HB2 ASN 55 HB2 ASN 55 -5.703 -15.180 -2.243 449 HB3 ASN 55 HB3 ASN 55 -7.325 -14.830 -2.829 450 HD21 ASN 55 HD21 ASN 55 -4.432 -14.567 -4.809 451 HD22 ASN 55 HD22 ASN 55 -4.806 -15.899 -5.844 452 H GLU 56 H GLU 56 -5.691 -12.545 -0.823 453 HA GLU 56 HA GLU 56 -8.248 -11.437 -0.394 454 HB2 GLU 56 HB2 GLU 56 -5.599 -11.013 0.978 455 HB3 GLU 56 HB3 GLU 56 -7.040 -10.137 1.471 456 HG2 GLU 56 HG2 GLU 56 -6.830 -13.130 1.380 457 HG3 GLU 56 HG3 GLU 56 -6.541 -12.154 2.819 458 H TYR 57 H TYR 57 -5.161 -9.914 -1.257 459 HA TYR 57 HA TYR 57 -6.228 -7.301 -1.464 460 HB2 TYR 57 HB2 TYR 57 -3.839 -7.662 -1.046 461 HB3 TYR 57 HB3 TYR 57 -3.656 -8.388 -2.642 462 HD1 TYR 57 HD1 TYR 57 -4.591 -5.218 -0.929 463 HD2 TYR 57 HD2 TYR 57 -3.236 -7.027 -4.535 464 HE1 TYR 57 HE1 TYR 57 -4.283 -2.998 -1.932 465 HE2 TYR 57 HE2 TYR 57 -2.914 -4.812 -5.537 466 HH TYR 57 HH TYR 57 -3.701 -2.579 -5.293 467 H ALA 58 H ALA 58 -6.164 -9.975 -3.737 468 HA ALA 58 HA ALA 58 -6.393 -8.550 -6.143 469 HB1 ALA 58 HB1 ALA 58 -7.668 -11.193 -5.461 470 HB2 ALA 58 HB2 ALA 58 -6.018 -10.969 -6.040 471 HB3 ALA 58 HB3 ALA 58 -7.383 -10.558 -7.081 472 H GLU 59 H GLU 59 -8.832 -9.413 -3.757 473 HA GLU 59 HA GLU 59 -10.994 -8.216 -5.246 474 HB2 GLU 59 HB2 GLU 59 -10.971 -9.086 -2.353 475 HB3 GLU 59 HB3 GLU 59 -12.382 -8.781 -3.355 476 HG2 GLU 59 HG2 GLU 59 -10.403 -11.031 -3.626 477 HG3 GLU 59 HG3 GLU 59 -12.090 -11.143 -3.127 478 H LEU 60 H LEU 60 -8.643 -7.157 -2.958 479 HA LEU 60 HA LEU 60 -10.164 -4.760 -2.188 480 HB2 LEU 60 HB2 LEU 60 -7.607 -5.956 -1.120 481 HB3 LEU 60 HB3 LEU 60 -8.353 -4.493 -0.508 482 HG LEU 60 HG LEU 60 -9.763 -7.152 -0.495 483 HD11 LEU 60 HD11 LEU 60 -7.691 -7.333 0.773 484 HD12 LEU 60 HD12 LEU 60 -9.099 -7.342 1.839 485 HD13 LEU 60 HD13 LEU 60 -8.117 -5.884 1.685 486 HD21 LEU 60 HD21 LEU 60 -11.124 -6.072 1.222 487 HD22 LEU 60 HD22 LEU 60 -11.175 -5.172 -0.294 488 HD23 LEU 60 HD23 LEU 60 -10.182 -4.594 1.043 489 H ALA 61 H ALA 61 -8.541 -5.340 -4.760 490 HA ALA 61 HA ALA 61 -6.377 -3.445 -4.617 491 HB1 ALA 61 HB1 ALA 61 -6.116 -5.475 -5.948 492 HB2 ALA 61 HB2 ALA 61 -5.946 -4.032 -6.947 493 HB3 ALA 61 HB3 ALA 61 -7.441 -4.966 -6.996 494 H ILE 62 H ILE 62 -7.124 -1.487 -4.293 495 HA ILE 62 HA ILE 62 -7.992 0.544 -4.609 496 HB ILE 62 HB ILE 62 -7.868 -0.193 -7.552 497 HG12 ILE 62 HG12 ILE 62 -5.844 1.528 -7.238 498 HG13 ILE 62 HG13 ILE 62 -5.894 0.906 -5.596 499 HG21 ILE 62 HG21 ILE 62 -9.354 1.712 -7.234 500 HG22 ILE 62 HG22 ILE 62 -7.852 2.214 -8.011 501 HG23 ILE 62 HG23 ILE 62 -8.112 2.542 -6.297 502 HD11 ILE 62 HD11 ILE 62 -5.546 -1.361 -6.459 503 HD12 ILE 62 HD12 ILE 62 -4.241 -0.266 -6.918 504 HD13 ILE 62 HD13 ILE 62 -5.473 -0.713 -8.098 505 H PHE 63 H PHE 63 -9.810 -0.129 -3.438 506 HA PHE 63 HA PHE 63 -12.240 -0.535 -5.003 507 HB2 PHE 63 HB2 PHE 63 -13.317 -1.074 -2.793 508 HB3 PHE 63 HB3 PHE 63 -12.040 -2.174 -3.279 509 HD1 PHE 63 HD2 PHE 63 -9.897 -2.191 -2.081 510 HD2 PHE 63 HD1 PHE 63 -13.133 0.263 -0.806 511 HE1 PHE 63 HE2 PHE 63 -8.828 -1.928 0.111 512 HE2 PHE 63 HE1 PHE 63 -12.068 0.522 1.396 513 HZ PHE 63 HZ PHE 63 -9.911 -0.571 1.856 514 H ALA 64 H ALA 64 -10.591 1.854 -3.167 515 HA ALA 64 HA ALA 64 -12.745 3.734 -3.647 516 HB1 ALA 64 HB1 ALA 64 -11.671 3.272 -0.860 517 HB2 ALA 64 HB2 ALA 64 -13.275 2.815 -1.438 518 HB3 ALA 64 HB3 ALA 64 -12.826 4.519 -1.333 519 H ALA 65 H ALA 65 -11.147 4.508 -5.163 520 HA ALA 65 HA ALA 65 -9.367 6.476 -3.959 521 HB1 ALA 65 HB1 ALA 65 -8.326 4.410 -5.896 522 HB2 ALA 65 HB2 ALA 65 -7.954 4.481 -4.173 523 HB3 ALA 65 HB3 ALA 65 -7.418 5.774 -5.247 524 H ASP 66 H ASP 66 -11.808 6.083 -5.867 525 HA ASP 66 HA ASP 66 -10.734 7.464 -8.233 526 HB2 ASP 66 HB2 ASP 66 -13.333 5.978 -7.857 527 HB3 ASP 66 HB3 ASP 66 -12.842 6.794 -9.341 528 H GLU 67 H GLU 67 -12.289 8.154 -5.410 529 HA GLU 67 HA GLU 67 -14.005 10.257 -6.382 530 HB2 GLU 67 HB2 GLU 67 -13.129 9.533 -3.579 531 HB3 GLU 67 HB3 GLU 67 -14.345 10.741 -3.972 532 HG2 GLU 67 HG2 GLU 67 -15.721 9.013 -5.011 533 HG3 GLU 67 HG3 GLU 67 -14.504 7.802 -4.602 534 H VAL 68 H VAL 68 -10.702 9.957 -5.913 535 HA VAL 68 HA VAL 68 -10.337 12.839 -5.502 536 HB VAL 68 HB VAL 68 -7.953 12.362 -5.142 537 HG11 VAL 68 HG11 VAL 68 -8.151 11.172 -3.010 538 HG12 VAL 68 HG12 VAL 68 -9.768 10.633 -3.466 539 HG13 VAL 68 HG13 VAL 68 -9.446 12.350 -3.223 540 HG21 VAL 68 HG21 VAL 68 -7.157 10.045 -4.911 541 HG22 VAL 68 HG22 VAL 68 -7.672 10.413 -6.558 542 HG23 VAL 68 HG23 VAL 68 -8.716 9.464 -5.499 543 H LEU 69 H LEU 69 -11.036 11.072 -8.036 544 HA LEU 69 HA LEU 69 -8.952 11.875 -9.869 545 HB2 LEU 69 HB2 LEU 69 -11.620 10.542 -10.305 546 HB3 LEU 69 HB3 LEU 69 -10.529 10.966 -11.611 547 HG LEU 69 HG LEU 69 -9.951 9.006 -9.385 548 HD11 LEU 69 HD11 LEU 69 -10.447 8.589 -12.330 549 HD12 LEU 69 HD12 LEU 69 -11.556 8.177 -11.021 550 HD13 LEU 69 HD13 LEU 69 -10.010 7.340 -11.166 551 HD21 LEU 69 HD21 LEU 69 -8.274 9.802 -11.766 552 HD22 LEU 69 HD22 LEU 69 -7.903 8.503 -10.632 553 HD23 LEU 69 HD23 LEU 69 -7.926 10.178 -10.079 554 H GLU 70 H GLU 70 -9.521 13.021 -11.868 555 HA GLU 70 HA GLU 70 -9.949 14.936 -12.924 556 HB2 GLU 70 HB2 GLU 70 -12.524 14.581 -11.479 557 HB3 GLU 70 HB3 GLU 70 -12.211 16.139 -12.233 558 HG2 GLU 70 HG2 GLU 70 -13.489 14.671 -13.705 559 HG3 GLU 70 HG3 GLU 70 -11.919 15.059 -14.396 560 H HIS 71 H HIS 71 -8.739 14.819 -10.134 561 HA HIS 71 HA HIS 71 -8.683 17.674 -9.558 562 HB2 HIS 71 HB2 HIS 71 -7.280 15.289 -8.345 563 HB3 HIS 71 HB3 HIS 71 -6.848 16.939 -7.917 564 HD1 HIS 71 HD1 HIS 71 -7.733 17.232 -5.611 565 HD2 HIS 71 HD2 HIS 71 -10.507 15.400 -8.107 566 HE1 HIS 71 HE1 HIS 71 -9.820 16.973 -4.240 567 HE2 HIS 71 HE2 HIS 71 -11.445 15.753 -5.731 568 H HIS 72 H HIS 72 -7.393 15.523 -11.684 569 HA HIS 72 HA HIS 72 -5.487 17.498 -12.656 570 HB2 HIS 72 HB2 HIS 72 -3.841 15.766 -13.253 571 HB3 HIS 72 HB3 HIS 72 -4.109 15.769 -11.521 572 HD1 HIS 72 HD1 HIS 72 -5.193 13.649 -10.479 573 HD2 HIS 72 HD2 HIS 72 -4.635 13.411 -14.589 574 HE1 HIS 72 HE1 HIS 72 -5.543 11.240 -11.070 575 HE2 HIS 72 HE2 HIS 72 -5.415 11.167 -13.589 576 H HIS 73 H HIS 73 -4.979 16.965 -15.030 577 HA HIS 73 HA HIS 73 -7.285 15.638 -16.303 578 HB2 HIS 73 HB2 HIS 73 -5.479 17.849 -17.287 579 HB3 HIS 73 HB3 HIS 73 -6.497 16.922 -18.378 580 HD1 HIS 73 HD1 HIS 73 -8.973 17.489 -18.450 581 HD2 HIS 73 HD2 HIS 73 -6.872 19.614 -15.564 582 HE1 HIS 73 HE1 HIS 73 -10.545 19.279 -17.653 583 HE2 HIS 73 HE2 HIS 73 -9.270 20.522 -15.865 584 H HIS 74 H HIS 74 -6.914 13.985 -17.725 585 HA HIS 74 HA HIS 74 -4.215 12.881 -17.719 586 HB2 HIS 74 HB2 HIS 74 -6.401 11.552 -17.260 587 HB3 HIS 74 HB3 HIS 74 -6.612 11.590 -19.005 588 HD1 HIS 74 HD1 HIS 74 -5.147 10.032 -20.410 589 HD2 HIS 74 HD2 HIS 74 -4.269 9.942 -16.348 590 HE1 HIS 74 HE1 HIS 74 -3.619 8.059 -20.090 591 HE2 HIS 74 HE2 HIS 74 -2.998 8.110 -17.647 592 H HIS 75 H HIS 75 -2.952 12.702 -19.483 593 HA HIS 75 HA HIS 75 -3.902 14.060 -21.922 594 HB2 HIS 75 HB2 HIS 75 -1.055 13.803 -20.897 595 HB3 HIS 75 HB3 HIS 75 -1.550 14.659 -22.349 596 HD1 HIS 75 HD1 HIS 75 -3.006 16.880 -21.931 597 HD2 HIS 75 HD2 HIS 75 -1.098 15.275 -18.605 598 HE1 HIS 75 HE1 HIS 75 -2.991 18.712 -20.211 599 HE2 HIS 75 HE2 HIS 75 -1.624 17.790 -18.308 600 H HIS 76 H HIS 76 -2.363 13.373 -23.843 601 HA HIS 76 HA HIS 76 -2.650 10.536 -24.230 602 HB2 HIS 76 HB2 HIS 76 -3.048 12.118 -26.059 603 HB3 HIS 76 HB3 HIS 76 -1.394 12.692 -25.953 604 HD1 HIS 76 HD1 HIS 76 0.035 11.801 -27.732 605 HD2 HIS 76 HD2 HIS 76 -2.994 9.128 -26.734 606 HE1 HIS 76 HE1 HIS 76 0.319 9.849 -29.279 607 HE2 HIS 76 HE2 HIS 76 -1.589 8.293 -28.741 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -11.063 -10.188 2.532 2 H2 MET 1 H2 MET 1 -11.900 -9.493 3.833 3 H3 MET 1 H3 MET 1 -10.229 -9.753 3.944 4 HA MET 1 HA MET 1 -9.785 -8.138 2.269 5 HB2 MET 1 HB2 MET 1 -11.878 -8.623 0.985 6 HB3 MET 1 HB3 MET 1 -12.789 -7.735 2.196 7 HG2 MET 1 HG2 MET 1 -11.575 -5.704 1.638 8 HG3 MET 1 HG3 MET 1 -10.624 -6.589 0.447 9 HE1 MET 1 HE1 MET 1 -14.118 -5.023 1.321 10 HE2 MET 1 HE2 MET 1 -14.499 -6.745 1.291 11 HE3 MET 1 HE3 MET 1 -15.139 -5.681 0.041 12 H ILE 2 H ILE 2 -8.969 -6.403 3.301 13 HA ILE 2 HA ILE 2 -10.148 -5.579 5.828 14 HB ILE 2 HB ILE 2 -8.169 -4.117 6.075 15 HG12 ILE 2 HG12 ILE 2 -7.181 -5.392 3.512 16 HG13 ILE 2 HG13 ILE 2 -7.805 -3.750 3.621 17 HG21 ILE 2 HG21 ILE 2 -8.126 -6.362 6.983 18 HG22 ILE 2 HG22 ILE 2 -6.526 -5.914 6.390 19 HG23 ILE 2 HG23 ILE 2 -7.544 -6.997 5.442 20 HD11 ILE 2 HD11 ILE 2 -5.391 -3.755 3.597 21 HD12 ILE 2 HD12 ILE 2 -5.357 -4.822 5.002 22 HD13 ILE 2 HD13 ILE 2 -5.985 -3.181 5.156 23 H ARG 3 H ARG 3 -10.288 -3.213 6.318 24 HA ARG 3 HA ARG 3 -11.381 -1.780 4.003 25 HB2 ARG 3 HB2 ARG 3 -12.414 -2.148 6.562 26 HB3 ARG 3 HB3 ARG 3 -11.803 -0.498 6.580 27 HG2 ARG 3 HG2 ARG 3 -13.758 -1.627 4.576 28 HG3 ARG 3 HG3 ARG 3 -14.174 -0.623 5.962 29 HD2 ARG 3 HD2 ARG 3 -12.841 1.215 5.025 30 HD3 ARG 3 HD3 ARG 3 -12.434 0.204 3.636 31 HE ARG 3 HE ARG 3 -15.237 0.341 3.915 32 HH11 ARG 3 HH11 ARG 3 -12.528 2.359 2.918 33 HH12 ARG 3 HH12 ARG 3 -13.510 3.356 1.889 34 HH21 ARG 3 HH21 ARG 3 -16.483 1.654 2.542 35 HH22 ARG 3 HH22 ARG 3 -15.736 2.954 1.669 36 H LEU 4 H LEU 4 -10.073 -0.447 3.103 37 HA LEU 4 HA LEU 4 -8.220 1.151 4.737 38 HB2 LEU 4 HB2 LEU 4 -8.079 0.387 1.812 39 HB3 LEU 4 HB3 LEU 4 -6.960 1.481 2.609 40 HG LEU 4 HG LEU 4 -7.338 -1.378 3.490 41 HD11 LEU 4 HD11 LEU 4 -6.576 -1.401 1.192 42 HD12 LEU 4 HD12 LEU 4 -5.273 -1.879 2.284 43 HD13 LEU 4 HD13 LEU 4 -5.293 -0.258 1.585 44 HD21 LEU 4 HD21 LEU 4 -5.158 0.649 3.971 45 HD22 LEU 4 HD22 LEU 4 -5.166 -1.018 4.550 46 HD23 LEU 4 HD23 LEU 4 -6.371 0.126 5.140 47 H THR 5 H THR 5 -8.018 3.412 4.133 48 HA THR 5 HA THR 5 -10.603 4.529 3.425 49 HB THR 5 HB THR 5 -9.505 6.732 3.958 50 HG1 THR 5 HG1 THR 5 -7.367 5.037 4.799 51 HG21 THR 5 HG21 THR 5 -9.393 4.615 6.111 52 HG22 THR 5 HG22 THR 5 -10.816 5.545 5.641 53 HG23 THR 5 HG23 THR 5 -9.436 6.358 6.380 54 H ILE 6 H ILE 6 -10.290 6.804 2.168 55 HA ILE 6 HA ILE 6 -9.714 6.162 -0.518 56 HB ILE 6 HB ILE 6 -9.825 8.977 0.582 57 HG12 ILE 6 HG12 ILE 6 -11.819 7.663 1.350 58 HG13 ILE 6 HG13 ILE 6 -12.220 9.011 0.297 59 HG21 ILE 6 HG21 ILE 6 -10.688 9.547 -1.642 60 HG22 ILE 6 HG22 ILE 6 -10.518 7.863 -2.135 61 HG23 ILE 6 HG23 ILE 6 -9.087 8.813 -1.728 62 HD11 ILE 6 HD11 ILE 6 -13.561 7.056 -0.207 63 HD12 ILE 6 HD12 ILE 6 -12.098 6.118 -0.510 64 HD13 ILE 6 HD13 ILE 6 -12.512 7.469 -1.563 65 H GLU 7 H GLU 7 -7.810 7.726 2.006 66 HA GLU 7 HA GLU 7 -5.707 8.665 0.344 67 HB2 GLU 7 HB2 GLU 7 -5.738 8.056 3.297 68 HB3 GLU 7 HB3 GLU 7 -4.382 8.790 2.465 69 HG2 GLU 7 HG2 GLU 7 -5.515 10.545 3.504 70 HG3 GLU 7 HG3 GLU 7 -5.957 10.648 1.803 71 H GLU 8 H GLU 8 -6.106 5.742 2.306 72 HA GLU 8 HA GLU 8 -3.465 4.757 1.935 73 HB2 GLU 8 HB2 GLU 8 -5.983 3.304 2.781 74 HB3 GLU 8 HB3 GLU 8 -4.353 2.652 2.892 75 HG2 GLU 8 HG2 GLU 8 -3.723 4.295 4.495 76 HG3 GLU 8 HG3 GLU 8 -5.238 5.168 4.271 77 H THR 9 H THR 9 -6.551 4.042 0.361 78 HA THR 9 HA THR 9 -5.475 1.987 -1.314 79 HB THR 9 HB THR 9 -8.088 3.458 -1.720 80 HG1 THR 9 HG1 THR 9 -8.304 2.712 0.326 81 HG21 THR 9 HG21 THR 9 -8.821 1.321 -2.636 82 HG22 THR 9 HG22 THR 9 -7.214 0.647 -2.361 83 HG23 THR 9 HG23 THR 9 -7.437 1.956 -3.524 84 H ASN 10 H ASN 10 -5.954 5.478 -1.666 85 HA ASN 10 HA ASN 10 -5.491 5.707 -4.452 86 HB2 ASN 10 HB2 ASN 10 -6.352 7.551 -3.003 87 HB3 ASN 10 HB3 ASN 10 -4.749 7.707 -2.299 88 HD21 ASN 10 HD21 ASN 10 -4.252 9.700 -2.959 89 HD22 ASN 10 HD22 ASN 10 -4.107 10.183 -4.616 90 H LEU 11 H LEU 11 -3.346 5.749 -1.671 91 HA LEU 11 HA LEU 11 -0.885 6.216 -2.940 92 HB2 LEU 11 HB2 LEU 11 -0.902 6.501 -0.648 93 HB3 LEU 11 HB3 LEU 11 -1.813 5.034 -0.362 94 HG LEU 11 HG LEU 11 0.326 3.798 -1.063 95 HD11 LEU 11 HD11 LEU 11 1.538 5.669 -1.998 96 HD12 LEU 11 HD12 LEU 11 2.400 5.010 -0.606 97 HD13 LEU 11 HD13 LEU 11 1.479 6.506 -0.446 98 HD21 LEU 11 HD21 LEU 11 -0.585 3.828 1.160 99 HD22 LEU 11 HD22 LEU 11 0.171 5.391 1.468 100 HD23 LEU 11 HD23 LEU 11 1.173 3.962 1.212 101 H LEU 12 H LEU 12 -2.602 3.199 -2.194 102 HA LEU 12 HA LEU 12 -0.569 1.446 -3.119 103 HB2 LEU 12 HB2 LEU 12 -3.526 0.900 -2.964 104 HB3 LEU 12 HB3 LEU 12 -2.251 -0.293 -3.078 105 HG LEU 12 HG LEU 12 -2.818 1.518 -0.743 106 HD11 LEU 12 HD11 LEU 12 -3.367 -0.573 0.384 107 HD12 LEU 12 HD12 LEU 12 -3.071 -1.456 -1.115 108 HD13 LEU 12 HD13 LEU 12 -4.395 -0.293 -1.022 109 HD21 LEU 12 HD21 LEU 12 -0.657 -0.568 -1.062 110 HD22 LEU 12 HD22 LEU 12 -1.056 0.280 0.433 111 HD23 LEU 12 HD23 LEU 12 -0.412 1.175 -0.945 112 H SER 13 H SER 13 -3.230 3.082 -4.667 113 HA SER 13 HA SER 13 -3.159 1.704 -7.148 114 HB2 SER 13 HB2 SER 13 -5.077 3.065 -6.262 115 HB3 SER 13 HB3 SER 13 -4.138 4.517 -6.606 116 HG SER 13 HG SER 13 -4.472 2.651 -8.655 117 H ILE 14 H ILE 14 -1.243 4.270 -5.794 118 HA ILE 14 HA ILE 14 -0.213 5.245 -8.287 119 HB ILE 14 HB ILE 14 0.641 5.713 -5.426 120 HG12 ILE 14 HG12 ILE 14 -0.724 7.550 -7.401 121 HG13 ILE 14 HG13 ILE 14 -1.577 6.590 -6.199 122 HG21 ILE 14 HG21 ILE 14 1.660 7.105 -7.908 123 HG22 ILE 14 HG22 ILE 14 2.583 6.000 -6.887 124 HG23 ILE 14 HG23 ILE 14 2.034 7.546 -6.240 125 HD11 ILE 14 HD11 ILE 14 -0.426 7.795 -4.424 126 HD12 ILE 14 HD12 ILE 14 -1.321 8.887 -5.482 127 HD13 ILE 14 HD13 ILE 14 0.431 8.752 -5.632 128 H TYR 15 H TYR 15 0.878 2.979 -5.780 129 HA TYR 15 HA TYR 15 3.348 2.532 -7.312 130 HB2 TYR 15 HB2 TYR 15 2.743 2.037 -4.392 131 HB3 TYR 15 HB3 TYR 15 4.257 1.599 -5.180 132 HD1 TYR 15 HD2 TYR 15 5.644 3.458 -6.234 133 HD2 TYR 15 HD1 TYR 15 2.419 4.227 -3.568 134 HE1 TYR 15 HE2 TYR 15 6.506 5.730 -5.852 135 HE2 TYR 15 HE1 TYR 15 3.272 6.502 -3.183 136 HH TYR 15 HH TYR 15 5.718 7.907 -5.116 137 H ASN 16 H ASN 16 0.471 1.198 -7.285 138 HA ASN 16 HA ASN 16 0.701 -1.537 -6.903 139 HB2 ASN 16 HB2 ASN 16 -1.417 -0.331 -7.352 140 HB3 ASN 16 HB3 ASN 16 -0.912 -0.075 -9.013 141 HD21 ASN 16 HD21 ASN 16 -2.257 -2.293 -6.729 142 HD22 ASN 16 HD22 ASN 16 -2.624 -3.549 -7.859 143 H GLU 17 H GLU 17 2.447 -2.593 -7.613 144 HA GLU 17 HA GLU 17 3.131 -2.412 -10.439 145 HB2 GLU 17 HB2 GLU 17 4.989 -2.071 -8.927 146 HB3 GLU 17 HB3 GLU 17 4.634 -3.569 -8.087 147 HG2 GLU 17 HG2 GLU 17 6.591 -3.769 -9.510 148 HG3 GLU 17 HG3 GLU 17 5.302 -4.852 -10.031 149 H GLY 18 H GLY 18 3.185 -5.163 -8.143 150 HA2 GLY 18 HA2 GLY 18 1.717 -6.724 -10.162 151 HA3 GLY 18 HA3 GLY 18 3.220 -7.334 -9.480 152 H GLY 19 H GLY 19 -0.012 -6.217 -8.608 153 HA2 GLY 19 HA2 GLY 19 -1.506 -7.085 -7.063 154 HA3 GLY 19 HA3 GLY 19 -0.347 -8.360 -6.703 155 H LYS 20 H LYS 20 -0.310 -8.257 -4.512 156 HA LYS 20 HA LYS 20 0.373 -5.714 -3.266 157 HB2 LYS 20 HB2 LYS 20 0.168 -6.947 -1.116 158 HB3 LYS 20 HB3 LYS 20 -1.276 -6.990 -2.097 159 HG2 LYS 20 HG2 LYS 20 -1.177 -9.127 -1.277 160 HG3 LYS 20 HG3 LYS 20 -0.437 -9.306 -2.864 161 HD2 LYS 20 HD2 LYS 20 0.883 -10.527 -1.303 162 HD3 LYS 20 HD3 LYS 20 1.797 -9.102 -1.748 163 HE2 LYS 20 HE2 LYS 20 2.049 -9.327 0.573 164 HE3 LYS 20 HE3 LYS 20 0.885 -8.023 0.330 165 HZ1 LYS 20 HZ1 LYS 20 0.158 -9.503 2.059 166 HZ2 LYS 20 HZ2 LYS 20 0.247 -10.832 1.015 167 HZ3 LYS 20 HZ3 LYS 20 -0.894 -9.610 0.738 168 H ARG 21 H ARG 21 1.875 -8.554 -4.402 169 HA ARG 21 HA ARG 21 4.163 -8.517 -2.696 170 HB2 ARG 21 HB2 ARG 21 3.331 -10.568 -3.737 171 HB3 ARG 21 HB3 ARG 21 3.677 -9.918 -5.329 172 HG2 ARG 21 HG2 ARG 21 6.049 -9.945 -4.866 173 HG3 ARG 21 HG3 ARG 21 5.742 -10.496 -3.216 174 HD2 ARG 21 HD2 ARG 21 6.401 -12.337 -4.692 175 HD3 ARG 21 HD3 ARG 21 4.772 -12.550 -4.057 176 HE ARG 21 HE ARG 21 4.875 -11.277 -6.648 177 HH11 ARG 21 HH11 ARG 21 4.741 -14.369 -4.984 178 HH12 ARG 21 HH12 ARG 21 4.014 -15.192 -6.324 179 HH21 ARG 21 HH21 ARG 21 3.916 -12.375 -8.393 180 HH22 ARG 21 HH22 ARG 21 3.556 -14.069 -8.261 181 H GLY 22 H GLY 22 3.677 -7.692 -6.136 182 HA2 GLY 22 HA2 GLY 22 6.153 -6.382 -6.497 183 HA3 GLY 22 HA3 GLY 22 4.715 -6.139 -7.475 184 H LEU 23 H LEU 23 3.097 -5.282 -5.222 185 HA LEU 23 HA LEU 23 3.555 -2.511 -5.098 186 HB2 LEU 23 HB2 LEU 23 1.385 -3.563 -4.713 187 HB3 LEU 23 HB3 LEU 23 1.987 -4.342 -3.266 188 HG LEU 23 HG LEU 23 2.226 -2.115 -2.205 189 HD11 LEU 23 HD11 LEU 23 2.482 -0.757 -4.228 190 HD12 LEU 23 HD12 LEU 23 1.161 -0.179 -3.212 191 HD13 LEU 23 HD13 LEU 23 0.810 -1.116 -4.663 192 HD21 LEU 23 HD21 LEU 23 -0.100 -1.790 -1.806 193 HD22 LEU 23 HD22 LEU 23 0.219 -3.520 -1.962 194 HD23 LEU 23 HD23 LEU 23 -0.510 -2.628 -3.302 195 H MET 24 H MET 24 4.381 -5.117 -2.802 196 HA MET 24 HA MET 24 5.445 -3.384 -0.809 197 HB2 MET 24 HB2 MET 24 5.649 -6.354 -1.259 198 HB3 MET 24 HB3 MET 24 6.511 -5.554 0.047 199 HG2 MET 24 HG2 MET 24 4.409 -4.738 0.950 200 HG3 MET 24 HG3 MET 24 3.539 -5.515 -0.371 201 HE1 MET 24 HE1 MET 24 2.692 -7.564 2.926 202 HE2 MET 24 HE2 MET 24 2.032 -6.524 1.660 203 HE3 MET 24 HE3 MET 24 3.116 -5.851 2.876 204 H GLU 25 H GLU 25 6.929 -5.258 -3.443 205 HA GLU 25 HA GLU 25 9.621 -4.706 -2.797 206 HB2 GLU 25 HB2 GLU 25 8.368 -5.253 -5.498 207 HB3 GLU 25 HB3 GLU 25 10.093 -5.276 -5.167 208 HG2 GLU 25 HG2 GLU 25 8.057 -7.101 -3.914 209 HG3 GLU 25 HG3 GLU 25 9.108 -7.514 -5.268 210 H ASN 26 H ASN 26 7.281 -2.964 -4.779 211 HA ASN 26 HA ASN 26 9.111 -1.018 -5.769 212 HB2 ASN 26 HB2 ASN 26 6.939 -1.677 -6.866 213 HB3 ASN 26 HB3 ASN 26 6.099 -0.792 -5.601 214 HD21 ASN 26 HD21 ASN 26 5.190 0.630 -7.039 215 HD22 ASN 26 HD22 ASN 26 6.103 1.867 -7.833 216 H ILE 27 H ILE 27 6.822 -1.111 -3.053 217 HA ILE 27 HA ILE 27 7.123 1.615 -2.355 218 HB ILE 27 HB ILE 27 5.948 -0.740 -0.908 219 HG12 ILE 27 HG12 ILE 27 4.832 1.900 -1.890 220 HG13 ILE 27 HG13 ILE 27 4.685 0.357 -2.716 221 HG21 ILE 27 HG21 ILE 27 7.012 0.555 0.865 222 HG22 ILE 27 HG22 ILE 27 5.257 0.720 0.941 223 HG23 ILE 27 HG23 ILE 27 6.237 2.026 0.273 224 HD11 ILE 27 HD11 ILE 27 2.624 0.961 -1.589 225 HD12 ILE 27 HD12 ILE 27 3.476 1.052 -0.047 226 HD13 ILE 27 HD13 ILE 27 3.321 -0.495 -0.881 227 H ASN 28 H ASN 28 8.747 -1.317 -1.107 228 HA ASN 28 HA ASN 28 10.129 0.040 0.970 229 HB2 ASN 28 HB2 ASN 28 10.363 -2.663 -0.262 230 HB3 ASN 28 HB3 ASN 28 11.672 -2.089 0.762 231 HD21 ASN 28 HD21 ASN 28 8.389 -3.167 0.637 232 HD22 ASN 28 HD22 ASN 28 8.158 -3.288 2.349 233 H ALA 29 H ALA 29 10.868 -0.380 -2.406 234 HA ALA 29 HA ALA 29 13.615 0.490 -2.103 235 HB1 ALA 29 HB1 ALA 29 11.953 0.139 -4.596 236 HB2 ALA 29 HB2 ALA 29 13.023 -1.070 -3.884 237 HB3 ALA 29 HB3 ALA 29 13.690 0.424 -4.543 238 H ALA 30 H ALA 30 10.507 1.930 -2.885 239 HA ALA 30 HA ALA 30 11.789 4.417 -3.749 240 HB1 ALA 30 HB1 ALA 30 10.091 3.431 -5.213 241 HB2 ALA 30 HB2 ALA 30 9.615 5.029 -4.641 242 HB3 ALA 30 HB3 ALA 30 8.897 3.587 -3.924 243 H LEU 31 H LEU 31 11.246 3.403 -0.829 244 HA LEU 31 HA LEU 31 9.353 4.967 0.423 245 HB2 LEU 31 HB2 LEU 31 11.953 3.858 1.431 246 HB3 LEU 31 HB3 LEU 31 10.899 4.797 2.468 247 HG LEU 31 HG LEU 31 10.124 2.224 1.088 248 HD11 LEU 31 HD11 LEU 31 10.806 2.784 3.974 249 HD12 LEU 31 HD12 LEU 31 11.801 1.880 2.831 250 HD13 LEU 31 HD13 LEU 31 10.229 1.250 3.324 251 HD21 LEU 31 HD21 LEU 31 8.224 3.715 1.449 252 HD22 LEU 31 HD22 LEU 31 8.673 3.891 3.145 253 HD23 LEU 31 HD23 LEU 31 8.147 2.323 2.531 254 HA PRO 32 HA PRO 32 12.514 8.580 1.319 255 HB2 PRO 32 HB2 PRO 32 14.426 8.407 -0.918 256 HB3 PRO 32 HB3 PRO 32 14.722 8.714 0.795 257 HG2 PRO 32 HG2 PRO 32 15.403 6.399 -0.344 258 HG3 PRO 32 HG3 PRO 32 14.794 6.468 1.320 259 HD2 PRO 32 HD2 PRO 32 13.374 5.681 -1.192 260 HD3 PRO 32 HD3 PRO 32 13.307 4.941 0.420 261 H PHE 33 H PHE 33 11.606 7.510 -1.866 262 HA PHE 33 HA PHE 33 11.582 10.203 -2.997 263 HB2 PHE 33 HB2 PHE 33 10.776 7.654 -4.403 264 HB3 PHE 33 HB3 PHE 33 11.361 9.154 -5.113 265 HD1 PHE 33 HD2 PHE 33 13.834 9.823 -4.340 266 HD2 PHE 33 HD1 PHE 33 12.214 5.888 -4.259 267 HE1 PHE 33 HE2 PHE 33 16.106 8.884 -4.348 268 HE2 PHE 33 HE1 PHE 33 14.482 4.948 -4.265 269 HZ PHE 33 HZ PHE 33 16.432 6.448 -4.312 270 H MET 34 H MET 34 9.584 8.760 -1.016 271 HA MET 34 HA MET 34 7.074 9.260 -2.442 272 HB2 MET 34 HB2 MET 34 7.742 7.908 0.157 273 HB3 MET 34 HB3 MET 34 6.089 8.280 -0.305 274 HG2 MET 34 HG2 MET 34 6.276 6.879 -2.250 275 HG3 MET 34 HG3 MET 34 7.978 6.573 -1.900 276 HE1 MET 34 HE1 MET 34 5.802 4.340 -2.439 277 HE2 MET 34 HE2 MET 34 6.307 3.151 -1.236 278 HE3 MET 34 HE3 MET 34 7.517 4.051 -2.151 279 H ASP 35 H ASP 35 9.066 11.263 -1.148 280 HA ASP 35 HA ASP 35 8.985 13.366 -0.345 281 HB2 ASP 35 HB2 ASP 35 6.974 13.663 -1.719 282 HB3 ASP 35 HB3 ASP 35 5.977 13.033 -0.418 283 H GLU 36 H GLU 36 6.135 12.144 1.456 284 HA GLU 36 HA GLU 36 7.573 11.475 3.806 285 HB2 GLU 36 HB2 GLU 36 7.685 13.975 4.010 286 HB3 GLU 36 HB3 GLU 36 5.926 14.013 4.029 287 HG2 GLU 36 HG2 GLU 36 5.882 12.745 6.086 288 HG3 GLU 36 HG3 GLU 36 7.635 12.571 6.051 289 H ASP 37 H ASP 37 4.456 12.752 2.662 290 HA ASP 37 HA ASP 37 2.931 11.395 4.646 291 HB2 ASP 37 HB2 ASP 37 2.180 12.887 2.145 292 HB3 ASP 37 HB3 ASP 37 0.979 12.082 3.147 293 H MET 38 H MET 38 3.684 10.712 1.267 294 HA MET 38 HA MET 38 2.041 8.379 1.163 295 HB2 MET 38 HB2 MET 38 4.322 9.276 -0.586 296 HB3 MET 38 HB3 MET 38 3.385 7.820 -0.885 297 HG2 MET 38 HG2 MET 38 2.419 10.666 -0.934 298 HG3 MET 38 HG3 MET 38 2.578 9.564 -2.298 299 HE1 MET 38 HE1 MET 38 -1.254 9.836 -2.238 300 HE2 MET 38 HE2 MET 38 0.171 9.669 -3.265 301 HE3 MET 38 HE3 MET 38 0.013 11.064 -2.190 302 H ARG 39 H ARG 39 5.301 9.006 2.239 303 HA ARG 39 HA ARG 39 6.270 6.330 2.047 304 HB2 ARG 39 HB2 ARG 39 7.790 8.260 2.138 305 HB3 ARG 39 HB3 ARG 39 7.239 8.618 3.767 306 HG2 ARG 39 HG2 ARG 39 8.069 6.270 4.368 307 HG3 ARG 39 HG3 ARG 39 8.923 6.319 2.826 308 HD2 ARG 39 HD2 ARG 39 9.226 8.261 5.113 309 HD3 ARG 39 HD3 ARG 39 10.377 7.011 4.642 310 HE ARG 39 HE ARG 39 10.631 8.266 2.521 311 HH11 ARG 39 HH11 ARG 39 9.386 9.933 5.342 312 HH12 ARG 39 HH12 ARG 39 9.981 11.489 4.845 313 HH21 ARG 39 HH21 ARG 39 11.406 10.324 1.864 314 HH22 ARG 39 HH22 ARG 39 11.126 11.704 2.873 315 H GLU 40 H GLU 40 5.170 8.306 4.798 316 HA GLU 40 HA GLU 40 5.491 6.272 6.737 317 HB2 GLU 40 HB2 GLU 40 3.717 8.719 6.840 318 HB3 GLU 40 HB3 GLU 40 4.207 7.749 8.220 319 HG2 GLU 40 HG2 GLU 40 5.930 9.502 6.490 320 HG3 GLU 40 HG3 GLU 40 5.536 9.727 8.191 321 H LEU 41 H LEU 41 2.774 7.276 4.762 322 HA LEU 41 HA LEU 41 0.833 5.621 6.019 323 HB2 LEU 41 HB2 LEU 41 0.363 7.626 4.581 324 HB3 LEU 41 HB3 LEU 41 0.815 6.666 3.187 325 HG LEU 41 HG LEU 41 -1.055 5.131 3.641 326 HD11 LEU 41 HD11 LEU 41 -1.763 7.089 5.825 327 HD12 LEU 41 HD12 LEU 41 -1.208 5.432 6.064 328 HD13 LEU 41 HD13 LEU 41 -2.760 5.740 5.282 329 HD21 LEU 41 HD21 LEU 41 -1.853 8.032 3.470 330 HD22 LEU 41 HD22 LEU 41 -2.836 6.655 2.976 331 HD23 LEU 41 HD23 LEU 41 -1.339 7.023 2.119 332 H ALA 42 H ALA 42 3.127 5.127 3.382 333 HA ALA 42 HA ALA 42 1.974 2.778 2.325 334 HB1 ALA 42 HB1 ALA 42 4.847 3.642 2.184 335 HB2 ALA 42 HB2 ALA 42 3.566 4.170 1.092 336 HB3 ALA 42 HB3 ALA 42 4.052 2.472 1.137 337 H LYS 43 H LYS 43 4.407 3.269 4.834 338 HA LYS 43 HA LYS 43 5.021 0.496 5.133 339 HB2 LYS 43 HB2 LYS 43 5.476 2.832 6.985 340 HB3 LYS 43 HB3 LYS 43 6.141 1.222 7.225 341 HG2 LYS 43 HG2 LYS 43 7.455 1.397 5.234 342 HG3 LYS 43 HG3 LYS 43 6.672 2.914 4.794 343 HD2 LYS 43 HD2 LYS 43 8.343 2.495 7.267 344 HD3 LYS 43 HD3 LYS 43 8.935 3.208 5.767 345 HE2 LYS 43 HE2 LYS 43 7.320 5.025 5.985 346 HE3 LYS 43 HE3 LYS 43 6.683 4.292 7.457 347 HZ1 LYS 43 HZ1 LYS 43 9.459 5.274 7.101 348 HZ2 LYS 43 HZ2 LYS 43 8.806 4.621 8.520 349 HZ3 LYS 43 HZ3 LYS 43 8.228 6.100 7.924 350 H ARG 44 H ARG 44 2.740 2.696 6.658 351 HA ARG 44 HA ARG 44 1.786 0.938 8.671 352 HB2 ARG 44 HB2 ARG 44 0.513 3.295 7.274 353 HB3 ARG 44 HB3 ARG 44 -0.263 2.431 8.590 354 HG2 ARG 44 HG2 ARG 44 1.471 3.090 10.114 355 HG3 ARG 44 HG3 ARG 44 2.401 3.814 8.797 356 HD2 ARG 44 HD2 ARG 44 0.599 5.418 8.400 357 HD3 ARG 44 HD3 ARG 44 -0.337 4.694 9.707 358 HE ARG 44 HE ARG 44 1.575 5.385 11.182 359 HH11 ARG 44 HH11 ARG 44 0.867 7.148 8.226 360 HH12 ARG 44 HH12 ARG 44 1.548 8.629 8.809 361 HH21 ARG 44 HH21 ARG 44 2.466 7.339 11.923 362 HH22 ARG 44 HH22 ARG 44 2.466 8.740 10.890 363 H THR 45 H THR 45 0.743 1.575 5.346 364 HA THR 45 HA THR 45 -1.503 -0.185 5.505 365 HB THR 45 HB THR 45 -0.268 0.976 2.994 366 HG1 THR 45 HG1 THR 45 -0.812 2.702 4.339 367 HG21 THR 45 HG21 THR 45 -2.530 0.781 2.088 368 HG22 THR 45 HG22 THR 45 -3.076 0.050 3.599 369 HG23 THR 45 HG23 THR 45 -1.903 -0.791 2.583 370 H LEU 46 H LEU 46 1.870 -0.556 4.393 371 HA LEU 46 HA LEU 46 1.446 -3.101 3.182 372 HB2 LEU 46 HB2 LEU 46 3.935 -1.819 4.255 373 HB3 LEU 46 HB3 LEU 46 3.933 -3.441 3.600 374 HG LEU 46 HG LEU 46 3.527 -0.836 2.179 375 HD11 LEU 46 HD11 LEU 46 5.779 -1.687 2.427 376 HD12 LEU 46 HD12 LEU 46 5.269 -1.762 0.739 377 HD13 LEU 46 HD13 LEU 46 5.294 -3.229 1.721 378 HD21 LEU 46 HD21 LEU 46 1.687 -2.254 1.424 379 HD22 LEU 46 HD22 LEU 46 2.820 -3.564 1.090 380 HD23 LEU 46 HD23 LEU 46 2.898 -2.069 0.155 381 H ALA 47 H ALA 47 2.085 -2.114 6.481 382 HA ALA 47 HA ALA 47 2.445 -4.762 7.492 383 HB1 ALA 47 HB1 ALA 47 3.266 -2.791 8.687 384 HB2 ALA 47 HB2 ALA 47 2.176 -3.748 9.690 385 HB3 ALA 47 HB3 ALA 47 1.603 -2.256 8.943 386 H LYS 48 H LYS 48 -0.295 -2.918 6.534 387 HA LYS 48 HA LYS 48 -2.215 -4.532 7.992 388 HB2 LYS 48 HB2 LYS 48 -2.302 -1.975 7.363 389 HB3 LYS 48 HB3 LYS 48 -2.987 -2.595 5.867 390 HG2 LYS 48 HG2 LYS 48 -4.780 -3.647 7.054 391 HG3 LYS 48 HG3 LYS 48 -4.055 -3.218 8.605 392 HD2 LYS 48 HD2 LYS 48 -4.308 -0.836 8.025 393 HD3 LYS 48 HD3 LYS 48 -5.115 -1.309 6.527 394 HE2 LYS 48 HE2 LYS 48 -6.785 -0.744 8.158 395 HE3 LYS 48 HE3 LYS 48 -6.823 -2.485 7.885 396 HZ1 LYS 48 HZ1 LYS 48 -5.475 -1.135 10.160 397 HZ2 LYS 48 HZ2 LYS 48 -5.558 -2.807 9.910 398 HZ3 LYS 48 HZ3 LYS 48 -6.969 -1.931 10.242 399 H ILE 49 H ILE 49 -0.773 -4.406 4.806 400 HA ILE 49 HA ILE 49 -2.633 -6.427 3.779 401 HB ILE 49 HB ILE 49 -0.238 -5.342 2.251 402 HG12 ILE 49 HG12 ILE 49 -3.058 -4.277 2.042 403 HG13 ILE 49 HG13 ILE 49 -1.846 -3.523 3.072 404 HG21 ILE 49 HG21 ILE 49 -1.282 -7.349 1.317 405 HG22 ILE 49 HG22 ILE 49 -1.575 -5.954 0.278 406 HG23 ILE 49 HG23 ILE 49 -2.854 -6.552 1.334 407 HD11 ILE 49 HD11 ILE 49 -2.047 -2.396 0.924 408 HD12 ILE 49 HD12 ILE 49 -1.629 -3.895 0.094 409 HD13 ILE 49 HD13 ILE 49 -0.444 -3.103 1.135 410 H ALA 50 H ALA 50 0.261 -6.302 5.514 411 HA ALA 50 HA ALA 50 1.602 -8.591 4.641 412 HB1 ALA 50 HB1 ALA 50 2.752 -8.586 6.755 413 HB2 ALA 50 HB2 ALA 50 1.523 -7.540 7.461 414 HB3 ALA 50 HB3 ALA 50 2.564 -6.929 6.176 415 HA PRO 51 HA PRO 51 -1.165 -11.392 7.387 416 HB2 PRO 51 HB2 PRO 51 -3.549 -10.518 8.291 417 HB3 PRO 51 HB3 PRO 51 -2.059 -10.331 9.227 418 HG2 PRO 51 HG2 PRO 51 -3.455 -8.342 7.474 419 HG3 PRO 51 HG3 PRO 51 -2.799 -8.127 9.110 420 HD2 PRO 51 HD2 PRO 51 -1.453 -7.339 6.909 421 HD3 PRO 51 HD3 PRO 51 -0.634 -7.944 8.357 422 H LEU 52 H LEU 52 -1.974 -9.481 4.768 423 HA LEU 52 HA LEU 52 -4.276 -11.114 3.972 424 HB2 LEU 52 HB2 LEU 52 -2.992 -8.753 2.595 425 HB3 LEU 52 HB3 LEU 52 -4.389 -9.617 2.002 426 HG LEU 52 HG LEU 52 -4.228 -7.843 4.432 427 HD11 LEU 52 HD11 LEU 52 -5.898 -6.540 3.198 428 HD12 LEU 52 HD12 LEU 52 -5.806 -7.687 1.863 429 HD13 LEU 52 HD13 LEU 52 -4.401 -6.708 2.281 430 HD21 LEU 52 HD21 LEU 52 -5.633 -9.775 4.960 431 HD22 LEU 52 HD22 LEU 52 -6.553 -9.518 3.477 432 HD23 LEU 52 HD23 LEU 52 -6.610 -8.317 4.769 433 H THR 53 H THR 53 -4.246 -11.950 1.715 434 HA THR 53 HA THR 53 -1.556 -12.755 0.826 435 HB THR 53 HB THR 53 -2.870 -14.322 -0.712 436 HG1 THR 53 HG1 THR 53 -5.003 -14.342 1.032 437 HG21 THR 53 HG21 THR 53 -3.235 -15.987 1.051 438 HG22 THR 53 HG22 THR 53 -3.101 -14.720 2.273 439 HG23 THR 53 HG23 THR 53 -1.712 -15.127 1.268 440 H GLU 54 H GLU 54 -1.858 -13.144 -1.821 441 HA GLU 54 HA GLU 54 -2.320 -10.526 -2.949 442 HB2 GLU 54 HB2 GLU 54 -1.504 -11.376 -5.018 443 HB3 GLU 54 HB3 GLU 54 -0.508 -12.089 -3.766 444 HG2 GLU 54 HG2 GLU 54 -2.785 -13.524 -5.128 445 HG3 GLU 54 HG3 GLU 54 -1.103 -13.615 -5.637 446 H ASN 55 H ASN 55 -4.060 -13.474 -2.561 447 HA ASN 55 HA ASN 55 -6.228 -13.042 -4.311 448 HB2 ASN 55 HB2 ASN 55 -5.582 -15.160 -2.994 449 HB3 ASN 55 HB3 ASN 55 -6.365 -14.410 -1.615 450 HD21 ASN 55 HD21 ASN 55 -7.001 -16.882 -2.951 451 HD22 ASN 55 HD22 ASN 55 -8.644 -16.746 -3.481 452 H GLU 56 H GLU 56 -5.685 -12.219 -0.910 453 HA GLU 56 HA GLU 56 -8.134 -10.890 -0.447 454 HB2 GLU 56 HB2 GLU 56 -5.460 -10.750 0.923 455 HB3 GLU 56 HB3 GLU 56 -6.879 -9.895 1.507 456 HG2 GLU 56 HG2 GLU 56 -6.742 -12.871 1.121 457 HG3 GLU 56 HG3 GLU 56 -6.413 -12.045 2.644 458 H TYR 57 H TYR 57 -5.072 -9.742 -1.759 459 HA TYR 57 HA TYR 57 -5.760 -6.968 -1.582 460 HB2 TYR 57 HB2 TYR 57 -3.403 -7.771 -1.749 461 HB3 TYR 57 HB3 TYR 57 -3.729 -8.271 -3.405 462 HD1 TYR 57 HD1 TYR 57 -3.486 -5.332 -1.171 463 HD2 TYR 57 HD2 TYR 57 -3.678 -6.690 -5.200 464 HE1 TYR 57 HE1 TYR 57 -2.916 -3.074 -1.960 465 HE2 TYR 57 HE2 TYR 57 -3.116 -4.434 -5.992 466 HH TYR 57 HH TYR 57 -1.968 -1.990 -3.924 467 H ALA 58 H ALA 58 -6.091 -9.490 -4.040 468 HA ALA 58 HA ALA 58 -7.114 -7.731 -6.054 469 HB1 ALA 58 HB1 ALA 58 -7.588 -9.755 -7.305 470 HB2 ALA 58 HB2 ALA 58 -7.277 -10.731 -5.867 471 HB3 ALA 58 HB3 ALA 58 -5.966 -9.813 -6.609 472 H GLU 59 H GLU 59 -8.525 -9.284 -3.314 473 HA GLU 59 HA GLU 59 -11.226 -9.260 -4.125 474 HB2 GLU 59 HB2 GLU 59 -9.953 -9.067 -1.400 475 HB3 GLU 59 HB3 GLU 59 -11.695 -9.077 -1.626 476 HG2 GLU 59 HG2 GLU 59 -9.823 -11.256 -2.515 477 HG3 GLU 59 HG3 GLU 59 -10.776 -11.278 -1.034 478 H LEU 60 H LEU 60 -9.214 -6.780 -2.548 479 HA LEU 60 HA LEU 60 -11.424 -4.913 -2.679 480 HB2 LEU 60 HB2 LEU 60 -9.685 -3.293 -1.696 481 HB3 LEU 60 HB3 LEU 60 -10.360 -4.557 -0.700 482 HG LEU 60 HG LEU 60 -8.107 -5.801 -1.479 483 HD11 LEU 60 HD11 LEU 60 -6.243 -4.218 -1.398 484 HD12 LEU 60 HD12 LEU 60 -7.386 -2.874 -1.402 485 HD13 LEU 60 HD13 LEU 60 -7.272 -3.934 -2.806 486 HD21 LEU 60 HD21 LEU 60 -8.888 -5.499 0.780 487 HD22 LEU 60 HD22 LEU 60 -8.410 -3.802 0.743 488 HD23 LEU 60 HD23 LEU 60 -7.181 -5.068 0.668 489 H ALA 61 H ALA 61 -8.181 -5.162 -4.069 490 HA ALA 61 HA ALA 61 -7.336 -4.655 -6.093 491 HB1 ALA 61 HB1 ALA 61 -9.146 -6.153 -6.746 492 HB2 ALA 61 HB2 ALA 61 -8.785 -4.958 -7.996 493 HB3 ALA 61 HB3 ALA 61 -10.201 -4.757 -6.959 494 H ILE 62 H ILE 62 -7.814 -2.358 -4.494 495 HA ILE 62 HA ILE 62 -7.895 -0.120 -4.488 496 HB ILE 62 HB ILE 62 -7.738 -0.194 -7.507 497 HG12 ILE 62 HG12 ILE 62 -5.829 -1.391 -6.628 498 HG13 ILE 62 HG13 ILE 62 -5.285 0.189 -7.173 499 HG21 ILE 62 HG21 ILE 62 -8.455 1.964 -6.681 500 HG22 ILE 62 HG22 ILE 62 -6.798 2.072 -7.282 501 HG23 ILE 62 HG23 ILE 62 -7.106 2.004 -5.545 502 HD11 ILE 62 HD11 ILE 62 -4.209 -0.425 -5.095 503 HD12 ILE 62 HD12 ILE 62 -5.779 -0.640 -4.318 504 HD13 ILE 62 HD13 ILE 62 -5.267 0.965 -4.843 505 H PHE 63 H PHE 63 -9.780 0.199 -3.629 506 HA PHE 63 HA PHE 63 -12.200 0.220 -5.297 507 HB2 PHE 63 HB2 PHE 63 -13.420 -0.562 -3.299 508 HB3 PHE 63 HB3 PHE 63 -12.133 -1.673 -3.721 509 HD1 PHE 63 HD2 PHE 63 -9.942 -1.470 -2.397 510 HD2 PHE 63 HD1 PHE 63 -13.611 0.273 -1.130 511 HE1 PHE 63 HE2 PHE 63 -9.091 -1.371 -0.116 512 HE2 PHE 63 HE1 PHE 63 -12.758 0.380 1.173 513 HZ PHE 63 HZ PHE 63 -10.493 -0.435 1.692 514 H ALA 64 H ALA 64 -10.136 2.270 -3.775 515 HA ALA 64 HA ALA 64 -12.134 4.311 -3.343 516 HB1 ALA 64 HB1 ALA 64 -12.195 3.088 -1.212 517 HB2 ALA 64 HB2 ALA 64 -11.567 4.723 -1.001 518 HB3 ALA 64 HB3 ALA 64 -10.462 3.350 -1.014 519 H ALA 65 H ALA 65 -10.725 5.017 -5.176 520 HA ALA 65 HA ALA 65 -8.618 6.759 -4.101 521 HB1 ALA 65 HB1 ALA 65 -8.295 5.052 -6.569 522 HB2 ALA 65 HB2 ALA 65 -7.483 4.794 -5.023 523 HB3 ALA 65 HB3 ALA 65 -7.137 6.241 -5.970 524 H ASP 66 H ASP 66 -11.452 6.552 -5.643 525 HA ASP 66 HA ASP 66 -10.983 8.108 -8.024 526 HB2 ASP 66 HB2 ASP 66 -13.606 7.308 -6.738 527 HB3 ASP 66 HB3 ASP 66 -13.392 7.909 -8.376 528 H GLU 67 H GLU 67 -11.982 8.741 -4.764 529 HA GLU 67 HA GLU 67 -13.560 11.053 -5.439 530 HB2 GLU 67 HB2 GLU 67 -12.821 9.977 -2.718 531 HB3 GLU 67 HB3 GLU 67 -14.087 11.146 -3.067 532 HG2 GLU 67 HG2 GLU 67 -14.012 8.262 -3.926 533 HG3 GLU 67 HG3 GLU 67 -15.047 8.963 -2.685 534 H VAL 68 H VAL 68 -10.281 10.543 -4.652 535 HA VAL 68 HA VAL 68 -9.894 13.315 -3.805 536 HB VAL 68 HB VAL 68 -7.443 12.630 -3.637 537 HG11 VAL 68 HG11 VAL 68 -8.833 12.875 -1.671 538 HG12 VAL 68 HG12 VAL 68 -7.765 11.482 -1.486 539 HG13 VAL 68 HG13 VAL 68 -9.466 11.243 -1.886 540 HG21 VAL 68 HG21 VAL 68 -7.526 10.643 -5.041 541 HG22 VAL 68 HG22 VAL 68 -8.645 9.876 -3.913 542 HG23 VAL 68 HG23 VAL 68 -6.990 10.229 -3.413 543 H LEU 69 H LEU 69 -10.174 11.748 -6.684 544 HA LEU 69 HA LEU 69 -8.258 13.548 -8.010 545 HB2 LEU 69 HB2 LEU 69 -9.369 10.936 -9.050 546 HB3 LEU 69 HB3 LEU 69 -8.230 11.970 -9.887 547 HG LEU 69 HG LEU 69 -7.674 10.520 -7.298 548 HD11 LEU 69 HD11 LEU 69 -7.919 8.977 -9.146 549 HD12 LEU 69 HD12 LEU 69 -6.231 9.093 -8.648 550 HD13 LEU 69 HD13 LEU 69 -6.780 9.921 -10.106 551 HD21 LEU 69 HD21 LEU 69 -6.370 12.576 -7.517 552 HD22 LEU 69 HD22 LEU 69 -5.822 12.065 -9.114 553 HD23 LEU 69 HD23 LEU 69 -5.348 11.149 -7.683 554 H GLU 70 H GLU 70 -11.179 11.714 -8.832 555 HA GLU 70 HA GLU 70 -12.202 13.872 -10.482 556 HB2 GLU 70 HB2 GLU 70 -13.665 11.328 -9.781 557 HB3 GLU 70 HB3 GLU 70 -13.831 12.322 -11.219 558 HG2 GLU 70 HG2 GLU 70 -11.689 11.596 -12.026 559 HG3 GLU 70 HG3 GLU 70 -11.413 10.674 -10.544 560 H HIS 71 H HIS 71 -12.977 15.527 -9.265 561 HA HIS 71 HA HIS 71 -14.655 14.820 -6.949 562 HB2 HIS 71 HB2 HIS 71 -12.333 15.997 -6.666 563 HB3 HIS 71 HB3 HIS 71 -13.214 17.445 -7.144 564 HD1 HIS 71 HD1 HIS 71 -13.745 18.745 -5.097 565 HD2 HIS 71 HD2 HIS 71 -14.101 14.651 -4.481 566 HE1 HIS 71 HE1 HIS 71 -14.560 18.484 -2.735 567 HE2 HIS 71 HE2 HIS 71 -14.706 15.994 -2.362 568 H HIS 72 H HIS 72 -14.852 15.992 -9.995 569 HA HIS 72 HA HIS 72 -17.365 17.387 -9.372 570 HB2 HIS 72 HB2 HIS 72 -15.304 18.288 -11.399 571 HB3 HIS 72 HB3 HIS 72 -16.940 18.921 -11.307 572 HD1 HIS 72 HD1 HIS 72 -13.581 19.479 -10.058 573 HD2 HIS 72 HD2 HIS 72 -17.440 20.250 -8.705 574 HE1 HIS 72 HE1 HIS 72 -13.339 21.203 -8.247 575 HE2 HIS 72 HE2 HIS 72 -15.680 21.622 -7.408 576 H HIS 73 H HIS 73 -15.486 16.212 -12.173 577 HA HIS 73 HA HIS 73 -17.718 14.412 -12.809 578 HB2 HIS 73 HB2 HIS 73 -16.209 16.100 -14.833 579 HB3 HIS 73 HB3 HIS 73 -17.250 14.756 -15.265 580 HD1 HIS 73 HD1 HIS 73 -19.707 15.246 -15.527 581 HD2 HIS 73 HD2 HIS 73 -17.622 18.388 -13.777 582 HE1 HIS 73 HE1 HIS 73 -21.320 17.169 -15.444 583 HE2 HIS 73 HE2 HIS 73 -20.002 19.092 -14.495 584 H HIS 74 H HIS 74 -14.595 15.077 -14.384 585 HA HIS 74 HA HIS 74 -13.523 12.519 -13.418 586 HB2 HIS 74 HB2 HIS 74 -13.518 13.345 -16.336 587 HB3 HIS 74 HB3 HIS 74 -12.660 11.966 -15.675 588 HD1 HIS 74 HD1 HIS 74 -15.841 12.937 -17.148 589 HD2 HIS 74 HD2 HIS 74 -14.490 9.893 -14.670 590 HE1 HIS 74 HE1 HIS 74 -17.628 11.177 -17.209 591 HE2 HIS 74 HE2 HIS 74 -16.876 9.448 -15.541 592 H HIS 75 H HIS 75 -11.311 12.515 -13.153 593 HA HIS 75 HA HIS 75 -9.186 13.210 -12.875 594 HB2 HIS 75 HB2 HIS 75 -9.887 14.780 -15.321 595 HB3 HIS 75 HB3 HIS 75 -8.366 15.107 -14.501 596 HD1 HIS 75 HD1 HIS 75 -8.849 13.774 -17.407 597 HD2 HIS 75 HD2 HIS 75 -7.660 11.866 -13.913 598 HE1 HIS 75 HE1 HIS 75 -7.623 11.709 -18.144 599 HE2 HIS 75 HE2 HIS 75 -6.808 10.638 -16.021 600 H HIS 76 H HIS 76 -7.729 15.228 -12.530 601 HA HIS 76 HA HIS 76 -9.263 17.339 -11.157 602 HB2 HIS 76 HB2 HIS 76 -7.972 15.968 -9.555 603 HB3 HIS 76 HB3 HIS 76 -6.500 16.301 -10.461 604 HD1 HIS 76 HD1 HIS 76 -5.230 18.378 -9.852 605 HD2 HIS 76 HD2 HIS 76 -9.046 18.299 -8.199 606 HE1 HIS 76 HE1 HIS 76 -5.337 20.357 -8.307 607 HE2 HIS 76 HE2 HIS 76 -7.578 20.176 -7.183 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -13.997 -7.756 8.618 2 H2 MET 1 H2 MET 1 -14.425 -6.244 9.257 3 H3 MET 1 H3 MET 1 -12.945 -6.954 9.678 4 HA MET 1 HA MET 1 -12.174 -6.770 7.413 5 HB2 MET 1 HB2 MET 1 -14.409 -6.896 6.339 6 HB3 MET 1 HB3 MET 1 -14.794 -5.301 6.972 7 HG2 MET 1 HG2 MET 1 -12.952 -4.356 5.652 8 HG3 MET 1 HG3 MET 1 -12.621 -5.954 4.990 9 HE1 MET 1 HE1 MET 1 -14.094 -4.033 1.955 10 HE2 MET 1 HE2 MET 1 -12.743 -4.987 2.570 11 HE3 MET 1 HE3 MET 1 -13.063 -3.383 3.230 12 H ILE 2 H ILE 2 -10.615 -5.253 7.472 13 HA ILE 2 HA ILE 2 -11.075 -2.772 8.889 14 HB ILE 2 HB ILE 2 -8.880 -3.729 9.192 15 HG12 ILE 2 HG12 ILE 2 -8.637 -1.291 7.415 16 HG13 ILE 2 HG13 ILE 2 -9.075 -1.256 9.117 17 HG21 ILE 2 HG21 ILE 2 -7.249 -4.004 7.375 18 HG22 ILE 2 HG22 ILE 2 -8.495 -3.565 6.207 19 HG23 ILE 2 HG23 ILE 2 -8.662 -5.039 7.161 20 HD11 ILE 2 HD11 ILE 2 -6.883 -2.173 9.689 21 HD12 ILE 2 HD12 ILE 2 -6.749 -0.661 8.793 22 HD13 ILE 2 HD13 ILE 2 -6.453 -2.198 7.979 23 H ARG 3 H ARG 3 -11.885 -1.021 7.989 24 HA ARG 3 HA ARG 3 -12.286 -1.034 5.102 25 HB2 ARG 3 HB2 ARG 3 -14.114 -0.455 6.891 26 HB3 ARG 3 HB3 ARG 3 -13.330 1.120 6.905 27 HG2 ARG 3 HG2 ARG 3 -15.191 1.160 5.374 28 HG3 ARG 3 HG3 ARG 3 -13.682 1.293 4.465 29 HD2 ARG 3 HD2 ARG 3 -13.781 -1.124 4.005 30 HD3 ARG 3 HD3 ARG 3 -15.323 -1.211 4.854 31 HE ARG 3 HE ARG 3 -15.219 0.655 2.640 32 HH11 ARG 3 HH11 ARG 3 -16.140 -2.550 3.751 33 HH12 ARG 3 HH12 ARG 3 -17.111 -2.886 2.352 34 HH21 ARG 3 HH21 ARG 3 -16.497 0.193 0.807 35 HH22 ARG 3 HH22 ARG 3 -17.317 -1.337 0.690 36 H LEU 4 H LEU 4 -10.833 -0.133 3.909 37 HA LEU 4 HA LEU 4 -8.729 1.411 5.108 38 HB2 LEU 4 HB2 LEU 4 -9.102 0.510 2.252 39 HB3 LEU 4 HB3 LEU 4 -7.614 1.107 2.972 40 HG LEU 4 HG LEU 4 -9.046 -1.401 3.844 41 HD11 LEU 4 HD11 LEU 4 -7.238 -2.607 2.755 42 HD12 LEU 4 HD12 LEU 4 -6.567 -1.086 2.165 43 HD13 LEU 4 HD13 LEU 4 -8.142 -1.636 1.592 44 HD21 LEU 4 HD21 LEU 4 -6.969 -1.812 5.088 45 HD22 LEU 4 HD22 LEU 4 -7.788 -0.341 5.618 46 HD23 LEU 4 HD23 LEU 4 -6.366 -0.231 4.575 47 H THR 5 H THR 5 -8.105 3.461 4.565 48 HA THR 5 HA THR 5 -10.386 5.110 3.885 49 HB THR 5 HB THR 5 -8.926 5.652 5.855 50 HG1 THR 5 HG1 THR 5 -8.853 7.932 5.369 51 HG21 THR 5 HG21 THR 5 -6.921 6.475 3.756 52 HG22 THR 5 HG22 THR 5 -6.738 5.149 4.904 53 HG23 THR 5 HG23 THR 5 -6.797 6.816 5.483 54 H ILE 6 H ILE 6 -9.983 7.041 2.454 55 HA ILE 6 HA ILE 6 -9.527 6.155 -0.151 56 HB ILE 6 HB ILE 6 -9.443 9.055 0.698 57 HG12 ILE 6 HG12 ILE 6 -11.432 7.982 1.706 58 HG13 ILE 6 HG13 ILE 6 -11.877 9.139 0.461 59 HG21 ILE 6 HG21 ILE 6 -10.315 7.736 -1.870 60 HG22 ILE 6 HG22 ILE 6 -8.842 8.673 -1.616 61 HG23 ILE 6 HG23 ILE 6 -10.417 9.461 -1.518 62 HD11 ILE 6 HD11 ILE 6 -13.266 7.151 0.362 63 HD12 ILE 6 HD12 ILE 6 -11.833 6.142 0.155 64 HD13 ILE 6 HD13 ILE 6 -12.284 7.302 -1.095 65 H GLU 7 H GLU 7 -7.365 7.715 2.136 66 HA GLU 7 HA GLU 7 -5.316 8.393 0.300 67 HB2 GLU 7 HB2 GLU 7 -5.314 8.067 3.294 68 HB3 GLU 7 HB3 GLU 7 -3.923 8.633 2.379 69 HG2 GLU 7 HG2 GLU 7 -6.623 9.961 2.460 70 HG3 GLU 7 HG3 GLU 7 -5.196 10.472 3.358 71 H GLU 8 H GLU 8 -5.830 5.493 2.336 72 HA GLU 8 HA GLU 8 -3.263 4.341 1.869 73 HB2 GLU 8 HB2 GLU 8 -5.889 3.062 2.650 74 HB3 GLU 8 HB3 GLU 8 -4.348 2.222 2.627 75 HG2 GLU 8 HG2 GLU 8 -3.490 3.678 4.357 76 HG3 GLU 8 HG3 GLU 8 -4.990 4.607 4.346 77 H THR 9 H THR 9 -6.408 4.022 0.339 78 HA THR 9 HA THR 9 -5.616 2.034 -1.540 79 HB THR 9 HB THR 9 -8.017 3.817 -1.842 80 HG1 THR 9 HG1 THR 9 -8.515 3.168 0.144 81 HG21 THR 9 HG21 THR 9 -9.016 1.771 -2.719 82 HG22 THR 9 HG22 THR 9 -7.519 0.894 -2.393 83 HG23 THR 9 HG23 THR 9 -7.545 2.183 -3.598 84 H ASN 10 H ASN 10 -5.702 5.540 -1.532 85 HA ASN 10 HA ASN 10 -5.222 6.029 -4.275 86 HB2 ASN 10 HB2 ASN 10 -5.939 7.790 -2.765 87 HB3 ASN 10 HB3 ASN 10 -4.482 7.615 -1.802 88 HD21 ASN 10 HD21 ASN 10 -3.856 9.691 -2.022 89 HD22 ASN 10 HD22 ASN 10 -3.287 10.377 -3.505 90 H LEU 11 H LEU 11 -3.084 5.421 -1.548 91 HA LEU 11 HA LEU 11 -0.624 5.762 -2.883 92 HB2 LEU 11 HB2 LEU 11 -0.866 5.729 -0.449 93 HB3 LEU 11 HB3 LEU 11 -1.349 4.047 -0.506 94 HG LEU 11 HG LEU 11 0.889 3.440 -1.328 95 HD11 LEU 11 HD11 LEU 11 1.454 5.537 -2.436 96 HD12 LEU 11 HD12 LEU 11 2.687 5.082 -1.259 97 HD13 LEU 11 HD13 LEU 11 1.521 6.348 -0.870 98 HD21 LEU 11 HD21 LEU 11 0.910 5.093 1.179 99 HD22 LEU 11 HD22 LEU 11 2.043 3.805 0.760 100 HD23 LEU 11 HD23 LEU 11 0.344 3.426 1.055 101 H LEU 12 H LEU 12 -2.814 3.018 -2.542 102 HA LEU 12 HA LEU 12 -1.217 1.053 -3.797 103 HB2 LEU 12 HB2 LEU 12 -4.227 1.266 -3.740 104 HB3 LEU 12 HB3 LEU 12 -3.307 -0.174 -4.131 105 HG LEU 12 HG LEU 12 -3.320 1.200 -1.441 106 HD11 LEU 12 HD11 LEU 12 -4.661 -1.331 -2.371 107 HD12 LEU 12 HD12 LEU 12 -5.460 0.169 -1.896 108 HD13 LEU 12 HD13 LEU 12 -4.574 -0.777 -0.698 109 HD21 LEU 12 HD21 LEU 12 -2.097 -1.404 -2.326 110 HD22 LEU 12 HD22 LEU 12 -2.155 -0.805 -0.667 111 HD23 LEU 12 HD23 LEU 12 -1.222 0.062 -1.888 112 H SER 13 H SER 13 -3.437 3.497 -5.062 113 HA SER 13 HA SER 13 -3.519 2.596 -7.738 114 HB2 SER 13 HB2 SER 13 -3.837 5.428 -6.728 115 HB3 SER 13 HB3 SER 13 -4.411 4.793 -8.268 116 HG SER 13 HG SER 13 -5.223 3.669 -5.815 117 H ILE 14 H ILE 14 -1.063 4.331 -5.988 118 HA ILE 14 HA ILE 14 0.236 5.378 -8.345 119 HB ILE 14 HB ILE 14 1.297 5.325 -5.514 120 HG12 ILE 14 HG12 ILE 14 -0.220 7.581 -6.838 121 HG13 ILE 14 HG13 ILE 14 -0.992 6.405 -5.783 122 HG21 ILE 14 HG21 ILE 14 2.976 5.832 -7.212 123 HG22 ILE 14 HG22 ILE 14 2.613 7.265 -6.250 124 HG23 ILE 14 HG23 ILE 14 1.944 7.102 -7.874 125 HD11 ILE 14 HD11 ILE 14 1.209 8.298 -5.002 126 HD12 ILE 14 HD12 ILE 14 0.430 7.123 -3.941 127 HD13 ILE 14 HD13 ILE 14 -0.502 8.464 -4.610 128 H TYR 15 H TYR 15 0.683 2.599 -6.130 129 HA TYR 15 HA TYR 15 3.207 1.994 -7.547 130 HB2 TYR 15 HB2 TYR 15 2.591 1.668 -4.610 131 HB3 TYR 15 HB3 TYR 15 4.038 1.033 -5.389 132 HD1 TYR 15 HD2 TYR 15 5.398 2.840 -6.782 133 HD2 TYR 15 HD1 TYR 15 2.734 3.750 -3.599 134 HE1 TYR 15 HE2 TYR 15 6.521 5.001 -6.474 135 HE2 TYR 15 HE1 TYR 15 3.847 5.921 -3.285 136 HH TYR 15 HH TYR 15 5.998 7.231 -5.547 137 H ASN 16 H ASN 16 0.172 0.726 -7.203 138 HA ASN 16 HA ASN 16 0.995 -2.052 -6.935 139 HB2 ASN 16 HB2 ASN 16 -1.094 -1.659 -5.928 140 HB3 ASN 16 HB3 ASN 16 -1.666 -0.676 -7.264 141 HD21 ASN 16 HD21 ASN 16 -2.788 -1.590 -8.866 142 HD22 ASN 16 HD22 ASN 16 -3.211 -3.266 -8.923 143 H GLU 17 H GLU 17 1.767 -3.162 -8.648 144 HA GLU 17 HA GLU 17 0.354 -2.823 -11.193 145 HB2 GLU 17 HB2 GLU 17 2.273 -2.647 -12.526 146 HB3 GLU 17 HB3 GLU 17 2.561 -1.551 -11.192 147 HG2 GLU 17 HG2 GLU 17 3.730 -4.320 -11.414 148 HG3 GLU 17 HG3 GLU 17 4.549 -2.841 -11.905 149 H GLY 18 H GLY 18 1.578 -4.925 -8.833 150 HA2 GLY 18 HA2 GLY 18 0.954 -7.244 -10.441 151 HA3 GLY 18 HA3 GLY 18 2.653 -7.074 -10.043 152 H GLY 19 H GLY 19 -0.464 -6.787 -8.333 153 HA2 GLY 19 HA2 GLY 19 -1.288 -8.053 -6.588 154 HA3 GLY 19 HA3 GLY 19 0.140 -9.068 -6.698 155 H LYS 20 H LYS 20 0.011 -9.081 -4.362 156 HA LYS 20 HA LYS 20 0.492 -6.683 -2.878 157 HB2 LYS 20 HB2 LYS 20 -0.702 -8.343 -1.724 158 HB3 LYS 20 HB3 LYS 20 0.430 -9.609 -2.186 159 HG2 LYS 20 HG2 LYS 20 2.112 -8.242 -0.748 160 HG3 LYS 20 HG3 LYS 20 0.650 -7.543 -0.048 161 HD2 LYS 20 HD2 LYS 20 -0.140 -9.726 0.572 162 HD3 LYS 20 HD3 LYS 20 1.239 -10.483 -0.229 163 HE2 LYS 20 HE2 LYS 20 2.732 -9.241 1.336 164 HE3 LYS 20 HE3 LYS 20 1.293 -8.683 2.186 165 HZ1 LYS 20 HZ1 LYS 20 0.731 -11.034 2.596 166 HZ2 LYS 20 HZ2 LYS 20 2.189 -10.562 3.313 167 HZ3 LYS 20 HZ3 LYS 20 2.209 -11.491 1.896 168 H ARG 21 H ARG 21 2.547 -9.340 -4.079 169 HA ARG 21 HA ARG 21 4.888 -8.505 -2.742 170 HB2 ARG 21 HB2 ARG 21 4.262 -10.394 -4.897 171 HB3 ARG 21 HB3 ARG 21 5.890 -9.726 -4.942 172 HG2 ARG 21 HG2 ARG 21 6.367 -10.533 -2.759 173 HG3 ARG 21 HG3 ARG 21 4.689 -10.981 -2.500 174 HD2 ARG 21 HD2 ARG 21 6.546 -12.203 -4.534 175 HD3 ARG 21 HD3 ARG 21 6.106 -12.928 -2.990 176 HE ARG 21 HE ARG 21 3.720 -12.489 -4.251 177 HH11 ARG 21 HH11 ARG 21 6.649 -14.236 -5.068 178 HH12 ARG 21 HH12 ARG 21 5.836 -15.388 -6.069 179 HH21 ARG 21 HH21 ARG 21 2.648 -13.999 -5.570 180 HH22 ARG 21 HH22 ARG 21 3.553 -15.253 -6.363 181 H GLY 22 H GLY 22 3.767 -7.866 -6.060 182 HA2 GLY 22 HA2 GLY 22 5.828 -6.105 -6.773 183 HA3 GLY 22 HA3 GLY 22 4.219 -6.121 -7.470 184 H LEU 23 H LEU 23 2.808 -5.489 -5.076 185 HA LEU 23 HA LEU 23 2.914 -2.689 -4.962 186 HB2 LEU 23 HB2 LEU 23 1.022 -4.307 -4.362 187 HB3 LEU 23 HB3 LEU 23 1.812 -4.531 -2.818 188 HG LEU 23 HG LEU 23 -0.192 -2.929 -2.954 189 HD11 LEU 23 HD11 LEU 23 1.245 -3.072 -1.010 190 HD12 LEU 23 HD12 LEU 23 0.736 -1.410 -1.309 191 HD13 LEU 23 HD13 LEU 23 2.365 -1.928 -1.749 192 HD21 LEU 23 HD21 LEU 23 0.470 -1.676 -4.925 193 HD22 LEU 23 HD22 LEU 23 1.913 -1.099 -4.092 194 HD23 LEU 23 HD23 LEU 23 0.313 -0.613 -3.527 195 H MET 24 H MET 24 4.145 -5.136 -2.659 196 HA MET 24 HA MET 24 5.119 -3.208 -0.796 197 HB2 MET 24 HB2 MET 24 5.508 -6.181 -1.028 198 HB3 MET 24 HB3 MET 24 6.311 -5.224 0.212 199 HG2 MET 24 HG2 MET 24 4.023 -4.394 0.868 200 HG3 MET 24 HG3 MET 24 3.373 -5.650 -0.185 201 HE1 MET 24 HE1 MET 24 2.029 -6.324 2.105 202 HE2 MET 24 HE2 MET 24 2.953 -5.165 3.062 203 HE3 MET 24 HE3 MET 24 2.851 -6.849 3.576 204 H GLU 25 H GLU 25 6.697 -5.142 -3.331 205 HA GLU 25 HA GLU 25 9.346 -4.410 -2.636 206 HB2 GLU 25 HB2 GLU 25 8.210 -5.378 -5.262 207 HB3 GLU 25 HB3 GLU 25 9.926 -5.231 -4.914 208 HG2 GLU 25 HG2 GLU 25 9.687 -6.902 -3.114 209 HG3 GLU 25 HG3 GLU 25 7.976 -7.029 -3.488 210 H ASN 26 H ASN 26 6.938 -2.989 -4.796 211 HA ASN 26 HA ASN 26 8.598 -0.997 -5.944 212 HB2 ASN 26 HB2 ASN 26 6.266 -1.746 -6.705 213 HB3 ASN 26 HB3 ASN 26 5.640 -0.702 -5.439 214 HD21 ASN 26 HD21 ASN 26 5.211 -0.541 -8.257 215 HD22 ASN 26 HD22 ASN 26 5.792 1.014 -8.766 216 H ILE 27 H ILE 27 6.385 -0.964 -3.155 217 HA ILE 27 HA ILE 27 6.796 1.715 -2.440 218 HB ILE 27 HB ILE 27 5.655 -0.658 -1.024 219 HG12 ILE 27 HG12 ILE 27 4.615 2.057 -1.858 220 HG13 ILE 27 HG13 ILE 27 4.304 0.527 -2.662 221 HG21 ILE 27 HG21 ILE 27 6.083 2.005 0.326 222 HG22 ILE 27 HG22 ILE 27 6.854 0.482 0.770 223 HG23 ILE 27 HG23 ILE 27 5.109 0.673 0.954 224 HD11 ILE 27 HD11 ILE 27 3.027 -0.221 -0.710 225 HD12 ILE 27 HD12 ILE 27 2.371 1.262 -1.403 226 HD13 ILE 27 HD13 ILE 27 3.332 1.330 0.074 227 H ASN 28 H ASN 28 8.482 -1.219 -1.313 228 HA ASN 28 HA ASN 28 10.076 0.056 0.638 229 HB2 ASN 28 HB2 ASN 28 10.165 -2.561 -0.751 230 HB3 ASN 28 HB3 ASN 28 11.638 -2.020 0.050 231 HD21 ASN 28 HD21 ASN 28 8.376 -3.088 0.459 232 HD22 ASN 28 HD22 ASN 28 8.452 -3.312 2.175 233 H ALA 29 H ALA 29 10.593 -0.479 -2.805 234 HA ALA 29 HA ALA 29 13.293 0.509 -2.772 235 HB1 ALA 29 HB1 ALA 29 11.424 0.111 -5.104 236 HB2 ALA 29 HB2 ALA 29 12.539 -1.094 -4.457 237 HB3 ALA 29 HB3 ALA 29 13.161 0.382 -5.198 238 H ALA 30 H ALA 30 10.137 1.950 -3.068 239 HA ALA 30 HA ALA 30 11.289 4.443 -4.100 240 HB1 ALA 30 HB1 ALA 30 9.021 5.072 -4.702 241 HB2 ALA 30 HB2 ALA 30 8.393 3.614 -3.936 242 HB3 ALA 30 HB3 ALA 30 9.420 3.486 -5.363 243 H LEU 31 H LEU 31 11.091 3.349 -1.138 244 HA LEU 31 HA LEU 31 9.461 5.074 0.324 245 HB2 LEU 31 HB2 LEU 31 12.014 3.677 1.076 246 HB3 LEU 31 HB3 LEU 31 11.117 4.654 2.221 247 HG LEU 31 HG LEU 31 9.944 2.273 0.776 248 HD11 LEU 31 HD11 LEU 31 11.063 2.435 3.572 249 HD12 LEU 31 HD12 LEU 31 11.788 1.568 2.219 250 HD13 LEU 31 HD13 LEU 31 10.230 1.050 2.864 251 HD21 LEU 31 HD21 LEU 31 8.208 2.416 2.492 252 HD22 LEU 31 HD22 LEU 31 8.305 3.905 1.552 253 HD23 LEU 31 HD23 LEU 31 8.997 3.841 3.173 254 HA PRO 32 HA PRO 32 12.800 8.470 0.546 255 HB2 PRO 32 HB2 PRO 32 15.026 7.963 -1.206 256 HB3 PRO 32 HB3 PRO 32 15.025 8.134 0.551 257 HG2 PRO 32 HG2 PRO 32 15.571 5.797 -0.749 258 HG3 PRO 32 HG3 PRO 32 14.911 5.880 0.893 259 HD2 PRO 32 HD2 PRO 32 13.491 5.389 -1.700 260 HD3 PRO 32 HD3 PRO 32 13.290 4.577 -0.129 261 H PHE 33 H PHE 33 11.331 7.246 -2.073 262 HA PHE 33 HA PHE 33 11.860 9.577 -3.803 263 HB2 PHE 33 HB2 PHE 33 10.652 6.879 -4.479 264 HB3 PHE 33 HB3 PHE 33 10.780 8.224 -5.608 265 HD1 PHE 33 HD2 PHE 33 12.952 8.909 -6.489 266 HD2 PHE 33 HD1 PHE 33 12.581 5.558 -3.893 267 HE1 PHE 33 HE2 PHE 33 15.197 8.148 -7.149 268 HE2 PHE 33 HE1 PHE 33 14.824 4.796 -4.549 269 HZ PHE 33 HZ PHE 33 16.133 6.091 -6.182 270 H MET 34 H MET 34 9.788 8.441 -1.534 271 HA MET 34 HA MET 34 7.324 9.513 -2.662 272 HB2 MET 34 HB2 MET 34 7.960 8.271 0.022 273 HB3 MET 34 HB3 MET 34 6.369 8.838 -0.455 274 HG2 MET 34 HG2 MET 34 6.202 7.182 -2.146 275 HG3 MET 34 HG3 MET 34 7.884 6.703 -1.916 276 HE1 MET 34 HE1 MET 34 6.039 3.569 -0.617 277 HE2 MET 34 HE2 MET 34 7.323 4.193 -1.653 278 HE3 MET 34 HE3 MET 34 5.639 4.584 -2.004 279 H ASP 35 H ASP 35 6.029 11.014 -1.226 280 HA ASP 35 HA ASP 35 7.537 13.094 0.050 281 HB2 ASP 35 HB2 ASP 35 4.621 12.396 -0.171 282 HB3 ASP 35 HB3 ASP 35 5.134 13.591 1.013 283 H GLU 36 H GLU 36 7.098 13.609 2.479 284 HA GLU 36 HA GLU 36 7.882 11.286 3.931 285 HB2 GLU 36 HB2 GLU 36 8.570 13.735 4.301 286 HB3 GLU 36 HB3 GLU 36 7.057 13.872 5.186 287 HG2 GLU 36 HG2 GLU 36 7.737 12.259 6.781 288 HG3 GLU 36 HG3 GLU 36 9.149 11.812 5.824 289 H ASP 37 H ASP 37 4.886 13.063 3.528 290 HA ASP 37 HA ASP 37 3.391 11.680 5.536 291 HB2 ASP 37 HB2 ASP 37 2.507 13.200 3.083 292 HB3 ASP 37 HB3 ASP 37 1.394 12.524 4.262 293 H MET 38 H MET 38 4.101 11.145 2.161 294 HA MET 38 HA MET 38 2.304 8.948 1.797 295 HB2 MET 38 HB2 MET 38 3.035 10.374 -0.060 296 HB3 MET 38 HB3 MET 38 4.700 9.880 0.195 297 HG2 MET 38 HG2 MET 38 4.130 7.603 -0.454 298 HG3 MET 38 HG3 MET 38 2.449 8.081 -0.682 299 HE1 MET 38 HE1 MET 38 1.526 9.322 -2.693 300 HE2 MET 38 HE2 MET 38 2.495 10.252 -3.838 301 HE3 MET 38 HE3 MET 38 2.401 10.754 -2.146 302 H ARG 39 H ARG 39 5.544 9.325 2.979 303 HA ARG 39 HA ARG 39 6.423 6.636 2.594 304 HB2 ARG 39 HB2 ARG 39 7.901 8.634 2.708 305 HB3 ARG 39 HB3 ARG 39 7.528 8.772 4.416 306 HG2 ARG 39 HG2 ARG 39 8.584 6.637 4.849 307 HG3 ARG 39 HG3 ARG 39 8.891 6.426 3.123 308 HD2 ARG 39 HD2 ARG 39 10.260 8.464 3.133 309 HD3 ARG 39 HD3 ARG 39 9.975 8.634 4.865 310 HE ARG 39 HE ARG 39 11.030 6.126 4.580 311 HH11 ARG 39 HH11 ARG 39 12.082 9.345 3.692 312 HH12 ARG 39 HH12 ARG 39 13.767 8.988 3.900 313 HH21 ARG 39 HH21 ARG 39 13.230 5.651 4.820 314 HH22 ARG 39 HH22 ARG 39 14.423 6.883 4.539 315 H GLU 40 H GLU 40 5.275 8.474 5.439 316 HA GLU 40 HA GLU 40 5.313 6.209 7.164 317 HB2 GLU 40 HB2 GLU 40 3.911 7.582 8.691 318 HB3 GLU 40 HB3 GLU 40 5.381 8.390 8.168 319 HG2 GLU 40 HG2 GLU 40 4.213 9.846 6.756 320 HG3 GLU 40 HG3 GLU 40 2.752 8.858 6.809 321 H LEU 41 H LEU 41 2.977 7.528 4.924 322 HA LEU 41 HA LEU 41 0.755 5.937 5.709 323 HB2 LEU 41 HB2 LEU 41 0.568 7.981 4.337 324 HB3 LEU 41 HB3 LEU 41 1.392 7.169 3.029 325 HG LEU 41 HG LEU 41 -0.507 5.566 2.885 326 HD11 LEU 41 HD11 LEU 41 -2.621 6.147 3.970 327 HD12 LEU 41 HD12 LEU 41 -1.818 7.451 4.842 328 HD13 LEU 41 HD13 LEU 41 -1.371 5.774 5.157 329 HD21 LEU 41 HD21 LEU 41 -0.347 7.475 1.393 330 HD22 LEU 41 HD22 LEU 41 -1.182 8.485 2.572 331 HD23 LEU 41 HD23 LEU 41 -2.030 7.144 1.802 332 H ALA 42 H ALA 42 3.519 5.427 3.605 333 HA ALA 42 HA ALA 42 2.682 3.107 2.304 334 HB1 ALA 42 HB1 ALA 42 4.625 4.424 1.629 335 HB2 ALA 42 HB2 ALA 42 5.027 2.720 1.846 336 HB3 ALA 42 HB3 ALA 42 5.479 3.893 3.083 337 H LYS 43 H LYS 43 4.383 3.523 5.386 338 HA LYS 43 HA LYS 43 4.681 0.752 5.948 339 HB2 LYS 43 HB2 LYS 43 4.643 3.102 7.844 340 HB3 LYS 43 HB3 LYS 43 5.232 1.488 8.222 341 HG2 LYS 43 HG2 LYS 43 7.001 1.717 6.588 342 HG3 LYS 43 HG3 LYS 43 6.375 3.297 6.110 343 HD2 LYS 43 HD2 LYS 43 6.788 4.140 8.365 344 HD3 LYS 43 HD3 LYS 43 7.422 2.561 8.835 345 HE2 LYS 43 HE2 LYS 43 9.187 2.786 7.143 346 HE3 LYS 43 HE3 LYS 43 8.560 4.380 6.717 347 HZ1 LYS 43 HZ1 LYS 43 10.448 4.508 8.232 348 HZ2 LYS 43 HZ2 LYS 43 9.598 3.609 9.389 349 HZ3 LYS 43 HZ3 LYS 43 9.045 5.147 8.939 350 H ARG 44 H ARG 44 2.216 3.129 6.668 351 HA ARG 44 HA ARG 44 0.574 1.653 8.427 352 HB2 ARG 44 HB2 ARG 44 0.609 4.164 7.733 353 HB3 ARG 44 HB3 ARG 44 -0.418 3.656 6.406 354 HG2 ARG 44 HG2 ARG 44 -2.073 2.838 8.028 355 HG3 ARG 44 HG3 ARG 44 -1.036 3.414 9.342 356 HD2 ARG 44 HD2 ARG 44 -1.109 5.663 7.991 357 HD3 ARG 44 HD3 ARG 44 -2.585 4.973 7.321 358 HE ARG 44 HE ARG 44 -3.056 4.695 9.920 359 HH11 ARG 44 HH11 ARG 44 -1.733 7.452 8.196 360 HH12 ARG 44 HH12 ARG 44 -2.391 8.617 9.302 361 HH21 ARG 44 HH21 ARG 44 -3.892 6.251 11.382 362 HH22 ARG 44 HH22 ARG 44 -3.614 7.941 11.089 363 H THR 45 H THR 45 0.632 1.998 4.923 364 HA THR 45 HA THR 45 -1.669 0.414 4.407 365 HB THR 45 HB THR 45 0.506 1.393 2.529 366 HG1 THR 45 HG1 THR 45 -0.545 3.147 3.412 367 HG21 THR 45 HG21 THR 45 -0.813 -0.423 1.532 368 HG22 THR 45 HG22 THR 45 -1.135 1.128 0.752 369 HG23 THR 45 HG23 THR 45 -2.297 0.463 1.908 370 H LEU 46 H LEU 46 1.838 -0.273 4.425 371 HA LEU 46 HA LEU 46 1.601 -2.850 3.260 372 HB2 LEU 46 HB2 LEU 46 3.754 -1.767 5.065 373 HB3 LEU 46 HB3 LEU 46 3.848 -3.288 4.206 374 HG LEU 46 HG LEU 46 3.862 -0.513 3.039 375 HD11 LEU 46 HD11 LEU 46 6.048 -1.218 2.195 376 HD12 LEU 46 HD12 LEU 46 5.860 -2.764 3.025 377 HD13 LEU 46 HD13 LEU 46 5.965 -1.270 3.956 378 HD21 LEU 46 HD21 LEU 46 2.488 -1.943 1.615 379 HD22 LEU 46 HD22 LEU 46 3.784 -3.138 1.558 380 HD23 LEU 46 HD23 LEU 46 4.020 -1.545 0.841 381 H ALA 47 H ALA 47 1.270 -1.706 6.538 382 HA ALA 47 HA ALA 47 1.690 -4.124 7.912 383 HB1 ALA 47 HB1 ALA 47 0.637 -3.024 9.798 384 HB2 ALA 47 HB2 ALA 47 -0.003 -1.774 8.733 385 HB3 ALA 47 HB3 ALA 47 1.737 -1.919 8.970 386 H LYS 48 H LYS 48 -1.244 -2.753 6.470 387 HA LYS 48 HA LYS 48 -2.829 -4.895 7.615 388 HB2 LYS 48 HB2 LYS 48 -4.753 -3.675 6.432 389 HB3 LYS 48 HB3 LYS 48 -4.009 -2.930 7.832 390 HG2 LYS 48 HG2 LYS 48 -4.269 -1.155 6.393 391 HG3 LYS 48 HG3 LYS 48 -2.599 -1.630 6.098 392 HD2 LYS 48 HD2 LYS 48 -3.231 -2.779 4.078 393 HD3 LYS 48 HD3 LYS 48 -4.944 -2.497 4.409 394 HE2 LYS 48 HE2 LYS 48 -4.569 -0.085 4.246 395 HE3 LYS 48 HE3 LYS 48 -2.865 -0.375 3.898 396 HZ1 LYS 48 HZ1 LYS 48 -5.156 -1.244 2.227 397 HZ2 LYS 48 HZ2 LYS 48 -3.528 -1.558 1.892 398 HZ3 LYS 48 HZ3 LYS 48 -4.102 0.034 1.887 399 H ILE 49 H ILE 49 -1.049 -4.531 4.780 400 HA ILE 49 HA ILE 49 -2.751 -6.423 3.307 401 HB ILE 49 HB ILE 49 -0.170 -5.139 2.340 402 HG12 ILE 49 HG12 ILE 49 -3.019 -4.343 1.702 403 HG13 ILE 49 HG13 ILE 49 -1.957 -3.458 2.792 404 HG21 ILE 49 HG21 ILE 49 -0.967 -5.789 0.108 405 HG22 ILE 49 HG22 ILE 49 -2.372 -6.567 0.839 406 HG23 ILE 49 HG23 ILE 49 -0.753 -7.194 1.154 407 HD11 ILE 49 HD11 ILE 49 -0.454 -2.957 0.969 408 HD12 ILE 49 HD12 ILE 49 -2.093 -2.446 0.561 409 HD13 ILE 49 HD13 ILE 49 -1.430 -3.929 -0.134 410 H ALA 50 H ALA 50 0.079 -6.244 5.253 411 HA ALA 50 HA ALA 50 1.617 -8.399 4.591 412 HB1 ALA 50 HB1 ALA 50 0.997 -7.518 7.397 413 HB2 ALA 50 HB2 ALA 50 2.148 -6.742 6.309 414 HB3 ALA 50 HB3 ALA 50 2.428 -8.396 6.854 415 HA PRO 51 HA PRO 51 -0.963 -11.623 7.034 416 HB2 PRO 51 HB2 PRO 51 -3.666 -10.713 7.490 417 HB3 PRO 51 HB3 PRO 51 -2.450 -11.199 8.671 418 HG2 PRO 51 HG2 PRO 51 -3.354 -8.645 8.394 419 HG3 PRO 51 HG3 PRO 51 -1.746 -9.060 9.012 420 HD2 PRO 51 HD2 PRO 51 -2.555 -8.165 6.277 421 HD3 PRO 51 HD3 PRO 51 -1.151 -7.680 7.252 422 H LEU 52 H LEU 52 -1.727 -10.147 4.216 423 HA LEU 52 HA LEU 52 -3.854 -12.031 3.465 424 HB2 LEU 52 HB2 LEU 52 -2.758 -9.758 1.805 425 HB3 LEU 52 HB3 LEU 52 -4.233 -10.661 1.528 426 HG LEU 52 HG LEU 52 -3.756 -8.741 3.813 427 HD11 LEU 52 HD11 LEU 52 -5.381 -7.326 2.664 428 HD12 LEU 52 HD12 LEU 52 -5.446 -8.479 1.331 429 HD13 LEU 52 HD13 LEU 52 -3.950 -7.610 1.674 430 HD21 LEU 52 HD21 LEU 52 -6.256 -10.228 3.009 431 HD22 LEU 52 HD22 LEU 52 -6.140 -9.004 4.273 432 HD23 LEU 52 HD23 LEU 52 -5.283 -10.533 4.449 433 H THR 53 H THR 53 -3.602 -13.468 1.772 434 HA THR 53 HA THR 53 -0.823 -14.045 1.011 435 HB THR 53 HB THR 53 -2.163 -15.853 2.088 436 HG1 THR 53 HG1 THR 53 -1.319 -16.409 -0.577 437 HG21 THR 53 HG21 THR 53 -4.364 -15.436 1.086 438 HG22 THR 53 HG22 THR 53 -3.841 -17.094 0.793 439 HG23 THR 53 HG23 THR 53 -3.740 -15.894 -0.498 440 H GLU 54 H GLU 54 -2.462 -11.919 -0.142 441 HA GLU 54 HA GLU 54 -2.209 -10.708 -2.040 442 HB2 GLU 54 HB2 GLU 54 -1.387 -13.229 -3.479 443 HB3 GLU 54 HB3 GLU 54 -1.384 -11.615 -4.169 444 HG2 GLU 54 HG2 GLU 54 0.273 -10.961 -2.420 445 HG3 GLU 54 HG3 GLU 54 0.356 -12.660 -1.950 446 H ASN 55 H ASN 55 -4.037 -13.655 -2.067 447 HA ASN 55 HA ASN 55 -5.692 -13.023 -4.302 448 HB2 ASN 55 HB2 ASN 55 -6.031 -14.963 -2.010 449 HB3 ASN 55 HB3 ASN 55 -7.206 -14.804 -3.307 450 HD21 ASN 55 HD21 ASN 55 -6.879 -16.955 -3.851 451 HD22 ASN 55 HD22 ASN 55 -5.484 -17.477 -4.729 452 H GLU 56 H GLU 56 -5.876 -12.438 -0.865 453 HA GLU 56 HA GLU 56 -8.498 -11.295 -0.904 454 HB2 GLU 56 HB2 GLU 56 -6.315 -11.057 1.176 455 HB3 GLU 56 HB3 GLU 56 -7.978 -10.537 1.382 456 HG2 GLU 56 HG2 GLU 56 -7.858 -12.575 2.495 457 HG3 GLU 56 HG3 GLU 56 -8.632 -12.957 0.961 458 H TYR 57 H TYR 57 -5.229 -10.111 -1.286 459 HA TYR 57 HA TYR 57 -5.902 -7.347 -1.198 460 HB2 TYR 57 HB2 TYR 57 -3.592 -7.991 -0.807 461 HB3 TYR 57 HB3 TYR 57 -3.485 -8.726 -2.406 462 HD1 TYR 57 HD1 TYR 57 -4.302 -5.428 -0.832 463 HD2 TYR 57 HD2 TYR 57 -2.546 -7.487 -4.114 464 HE1 TYR 57 HE1 TYR 57 -3.644 -3.277 -1.825 465 HE2 TYR 57 HE2 TYR 57 -1.876 -5.347 -5.110 466 HH TYR 57 HH TYR 57 -2.441 -3.050 -5.059 467 H ALA 58 H ALA 58 -5.904 -9.787 -3.750 468 HA ALA 58 HA ALA 58 -6.356 -8.056 -5.943 469 HB1 ALA 58 HB1 ALA 58 -7.188 -9.982 -7.095 470 HB2 ALA 58 HB2 ALA 58 -7.456 -10.829 -5.572 471 HB3 ALA 58 HB3 ALA 58 -5.807 -10.484 -6.116 472 H GLU 59 H GLU 59 -8.439 -9.490 -3.538 473 HA GLU 59 HA GLU 59 -10.918 -8.749 -4.691 474 HB2 GLU 59 HB2 GLU 59 -10.418 -10.607 -3.048 475 HB3 GLU 59 HB3 GLU 59 -10.326 -9.370 -1.802 476 HG2 GLU 59 HG2 GLU 59 -12.636 -8.710 -2.464 477 HG3 GLU 59 HG3 GLU 59 -12.688 -10.158 -3.456 478 H LEU 60 H LEU 60 -8.693 -7.207 -2.427 479 HA LEU 60 HA LEU 60 -10.501 -4.984 -1.918 480 HB2 LEU 60 HB2 LEU 60 -7.612 -5.401 -1.112 481 HB3 LEU 60 HB3 LEU 60 -8.606 -4.049 -0.616 482 HG LEU 60 HG LEU 60 -9.116 -6.935 0.113 483 HD11 LEU 60 HD11 LEU 60 -7.117 -6.033 1.192 484 HD12 LEU 60 HD12 LEU 60 -8.423 -6.258 2.355 485 HD13 LEU 60 HD13 LEU 60 -8.045 -4.643 1.755 486 HD21 LEU 60 HD21 LEU 60 -10.764 -6.006 1.648 487 HD22 LEU 60 HD22 LEU 60 -11.160 -5.622 -0.028 488 HD23 LEU 60 HD23 LEU 60 -10.451 -4.389 1.016 489 H ALA 61 H ALA 61 -7.083 -4.779 -2.709 490 HA ALA 61 HA ALA 61 -5.848 -3.471 -4.053 491 HB1 ALA 61 HB1 ALA 61 -6.652 -5.126 -5.672 492 HB2 ALA 61 HB2 ALA 61 -6.385 -3.552 -6.420 493 HB3 ALA 61 HB3 ALA 61 -8.026 -4.080 -6.052 494 H ILE 62 H ILE 62 -7.544 -1.978 -6.314 495 HA ILE 62 HA ILE 62 -7.799 0.453 -4.746 496 HB ILE 62 HB ILE 62 -7.929 0.091 -7.756 497 HG12 ILE 62 HG12 ILE 62 -5.707 1.549 -7.399 498 HG13 ILE 62 HG13 ILE 62 -5.683 0.660 -5.882 499 HG21 ILE 62 HG21 ILE 62 -9.160 2.050 -7.045 500 HG22 ILE 62 HG22 ILE 62 -7.674 2.512 -7.876 501 HG23 ILE 62 HG23 ILE 62 -7.766 2.609 -6.117 502 HD11 ILE 62 HD11 ILE 62 -4.320 -0.428 -7.565 503 HD12 ILE 62 HD12 ILE 62 -5.716 -0.547 -8.638 504 HD13 ILE 62 HD13 ILE 62 -5.695 -1.441 -7.119 505 H PHE 63 H PHE 63 -9.654 -0.004 -3.604 506 HA PHE 63 HA PHE 63 -12.098 -0.339 -5.182 507 HB2 PHE 63 HB2 PHE 63 -13.153 -1.389 -3.294 508 HB3 PHE 63 HB3 PHE 63 -11.620 -2.184 -3.598 509 HD1 PHE 63 HD2 PHE 63 -9.631 -1.469 -2.085 510 HD2 PHE 63 HD1 PHE 63 -13.717 -0.693 -1.184 511 HE1 PHE 63 HE2 PHE 63 -9.059 -1.202 0.286 512 HE2 PHE 63 HE1 PHE 63 -13.147 -0.432 1.194 513 HZ PHE 63 HZ PHE 63 -10.816 -0.686 1.929 514 H ALA 64 H ALA 64 -10.553 1.642 -2.732 515 HA ALA 64 HA ALA 64 -12.722 3.591 -3.053 516 HB1 ALA 64 HB1 ALA 64 -13.071 2.437 -0.917 517 HB2 ALA 64 HB2 ALA 64 -12.664 4.136 -0.680 518 HB3 ALA 64 HB3 ALA 64 -11.443 2.893 -0.407 519 H ALA 65 H ALA 65 -10.881 4.115 -4.637 520 HA ALA 65 HA ALA 65 -9.244 6.225 -3.381 521 HB1 ALA 65 HB1 ALA 65 -7.781 4.356 -3.969 522 HB2 ALA 65 HB2 ALA 65 -7.449 5.776 -4.962 523 HB3 ALA 65 HB3 ALA 65 -8.366 4.426 -5.632 524 H ASP 66 H ASP 66 -11.864 6.018 -4.840 525 HA ASP 66 HA ASP 66 -11.296 7.495 -7.291 526 HB2 ASP 66 HB2 ASP 66 -13.710 7.127 -7.788 527 HB3 ASP 66 HB3 ASP 66 -12.798 5.638 -7.575 528 H GLU 67 H GLU 67 -11.377 8.425 -4.316 529 HA GLU 67 HA GLU 67 -13.006 10.824 -4.794 530 HB2 GLU 67 HB2 GLU 67 -12.525 9.174 -2.420 531 HB3 GLU 67 HB3 GLU 67 -12.362 10.899 -2.126 532 HG2 GLU 67 HG2 GLU 67 -14.758 9.650 -3.439 533 HG3 GLU 67 HG3 GLU 67 -14.635 9.971 -1.710 534 H VAL 68 H VAL 68 -9.976 9.957 -5.300 535 HA VAL 68 HA VAL 68 -8.823 12.471 -4.273 536 HB VAL 68 HB VAL 68 -6.602 11.509 -4.738 537 HG11 VAL 68 HG11 VAL 68 -8.318 9.803 -2.951 538 HG12 VAL 68 HG12 VAL 68 -7.527 11.316 -2.512 539 HG13 VAL 68 HG13 VAL 68 -6.557 9.897 -2.906 540 HG21 VAL 68 HG21 VAL 68 -7.168 9.955 -6.516 541 HG22 VAL 68 HG22 VAL 68 -8.098 8.970 -5.387 542 HG23 VAL 68 HG23 VAL 68 -6.348 9.113 -5.201 543 H LEU 69 H LEU 69 -10.454 11.750 -6.812 544 HA LEU 69 HA LEU 69 -8.575 12.309 -8.934 545 HB2 LEU 69 HB2 LEU 69 -11.487 11.624 -8.843 546 HB3 LEU 69 HB3 LEU 69 -10.806 12.325 -10.295 547 HG LEU 69 HG LEU 69 -9.136 10.408 -10.281 548 HD11 LEU 69 HD11 LEU 69 -11.106 9.228 -8.341 549 HD12 LEU 69 HD12 LEU 69 -9.432 9.664 -7.989 550 HD13 LEU 69 HD13 LEU 69 -9.785 8.372 -9.137 551 HD21 LEU 69 HD21 LEU 69 -11.010 10.554 -11.825 552 HD22 LEU 69 HD22 LEU 69 -12.060 9.789 -10.634 553 HD23 LEU 69 HD23 LEU 69 -10.719 8.885 -11.335 554 H GLU 70 H GLU 70 -7.851 14.298 -8.422 555 HA GLU 70 HA GLU 70 -7.684 16.526 -8.211 556 HB2 GLU 70 HB2 GLU 70 -9.921 16.462 -10.243 557 HB3 GLU 70 HB3 GLU 70 -8.963 17.884 -9.847 558 HG2 GLU 70 HG2 GLU 70 -6.930 16.596 -10.536 559 HG3 GLU 70 HG3 GLU 70 -8.006 15.329 -11.122 560 H HIS 71 H HIS 71 -8.816 15.582 -6.103 561 HA HIS 71 HA HIS 71 -11.394 16.655 -5.452 562 HB2 HIS 71 HB2 HIS 71 -10.292 14.564 -4.482 563 HB3 HIS 71 HB3 HIS 71 -9.282 15.645 -3.538 564 HD1 HIS 71 HD1 HIS 71 -10.141 16.148 -1.274 565 HD2 HIS 71 HD2 HIS 71 -13.171 15.000 -3.882 566 HE1 HIS 71 HE1 HIS 71 -12.219 15.983 0.130 567 HE2 HIS 71 HE2 HIS 71 -13.985 15.092 -1.435 568 H HIS 72 H HIS 72 -8.034 17.447 -4.660 569 HA HIS 72 HA HIS 72 -8.806 20.255 -4.601 570 HB2 HIS 72 HB2 HIS 72 -8.684 19.488 -2.201 571 HB3 HIS 72 HB3 HIS 72 -6.997 19.069 -2.471 572 HD1 HIS 72 HD1 HIS 72 -9.287 22.010 -2.055 573 HD2 HIS 72 HD2 HIS 72 -5.227 21.240 -2.499 574 HE1 HIS 72 HE1 HIS 72 -8.123 24.165 -1.509 575 HE2 HIS 72 HE2 HIS 72 -5.673 23.596 -1.562 576 H HIS 73 H HIS 73 -7.646 21.156 -6.128 577 HA HIS 73 HA HIS 73 -4.831 20.538 -6.413 578 HB2 HIS 73 HB2 HIS 73 -4.888 19.912 -8.741 579 HB3 HIS 73 HB3 HIS 73 -5.982 18.853 -7.871 580 HD1 HIS 73 HD1 HIS 73 -5.773 20.474 -10.955 581 HD2 HIS 73 HD2 HIS 73 -8.833 20.093 -8.167 582 HE1 HIS 73 HE1 HIS 73 -7.893 20.960 -12.209 583 HE2 HIS 73 HE2 HIS 73 -9.729 20.513 -10.553 584 H HIS 74 H HIS 74 -3.654 22.162 -7.387 585 HA HIS 74 HA HIS 74 -5.119 24.385 -8.584 586 HB2 HIS 74 HB2 HIS 74 -4.785 25.022 -6.221 587 HB3 HIS 74 HB3 HIS 74 -3.056 24.731 -6.375 588 HD1 HIS 74 HD1 HIS 74 -5.670 26.970 -8.064 589 HD2 HIS 74 HD2 HIS 74 -1.690 27.016 -6.866 590 HE1 HIS 74 HE1 HIS 74 -4.826 29.276 -8.583 591 HE2 HIS 74 HE2 HIS 74 -2.377 29.212 -8.023 592 H HIS 75 H HIS 75 -1.855 23.321 -7.666 593 HA HIS 75 HA HIS 75 0.156 23.366 -8.643 594 HB2 HIS 75 HB2 HIS 75 -0.938 21.765 -10.219 595 HB3 HIS 75 HB3 HIS 75 -1.311 23.112 -11.281 596 HD1 HIS 75 HD1 HIS 75 1.603 21.099 -9.988 597 HD2 HIS 75 HD2 HIS 75 0.747 23.893 -12.939 598 HE1 HIS 75 HE1 HIS 75 3.642 21.187 -11.449 599 HE2 HIS 75 HE2 HIS 75 3.042 22.780 -13.303 600 H HIS 76 H HIS 76 0.809 25.340 -8.058 601 HA HIS 76 HA HIS 76 0.108 27.683 -9.597 602 HB2 HIS 76 HB2 HIS 76 1.509 28.942 -8.005 603 HB3 HIS 76 HB3 HIS 76 0.338 27.934 -7.183 604 HD1 HIS 76 HD1 HIS 76 4.022 28.403 -7.687 605 HD2 HIS 76 HD2 HIS 76 1.455 25.918 -5.551 606 HE1 HIS 76 HE1 HIS 76 5.464 27.223 -6.003 607 HE2 HIS 76 HE2 HIS 76 3.851 25.904 -4.597 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -13.277 -9.371 3.801 2 H2 MET 1 H2 MET 1 -13.278 -8.658 5.337 3 H3 MET 1 H3 MET 1 -11.814 -9.120 4.623 4 HA MET 1 HA MET 1 -12.139 -7.503 2.867 5 HB2 MET 1 HB2 MET 1 -14.596 -7.463 2.949 6 HB3 MET 1 HB3 MET 1 -14.538 -6.702 4.533 7 HG2 MET 1 HG2 MET 1 -15.042 -5.113 2.735 8 HG3 MET 1 HG3 MET 1 -13.554 -4.713 3.589 9 HE1 MET 1 HE1 MET 1 -12.740 -3.520 -0.034 10 HE2 MET 1 HE2 MET 1 -12.849 -3.067 1.671 11 HE3 MET 1 HE3 MET 1 -14.315 -3.433 0.759 12 H ILE 2 H ILE 2 -10.718 -5.940 3.114 13 HA ILE 2 HA ILE 2 -9.809 -5.229 5.772 14 HB ILE 2 HB ILE 2 -8.210 -5.820 3.936 15 HG12 ILE 2 HG12 ILE 2 -7.875 -3.002 4.989 16 HG13 ILE 2 HG13 ILE 2 -7.482 -4.467 5.876 17 HG21 ILE 2 HG21 ILE 2 -9.345 -4.818 2.049 18 HG22 ILE 2 HG22 ILE 2 -7.710 -4.171 2.182 19 HG23 ILE 2 HG23 ILE 2 -9.084 -3.205 2.717 20 HD11 ILE 2 HD11 ILE 2 -6.169 -3.515 3.348 21 HD12 ILE 2 HD12 ILE 2 -5.777 -5.000 4.214 22 HD13 ILE 2 HD13 ILE 2 -5.495 -3.433 4.975 23 H ARG 3 H ARG 3 -9.738 -3.082 6.575 24 HA ARG 3 HA ARG 3 -11.357 -1.154 5.080 25 HB2 ARG 3 HB2 ARG 3 -11.716 0.074 7.224 26 HB3 ARG 3 HB3 ARG 3 -12.452 -1.512 7.169 27 HG2 ARG 3 HG2 ARG 3 -9.797 -1.109 8.493 28 HG3 ARG 3 HG3 ARG 3 -11.295 -0.721 9.331 29 HD2 ARG 3 HD2 ARG 3 -10.578 -3.401 8.148 30 HD3 ARG 3 HD3 ARG 3 -10.481 -2.979 9.860 31 HE ARG 3 HE ARG 3 -12.973 -3.197 8.294 32 HH11 ARG 3 HH11 ARG 3 -11.280 -3.236 11.365 33 HH12 ARG 3 HH12 ARG 3 -12.692 -3.661 12.283 34 HH21 ARG 3 HH21 ARG 3 -14.824 -3.753 9.492 35 HH22 ARG 3 HH22 ARG 3 -14.711 -3.961 11.213 36 H LEU 4 H LEU 4 -9.939 -0.244 3.820 37 HA LEU 4 HA LEU 4 -7.631 1.110 5.030 38 HB2 LEU 4 HB2 LEU 4 -8.312 0.404 2.180 39 HB3 LEU 4 HB3 LEU 4 -7.003 1.492 2.597 40 HG LEU 4 HG LEU 4 -7.112 -1.292 3.711 41 HD11 LEU 4 HD11 LEU 4 -5.688 -2.003 1.873 42 HD12 LEU 4 HD12 LEU 4 -5.879 -0.425 1.105 43 HD13 LEU 4 HD13 LEU 4 -7.273 -1.491 1.294 44 HD21 LEU 4 HD21 LEU 4 -5.574 0.297 4.742 45 HD22 LEU 4 HD22 LEU 4 -4.871 0.653 3.164 46 HD23 LEU 4 HD23 LEU 4 -4.697 -0.957 3.864 47 H THR 5 H THR 5 -7.333 3.354 4.652 48 HA THR 5 HA THR 5 -9.770 4.801 4.131 49 HB THR 5 HB THR 5 -8.420 6.845 4.474 50 HG1 THR 5 HG1 THR 5 -6.262 5.083 5.075 51 HG21 THR 5 HG21 THR 5 -9.455 5.761 6.400 52 HG22 THR 5 HG22 THR 5 -7.905 6.476 6.844 53 HG23 THR 5 HG23 THR 5 -8.035 4.734 6.600 54 H ILE 6 H ILE 6 -9.742 6.639 2.563 55 HA ILE 6 HA ILE 6 -9.400 5.540 -0.026 56 HB ILE 6 HB ILE 6 -10.000 8.423 0.671 57 HG12 ILE 6 HG12 ILE 6 -11.598 7.058 1.853 58 HG13 ILE 6 HG13 ILE 6 -12.405 7.775 0.466 59 HG21 ILE 6 HG21 ILE 6 -9.466 8.131 -1.668 60 HG22 ILE 6 HG22 ILE 6 -11.186 8.469 -1.476 61 HG23 ILE 6 HG23 ILE 6 -10.642 6.823 -1.800 62 HD11 ILE 6 HD11 ILE 6 -11.422 4.938 0.679 63 HD12 ILE 6 HD12 ILE 6 -12.208 5.650 -0.729 64 HD13 ILE 6 HD13 ILE 6 -13.099 5.478 0.784 65 H GLU 7 H GLU 7 -7.476 7.711 1.907 66 HA GLU 7 HA GLU 7 -5.696 8.612 -0.125 67 HB2 GLU 7 HB2 GLU 7 -6.148 9.523 2.278 68 HB3 GLU 7 HB3 GLU 7 -4.947 8.338 2.766 69 HG2 GLU 7 HG2 GLU 7 -3.887 10.463 2.511 70 HG3 GLU 7 HG3 GLU 7 -3.330 9.383 1.236 71 H GLU 8 H GLU 8 -5.709 5.849 2.091 72 HA GLU 8 HA GLU 8 -3.062 4.959 1.487 73 HB2 GLU 8 HB2 GLU 8 -5.384 3.598 2.828 74 HB3 GLU 8 HB3 GLU 8 -3.814 2.836 2.611 75 HG2 GLU 8 HG2 GLU 8 -2.785 4.630 3.914 76 HG3 GLU 8 HG3 GLU 8 -4.380 5.348 4.157 77 H THR 9 H THR 9 -6.270 4.107 0.271 78 HA THR 9 HA THR 9 -5.306 1.929 -1.325 79 HB THR 9 HB THR 9 -7.922 3.343 -1.816 80 HG1 THR 9 HG1 THR 9 -7.409 2.679 0.517 81 HG21 THR 9 HG21 THR 9 -8.661 1.083 -2.417 82 HG22 THR 9 HG22 THR 9 -7.061 0.450 -2.025 83 HG23 THR 9 HG23 THR 9 -7.262 1.564 -3.377 84 H ASN 10 H ASN 10 -5.808 5.383 -1.824 85 HA ASN 10 HA ASN 10 -5.296 5.403 -4.619 86 HB2 ASN 10 HB2 ASN 10 -6.257 7.351 -3.413 87 HB3 ASN 10 HB3 ASN 10 -4.706 7.595 -2.615 88 HD21 ASN 10 HD21 ASN 10 -6.506 7.971 -5.540 89 HD22 ASN 10 HD22 ASN 10 -5.314 8.874 -6.400 90 H LEU 11 H LEU 11 -3.244 5.597 -1.764 91 HA LEU 11 HA LEU 11 -0.734 5.961 -2.949 92 HB2 LEU 11 HB2 LEU 11 -0.940 6.281 -0.644 93 HB3 LEU 11 HB3 LEU 11 -1.743 4.748 -0.405 94 HG LEU 11 HG LEU 11 0.439 3.613 -0.843 95 HD11 LEU 11 HD11 LEU 11 1.551 5.376 -2.095 96 HD12 LEU 11 HD12 LEU 11 2.483 4.925 -0.667 97 HD13 LEU 11 HD13 LEU 11 1.531 6.410 -0.667 98 HD21 LEU 11 HD21 LEU 11 1.338 4.157 1.356 99 HD22 LEU 11 HD22 LEU 11 -0.420 3.992 1.387 100 HD23 LEU 11 HD23 LEU 11 0.319 5.596 1.409 101 H LEU 12 H LEU 12 -2.564 3.010 -2.287 102 HA LEU 12 HA LEU 12 -0.640 1.161 -3.209 103 HB2 LEU 12 HB2 LEU 12 -3.648 0.936 -3.111 104 HB3 LEU 12 HB3 LEU 12 -2.552 -0.398 -3.413 105 HG LEU 12 HG LEU 12 -2.592 1.222 -0.866 106 HD11 LEU 12 HD11 LEU 12 -3.774 -1.485 -1.460 107 HD12 LEU 12 HD12 LEU 12 -4.674 -0.001 -1.138 108 HD13 LEU 12 HD13 LEU 12 -3.682 -0.724 0.130 109 HD21 LEU 12 HD21 LEU 12 -1.246 -0.619 0.029 110 HD22 LEU 12 HD22 LEU 12 -0.439 0.179 -1.322 111 HD23 LEU 12 HD23 LEU 12 -1.231 -1.378 -1.565 112 H SER 13 H SER 13 -3.089 3.061 -4.851 113 HA SER 13 HA SER 13 -2.910 1.766 -7.382 114 HB2 SER 13 HB2 SER 13 -4.866 3.123 -6.615 115 HB3 SER 13 HB3 SER 13 -3.875 4.572 -6.779 116 HG SER 13 HG SER 13 -3.572 3.483 -9.045 117 H ILE 14 H ILE 14 -1.099 4.360 -5.840 118 HA ILE 14 HA ILE 14 0.153 5.468 -8.129 119 HB ILE 14 HB ILE 14 1.127 5.384 -5.256 120 HG12 ILE 14 HG12 ILE 14 -0.255 7.655 -6.685 121 HG13 ILE 14 HG13 ILE 14 -1.127 6.459 -5.734 122 HG21 ILE 14 HG21 ILE 14 2.960 5.913 -6.796 123 HG22 ILE 14 HG22 ILE 14 2.515 7.324 -5.836 124 HG23 ILE 14 HG23 ILE 14 1.991 7.201 -7.517 125 HD11 ILE 14 HD11 ILE 14 -0.745 8.486 -4.469 126 HD12 ILE 14 HD12 ILE 14 0.995 8.328 -4.712 127 HD13 ILE 14 HD13 ILE 14 0.125 7.129 -3.753 128 H TYR 15 H TYR 15 0.991 2.840 -5.927 129 HA TYR 15 HA TYR 15 3.367 2.244 -7.558 130 HB2 TYR 15 HB2 TYR 15 2.804 1.573 -4.655 131 HB3 TYR 15 HB3 TYR 15 4.273 1.149 -5.531 132 HD1 TYR 15 HD2 TYR 15 5.607 3.133 -6.557 133 HD2 TYR 15 HD1 TYR 15 2.705 3.578 -3.482 134 HE1 TYR 15 HE2 TYR 15 6.571 5.316 -5.973 135 HE2 TYR 15 HE1 TYR 15 3.658 5.762 -2.892 136 HH TYR 15 HH TYR 15 5.712 6.991 -3.112 137 H ASN 16 H ASN 16 0.806 1.386 -8.377 138 HA ASN 16 HA ASN 16 0.320 -1.275 -7.368 139 HB2 ASN 16 HB2 ASN 16 -1.446 0.490 -8.065 140 HB3 ASN 16 HB3 ASN 16 -1.124 -0.057 -9.706 141 HD21 ASN 16 HD21 ASN 16 -3.542 -0.236 -8.079 142 HD22 ASN 16 HD22 ASN 16 -3.953 -1.913 -8.005 143 H GLU 17 H GLU 17 1.814 -2.675 -7.992 144 HA GLU 17 HA GLU 17 1.615 -3.500 -10.770 145 HB2 GLU 17 HB2 GLU 17 4.084 -4.116 -10.718 146 HB3 GLU 17 HB3 GLU 17 3.703 -2.410 -10.893 147 HG2 GLU 17 HG2 GLU 17 4.316 -1.939 -8.674 148 HG3 GLU 17 HG3 GLU 17 4.341 -3.646 -8.233 149 H GLY 18 H GLY 18 0.917 -5.491 -10.830 150 HA2 GLY 18 HA2 GLY 18 1.000 -7.788 -10.478 151 HA3 GLY 18 HA3 GLY 18 2.095 -7.524 -9.125 152 H GLY 19 H GLY 19 1.309 -7.284 -7.115 153 HA2 GLY 19 HA2 GLY 19 -1.478 -6.857 -6.572 154 HA3 GLY 19 HA3 GLY 19 -0.945 -8.508 -6.253 155 H LYS 20 H LYS 20 -0.715 -8.726 -4.132 156 HA LYS 20 HA LYS 20 -0.238 -6.611 -2.318 157 HB2 LYS 20 HB2 LYS 20 -1.479 -8.626 -1.701 158 HB3 LYS 20 HB3 LYS 20 -0.072 -9.629 -1.995 159 HG2 LYS 20 HG2 LYS 20 0.069 -7.512 0.117 160 HG3 LYS 20 HG3 LYS 20 -0.802 -9.012 0.443 161 HD2 LYS 20 HD2 LYS 20 1.209 -10.292 -0.121 162 HD3 LYS 20 HD3 LYS 20 2.070 -8.804 -0.466 163 HE2 LYS 20 HE2 LYS 20 2.763 -9.399 1.671 164 HE3 LYS 20 HE3 LYS 20 1.560 -8.137 1.923 165 HZ1 LYS 20 HZ1 LYS 20 -0.053 -9.779 2.501 166 HZ2 LYS 20 HZ2 LYS 20 1.337 -10.026 3.443 167 HZ3 LYS 20 HZ3 LYS 20 1.015 -11.042 2.127 168 H ARG 21 H ARG 21 1.900 -9.127 -3.633 169 HA ARG 21 HA ARG 21 4.122 -8.453 -1.981 170 HB2 ARG 21 HB2 ARG 21 3.483 -10.578 -3.581 171 HB3 ARG 21 HB3 ARG 21 4.740 -9.781 -4.513 172 HG2 ARG 21 HG2 ARG 21 5.893 -11.310 -3.207 173 HG3 ARG 21 HG3 ARG 21 6.095 -9.781 -2.349 174 HD2 ARG 21 HD2 ARG 21 5.563 -11.519 -0.762 175 HD3 ARG 21 HD3 ARG 21 4.202 -10.401 -0.879 176 HE ARG 21 HE ARG 21 3.840 -12.529 -2.690 177 HH11 ARG 21 HH11 ARG 21 3.740 -11.914 0.771 178 HH12 ARG 21 HH12 ARG 21 2.620 -13.209 1.080 179 HH21 ARG 21 HH21 ARG 21 2.388 -14.200 -2.263 180 HH22 ARG 21 HH22 ARG 21 1.836 -14.484 -0.641 181 H GLY 22 H GLY 22 3.371 -7.863 -5.396 182 HA2 GLY 22 HA2 GLY 22 5.670 -6.352 -6.003 183 HA3 GLY 22 HA3 GLY 22 4.172 -6.348 -6.909 184 H LEU 23 H LEU 23 2.547 -5.362 -4.695 185 HA LEU 23 HA LEU 23 2.898 -2.583 -4.769 186 HB2 LEU 23 HB2 LEU 23 1.135 -4.439 -3.489 187 HB3 LEU 23 HB3 LEU 23 1.667 -3.265 -2.301 188 HG LEU 23 HG LEU 23 -0.388 -2.488 -3.255 189 HD11 LEU 23 HD11 LEU 23 1.270 -0.778 -2.768 190 HD12 LEU 23 HD12 LEU 23 0.281 -0.319 -4.155 191 HD13 LEU 23 HD13 LEU 23 1.919 -0.927 -4.399 192 HD21 LEU 23 HD21 LEU 23 -0.650 -2.035 -5.643 193 HD22 LEU 23 HD22 LEU 23 -0.350 -3.747 -5.340 194 HD23 LEU 23 HD23 LEU 23 0.947 -2.719 -5.951 195 H MET 24 H MET 24 3.949 -4.953 -2.352 196 HA MET 24 HA MET 24 5.149 -3.047 -0.618 197 HB2 MET 24 HB2 MET 24 5.479 -6.032 -0.878 198 HB3 MET 24 HB3 MET 24 6.368 -5.080 0.303 199 HG2 MET 24 HG2 MET 24 4.197 -4.291 1.207 200 HG3 MET 24 HG3 MET 24 3.391 -5.400 0.101 201 HE1 MET 24 HE1 MET 24 3.290 -5.203 3.450 202 HE2 MET 24 HE2 MET 24 3.068 -6.926 3.774 203 HE3 MET 24 HE3 MET 24 2.192 -6.159 2.451 204 H GLU 25 H GLU 25 6.382 -5.016 -3.306 205 HA GLU 25 HA GLU 25 9.106 -4.423 -3.014 206 HB2 GLU 25 HB2 GLU 25 7.501 -5.086 -5.479 207 HB3 GLU 25 HB3 GLU 25 9.255 -5.019 -5.433 208 HG2 GLU 25 HG2 GLU 25 7.594 -6.861 -3.732 209 HG3 GLU 25 HG3 GLU 25 8.305 -7.300 -5.284 210 H ASN 26 H ASN 26 6.592 -2.781 -4.914 211 HA ASN 26 HA ASN 26 8.312 -0.835 -6.074 212 HB2 ASN 26 HB2 ASN 26 5.947 -1.589 -6.820 213 HB3 ASN 26 HB3 ASN 26 5.358 -0.444 -5.624 214 HD21 ASN 26 HD21 ASN 26 4.910 -0.382 -8.451 215 HD22 ASN 26 HD22 ASN 26 5.571 1.104 -9.036 216 H ILE 27 H ILE 27 6.167 -0.814 -3.234 217 HA ILE 27 HA ILE 27 6.545 1.898 -2.568 218 HB ILE 27 HB ILE 27 5.509 -0.464 -1.030 219 HG12 ILE 27 HG12 ILE 27 4.294 2.175 -1.880 220 HG13 ILE 27 HG13 ILE 27 4.110 0.647 -2.729 221 HG21 ILE 27 HG21 ILE 27 6.706 0.829 0.658 222 HG22 ILE 27 HG22 ILE 27 4.961 0.970 0.880 223 HG23 ILE 27 HG23 ILE 27 5.865 2.293 0.145 224 HD11 ILE 27 HD11 ILE 27 2.127 1.189 -1.441 225 HD12 ILE 27 HD12 ILE 27 3.090 1.268 0.036 226 HD13 ILE 27 HD13 ILE 27 2.901 -0.267 -0.812 227 H ASN 28 H ASN 28 8.257 -1.023 -1.364 228 HA ASN 28 HA ASN 28 9.842 0.470 0.476 229 HB2 ASN 28 HB2 ASN 28 9.967 -2.358 -0.498 230 HB3 ASN 28 HB3 ASN 28 11.285 -1.689 0.465 231 HD21 ASN 28 HD21 ASN 28 8.057 -2.864 0.470 232 HD22 ASN 28 HD22 ASN 28 7.803 -2.759 2.181 233 H ALA 29 H ALA 29 10.325 -0.479 -2.866 234 HA ALA 29 HA ALA 29 13.085 0.265 -2.971 235 HB1 ALA 29 HB1 ALA 29 11.082 0.063 -5.219 236 HB2 ALA 29 HB2 ALA 29 12.100 -1.250 -4.623 237 HB3 ALA 29 HB3 ALA 29 12.832 0.159 -5.393 238 H ALA 30 H ALA 30 10.048 1.966 -3.379 239 HA ALA 30 HA ALA 30 11.424 4.340 -4.359 240 HB1 ALA 30 HB1 ALA 30 9.404 3.602 -5.538 241 HB2 ALA 30 HB2 ALA 30 9.223 5.223 -4.863 242 HB3 ALA 30 HB3 ALA 30 8.466 3.848 -4.063 243 H LEU 31 H LEU 31 11.002 3.184 -1.364 244 HA LEU 31 HA LEU 31 9.770 5.238 0.090 245 HB2 LEU 31 HB2 LEU 31 11.805 3.192 0.890 246 HB3 LEU 31 HB3 LEU 31 11.253 4.408 2.022 247 HG LEU 31 HG LEU 31 9.489 2.376 0.649 248 HD11 LEU 31 HD11 LEU 31 9.317 1.371 2.864 249 HD12 LEU 31 HD12 LEU 31 10.481 2.541 3.488 250 HD13 LEU 31 HD13 LEU 31 10.979 1.359 2.276 251 HD21 LEU 31 HD21 LEU 31 7.770 3.141 2.204 252 HD22 LEU 31 HD22 LEU 31 8.308 4.451 1.153 253 HD23 LEU 31 HD23 LEU 31 8.871 4.373 2.822 254 HA PRO 32 HA PRO 32 14.137 7.426 0.616 255 HB2 PRO 32 HB2 PRO 32 15.501 6.604 -1.883 256 HB3 PRO 32 HB3 PRO 32 16.155 6.828 -0.258 257 HG2 PRO 32 HG2 PRO 32 15.833 4.392 -1.254 258 HG3 PRO 32 HG3 PRO 32 15.472 4.731 0.452 259 HD2 PRO 32 HD2 PRO 32 13.587 4.450 -1.864 260 HD3 PRO 32 HD3 PRO 32 13.462 3.786 -0.221 261 H PHE 33 H PHE 33 12.385 6.944 -2.356 262 HA PHE 33 HA PHE 33 13.069 9.625 -3.343 263 HB2 PHE 33 HB2 PHE 33 11.242 7.639 -4.698 264 HB3 PHE 33 HB3 PHE 33 12.101 8.993 -5.419 265 HD1 PHE 33 HD2 PHE 33 14.777 8.802 -5.090 266 HD2 PHE 33 HD1 PHE 33 12.020 5.566 -5.146 267 HE1 PHE 33 HE2 PHE 33 16.588 7.276 -5.743 268 HE2 PHE 33 HE1 PHE 33 13.832 4.034 -5.797 269 HZ PHE 33 HZ PHE 33 16.117 4.890 -6.101 270 H MET 34 H MET 34 10.828 8.162 -1.378 271 HA MET 34 HA MET 34 8.431 9.451 -2.378 272 HB2 MET 34 HB2 MET 34 8.811 7.077 -1.247 273 HB3 MET 34 HB3 MET 34 8.555 7.998 0.225 274 HG2 MET 34 HG2 MET 34 6.389 8.731 -0.602 275 HG3 MET 34 HG3 MET 34 6.657 7.828 -2.092 276 HE1 MET 34 HE1 MET 34 6.651 5.145 -2.236 277 HE2 MET 34 HE2 MET 34 6.614 4.111 -0.806 278 HE3 MET 34 HE3 MET 34 8.007 5.153 -1.108 279 H ASP 35 H ASP 35 7.368 11.118 -1.411 280 HA ASP 35 HA ASP 35 8.614 12.937 0.347 281 HB2 ASP 35 HB2 ASP 35 6.669 13.409 -1.199 282 HB3 ASP 35 HB3 ASP 35 5.640 12.538 -0.074 283 H GLU 36 H GLU 36 8.276 13.309 2.604 284 HA GLU 36 HA GLU 36 8.365 10.979 4.137 285 HB2 GLU 36 HB2 GLU 36 8.425 12.433 6.096 286 HB3 GLU 36 HB3 GLU 36 9.499 12.994 4.825 287 HG2 GLU 36 HG2 GLU 36 7.955 14.744 4.222 288 HG3 GLU 36 HG3 GLU 36 6.765 14.130 5.371 289 H ASP 37 H ASP 37 5.626 13.044 3.440 290 HA ASP 37 HA ASP 37 3.903 12.070 5.494 291 HB2 ASP 37 HB2 ASP 37 3.491 14.212 4.417 292 HB3 ASP 37 HB3 ASP 37 3.316 13.426 2.850 293 H MET 38 H MET 38 4.364 11.287 2.095 294 HA MET 38 HA MET 38 2.390 9.224 2.013 295 HB2 MET 38 HB2 MET 38 3.090 10.557 0.028 296 HB3 MET 38 HB3 MET 38 4.668 9.786 0.096 297 HG2 MET 38 HG2 MET 38 3.621 7.616 -0.308 298 HG3 MET 38 HG3 MET 38 2.044 8.393 -0.390 299 HE1 MET 38 HE1 MET 38 2.120 10.345 -3.689 300 HE2 MET 38 HE2 MET 38 2.327 10.944 -2.039 301 HE3 MET 38 HE3 MET 38 1.134 9.690 -2.382 302 H ARG 39 H ARG 39 5.807 9.343 2.742 303 HA ARG 39 HA ARG 39 6.442 6.594 2.413 304 HB2 ARG 39 HB2 ARG 39 8.176 8.313 2.415 305 HB3 ARG 39 HB3 ARG 39 7.766 8.762 4.062 306 HG2 ARG 39 HG2 ARG 39 8.402 6.382 4.700 307 HG3 ARG 39 HG3 ARG 39 9.121 6.265 3.093 308 HD2 ARG 39 HD2 ARG 39 10.656 8.013 3.565 309 HD3 ARG 39 HD3 ARG 39 9.801 8.449 5.045 310 HE ARG 39 HE ARG 39 11.167 5.852 4.743 311 HH11 ARG 39 HH11 ARG 39 10.659 8.837 6.521 312 HH12 ARG 39 HH12 ARG 39 11.543 8.306 7.917 313 HH21 ARG 39 HH21 ARG 39 12.311 5.152 6.574 314 HH22 ARG 39 HH22 ARG 39 12.498 6.207 7.943 315 H GLU 40 H GLU 40 5.569 8.530 5.273 316 HA GLU 40 HA GLU 40 5.727 6.360 7.107 317 HB2 GLU 40 HB2 GLU 40 4.324 9.027 7.296 318 HB3 GLU 40 HB3 GLU 40 4.485 7.895 8.633 319 HG2 GLU 40 HG2 GLU 40 6.915 8.074 8.486 320 HG3 GLU 40 HG3 GLU 40 6.741 9.221 7.155 321 H LEU 41 H LEU 41 3.174 7.706 5.127 322 HA LEU 41 HA LEU 41 1.017 6.229 6.225 323 HB2 LEU 41 HB2 LEU 41 0.796 8.254 4.794 324 HB3 LEU 41 HB3 LEU 41 1.362 7.321 3.423 325 HG LEU 41 HG LEU 41 -0.636 5.832 3.710 326 HD11 LEU 41 HD11 LEU 41 -2.521 6.660 5.014 327 HD12 LEU 41 HD12 LEU 41 -1.530 7.990 5.616 328 HD13 LEU 41 HD13 LEU 41 -1.128 6.327 6.046 329 HD21 LEU 41 HD21 LEU 41 -0.565 7.585 2.022 330 HD22 LEU 41 HD22 LEU 41 -1.179 8.752 3.195 331 HD23 LEU 41 HD23 LEU 41 -2.190 7.402 2.677 332 H ALA 42 H ALA 42 3.345 5.623 3.648 333 HA ALA 42 HA ALA 42 2.172 3.403 2.446 334 HB1 ALA 42 HB1 ALA 42 5.100 4.063 2.622 335 HB2 ALA 42 HB2 ALA 42 3.965 4.719 1.440 336 HB3 ALA 42 HB3 ALA 42 4.335 2.993 1.449 337 H LYS 43 H LYS 43 4.583 3.520 5.056 338 HA LYS 43 HA LYS 43 4.912 0.717 5.270 339 HB2 LYS 43 HB2 LYS 43 5.469 2.977 7.176 340 HB3 LYS 43 HB3 LYS 43 5.787 1.300 7.593 341 HG2 LYS 43 HG2 LYS 43 7.313 1.118 5.685 342 HG3 LYS 43 HG3 LYS 43 7.002 2.810 5.286 343 HD2 LYS 43 HD2 LYS 43 7.942 3.524 7.386 344 HD3 LYS 43 HD3 LYS 43 8.116 1.852 7.917 345 HE2 LYS 43 HE2 LYS 43 9.502 2.956 5.484 346 HE3 LYS 43 HE3 LYS 43 10.218 2.980 7.096 347 HZ1 LYS 43 HZ1 LYS 43 10.950 1.059 5.822 348 HZ2 LYS 43 HZ2 LYS 43 9.343 0.548 5.632 349 HZ3 LYS 43 HZ3 LYS 43 10.043 0.574 7.171 350 H ARG 44 H ARG 44 2.567 2.922 6.653 351 HA ARG 44 HA ARG 44 1.531 1.039 8.549 352 HB2 ARG 44 HB2 ARG 44 0.595 3.716 7.559 353 HB3 ARG 44 HB3 ARG 44 -0.393 2.737 8.638 354 HG2 ARG 44 HG2 ARG 44 1.356 2.758 10.311 355 HG3 ARG 44 HG3 ARG 44 2.414 3.656 9.221 356 HD2 ARG 44 HD2 ARG 44 -0.270 4.685 10.090 357 HD3 ARG 44 HD3 ARG 44 1.204 4.988 11.008 358 HE ARG 44 HE ARG 44 2.005 5.920 8.732 359 HH11 ARG 44 HH11 ARG 44 -1.256 6.214 9.981 360 HH12 ARG 44 HH12 ARG 44 -1.527 7.768 9.248 361 HH21 ARG 44 HH21 ARG 44 1.655 7.946 7.795 362 HH22 ARG 44 HH22 ARG 44 0.130 8.747 7.988 363 H THR 45 H THR 45 0.719 2.003 5.260 364 HA THR 45 HA THR 45 -1.658 0.453 5.044 365 HB THR 45 HB THR 45 0.169 1.228 2.763 366 HG1 THR 45 HG1 THR 45 -1.664 2.767 4.284 367 HG21 THR 45 HG21 THR 45 -1.916 1.318 1.488 368 HG22 THR 45 HG22 THR 45 -2.826 0.867 2.930 369 HG23 THR 45 HG23 THR 45 -1.693 -0.277 2.208 370 H LEU 46 H LEU 46 1.774 -0.201 4.548 371 HA LEU 46 HA LEU 46 1.502 -2.794 3.442 372 HB2 LEU 46 HB2 LEU 46 3.781 -1.678 5.068 373 HB3 LEU 46 HB3 LEU 46 3.829 -3.163 4.141 374 HG LEU 46 HG LEU 46 3.624 -0.354 3.078 375 HD11 LEU 46 HD11 LEU 46 5.725 -2.489 2.850 376 HD12 LEU 46 HD12 LEU 46 5.825 -1.007 3.801 377 HD13 LEU 46 HD13 LEU 46 5.763 -0.922 2.040 378 HD21 LEU 46 HD21 LEU 46 3.666 -1.320 0.842 379 HD22 LEU 46 HD22 LEU 46 2.225 -1.832 1.722 380 HD23 LEU 46 HD23 LEU 46 3.582 -2.942 1.529 381 H ALA 47 H ALA 47 1.480 -1.597 6.736 382 HA ALA 47 HA ALA 47 1.616 -4.154 7.997 383 HB1 ALA 47 HB1 ALA 47 2.200 -2.085 9.167 384 HB2 ALA 47 HB2 ALA 47 0.936 -2.975 10.015 385 HB3 ALA 47 HB3 ALA 47 0.520 -1.553 9.058 386 H LYS 48 H LYS 48 -0.900 -2.417 6.415 387 HA LYS 48 HA LYS 48 -3.057 -3.927 7.600 388 HB2 LYS 48 HB2 LYS 48 -2.829 -1.735 5.610 389 HB3 LYS 48 HB3 LYS 48 -4.242 -2.774 5.505 390 HG2 LYS 48 HG2 LYS 48 -5.212 -1.669 7.148 391 HG3 LYS 48 HG3 LYS 48 -3.857 -2.023 8.223 392 HD2 LYS 48 HD2 LYS 48 -2.683 -0.070 7.492 393 HD3 LYS 48 HD3 LYS 48 -3.884 0.237 6.231 394 HE2 LYS 48 HE2 LYS 48 -5.573 0.674 7.882 395 HE3 LYS 48 HE3 LYS 48 -4.474 0.221 9.185 396 HZ1 LYS 48 HZ1 LYS 48 -3.120 2.108 8.716 397 HZ2 LYS 48 HZ2 LYS 48 -4.718 2.646 8.861 398 HZ3 LYS 48 HZ3 LYS 48 -4.012 2.490 7.325 399 H ILE 49 H ILE 49 -1.195 -3.992 4.555 400 HA ILE 49 HA ILE 49 -2.853 -6.195 3.620 401 HB ILE 49 HB ILE 49 -1.338 -6.245 1.616 402 HG12 ILE 49 HG12 ILE 49 -0.354 -3.598 2.707 403 HG13 ILE 49 HG13 ILE 49 0.596 -5.078 2.675 404 HG21 ILE 49 HG21 ILE 49 -2.362 -4.247 0.622 405 HG22 ILE 49 HG22 ILE 49 -2.878 -3.743 2.234 406 HG23 ILE 49 HG23 ILE 49 -3.500 -5.240 1.534 407 HD11 ILE 49 HD11 ILE 49 0.507 -5.086 0.233 408 HD12 ILE 49 HD12 ILE 49 1.196 -3.584 0.851 409 HD13 ILE 49 HD13 ILE 49 -0.466 -3.613 0.264 410 H ALA 50 H ALA 50 -0.038 -5.886 5.469 411 HA ALA 50 HA ALA 50 1.382 -8.186 4.891 412 HB1 ALA 50 HB1 ALA 50 2.121 -6.454 6.473 413 HB2 ALA 50 HB2 ALA 50 2.279 -8.087 7.123 414 HB3 ALA 50 HB3 ALA 50 0.950 -7.054 7.649 415 HA PRO 51 HA PRO 51 -1.429 -10.934 7.620 416 HB2 PRO 51 HB2 PRO 51 -3.953 -9.617 8.163 417 HB3 PRO 51 HB3 PRO 51 -2.795 -10.307 9.298 418 HG2 PRO 51 HG2 PRO 51 -3.268 -7.641 9.068 419 HG3 PRO 51 HG3 PRO 51 -1.725 -8.321 9.614 420 HD2 PRO 51 HD2 PRO 51 -2.487 -7.243 6.932 421 HD3 PRO 51 HD3 PRO 51 -0.968 -7.064 7.835 422 H LEU 52 H LEU 52 -2.428 -9.110 4.964 423 HA LEU 52 HA LEU 52 -4.633 -10.869 4.237 424 HB2 LEU 52 HB2 LEU 52 -3.354 -8.651 2.637 425 HB3 LEU 52 HB3 LEU 52 -4.798 -9.529 2.195 426 HG LEU 52 HG LEU 52 -4.481 -7.509 4.405 427 HD11 LEU 52 HD11 LEU 52 -6.192 -7.636 1.927 428 HD12 LEU 52 HD12 LEU 52 -4.758 -6.637 2.155 429 HD13 LEU 52 HD13 LEU 52 -6.203 -6.338 3.121 430 HD21 LEU 52 HD21 LEU 52 -6.819 -7.889 4.956 431 HD22 LEU 52 HD22 LEU 52 -5.885 -9.365 5.205 432 HD23 LEU 52 HD23 LEU 52 -6.904 -9.196 3.776 433 H THR 53 H THR 53 -4.541 -12.339 2.618 434 HA THR 53 HA THR 53 -1.940 -13.158 1.679 435 HB THR 53 HB THR 53 -3.587 -14.872 2.314 436 HG1 THR 53 HG1 THR 53 -3.520 -16.035 0.163 437 HG21 THR 53 HG21 THR 53 -5.654 -13.773 1.632 438 HG22 THR 53 HG22 THR 53 -5.519 -15.366 0.889 439 HG23 THR 53 HG23 THR 53 -5.188 -13.918 -0.064 440 H GLU 54 H GLU 54 -1.609 -13.585 -0.637 441 HA GLU 54 HA GLU 54 -1.718 -11.234 -2.172 442 HB2 GLU 54 HB2 GLU 54 0.031 -12.927 -2.388 443 HB3 GLU 54 HB3 GLU 54 -1.137 -14.119 -2.926 444 HG2 GLU 54 HG2 GLU 54 0.195 -13.301 -4.774 445 HG3 GLU 54 HG3 GLU 54 -1.499 -12.855 -4.973 446 H ASN 55 H ASN 55 -3.690 -14.162 -2.207 447 HA ASN 55 HA ASN 55 -5.058 -13.645 -4.633 448 HB2 ASN 55 HB2 ASN 55 -5.636 -15.501 -2.333 449 HB3 ASN 55 HB3 ASN 55 -6.681 -15.400 -3.742 450 HD21 ASN 55 HD21 ASN 55 -6.322 -17.466 -4.388 451 HD22 ASN 55 HD22 ASN 55 -4.810 -18.034 -5.006 452 H GLU 56 H GLU 56 -5.760 -12.831 -1.279 453 HA GLU 56 HA GLU 56 -8.458 -12.021 -1.810 454 HB2 GLU 56 HB2 GLU 56 -7.767 -12.838 0.415 455 HB3 GLU 56 HB3 GLU 56 -6.723 -11.431 0.602 456 HG2 GLU 56 HG2 GLU 56 -8.584 -9.959 0.641 457 HG3 GLU 56 HG3 GLU 56 -9.692 -11.246 0.174 458 H TYR 57 H TYR 57 -5.335 -10.399 -1.648 459 HA TYR 57 HA TYR 57 -6.380 -7.756 -1.745 460 HB2 TYR 57 HB2 TYR 57 -4.090 -8.214 -0.960 461 HB3 TYR 57 HB3 TYR 57 -3.638 -8.754 -2.575 462 HD1 TYR 57 HD1 TYR 57 -4.805 -5.787 -0.659 463 HD2 TYR 57 HD2 TYR 57 -2.934 -7.207 -4.201 464 HE1 TYR 57 HE1 TYR 57 -4.253 -3.475 -1.298 465 HE2 TYR 57 HE2 TYR 57 -2.374 -4.909 -4.841 466 HH TYR 57 HH TYR 57 -2.626 -2.292 -2.732 467 H ALA 58 H ALA 58 -5.620 -10.155 -4.194 468 HA ALA 58 HA ALA 58 -5.747 -8.437 -6.453 469 HB1 ALA 58 HB1 ALA 58 -6.250 -11.400 -6.282 470 HB2 ALA 58 HB2 ALA 58 -4.679 -10.632 -6.508 471 HB3 ALA 58 HB3 ALA 58 -5.923 -10.481 -7.750 472 H GLU 59 H GLU 59 -8.177 -9.978 -4.505 473 HA GLU 59 HA GLU 59 -10.359 -9.643 -6.325 474 HB2 GLU 59 HB2 GLU 59 -10.338 -10.014 -3.328 475 HB3 GLU 59 HB3 GLU 59 -11.761 -10.121 -4.350 476 HG2 GLU 59 HG2 GLU 59 -9.366 -11.924 -4.564 477 HG3 GLU 59 HG3 GLU 59 -10.838 -12.311 -3.674 478 H LEU 60 H LEU 60 -8.770 -7.661 -3.967 479 HA LEU 60 HA LEU 60 -10.865 -5.696 -3.712 480 HB2 LEU 60 HB2 LEU 60 -7.965 -5.419 -2.933 481 HB3 LEU 60 HB3 LEU 60 -9.326 -4.503 -2.320 482 HG LEU 60 HG LEU 60 -8.941 -7.455 -1.822 483 HD11 LEU 60 HD11 LEU 60 -8.188 -6.803 0.400 484 HD12 LEU 60 HD12 LEU 60 -8.286 -5.104 -0.055 485 HD13 LEU 60 HD13 LEU 60 -7.113 -6.162 -0.844 486 HD21 LEU 60 HD21 LEU 60 -10.591 -7.109 -0.073 487 HD22 LEU 60 HD22 LEU 60 -11.247 -6.656 -1.646 488 HD23 LEU 60 HD23 LEU 60 -10.725 -5.408 -0.516 489 H ALA 61 H ALA 61 -7.623 -5.833 -5.104 490 HA ALA 61 HA ALA 61 -6.367 -4.433 -6.315 491 HB1 ALA 61 HB1 ALA 61 -7.283 -3.569 -8.379 492 HB2 ALA 61 HB2 ALA 61 -8.926 -3.844 -7.800 493 HB3 ALA 61 HB3 ALA 61 -7.855 -5.215 -8.105 494 H ILE 62 H ILE 62 -8.625 -2.031 -7.206 495 HA ILE 62 HA ILE 62 -7.894 -0.390 -4.874 496 HB ILE 62 HB ILE 62 -8.298 0.629 -7.705 497 HG12 ILE 62 HG12 ILE 62 -6.171 -0.546 -7.539 498 HG13 ILE 62 HG13 ILE 62 -5.892 1.185 -7.667 499 HG21 ILE 62 HG21 ILE 62 -9.016 2.262 -6.054 500 HG22 ILE 62 HG22 ILE 62 -7.533 2.792 -6.849 501 HG23 ILE 62 HG23 ILE 62 -7.468 2.123 -5.218 502 HD11 ILE 62 HD11 ILE 62 -4.375 0.173 -6.068 503 HD12 ILE 62 HD12 ILE 62 -5.741 -0.456 -5.144 504 HD13 ILE 62 HD13 ILE 62 -5.476 1.285 -5.254 505 H PHE 63 H PHE 63 -9.675 -0.417 -3.663 506 HA PHE 63 HA PHE 63 -12.304 -0.142 -4.913 507 HB2 PHE 63 HB2 PHE 63 -11.372 -1.070 -2.233 508 HB3 PHE 63 HB3 PHE 63 -13.005 -0.441 -2.391 509 HD1 PHE 63 HD1 PHE 63 -13.447 -1.538 -5.246 510 HD2 PHE 63 HD2 PHE 63 -11.978 -3.271 -1.655 511 HE1 PHE 63 HE1 PHE 63 -14.259 -3.739 -5.980 512 HE2 PHE 63 HE2 PHE 63 -12.778 -5.475 -2.389 513 HZ PHE 63 HZ PHE 63 -13.924 -5.711 -4.550 514 H ALA 64 H ALA 64 -10.360 2.091 -4.662 515 HA ALA 64 HA ALA 64 -12.143 4.048 -3.480 516 HB1 ALA 64 HB1 ALA 64 -10.389 5.051 -2.085 517 HB2 ALA 64 HB2 ALA 64 -9.293 3.745 -2.532 518 HB3 ALA 64 HB3 ALA 64 -10.740 3.394 -1.590 519 H ALA 65 H ALA 65 -9.962 6.044 -3.473 520 HA ALA 65 HA ALA 65 -8.849 7.532 -4.735 521 HB1 ALA 65 HB1 ALA 65 -8.801 5.494 -6.962 522 HB2 ALA 65 HB2 ALA 65 -7.603 5.622 -5.674 523 HB3 ALA 65 HB3 ALA 65 -7.800 6.939 -6.828 524 H ASP 66 H ASP 66 -11.866 6.926 -4.956 525 HA ASP 66 HA ASP 66 -12.464 8.429 -7.401 526 HB2 ASP 66 HB2 ASP 66 -13.642 6.316 -7.134 527 HB3 ASP 66 HB3 ASP 66 -14.226 6.807 -5.548 528 H GLU 67 H GLU 67 -12.755 8.537 -3.905 529 HA GLU 67 HA GLU 67 -14.223 11.022 -3.868 530 HB2 GLU 67 HB2 GLU 67 -12.849 9.428 -1.712 531 HB3 GLU 67 HB3 GLU 67 -13.706 10.933 -1.407 532 HG2 GLU 67 HG2 GLU 67 -15.773 9.988 -2.059 533 HG3 GLU 67 HG3 GLU 67 -14.983 8.541 -2.694 534 H VAL 68 H VAL 68 -10.990 10.194 -4.333 535 HA VAL 68 HA VAL 68 -10.052 12.809 -3.359 536 HB VAL 68 HB VAL 68 -7.760 11.799 -3.330 537 HG11 VAL 68 HG11 VAL 68 -8.997 12.061 -1.281 538 HG12 VAL 68 HG12 VAL 68 -8.098 10.542 -1.246 539 HG13 VAL 68 HG13 VAL 68 -9.833 10.532 -1.558 540 HG21 VAL 68 HG21 VAL 68 -7.552 9.354 -3.246 541 HG22 VAL 68 HG22 VAL 68 -8.091 9.920 -4.828 542 HG23 VAL 68 HG23 VAL 68 -9.249 9.204 -3.706 543 H LEU 69 H LEU 69 -11.313 12.458 -5.903 544 HA LEU 69 HA LEU 69 -9.435 12.340 -8.024 545 HB2 LEU 69 HB2 LEU 69 -12.135 13.680 -7.891 546 HB3 LEU 69 HB3 LEU 69 -11.202 13.483 -9.357 547 HG LEU 69 HG LEU 69 -12.267 11.208 -7.689 548 HD11 LEU 69 HD11 LEU 69 -13.902 10.926 -9.479 549 HD12 LEU 69 HD12 LEU 69 -13.279 12.367 -10.282 550 HD13 LEU 69 HD13 LEU 69 -14.066 12.505 -8.710 551 HD21 LEU 69 HD21 LEU 69 -10.997 11.255 -10.423 552 HD22 LEU 69 HD22 LEU 69 -11.682 9.837 -9.628 553 HD23 LEU 69 HD23 LEU 69 -10.260 10.632 -8.949 554 H GLU 70 H GLU 70 -10.814 15.019 -6.189 555 HA GLU 70 HA GLU 70 -9.265 16.940 -7.719 556 HB2 GLU 70 HB2 GLU 70 -11.121 17.554 -5.416 557 HB3 GLU 70 HB3 GLU 70 -10.568 18.650 -6.669 558 HG2 GLU 70 HG2 GLU 70 -12.595 18.277 -7.543 559 HG3 GLU 70 HG3 GLU 70 -11.865 16.797 -8.161 560 H HIS 71 H HIS 71 -9.815 16.242 -4.249 561 HA HIS 71 HA HIS 71 -8.766 16.842 -2.337 562 HB2 HIS 71 HB2 HIS 71 -6.928 15.425 -3.585 563 HB3 HIS 71 HB3 HIS 71 -6.114 16.970 -3.755 564 HD1 HIS 71 HD1 HIS 71 -5.956 14.135 -1.732 565 HD2 HIS 71 HD2 HIS 71 -6.002 18.200 -0.873 566 HE1 HIS 71 HE1 HIS 71 -4.896 14.363 0.525 567 HE2 HIS 71 HE2 HIS 71 -5.131 16.802 1.116 568 H HIS 72 H HIS 72 -9.922 18.810 -3.897 569 HA HIS 72 HA HIS 72 -10.135 21.007 -4.319 570 HB2 HIS 72 HB2 HIS 72 -8.073 21.254 -2.124 571 HB3 HIS 72 HB3 HIS 72 -8.899 22.629 -2.845 572 HD1 HIS 72 HD1 HIS 72 -9.213 20.136 -0.210 573 HD2 HIS 72 HD2 HIS 72 -11.794 22.551 -2.399 574 HE1 HIS 72 HE1 HIS 72 -11.366 20.172 1.084 575 HE2 HIS 72 HE2 HIS 72 -12.848 21.774 -0.169 576 H HIS 73 H HIS 73 -8.078 23.075 -4.341 577 HA HIS 73 HA HIS 73 -7.069 22.313 -6.968 578 HB2 HIS 73 HB2 HIS 73 -6.763 24.727 -7.378 579 HB3 HIS 73 HB3 HIS 73 -8.408 24.321 -6.932 580 HD1 HIS 73 HD1 HIS 73 -5.424 26.257 -5.794 581 HD2 HIS 73 HD2 HIS 73 -9.299 25.461 -4.521 582 HE1 HIS 73 HE1 HIS 73 -5.899 27.932 -3.984 583 HE2 HIS 73 HE2 HIS 73 -8.300 27.524 -3.339 584 H HIS 74 H HIS 74 -5.726 21.880 -4.130 585 HA HIS 74 HA HIS 74 -3.063 22.054 -5.231 586 HB2 HIS 74 HB2 HIS 74 -3.888 24.192 -3.628 587 HB3 HIS 74 HB3 HIS 74 -2.969 23.161 -2.533 588 HD1 HIS 74 HD1 HIS 74 -2.606 25.410 -5.473 589 HD2 HIS 74 HD2 HIS 74 -0.220 22.904 -3.172 590 HE1 HIS 74 HE1 HIS 74 -0.237 25.998 -6.068 591 HE2 HIS 74 HE2 HIS 74 1.188 24.399 -4.741 592 H HIS 75 H HIS 75 -1.548 20.762 -4.084 593 HA HIS 75 HA HIS 75 -0.735 19.084 -2.833 594 HB2 HIS 75 HB2 HIS 75 -3.086 19.677 -1.061 595 HB3 HIS 75 HB3 HIS 75 -2.046 18.292 -0.762 596 HD1 HIS 75 HD1 HIS 75 -2.482 21.462 0.522 597 HD2 HIS 75 HD2 HIS 75 0.861 19.434 -0.877 598 HE1 HIS 75 HE1 HIS 75 -0.509 22.586 1.598 599 HE2 HIS 75 HE2 HIS 75 1.485 21.216 0.886 600 H HIS 76 H HIS 76 -0.594 17.286 -3.812 601 HA HIS 76 HA HIS 76 -0.984 15.270 -4.730 602 HB2 HIS 76 HB2 HIS 76 -1.825 14.841 -2.379 603 HB3 HIS 76 HB3 HIS 76 -3.452 15.113 -2.985 604 HD1 HIS 76 HD1 HIS 76 -4.368 13.359 -4.701 605 HD2 HIS 76 HD2 HIS 76 -0.807 12.303 -2.844 606 HE1 HIS 76 HE1 HIS 76 -4.081 10.923 -5.139 607 HE2 HIS 76 HE2 HIS 76 -2.033 10.258 -3.839 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -13.823 -2.631 4.533 2 H2 MET 1 H2 MET 1 -13.919 -3.788 5.769 3 H3 MET 1 H3 MET 1 -14.393 -4.189 4.189 4 HA MET 1 HA MET 1 -12.245 -5.125 4.724 5 HB2 MET 1 HB2 MET 1 -12.926 -4.260 2.408 6 HB3 MET 1 HB3 MET 1 -11.907 -2.869 2.738 7 HG2 MET 1 HG2 MET 1 -10.834 -5.658 2.902 8 HG3 MET 1 HG3 MET 1 -10.975 -4.831 1.358 9 HE1 MET 1 HE1 MET 1 -10.246 -1.815 2.166 10 HE2 MET 1 HE2 MET 1 -9.576 -2.614 0.744 11 HE3 MET 1 HE3 MET 1 -8.504 -1.801 1.885 12 H ILE 2 H ILE 2 -11.484 -4.628 6.766 13 HA ILE 2 HA ILE 2 -9.764 -4.097 8.103 14 HB ILE 2 HB ILE 2 -8.771 -2.533 5.729 15 HG12 ILE 2 HG12 ILE 2 -7.722 -5.032 7.086 16 HG13 ILE 2 HG13 ILE 2 -8.770 -5.029 5.673 17 HG21 ILE 2 HG21 ILE 2 -7.358 -2.902 8.367 18 HG22 ILE 2 HG22 ILE 2 -7.947 -1.378 7.705 19 HG23 ILE 2 HG23 ILE 2 -6.632 -2.239 6.903 20 HD11 ILE 2 HD11 ILE 2 -6.447 -5.407 5.070 21 HD12 ILE 2 HD12 ILE 2 -6.000 -3.870 5.816 22 HD13 ILE 2 HD13 ILE 2 -7.041 -3.890 4.393 23 H ARG 3 H ARG 3 -11.118 -1.286 6.519 24 HA ARG 3 HA ARG 3 -12.016 0.637 7.204 25 HB2 ARG 3 HB2 ARG 3 -12.761 -0.213 9.370 26 HB3 ARG 3 HB3 ARG 3 -11.142 -0.042 10.024 27 HG2 ARG 3 HG2 ARG 3 -12.600 1.736 10.806 28 HG3 ARG 3 HG3 ARG 3 -11.300 2.385 9.807 29 HD2 ARG 3 HD2 ARG 3 -12.835 2.488 7.895 30 HD3 ARG 3 HD3 ARG 3 -14.138 1.882 8.922 31 HE ARG 3 HE ARG 3 -12.918 4.195 10.041 32 HH11 ARG 3 HH11 ARG 3 -15.205 3.262 7.545 33 HH12 ARG 3 HH12 ARG 3 -16.049 4.780 7.606 34 HH21 ARG 3 HH21 ARG 3 -14.028 6.160 10.088 35 HH22 ARG 3 HH22 ARG 3 -15.385 6.414 9.033 36 H LEU 4 H LEU 4 -10.510 1.236 5.760 37 HA LEU 4 HA LEU 4 -8.292 2.838 6.867 38 HB2 LEU 4 HB2 LEU 4 -8.511 1.565 4.130 39 HB3 LEU 4 HB3 LEU 4 -7.218 2.629 4.640 40 HG LEU 4 HG LEU 4 -7.776 -0.047 5.922 41 HD11 LEU 4 HD11 LEU 4 -5.798 0.689 3.769 42 HD12 LEU 4 HD12 LEU 4 -7.200 -0.367 3.589 43 HD13 LEU 4 HD13 LEU 4 -5.858 -0.853 4.625 44 HD21 LEU 4 HD21 LEU 4 -5.405 1.821 6.048 45 HD22 LEU 4 HD22 LEU 4 -5.487 0.219 6.782 46 HD23 LEU 4 HD23 LEU 4 -6.555 1.504 7.348 47 H THR 5 H THR 5 -7.884 4.845 5.488 48 HA THR 5 HA THR 5 -10.423 5.830 4.424 49 HB THR 5 HB THR 5 -9.324 7.229 6.141 50 HG1 THR 5 HG1 THR 5 -9.029 8.957 4.040 51 HG21 THR 5 HG21 THR 5 -7.320 8.518 5.608 52 HG22 THR 5 HG22 THR 5 -7.151 7.627 4.093 53 HG23 THR 5 HG23 THR 5 -6.994 6.788 5.637 54 H ILE 6 H ILE 6 -10.014 7.428 2.501 55 HA ILE 6 HA ILE 6 -9.492 5.893 0.229 56 HB ILE 6 HB ILE 6 -9.468 8.913 0.241 57 HG12 ILE 6 HG12 ILE 6 -11.348 8.244 1.678 58 HG13 ILE 6 HG13 ILE 6 -11.926 8.937 0.171 59 HG21 ILE 6 HG21 ILE 6 -10.643 8.687 -1.907 60 HG22 ILE 6 HG22 ILE 6 -10.518 6.933 -1.780 61 HG23 ILE 6 HG23 ILE 6 -9.058 7.913 -1.920 62 HD11 ILE 6 HD11 ILE 6 -13.268 7.033 0.841 63 HD12 ILE 6 HD12 ILE 6 -11.832 6.009 0.854 64 HD13 ILE 6 HD13 ILE 6 -12.410 6.696 -0.662 65 H GLU 7 H GLU 7 -7.342 7.877 2.090 66 HA GLU 7 HA GLU 7 -5.381 8.377 0.111 67 HB2 GLU 7 HB2 GLU 7 -5.207 8.494 3.121 68 HB3 GLU 7 HB3 GLU 7 -3.948 9.050 2.029 69 HG2 GLU 7 HG2 GLU 7 -4.970 11.024 2.417 70 HG3 GLU 7 HG3 GLU 7 -5.934 10.489 1.046 71 H GLU 8 H GLU 8 -5.731 5.813 2.566 72 HA GLU 8 HA GLU 8 -3.164 4.657 2.249 73 HB2 GLU 8 HB2 GLU 8 -5.783 3.558 3.235 74 HB3 GLU 8 HB3 GLU 8 -4.407 2.494 2.997 75 HG2 GLU 8 HG2 GLU 8 -4.244 2.986 5.211 76 HG3 GLU 8 HG3 GLU 8 -3.160 4.179 4.506 77 H THR 9 H THR 9 -6.244 4.030 0.730 78 HA THR 9 HA THR 9 -5.300 1.969 -0.990 79 HB THR 9 HB THR 9 -7.594 2.395 -2.091 80 HG1 THR 9 HG1 THR 9 -8.126 4.392 -1.288 81 HG21 THR 9 HG21 THR 9 -7.360 1.593 0.802 82 HG22 THR 9 HG22 THR 9 -7.091 0.545 -0.590 83 HG23 THR 9 HG23 THR 9 -8.701 1.191 -0.272 84 H ASN 10 H ASN 10 -5.519 5.443 -1.244 85 HA ASN 10 HA ASN 10 -5.230 5.709 -4.041 86 HB2 ASN 10 HB2 ASN 10 -5.839 7.554 -2.453 87 HB3 ASN 10 HB3 ASN 10 -4.151 7.610 -1.965 88 HD21 ASN 10 HD21 ASN 10 -5.378 7.088 -5.244 89 HD22 ASN 10 HD22 ASN 10 -4.728 8.548 -5.903 90 H LEU 11 H LEU 11 -2.910 5.246 -1.441 91 HA LEU 11 HA LEU 11 -0.517 5.604 -2.891 92 HB2 LEU 11 HB2 LEU 11 -0.540 5.514 -0.483 93 HB3 LEU 11 HB3 LEU 11 -1.181 3.885 -0.504 94 HG LEU 11 HG LEU 11 0.965 3.104 -1.503 95 HD11 LEU 11 HD11 LEU 11 1.889 5.910 -0.911 96 HD12 LEU 11 HD12 LEU 11 1.714 5.190 -2.511 97 HD13 LEU 11 HD13 LEU 11 2.920 4.561 -1.387 98 HD21 LEU 11 HD21 LEU 11 0.529 2.925 0.870 99 HD22 LEU 11 HD22 LEU 11 1.146 4.560 1.119 100 HD23 LEU 11 HD23 LEU 11 2.231 3.281 0.574 101 H LEU 12 H LEU 12 -2.712 2.898 -2.586 102 HA LEU 12 HA LEU 12 -1.046 0.942 -3.807 103 HB2 LEU 12 HB2 LEU 12 -4.046 0.848 -3.804 104 HB3 LEU 12 HB3 LEU 12 -2.919 -0.489 -3.785 105 HG LEU 12 HG LEU 12 -3.562 1.366 -1.491 106 HD11 LEU 12 HD11 LEU 12 -5.287 -0.265 -1.954 107 HD12 LEU 12 HD12 LEU 12 -4.450 -0.660 -0.452 108 HD13 LEU 12 HD13 LEU 12 -4.094 -1.564 -1.923 109 HD21 LEU 12 HD21 LEU 12 -1.631 -0.949 -1.562 110 HD22 LEU 12 HD22 LEU 12 -2.096 -0.031 -0.130 111 HD23 LEU 12 HD23 LEU 12 -1.200 0.755 -1.430 112 H SER 13 H SER 13 -3.539 3.174 -4.987 113 HA SER 13 HA SER 13 -3.558 2.140 -7.640 114 HB2 SER 13 HB2 SER 13 -4.885 4.142 -8.232 115 HB3 SER 13 HB3 SER 13 -5.525 3.283 -6.837 116 HG SER 13 HG SER 13 -3.750 5.210 -6.127 117 H ILE 14 H ILE 14 -1.482 4.433 -6.038 118 HA ILE 14 HA ILE 14 -0.429 5.783 -8.264 119 HB ILE 14 HB ILE 14 0.929 5.004 -5.669 120 HG12 ILE 14 HG12 ILE 14 -0.234 7.654 -6.553 121 HG13 ILE 14 HG13 ILE 14 -1.065 6.502 -5.515 122 HG21 ILE 14 HG21 ILE 14 1.859 6.978 -7.763 123 HG22 ILE 14 HG22 ILE 14 2.630 5.443 -7.364 124 HG23 ILE 14 HG23 ILE 14 2.593 6.745 -6.175 125 HD11 ILE 14 HD11 ILE 14 -0.084 8.308 -4.228 126 HD12 ILE 14 HD12 ILE 14 1.510 7.919 -4.872 127 HD13 ILE 14 HD13 ILE 14 0.676 6.768 -3.827 128 H TYR 15 H TYR 15 0.555 2.726 -6.722 129 HA TYR 15 HA TYR 15 2.416 2.222 -8.898 130 HB2 TYR 15 HB2 TYR 15 1.908 0.790 -6.293 131 HB3 TYR 15 HB3 TYR 15 2.987 0.155 -7.533 132 HD1 TYR 15 HD2 TYR 15 5.078 1.293 -8.055 133 HD2 TYR 15 HD1 TYR 15 2.538 2.701 -4.946 134 HE1 TYR 15 HE2 TYR 15 6.910 2.684 -7.198 135 HE2 TYR 15 HE1 TYR 15 4.364 4.100 -4.081 136 HH TYR 15 HH TYR 15 7.209 4.702 -5.850 137 H ASN 16 H ASN 16 0.182 0.038 -7.221 138 HA ASN 16 HA ASN 16 -0.895 -1.831 -7.865 139 HB2 ASN 16 HB2 ASN 16 -2.489 -0.119 -8.673 140 HB3 ASN 16 HB3 ASN 16 -1.689 -0.112 -10.238 141 HD21 ASN 16 HD21 ASN 16 -3.628 -0.686 -11.250 142 HD22 ASN 16 HD22 ASN 16 -4.243 -2.303 -11.186 143 H GLU 17 H GLU 17 1.217 -2.751 -8.087 144 HA GLU 17 HA GLU 17 1.709 -3.752 -10.796 145 HB2 GLU 17 HB2 GLU 17 3.220 -1.789 -10.259 146 HB3 GLU 17 HB3 GLU 17 3.893 -2.742 -8.945 147 HG2 GLU 17 HG2 GLU 17 5.387 -2.913 -10.762 148 HG3 GLU 17 HG3 GLU 17 4.544 -4.459 -10.646 149 H GLY 18 H GLY 18 1.637 -5.929 -10.654 150 HA2 GLY 18 HA2 GLY 18 2.472 -8.003 -10.142 151 HA3 GLY 18 HA3 GLY 18 3.577 -7.238 -9.024 152 H GLY 19 H GLY 19 0.202 -6.643 -8.545 153 HA2 GLY 19 HA2 GLY 19 -1.344 -7.493 -7.070 154 HA3 GLY 19 HA3 GLY 19 -0.348 -8.932 -6.921 155 H LYS 20 H LYS 20 -0.358 -9.174 -4.763 156 HA LYS 20 HA LYS 20 0.084 -7.002 -2.964 157 HB2 LYS 20 HB2 LYS 20 -0.992 -8.399 -1.603 158 HB3 LYS 20 HB3 LYS 20 -0.911 -9.659 -2.821 159 HG2 LYS 20 HG2 LYS 20 0.126 -10.819 -1.210 160 HG3 LYS 20 HG3 LYS 20 1.547 -9.887 -1.688 161 HD2 LYS 20 HD2 LYS 20 0.997 -8.216 0.025 162 HD3 LYS 20 HD3 LYS 20 -0.383 -9.197 0.519 163 HE2 LYS 20 HE2 LYS 20 1.400 -9.630 2.028 164 HE3 LYS 20 HE3 LYS 20 1.208 -11.051 1.005 165 HZ1 LYS 20 HZ1 LYS 20 3.529 -10.383 1.374 166 HZ2 LYS 20 HZ2 LYS 20 3.228 -8.931 0.555 167 HZ3 LYS 20 HZ3 LYS 20 3.103 -10.409 -0.263 168 H ARG 21 H ARG 21 2.130 -9.528 -4.373 169 HA ARG 21 HA ARG 21 4.383 -9.114 -2.718 170 HB2 ARG 21 HB2 ARG 21 4.024 -10.283 -5.455 171 HB3 ARG 21 HB3 ARG 21 5.643 -9.940 -4.869 172 HG2 ARG 21 HG2 ARG 21 5.112 -11.354 -2.872 173 HG3 ARG 21 HG3 ARG 21 3.635 -11.829 -3.707 174 HD2 ARG 21 HD2 ARG 21 4.953 -12.680 -5.575 175 HD3 ARG 21 HD3 ARG 21 6.436 -12.180 -4.762 176 HE ARG 21 HE ARG 21 4.617 -14.174 -3.570 177 HH11 ARG 21 HH11 ARG 21 7.818 -13.257 -4.670 178 HH12 ARG 21 HH12 ARG 21 8.577 -14.673 -4.020 179 HH21 ARG 21 HH21 ARG 21 5.613 -16.040 -2.751 180 HH22 ARG 21 HH22 ARG 21 7.322 -16.260 -2.940 181 H GLY 22 H GLY 22 3.772 -7.987 -6.030 182 HA2 GLY 22 HA2 GLY 22 6.119 -6.454 -6.232 183 HA3 GLY 22 HA3 GLY 22 4.717 -6.330 -7.281 184 H LEU 23 H LEU 23 2.916 -5.561 -5.081 185 HA LEU 23 HA LEU 23 3.284 -2.765 -5.115 186 HB2 LEU 23 HB2 LEU 23 1.106 -3.880 -4.855 187 HB3 LEU 23 HB3 LEU 23 1.587 -4.440 -3.266 188 HG LEU 23 HG LEU 23 1.817 -1.989 -2.634 189 HD11 LEU 23 HD11 LEU 23 1.852 -1.046 -4.888 190 HD12 LEU 23 HD12 LEU 23 0.521 -0.394 -3.930 191 HD13 LEU 23 HD13 LEU 23 0.206 -1.628 -5.151 192 HD21 LEU 23 HD21 LEU 23 -0.532 -1.792 -2.173 193 HD22 LEU 23 HD22 LEU 23 0.024 -3.446 -1.905 194 HD23 LEU 23 HD23 LEU 23 -0.885 -3.043 -3.366 195 H MET 24 H MET 24 3.801 -5.186 -2.548 196 HA MET 24 HA MET 24 4.688 -3.281 -0.624 197 HB2 MET 24 HB2 MET 24 5.006 -6.285 -0.695 198 HB3 MET 24 HB3 MET 24 5.404 -5.271 0.688 199 HG2 MET 24 HG2 MET 24 3.046 -4.516 0.737 200 HG3 MET 24 HG3 MET 24 2.688 -5.658 -0.547 201 HE1 MET 24 HE1 MET 24 3.606 -5.162 3.202 202 HE2 MET 24 HE2 MET 24 5.018 -6.078 2.675 203 HE3 MET 24 HE3 MET 24 3.843 -6.816 3.769 204 H GLU 25 H GLU 25 6.354 -5.372 -2.945 205 HA GLU 25 HA GLU 25 8.981 -4.866 -2.008 206 HB2 GLU 25 HB2 GLU 25 8.083 -5.707 -4.774 207 HB3 GLU 25 HB3 GLU 25 9.730 -5.781 -4.174 208 HG2 GLU 25 HG2 GLU 25 7.369 -7.369 -3.226 209 HG3 GLU 25 HG3 GLU 25 8.757 -7.969 -4.119 210 H ASN 26 H ASN 26 6.978 -3.279 -4.473 211 HA ASN 26 HA ASN 26 8.987 -1.479 -5.395 212 HB2 ASN 26 HB2 ASN 26 6.059 -1.733 -5.775 213 HB3 ASN 26 HB3 ASN 26 6.743 -0.133 -6.013 214 HD21 ASN 26 HD21 ASN 26 6.610 -3.389 -7.187 215 HD22 ASN 26 HD22 ASN 26 7.369 -3.078 -8.713 216 H ILE 27 H ILE 27 6.419 -1.222 -2.973 217 HA ILE 27 HA ILE 27 6.730 1.519 -2.448 218 HB ILE 27 HB ILE 27 5.462 -0.737 -0.926 219 HG12 ILE 27 HG12 ILE 27 4.369 1.797 -2.173 220 HG13 ILE 27 HG13 ILE 27 4.357 0.207 -2.924 221 HG21 ILE 27 HG21 ILE 27 4.584 0.838 0.725 222 HG22 ILE 27 HG22 ILE 27 5.596 2.112 0.044 223 HG23 ILE 27 HG23 ILE 27 6.342 0.712 0.815 224 HD11 ILE 27 HD11 ILE 27 2.175 0.777 -2.028 225 HD12 ILE 27 HD12 ILE 27 2.871 0.995 -0.421 226 HD13 ILE 27 HD13 ILE 27 2.856 -0.603 -1.167 227 H ASN 28 H ASN 28 8.254 -1.306 -0.886 228 HA ASN 28 HA ASN 28 9.539 0.080 1.203 229 HB2 ASN 28 HB2 ASN 28 10.071 -2.562 -0.113 230 HB3 ASN 28 HB3 ASN 28 11.119 -1.947 1.162 231 HD21 ASN 28 HD21 ASN 28 9.436 -4.296 1.134 232 HD22 ASN 28 HD22 ASN 28 8.328 -4.116 2.454 233 H ALA 29 H ALA 29 10.628 -0.634 -2.083 234 HA ALA 29 HA ALA 29 13.289 0.381 -1.562 235 HB1 ALA 29 HB1 ALA 29 12.045 -0.523 -4.155 236 HB2 ALA 29 HB2 ALA 29 12.957 -1.539 -3.037 237 HB3 ALA 29 HB3 ALA 29 13.754 -0.206 -3.871 238 H ALA 30 H ALA 30 10.309 1.706 -2.694 239 HA ALA 30 HA ALA 30 11.729 3.943 -3.972 240 HB1 ALA 30 HB1 ALA 30 10.432 2.585 -5.534 241 HB2 ALA 30 HB2 ALA 30 9.821 4.236 -5.433 242 HB3 ALA 30 HB3 ALA 30 8.968 2.927 -4.613 243 H LEU 31 H LEU 31 10.653 3.524 -1.089 244 HA LEU 31 HA LEU 31 8.662 5.319 -0.488 245 HB2 LEU 31 HB2 LEU 31 11.114 4.532 1.023 246 HB3 LEU 31 HB3 LEU 31 10.023 5.735 1.672 247 HG LEU 31 HG LEU 31 9.230 2.905 0.968 248 HD11 LEU 31 HD11 LEU 31 10.793 2.981 2.856 249 HD12 LEU 31 HD12 LEU 31 9.169 2.526 3.372 250 HD13 LEU 31 HD13 LEU 31 9.759 4.164 3.660 251 HD21 LEU 31 HD21 LEU 31 7.770 5.089 2.445 252 HD22 LEU 31 HD22 LEU 31 7.194 3.439 2.200 253 HD23 LEU 31 HD23 LEU 31 7.403 4.517 0.819 254 HA PRO 32 HA PRO 32 11.653 9.135 -0.307 255 HB2 PRO 32 HB2 PRO 32 13.999 9.021 -1.661 256 HB3 PRO 32 HB3 PRO 32 13.847 8.619 0.052 257 HG2 PRO 32 HG2 PRO 32 13.915 6.790 -2.316 258 HG3 PRO 32 HG3 PRO 32 14.777 6.656 -0.771 259 HD2 PRO 32 HD2 PRO 32 12.547 5.257 -1.262 260 HD3 PRO 32 HD3 PRO 32 12.917 5.903 0.350 261 H PHE 33 H PHE 33 11.094 7.161 -3.072 262 HA PHE 33 HA PHE 33 11.444 9.373 -4.951 263 HB2 PHE 33 HB2 PHE 33 10.806 6.473 -5.535 264 HB3 PHE 33 HB3 PHE 33 11.261 7.704 -6.710 265 HD1 PHE 33 HD2 PHE 33 13.587 8.844 -6.295 266 HD2 PHE 33 HD1 PHE 33 12.429 5.078 -4.688 267 HE1 PHE 33 HE2 PHE 33 15.956 8.252 -5.985 268 HE2 PHE 33 HE1 PHE 33 14.795 4.481 -4.371 269 HZ PHE 33 HZ PHE 33 16.561 6.070 -5.019 270 H MET 34 H MET 34 9.039 8.210 -3.027 271 HA MET 34 HA MET 34 6.801 8.366 -4.821 272 HB2 MET 34 HB2 MET 34 6.956 8.384 -1.813 273 HB3 MET 34 HB3 MET 34 5.451 8.381 -2.714 274 HG2 MET 34 HG2 MET 34 5.948 6.216 -3.604 275 HG3 MET 34 HG3 MET 34 7.537 6.236 -2.832 276 HE1 MET 34 HE1 MET 34 5.481 3.892 -2.509 277 HE2 MET 34 HE2 MET 34 5.633 3.563 -0.783 278 HE3 MET 34 HE3 MET 34 7.068 3.935 -1.741 279 H ASP 35 H ASP 35 7.396 10.266 -1.887 280 HA ASP 35 HA ASP 35 6.737 12.772 -3.061 281 HB2 ASP 35 HB2 ASP 35 4.512 11.775 -3.187 282 HB3 ASP 35 HB3 ASP 35 4.606 11.249 -1.515 283 H GLU 36 H GLU 36 5.611 11.676 0.072 284 HA GLU 36 HA GLU 36 7.703 12.282 1.787 285 HB2 GLU 36 HB2 GLU 36 7.471 14.602 0.793 286 HB3 GLU 36 HB3 GLU 36 5.837 14.660 1.437 287 HG2 GLU 36 HG2 GLU 36 7.428 15.883 2.824 288 HG3 GLU 36 HG3 GLU 36 6.687 14.541 3.696 289 H ASP 37 H ASP 37 4.265 13.009 1.326 290 HA ASP 37 HA ASP 37 3.456 12.246 3.971 291 HB2 ASP 37 HB2 ASP 37 2.279 13.868 2.396 292 HB3 ASP 37 HB3 ASP 37 1.727 12.454 1.510 293 H MET 38 H MET 38 3.519 10.799 0.803 294 HA MET 38 HA MET 38 2.189 8.378 1.290 295 HB2 MET 38 HB2 MET 38 4.022 9.394 -0.802 296 HB3 MET 38 HB3 MET 38 3.811 7.653 -0.700 297 HG2 MET 38 HG2 MET 38 2.273 8.541 -2.298 298 HG3 MET 38 HG3 MET 38 1.383 7.955 -0.899 299 HE1 MET 38 HE1 MET 38 -0.137 9.629 -2.923 300 HE2 MET 38 HE2 MET 38 -0.934 10.840 -1.916 301 HE3 MET 38 HE3 MET 38 -0.823 9.167 -1.365 302 H ARG 39 H ARG 39 5.451 9.318 2.044 303 HA ARG 39 HA ARG 39 6.650 6.788 2.393 304 HB2 ARG 39 HB2 ARG 39 7.178 9.405 3.819 305 HB3 ARG 39 HB3 ARG 39 8.230 7.999 3.885 306 HG2 ARG 39 HG2 ARG 39 8.765 8.182 1.587 307 HG3 ARG 39 HG3 ARG 39 7.503 9.387 1.327 308 HD2 ARG 39 HD2 ARG 39 9.685 10.446 1.384 309 HD3 ARG 39 HD3 ARG 39 8.722 10.960 2.766 310 HE ARG 39 HE ARG 39 10.284 8.772 3.540 311 HH11 ARG 39 HH11 ARG 39 10.727 12.131 2.624 312 HH12 ARG 39 HH12 ARG 39 12.181 12.310 3.550 313 HH21 ARG 39 HH21 ARG 39 12.168 9.036 4.746 314 HH22 ARG 39 HH22 ARG 39 12.996 10.557 4.750 315 H GLU 40 H GLU 40 5.136 8.958 4.797 316 HA GLU 40 HA GLU 40 5.195 7.148 6.978 317 HB2 GLU 40 HB2 GLU 40 3.355 9.499 6.505 318 HB3 GLU 40 HB3 GLU 40 3.685 8.737 8.054 319 HG2 GLU 40 HG2 GLU 40 5.989 9.458 7.945 320 HG3 GLU 40 HG3 GLU 40 5.705 10.180 6.358 321 H LEU 41 H LEU 41 2.837 7.901 4.525 322 HA LEU 41 HA LEU 41 0.562 6.591 5.459 323 HB2 LEU 41 HB2 LEU 41 0.559 8.184 3.653 324 HB3 LEU 41 HB3 LEU 41 1.602 7.167 2.689 325 HG LEU 41 HG LEU 41 -0.234 5.549 2.430 326 HD11 LEU 41 HD11 LEU 41 -1.442 6.006 4.499 327 HD12 LEU 41 HD12 LEU 41 -2.497 6.175 3.096 328 HD13 LEU 41 HD13 LEU 41 -1.864 7.610 3.902 329 HD21 LEU 41 HD21 LEU 41 0.154 7.306 0.785 330 HD22 LEU 41 HD22 LEU 41 -0.904 8.393 1.686 331 HD23 LEU 41 HD23 LEU 41 -1.566 6.943 0.930 332 H ALA 42 H ALA 42 3.325 5.395 3.672 333 HA ALA 42 HA ALA 42 2.317 2.942 2.789 334 HB1 ALA 42 HB1 ALA 42 4.616 2.360 2.352 335 HB2 ALA 42 HB2 ALA 42 5.165 3.684 3.379 336 HB3 ALA 42 HB3 ALA 42 4.300 4.031 1.882 337 H LYS 43 H LYS 43 3.887 3.817 5.817 338 HA LYS 43 HA LYS 43 4.540 1.254 6.756 339 HB2 LYS 43 HB2 LYS 43 3.818 3.738 8.313 340 HB3 LYS 43 HB3 LYS 43 4.561 2.301 8.999 341 HG2 LYS 43 HG2 LYS 43 6.531 2.636 7.632 342 HG3 LYS 43 HG3 LYS 43 5.776 4.037 6.865 343 HD2 LYS 43 HD2 LYS 43 5.681 5.180 9.011 344 HD3 LYS 43 HD3 LYS 43 6.383 3.768 9.806 345 HE2 LYS 43 HE2 LYS 43 8.417 4.033 8.476 346 HE3 LYS 43 HE3 LYS 43 7.716 5.439 7.672 347 HZ1 LYS 43 HZ1 LYS 43 9.213 6.076 9.457 348 HZ2 LYS 43 HZ2 LYS 43 8.283 5.213 10.581 349 HZ3 LYS 43 HZ3 LYS 43 7.629 6.570 9.803 350 H ARG 44 H ARG 44 1.573 3.142 7.076 351 HA ARG 44 HA ARG 44 0.304 1.279 8.837 352 HB2 ARG 44 HB2 ARG 44 -0.689 3.680 7.321 353 HB3 ARG 44 HB3 ARG 44 -1.748 2.685 8.313 354 HG2 ARG 44 HG2 ARG 44 -0.370 3.172 10.275 355 HG3 ARG 44 HG3 ARG 44 0.690 4.169 9.278 356 HD2 ARG 44 HD2 ARG 44 -2.260 4.691 9.546 357 HD3 ARG 44 HD3 ARG 44 -1.065 5.385 10.638 358 HE ARG 44 HE ARG 44 -0.095 6.522 8.718 359 HH11 ARG 44 HH11 ARG 44 -3.320 5.272 8.322 360 HH12 ARG 44 HH12 ARG 44 -3.729 6.371 7.046 361 HH21 ARG 44 HH21 ARG 44 -0.648 8.023 7.102 362 HH22 ARG 44 HH22 ARG 44 -2.222 7.954 6.371 363 H THR 45 H THR 45 0.267 1.801 5.345 364 HA THR 45 HA THR 45 -2.016 0.105 4.933 365 HB THR 45 HB THR 45 -0.125 0.846 2.724 366 HG1 THR 45 HG1 THR 45 -1.890 2.748 2.816 367 HG21 THR 45 HG21 THR 45 -3.130 0.632 2.920 368 HG22 THR 45 HG22 THR 45 -2.049 -0.576 2.226 369 HG23 THR 45 HG23 THR 45 -2.215 1.002 1.457 370 H LEU 46 H LEU 46 1.514 -0.263 4.611 371 HA LEU 46 HA LEU 46 1.501 -2.815 3.389 372 HB2 LEU 46 HB2 LEU 46 3.582 -1.486 5.110 373 HB3 LEU 46 HB3 LEU 46 3.833 -3.001 4.271 374 HG LEU 46 HG LEU 46 3.305 -0.336 2.959 375 HD11 LEU 46 HD11 LEU 46 5.652 -0.518 2.275 376 HD12 LEU 46 HD12 LEU 46 5.811 -1.989 3.233 377 HD13 LEU 46 HD13 LEU 46 5.478 -0.449 4.028 378 HD21 LEU 46 HD21 LEU 46 3.854 -1.486 0.877 379 HD22 LEU 46 HD22 LEU 46 2.439 -2.209 1.642 380 HD23 LEU 46 HD23 LEU 46 4.006 -3.010 1.751 381 H ALA 47 H ALA 47 1.313 -1.818 6.748 382 HA ALA 47 HA ALA 47 1.809 -4.358 7.916 383 HB1 ALA 47 HB1 ALA 47 1.990 -2.267 9.172 384 HB2 ALA 47 HB2 ALA 47 0.875 -3.393 9.947 385 HB3 ALA 47 HB3 ALA 47 0.248 -2.029 9.021 386 H LYS 48 H LYS 48 -0.942 -2.985 6.368 387 HA LYS 48 HA LYS 48 -2.809 -4.849 7.562 388 HB2 LYS 48 HB2 LYS 48 -3.163 -2.634 5.552 389 HB3 LYS 48 HB3 LYS 48 -4.471 -3.676 6.093 390 HG2 LYS 48 HG2 LYS 48 -2.850 -1.798 7.803 391 HG3 LYS 48 HG3 LYS 48 -4.530 -1.592 7.301 392 HD2 LYS 48 HD2 LYS 48 -5.140 -3.623 8.536 393 HD3 LYS 48 HD3 LYS 48 -3.463 -3.811 9.046 394 HE2 LYS 48 HE2 LYS 48 -3.579 -1.691 10.239 395 HE3 LYS 48 HE3 LYS 48 -5.247 -1.473 9.705 396 HZ1 LYS 48 HZ1 LYS 48 -5.189 -2.334 11.944 397 HZ2 LYS 48 HZ2 LYS 48 -4.238 -3.651 11.456 398 HZ3 LYS 48 HZ3 LYS 48 -5.834 -3.507 10.903 399 H ILE 49 H ILE 49 -0.968 -4.499 4.595 400 HA ILE 49 HA ILE 49 -2.554 -6.555 3.260 401 HB ILE 49 HB ILE 49 -0.161 -5.059 2.139 402 HG12 ILE 49 HG12 ILE 49 -3.114 -4.453 1.840 403 HG13 ILE 49 HG13 ILE 49 -1.974 -3.507 2.786 404 HG21 ILE 49 HG21 ILE 49 -2.363 -6.619 0.770 405 HG22 ILE 49 HG22 ILE 49 -0.681 -7.120 0.932 406 HG23 ILE 49 HG23 ILE 49 -1.091 -5.714 -0.050 407 HD11 ILE 49 HD11 ILE 49 -0.772 -2.907 0.776 408 HD12 ILE 49 HD12 ILE 49 -2.478 -2.480 0.625 409 HD13 ILE 49 HD13 ILE 49 -1.848 -3.915 -0.191 410 H ALA 50 H ALA 50 0.413 -6.213 5.016 411 HA ALA 50 HA ALA 50 1.970 -8.309 4.148 412 HB1 ALA 50 HB1 ALA 50 2.671 -6.647 5.813 413 HB2 ALA 50 HB2 ALA 50 3.054 -8.304 6.287 414 HB3 ALA 50 HB3 ALA 50 1.684 -7.470 7.020 415 HA PRO 51 HA PRO 51 -0.225 -11.612 6.786 416 HB2 PRO 51 HB2 PRO 51 -2.545 -11.209 8.046 417 HB3 PRO 51 HB3 PRO 51 -1.009 -10.708 8.762 418 HG2 PRO 51 HG2 PRO 51 -3.029 -9.061 7.288 419 HG3 PRO 51 HG3 PRO 51 -2.192 -8.704 8.813 420 HD2 PRO 51 HD2 PRO 51 -1.403 -7.715 6.403 421 HD3 PRO 51 HD3 PRO 51 -0.294 -8.012 7.754 422 H LEU 52 H LEU 52 -1.541 -9.852 4.343 423 HA LEU 52 HA LEU 52 -3.708 -11.732 3.747 424 HB2 LEU 52 HB2 LEU 52 -2.901 -9.142 2.412 425 HB3 LEU 52 HB3 LEU 52 -4.210 -10.167 1.866 426 HG LEU 52 HG LEU 52 -4.126 -8.789 4.552 427 HD11 LEU 52 HD11 LEU 52 -4.279 -7.169 2.746 428 HD12 LEU 52 HD12 LEU 52 -5.823 -7.299 3.589 429 HD13 LEU 52 HD13 LEU 52 -5.605 -8.077 2.022 430 HD21 LEU 52 HD21 LEU 52 -6.492 -9.407 4.655 431 HD22 LEU 52 HD22 LEU 52 -5.464 -10.835 4.538 432 HD23 LEU 52 HD23 LEU 52 -6.339 -10.257 3.118 433 H THR 53 H THR 53 -3.794 -12.478 1.430 434 HA THR 53 HA THR 53 -1.084 -13.026 0.430 435 HB THR 53 HB THR 53 -2.074 -14.792 -0.960 436 HG1 THR 53 HG1 THR 53 -4.412 -15.260 -0.231 437 HG21 THR 53 HG21 THR 53 -2.761 -16.334 0.813 438 HG22 THR 53 HG22 THR 53 -2.960 -14.974 1.919 439 HG23 THR 53 HG23 THR 53 -1.360 -15.382 1.298 440 H GLU 54 H GLU 54 -1.214 -13.321 -2.120 441 HA GLU 54 HA GLU 54 -1.906 -10.766 -3.236 442 HB2 GLU 54 HB2 GLU 54 -1.298 -12.261 -5.430 443 HB3 GLU 54 HB3 GLU 54 -0.126 -11.389 -4.467 444 HG2 GLU 54 HG2 GLU 54 0.719 -13.578 -4.917 445 HG3 GLU 54 HG3 GLU 54 0.334 -13.475 -3.202 446 H ASN 55 H ASN 55 -3.395 -13.832 -2.948 447 HA ASN 55 HA ASN 55 -5.378 -13.523 -4.973 448 HB2 ASN 55 HB2 ASN 55 -4.542 -15.677 -3.876 449 HB3 ASN 55 HB3 ASN 55 -5.548 -15.248 -2.502 450 HD21 ASN 55 HD21 ASN 55 -5.498 -16.295 -5.804 451 HD22 ASN 55 HD22 ASN 55 -7.163 -16.766 -5.884 452 H GLU 56 H GLU 56 -5.161 -12.784 -1.512 453 HA GLU 56 HA GLU 56 -7.847 -11.898 -1.176 454 HB2 GLU 56 HB2 GLU 56 -5.399 -11.081 0.398 455 HB3 GLU 56 HB3 GLU 56 -7.062 -10.850 0.895 456 HG2 GLU 56 HG2 GLU 56 -5.588 -13.446 0.608 457 HG3 GLU 56 HG3 GLU 56 -6.107 -12.673 2.101 458 H TYR 57 H TYR 57 -4.814 -10.275 -2.018 459 HA TYR 57 HA TYR 57 -5.845 -7.625 -1.960 460 HB2 TYR 57 HB2 TYR 57 -3.435 -8.070 -1.744 461 HB3 TYR 57 HB3 TYR 57 -3.391 -8.720 -3.380 462 HD1 TYR 57 HD1 TYR 57 -3.928 -5.596 -1.427 463 HD2 TYR 57 HD2 TYR 57 -3.111 -7.296 -5.242 464 HE1 TYR 57 HE1 TYR 57 -3.455 -3.353 -2.333 465 HE2 TYR 57 HE2 TYR 57 -2.648 -5.063 -6.144 466 HH TYR 57 HH TYR 57 -3.222 -2.750 -5.672 467 H ALA 58 H ALA 58 -5.805 -10.144 -4.412 468 HA ALA 58 HA ALA 58 -6.373 -8.524 -6.664 469 HB1 ALA 58 HB1 ALA 58 -7.060 -11.418 -6.218 470 HB2 ALA 58 HB2 ALA 58 -5.523 -10.811 -6.839 471 HB3 ALA 58 HB3 ALA 58 -7.006 -10.582 -7.768 472 H GLU 59 H GLU 59 -8.410 -9.886 -4.156 473 HA GLU 59 HA GLU 59 -10.911 -9.311 -5.407 474 HB2 GLU 59 HB2 GLU 59 -10.092 -9.874 -2.567 475 HB3 GLU 59 HB3 GLU 59 -11.755 -9.479 -2.990 476 HG2 GLU 59 HG2 GLU 59 -10.276 -11.700 -4.344 477 HG3 GLU 59 HG3 GLU 59 -11.098 -11.939 -2.804 478 H LEU 60 H LEU 60 -8.670 -7.453 -3.483 479 HA LEU 60 HA LEU 60 -10.524 -5.321 -2.873 480 HB2 LEU 60 HB2 LEU 60 -7.519 -5.159 -2.717 481 HB3 LEU 60 HB3 LEU 60 -8.700 -4.238 -1.810 482 HG LEU 60 HG LEU 60 -7.998 -7.152 -1.438 483 HD11 LEU 60 HD11 LEU 60 -7.277 -6.424 0.768 484 HD12 LEU 60 HD12 LEU 60 -7.708 -4.762 0.364 485 HD13 LEU 60 HD13 LEU 60 -6.403 -5.572 -0.505 486 HD21 LEU 60 HD21 LEU 60 -10.400 -6.876 -1.114 487 HD22 LEU 60 HD22 LEU 60 -10.105 -5.535 -0.006 488 HD23 LEU 60 HD23 LEU 60 -9.584 -7.164 0.424 489 H ALA 61 H ALA 61 -7.591 -5.596 -4.841 490 HA ALA 61 HA ALA 61 -6.822 -4.626 -6.724 491 HB1 ALA 61 HB1 ALA 61 -8.671 -5.975 -7.610 492 HB2 ALA 61 HB2 ALA 61 -8.374 -4.534 -8.586 493 HB3 ALA 61 HB3 ALA 61 -9.741 -4.580 -7.472 494 H ILE 62 H ILE 62 -6.850 -2.760 -4.771 495 HA ILE 62 HA ILE 62 -6.947 -0.594 -4.176 496 HB ILE 62 HB ILE 62 -7.427 -0.103 -7.123 497 HG12 ILE 62 HG12 ILE 62 -5.197 1.173 -6.744 498 HG13 ILE 62 HG13 ILE 62 -5.102 0.246 -5.255 499 HG21 ILE 62 HG21 ILE 62 -8.613 1.655 -5.917 500 HG22 ILE 62 HG22 ILE 62 -7.188 2.299 -6.736 501 HG23 ILE 62 HG23 ILE 62 -7.155 2.017 -4.993 502 HD11 ILE 62 HD11 ILE 62 -3.795 -0.750 -7.042 503 HD12 ILE 62 HD12 ILE 62 -5.251 -0.905 -8.026 504 HD13 ILE 62 HD13 ILE 62 -5.101 -1.817 -6.525 505 H PHE 63 H PHE 63 -8.445 -0.008 -2.858 506 HA PHE 63 HA PHE 63 -11.181 -0.767 -3.440 507 HB2 PHE 63 HB2 PHE 63 -9.642 -1.006 -1.221 508 HB3 PHE 63 HB3 PHE 63 -10.538 0.454 -0.839 509 HD1 PHE 63 HD1 PHE 63 -10.994 -3.032 -1.972 510 HD2 PHE 63 HD2 PHE 63 -12.664 0.306 0.068 511 HE1 PHE 63 HE1 PHE 63 -12.873 -4.426 -1.237 512 HE2 PHE 63 HE2 PHE 63 -14.556 -1.084 0.802 513 HZ PHE 63 HZ PHE 63 -14.649 -3.458 0.152 514 H ALA 64 H ALA 64 -9.294 2.152 -2.998 515 HA ALA 64 HA ALA 64 -11.496 3.763 -3.948 516 HB1 ALA 64 HB1 ALA 64 -10.303 4.303 -1.237 517 HB2 ALA 64 HB2 ALA 64 -11.924 3.679 -1.542 518 HB3 ALA 64 HB3 ALA 64 -11.490 5.306 -2.071 519 H ALA 65 H ALA 65 -10.759 5.278 -5.252 520 HA ALA 65 HA ALA 65 -8.240 6.643 -4.810 521 HB1 ALA 65 HB1 ALA 65 -8.658 4.956 -7.285 522 HB2 ALA 65 HB2 ALA 65 -7.508 4.624 -5.990 523 HB3 ALA 65 HB3 ALA 65 -7.311 6.056 -6.999 524 H ASP 66 H ASP 66 -7.864 8.255 -6.618 525 HA ASP 66 HA ASP 66 -8.437 9.928 -8.018 526 HB2 ASP 66 HB2 ASP 66 -10.942 8.315 -8.434 527 HB3 ASP 66 HB3 ASP 66 -10.740 9.903 -9.159 528 H GLU 67 H GLU 67 -10.549 9.159 -5.406 529 HA GLU 67 HA GLU 67 -12.026 11.604 -5.331 530 HB2 GLU 67 HB2 GLU 67 -11.559 9.582 -3.132 531 HB3 GLU 67 HB3 GLU 67 -12.860 10.760 -3.204 532 HG2 GLU 67 HG2 GLU 67 -12.499 8.527 -5.187 533 HG3 GLU 67 HG3 GLU 67 -13.507 8.411 -3.748 534 H VAL 68 H VAL 68 -8.874 10.751 -4.407 535 HA VAL 68 HA VAL 68 -8.643 13.152 -2.730 536 HB VAL 68 HB VAL 68 -6.670 11.963 -1.624 537 HG11 VAL 68 HG11 VAL 68 -8.086 10.790 -0.024 538 HG12 VAL 68 HG12 VAL 68 -9.433 10.865 -1.163 539 HG13 VAL 68 HG13 VAL 68 -8.777 12.352 -0.469 540 HG21 VAL 68 HG21 VAL 68 -6.768 9.520 -1.587 541 HG22 VAL 68 HG22 VAL 68 -6.408 10.146 -3.195 542 HG23 VAL 68 HG23 VAL 68 -8.029 9.562 -2.819 543 H LEU 69 H LEU 69 -8.099 12.443 -5.714 544 HA LEU 69 HA LEU 69 -5.255 12.841 -6.002 545 HB2 LEU 69 HB2 LEU 69 -7.525 12.775 -7.971 546 HB3 LEU 69 HB3 LEU 69 -5.902 13.224 -8.452 547 HG LEU 69 HG LEU 69 -6.785 10.555 -7.353 548 HD11 LEU 69 HD11 LEU 69 -7.415 10.999 -9.672 549 HD12 LEU 69 HD12 LEU 69 -6.178 9.748 -9.568 550 HD13 LEU 69 HD13 LEU 69 -5.738 11.384 -10.057 551 HD21 LEU 69 HD21 LEU 69 -4.027 11.471 -8.186 552 HD22 LEU 69 HD22 LEU 69 -4.481 9.821 -7.756 553 HD23 LEU 69 HD23 LEU 69 -4.543 11.098 -6.541 554 H GLU 70 H GLU 70 -4.179 14.636 -6.724 555 HA GLU 70 HA GLU 70 -3.616 16.808 -6.961 556 HB2 GLU 70 HB2 GLU 70 -6.403 17.192 -8.072 557 HB3 GLU 70 HB3 GLU 70 -5.004 18.213 -8.365 558 HG2 GLU 70 HG2 GLU 70 -3.946 16.059 -9.335 559 HG3 GLU 70 HG3 GLU 70 -5.612 15.495 -9.429 560 H HIS 71 H HIS 71 -4.705 16.073 -4.424 561 HA HIS 71 HA HIS 71 -6.206 18.381 -3.521 562 HB2 HIS 71 HB2 HIS 71 -5.589 15.715 -2.448 563 HB3 HIS 71 HB3 HIS 71 -5.604 17.000 -1.242 564 HD1 HIS 71 HD1 HIS 71 -7.858 15.315 -3.765 565 HD2 HIS 71 HD2 HIS 71 -8.099 17.982 -0.589 566 HE1 HIS 71 HE1 HIS 71 -10.310 15.604 -3.307 567 HE2 HIS 71 HE2 HIS 71 -10.431 17.367 -1.516 568 H HIS 72 H HIS 72 -5.113 18.801 -0.948 569 HA HIS 72 HA HIS 72 -3.045 20.575 -1.892 570 HB2 HIS 72 HB2 HIS 72 -4.676 20.480 0.608 571 HB3 HIS 72 HB3 HIS 72 -3.213 21.460 0.547 572 HD1 HIS 72 HD1 HIS 72 -6.685 21.838 0.094 573 HD2 HIS 72 HD2 HIS 72 -3.357 23.145 -2.016 574 HE1 HIS 72 HE1 HIS 72 -7.475 23.787 -1.273 575 HE2 HIS 72 HE2 HIS 72 -5.494 24.430 -2.689 576 H HIS 73 H HIS 73 -1.465 19.131 -2.295 577 HA HIS 73 HA HIS 73 0.608 19.279 -0.390 578 HB2 HIS 73 HB2 HIS 73 -0.519 17.076 0.318 579 HB3 HIS 73 HB3 HIS 73 -0.077 16.442 -1.265 580 HD1 HIS 73 HD1 HIS 73 1.116 16.538 2.106 581 HD2 HIS 73 HD2 HIS 73 2.928 16.677 -1.624 582 HE1 HIS 73 HE1 HIS 73 3.526 15.940 2.493 583 HE2 HIS 73 HE2 HIS 73 4.622 16.159 0.238 584 H HIS 74 H HIS 74 -0.425 17.355 -3.221 585 HA HIS 74 HA HIS 74 1.571 18.774 -4.819 586 HB2 HIS 74 HB2 HIS 74 2.207 16.666 -6.008 587 HB3 HIS 74 HB3 HIS 74 2.721 16.707 -4.335 588 HD1 HIS 74 HD1 HIS 74 2.374 14.584 -3.130 589 HD2 HIS 74 HD2 HIS 74 -0.337 14.999 -6.252 590 HE1 HIS 74 HE1 HIS 74 1.059 12.449 -3.177 591 HE2 HIS 74 HE2 HIS 74 -0.718 12.825 -4.923 592 H HIS 75 H HIS 75 1.123 18.870 -7.067 593 HA HIS 75 HA HIS 75 -1.698 18.547 -7.723 594 HB2 HIS 75 HB2 HIS 75 -0.068 20.549 -8.360 595 HB3 HIS 75 HB3 HIS 75 0.354 19.491 -9.699 596 HD1 HIS 75 HD1 HIS 75 -2.667 21.205 -8.201 597 HD2 HIS 75 HD2 HIS 75 -1.386 19.604 -11.812 598 HE1 HIS 75 HE1 HIS 75 -4.423 21.832 -9.875 599 HE2 HIS 75 HE2 HIS 75 -3.514 21.035 -12.084 600 H HIS 76 H HIS 76 -2.405 17.225 -9.441 601 HA HIS 76 HA HIS 76 -2.639 15.275 -10.527 602 HB2 HIS 76 HB2 HIS 76 0.295 15.663 -11.082 603 HB3 HIS 76 HB3 HIS 76 -0.629 14.315 -11.731 604 HD1 HIS 76 HD1 HIS 76 -2.879 15.183 -13.145 605 HD2 HIS 76 HD2 HIS 76 0.322 17.803 -12.743 606 HE1 HIS 76 HE1 HIS 76 -3.184 16.906 -14.946 607 HE2 HIS 76 HE2 HIS 76 -1.174 18.414 -14.762 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -13.417 -7.240 4.488 2 H2 MET 1 H2 MET 1 -13.746 -6.030 5.633 3 H3 MET 1 H3 MET 1 -12.824 -7.381 6.070 4 HA MET 1 HA MET 1 -11.047 -6.751 4.690 5 HB2 MET 1 HB2 MET 1 -11.100 -4.641 3.405 6 HB3 MET 1 HB3 MET 1 -12.284 -5.802 2.829 7 HG2 MET 1 HG2 MET 1 -14.044 -4.577 4.033 8 HG3 MET 1 HG3 MET 1 -12.841 -3.403 4.562 9 HE1 MET 1 HE1 MET 1 -14.225 -3.970 0.188 10 HE2 MET 1 HE2 MET 1 -14.902 -4.834 1.569 11 HE3 MET 1 HE3 MET 1 -13.261 -5.186 1.027 12 H ILE 2 H ILE 2 -9.482 -5.059 5.208 13 HA ILE 2 HA ILE 2 -9.694 -4.045 7.865 14 HB ILE 2 HB ILE 2 -7.524 -4.712 7.008 15 HG12 ILE 2 HG12 ILE 2 -7.539 -1.696 7.337 16 HG13 ILE 2 HG13 ILE 2 -7.564 -2.850 8.663 17 HG21 ILE 2 HG21 ILE 2 -7.868 -4.312 4.654 18 HG22 ILE 2 HG22 ILE 2 -6.391 -3.511 5.191 19 HG23 ILE 2 HG23 ILE 2 -7.855 -2.567 4.919 20 HD11 ILE 2 HD11 ILE 2 -5.356 -3.649 8.020 21 HD12 ILE 2 HD12 ILE 2 -5.348 -1.911 8.314 22 HD13 ILE 2 HD13 ILE 2 -5.340 -2.523 6.661 23 H ARG 3 H ARG 3 -10.069 -1.958 8.557 24 HA ARG 3 HA ARG 3 -11.549 -0.205 6.834 25 HB2 ARG 3 HB2 ARG 3 -11.796 -0.599 9.399 26 HB3 ARG 3 HB3 ARG 3 -10.451 0.519 9.547 27 HG2 ARG 3 HG2 ARG 3 -12.973 1.269 8.090 28 HG3 ARG 3 HG3 ARG 3 -12.817 1.439 9.837 29 HD2 ARG 3 HD2 ARG 3 -11.150 2.798 7.716 30 HD3 ARG 3 HD3 ARG 3 -12.337 3.555 8.777 31 HE ARG 3 HE ARG 3 -10.644 2.573 10.571 32 HH11 ARG 3 HH11 ARG 3 -9.998 4.413 7.640 33 HH12 ARG 3 HH12 ARG 3 -8.468 5.004 8.215 34 HH21 ARG 3 HH21 ARG 3 -8.648 3.369 11.303 35 HH22 ARG 3 HH22 ARG 3 -7.712 4.428 10.288 36 H LEU 4 H LEU 4 -10.505 0.873 5.320 37 HA LEU 4 HA LEU 4 -7.946 2.162 6.001 38 HB2 LEU 4 HB2 LEU 4 -9.035 1.341 3.314 39 HB3 LEU 4 HB3 LEU 4 -7.555 2.240 3.561 40 HG LEU 4 HG LEU 4 -8.073 -0.593 4.449 41 HD11 LEU 4 HD11 LEU 4 -6.432 -1.122 2.722 42 HD12 LEU 4 HD12 LEU 4 -6.364 0.582 2.273 43 HD13 LEU 4 HD13 LEU 4 -7.859 -0.329 2.056 44 HD21 LEU 4 HD21 LEU 4 -5.559 1.078 4.616 45 HD22 LEU 4 HD22 LEU 4 -5.695 -0.634 5.025 46 HD23 LEU 4 HD23 LEU 4 -6.553 0.575 5.983 47 H THR 5 H THR 5 -7.593 4.278 5.251 48 HA THR 5 HA THR 5 -9.964 5.798 4.551 49 HB THR 5 HB THR 5 -8.274 6.689 6.202 50 HG1 THR 5 HG1 THR 5 -9.492 8.307 5.472 51 HG21 THR 5 HG21 THR 5 -6.247 7.763 5.343 52 HG22 THR 5 HG22 THR 5 -6.572 7.087 3.747 53 HG23 THR 5 HG23 THR 5 -6.211 6.016 5.101 54 H ILE 6 H ILE 6 -9.641 7.414 2.696 55 HA ILE 6 HA ILE 6 -9.468 5.988 0.293 56 HB ILE 6 HB ILE 6 -9.288 8.995 0.519 57 HG12 ILE 6 HG12 ILE 6 -11.085 8.280 2.011 58 HG13 ILE 6 HG13 ILE 6 -11.753 9.053 0.583 59 HG21 ILE 6 HG21 ILE 6 -10.515 7.199 -1.565 60 HG22 ILE 6 HG22 ILE 6 -9.051 8.174 -1.734 61 HG23 ILE 6 HG23 ILE 6 -10.620 8.960 -1.548 62 HD11 ILE 6 HD11 ILE 6 -11.647 6.085 1.087 63 HD12 ILE 6 HD12 ILE 6 -12.341 6.870 -0.332 64 HD13 ILE 6 HD13 ILE 6 -13.065 7.120 1.259 65 H GLU 7 H GLU 7 -7.063 7.903 1.961 66 HA GLU 7 HA GLU 7 -5.299 8.269 -0.234 67 HB2 GLU 7 HB2 GLU 7 -4.848 8.507 2.737 68 HB3 GLU 7 HB3 GLU 7 -3.620 8.877 1.544 69 HG2 GLU 7 HG2 GLU 7 -4.471 10.948 2.043 70 HG3 GLU 7 HG3 GLU 7 -5.367 10.519 0.590 71 H GLU 8 H GLU 8 -5.745 5.654 2.029 72 HA GLU 8 HA GLU 8 -3.223 4.377 1.808 73 HB2 GLU 8 HB2 GLU 8 -5.915 3.022 2.115 74 HB3 GLU 8 HB3 GLU 8 -4.350 2.361 2.551 75 HG2 GLU 8 HG2 GLU 8 -5.560 4.772 3.851 76 HG3 GLU 8 HG3 GLU 8 -5.765 3.131 4.443 77 H THR 9 H THR 9 -6.271 3.875 0.113 78 HA THR 9 HA THR 9 -5.246 1.983 -1.752 79 HB THR 9 HB THR 9 -7.641 2.895 -2.792 80 HG1 THR 9 HG1 THR 9 -8.386 4.102 -1.180 81 HG21 THR 9 HG21 THR 9 -7.159 0.758 -0.709 82 HG22 THR 9 HG22 THR 9 -7.013 0.560 -2.456 83 HG23 THR 9 HG23 THR 9 -8.589 0.885 -1.736 84 H ASN 10 H ASN 10 -5.615 5.461 -1.754 85 HA ASN 10 HA ASN 10 -5.173 5.914 -4.519 86 HB2 ASN 10 HB2 ASN 10 -6.074 7.679 -3.157 87 HB3 ASN 10 HB3 ASN 10 -4.692 7.628 -2.071 88 HD21 ASN 10 HD21 ASN 10 -2.998 8.902 -2.486 89 HD22 ASN 10 HD22 ASN 10 -2.826 9.894 -3.888 90 H LEU 11 H LEU 11 -2.991 5.577 -1.762 91 HA LEU 11 HA LEU 11 -0.558 6.024 -3.164 92 HB2 LEU 11 HB2 LEU 11 -0.594 6.283 -0.808 93 HB3 LEU 11 HB3 LEU 11 -1.276 4.691 -0.568 94 HG LEU 11 HG LEU 11 0.911 3.743 -1.396 95 HD11 LEU 11 HD11 LEU 11 2.879 5.188 -1.253 96 HD12 LEU 11 HD12 LEU 11 1.831 6.586 -1.013 97 HD13 LEU 11 HD13 LEU 11 1.784 5.700 -2.537 98 HD21 LEU 11 HD21 LEU 11 0.903 5.433 1.084 99 HD22 LEU 11 HD22 LEU 11 2.002 4.093 0.752 100 HD23 LEU 11 HD23 LEU 11 0.272 3.793 0.930 101 H LEU 12 H LEU 12 -2.455 3.144 -2.416 102 HA LEU 12 HA LEU 12 -0.671 1.220 -3.457 103 HB2 LEU 12 HB2 LEU 12 -3.672 1.161 -3.198 104 HB3 LEU 12 HB3 LEU 12 -2.702 -0.215 -3.680 105 HG LEU 12 HG LEU 12 -2.602 1.186 -1.018 106 HD11 LEU 12 HD11 LEU 12 -4.606 -0.148 -1.363 107 HD12 LEU 12 HD12 LEU 12 -3.535 -0.906 -0.184 108 HD13 LEU 12 HD13 LEU 12 -3.615 -1.531 -1.833 109 HD21 LEU 12 HD21 LEU 12 -0.402 0.352 -1.663 110 HD22 LEU 12 HD22 LEU 12 -1.095 -1.232 -2.008 111 HD23 LEU 12 HD23 LEU 12 -1.087 -0.614 -0.355 112 H SER 13 H SER 13 -3.104 3.244 -4.969 113 HA SER 13 HA SER 13 -3.213 1.963 -7.475 114 HB2 SER 13 HB2 SER 13 -4.878 3.611 -6.671 115 HB3 SER 13 HB3 SER 13 -3.670 4.883 -6.800 116 HG SER 13 HG SER 13 -3.562 4.273 -9.099 117 H ILE 14 H ILE 14 -1.003 4.345 -6.119 118 HA ILE 14 HA ILE 14 0.349 5.103 -8.483 119 HB ILE 14 HB ILE 14 1.392 5.096 -5.638 120 HG12 ILE 14 HG12 ILE 14 0.041 7.325 -7.173 121 HG13 ILE 14 HG13 ILE 14 -0.773 6.302 -5.997 122 HG21 ILE 14 HG21 ILE 14 2.303 6.727 -8.022 123 HG22 ILE 14 HG22 ILE 14 3.192 5.395 -7.283 124 HG23 ILE 14 HG23 ILE 14 2.911 6.879 -6.369 125 HD11 ILE 14 HD11 ILE 14 -0.173 8.433 -5.036 126 HD12 ILE 14 HD12 ILE 14 1.521 8.161 -5.442 127 HD13 ILE 14 HD13 ILE 14 0.721 7.129 -4.256 128 H TYR 15 H TYR 15 0.741 2.422 -6.235 129 HA TYR 15 HA TYR 15 3.118 1.499 -7.716 130 HB2 TYR 15 HB2 TYR 15 2.432 1.208 -4.779 131 HB3 TYR 15 HB3 TYR 15 3.800 0.406 -5.556 132 HD1 TYR 15 HD2 TYR 15 5.329 2.037 -6.972 133 HD2 TYR 15 HD1 TYR 15 2.842 3.235 -3.738 134 HE1 TYR 15 HE2 TYR 15 6.672 4.072 -6.707 135 HE2 TYR 15 HE1 TYR 15 4.176 5.284 -3.474 136 HH TYR 15 HH TYR 15 6.375 6.132 -4.016 137 H ASN 16 H ASN 16 0.343 0.854 -8.355 138 HA ASN 16 HA ASN 16 -0.189 -1.794 -7.309 139 HB2 ASN 16 HB2 ASN 16 -1.912 0.067 -7.894 140 HB3 ASN 16 HB3 ASN 16 -1.720 -0.494 -9.551 141 HD21 ASN 16 HD21 ASN 16 -4.063 -0.527 -7.946 142 HD22 ASN 16 HD22 ASN 16 -4.565 -2.175 -7.799 143 H GLU 17 H GLU 17 1.339 -3.183 -8.073 144 HA GLU 17 HA GLU 17 1.022 -4.184 -10.729 145 HB2 GLU 17 HB2 GLU 17 2.558 -2.136 -10.966 146 HB3 GLU 17 HB3 GLU 17 3.748 -3.060 -10.062 147 HG2 GLU 17 HG2 GLU 17 3.771 -4.763 -11.788 148 HG3 GLU 17 HG3 GLU 17 2.526 -3.888 -12.681 149 H GLY 18 H GLY 18 1.489 -6.328 -10.698 150 HA2 GLY 18 HA2 GLY 18 2.762 -8.238 -10.341 151 HA3 GLY 18 HA3 GLY 18 3.818 -7.308 -9.304 152 H GLY 19 H GLY 19 0.398 -7.369 -8.612 153 HA2 GLY 19 HA2 GLY 19 -0.834 -8.482 -7.002 154 HA3 GLY 19 HA3 GLY 19 0.492 -9.621 -6.823 155 H LYS 20 H LYS 20 0.494 -9.650 -4.601 156 HA LYS 20 HA LYS 20 0.745 -7.236 -3.048 157 HB2 LYS 20 HB2 LYS 20 -0.376 -8.993 -1.947 158 HB3 LYS 20 HB3 LYS 20 0.844 -10.175 -2.403 159 HG2 LYS 20 HG2 LYS 20 2.426 -8.920 -0.882 160 HG3 LYS 20 HG3 LYS 20 1.011 -8.038 -0.299 161 HD2 LYS 20 HD2 LYS 20 -0.021 -10.090 0.409 162 HD3 LYS 20 HD3 LYS 20 1.304 -11.020 -0.290 163 HE2 LYS 20 HE2 LYS 20 2.867 -9.990 1.281 164 HE3 LYS 20 HE3 LYS 20 1.552 -9.038 1.969 165 HZ1 LYS 20 HZ1 LYS 20 1.978 -10.919 3.357 166 HZ2 LYS 20 HZ2 LYS 20 1.841 -11.991 2.054 167 HZ3 LYS 20 HZ3 LYS 20 0.473 -11.151 2.607 168 H ARG 21 H ARG 21 2.892 -9.734 -4.299 169 HA ARG 21 HA ARG 21 5.196 -9.009 -2.830 170 HB2 ARG 21 HB2 ARG 21 4.666 -10.665 -5.232 171 HB3 ARG 21 HB3 ARG 21 6.310 -10.086 -5.013 172 HG2 ARG 21 HG2 ARG 21 6.176 -12.250 -4.067 173 HG3 ARG 21 HG3 ARG 21 6.281 -11.103 -2.733 174 HD2 ARG 21 HD2 ARG 21 3.902 -11.273 -2.353 175 HD3 ARG 21 HD3 ARG 21 3.717 -12.317 -3.760 176 HE ARG 21 HE ARG 21 5.492 -13.272 -1.657 177 HH11 ARG 21 HH11 ARG 21 2.310 -13.395 -3.143 178 HH12 ARG 21 HH12 ARG 21 1.869 -14.879 -2.355 179 HH21 ARG 21 HH21 ARG 21 4.900 -15.219 -0.626 180 HH22 ARG 21 HH22 ARG 21 3.335 -15.914 -0.925 181 H GLY 22 H GLY 22 4.145 -8.166 -6.115 182 HA2 GLY 22 HA2 GLY 22 6.275 -6.386 -6.641 183 HA3 GLY 22 HA3 GLY 22 4.733 -6.420 -7.479 184 H LEU 23 H LEU 23 3.090 -5.894 -5.164 185 HA LEU 23 HA LEU 23 3.026 -3.100 -5.049 186 HB2 LEU 23 HB2 LEU 23 1.543 -5.260 -3.947 187 HB3 LEU 23 HB3 LEU 23 1.992 -4.232 -2.602 188 HG LEU 23 HG LEU 23 -0.169 -3.543 -3.325 189 HD11 LEU 23 HD11 LEU 23 0.167 -1.222 -3.995 190 HD12 LEU 23 HD12 LEU 23 1.841 -1.582 -4.419 191 HD13 LEU 23 HD13 LEU 23 1.310 -1.705 -2.741 192 HD21 LEU 23 HD21 LEU 23 -0.172 -4.535 -5.539 193 HD22 LEU 23 HD22 LEU 23 0.954 -3.303 -6.110 194 HD23 LEU 23 HD23 LEU 23 -0.673 -2.845 -5.607 195 H MET 24 H MET 24 4.382 -5.421 -2.743 196 HA MET 24 HA MET 24 5.265 -3.490 -0.860 197 HB2 MET 24 HB2 MET 24 5.859 -6.398 -1.285 198 HB3 MET 24 HB3 MET 24 6.709 -5.468 -0.059 199 HG2 MET 24 HG2 MET 24 4.579 -4.898 0.981 200 HG3 MET 24 HG3 MET 24 3.735 -5.839 -0.247 201 HE1 MET 24 HE1 MET 24 2.641 -6.759 2.114 202 HE2 MET 24 HE2 MET 24 3.875 -6.024 3.138 203 HE3 MET 24 HE3 MET 24 3.542 -7.752 3.261 204 H GLU 25 H GLU 25 6.817 -5.029 -3.626 205 HA GLU 25 HA GLU 25 9.433 -4.094 -3.002 206 HB2 GLU 25 HB2 GLU 25 8.265 -5.154 -5.569 207 HB3 GLU 25 HB3 GLU 25 9.961 -4.735 -5.376 208 HG2 GLU 25 HG2 GLU 25 8.430 -6.882 -3.931 209 HG3 GLU 25 HG3 GLU 25 9.704 -7.098 -5.128 210 H ASN 26 H ASN 26 6.783 -2.813 -4.922 211 HA ASN 26 HA ASN 26 8.230 -0.648 -6.080 212 HB2 ASN 26 HB2 ASN 26 5.288 -1.153 -5.660 213 HB3 ASN 26 HB3 ASN 26 5.886 0.318 -6.413 214 HD21 ASN 26 HD21 ASN 26 4.192 -1.821 -7.456 215 HD22 ASN 26 HD22 ASN 26 4.990 -2.413 -8.873 216 H ILE 27 H ILE 27 6.345 -1.021 -3.125 217 HA ILE 27 HA ILE 27 6.488 1.729 -2.378 218 HB ILE 27 HB ILE 27 5.681 -0.764 -0.882 219 HG12 ILE 27 HG12 ILE 27 4.130 1.667 -1.806 220 HG13 ILE 27 HG13 ILE 27 4.190 0.127 -2.652 221 HG21 ILE 27 HG21 ILE 27 5.644 2.053 0.207 222 HG22 ILE 27 HG22 ILE 27 6.656 0.727 0.785 223 HG23 ILE 27 HG23 ILE 27 4.903 0.643 0.967 224 HD11 ILE 27 HD11 ILE 27 3.080 -0.948 -0.753 225 HD12 ILE 27 HD12 ILE 27 2.118 0.371 -1.423 226 HD13 ILE 27 HD13 ILE 27 3.011 0.606 0.079 227 H ASN 28 H ASN 28 8.404 -1.158 -1.512 228 HA ASN 28 HA ASN 28 10.005 0.161 0.446 229 HB2 ASN 28 HB2 ASN 28 10.070 -2.484 -0.891 230 HB3 ASN 28 HB3 ASN 28 11.578 -1.913 -0.192 231 HD21 ASN 28 HD21 ASN 28 8.328 -2.945 0.446 232 HD22 ASN 28 HD22 ASN 28 8.516 -3.162 2.155 233 H ALA 29 H ALA 29 10.320 -0.204 -3.021 234 HA ALA 29 HA ALA 29 13.037 0.675 -3.171 235 HB1 ALA 29 HB1 ALA 29 12.628 0.920 -5.559 236 HB2 ALA 29 HB2 ALA 29 10.897 0.711 -5.296 237 HB3 ALA 29 HB3 ALA 29 12.006 -0.622 -4.969 238 H ALA 30 H ALA 30 9.948 2.262 -2.982 239 HA ALA 30 HA ALA 30 11.214 4.857 -3.509 240 HB1 ALA 30 HB1 ALA 30 9.333 4.307 -4.956 241 HB2 ALA 30 HB2 ALA 30 8.973 5.702 -3.938 242 HB3 ALA 30 HB3 ALA 30 8.295 4.123 -3.542 243 H LEU 31 H LEU 31 10.965 3.111 -0.908 244 HA LEU 31 HA LEU 31 9.664 4.806 0.950 245 HB2 LEU 31 HB2 LEU 31 11.658 2.611 1.256 246 HB3 LEU 31 HB3 LEU 31 11.296 3.646 2.622 247 HG LEU 31 HG LEU 31 9.344 1.881 1.138 248 HD11 LEU 31 HD11 LEU 31 10.429 1.764 3.945 249 HD12 LEU 31 HD12 LEU 31 10.868 0.688 2.619 250 HD13 LEU 31 HD13 LEU 31 9.224 0.678 3.254 251 HD21 LEU 31 HD21 LEU 31 7.711 2.569 2.831 252 HD22 LEU 31 HD22 LEU 31 8.245 3.941 1.860 253 HD23 LEU 31 HD23 LEU 31 8.877 3.717 3.492 254 HA PRO 32 HA PRO 32 13.858 7.142 1.519 255 HB2 PRO 32 HB2 PRO 32 15.625 7.067 -0.538 256 HB3 PRO 32 HB3 PRO 32 15.728 5.992 0.860 257 HG2 PRO 32 HG2 PRO 32 14.564 5.462 -1.849 258 HG3 PRO 32 HG3 PRO 32 15.657 4.452 -0.882 259 HD2 PRO 32 HD2 PRO 32 13.020 3.978 -0.962 260 HD3 PRO 32 HD3 PRO 32 13.965 3.742 0.524 261 H PHE 33 H PHE 33 11.769 6.840 -1.076 262 HA PHE 33 HA PHE 33 12.302 9.545 -2.099 263 HB2 PHE 33 HB2 PHE 33 10.840 7.221 -3.387 264 HB3 PHE 33 HB3 PHE 33 10.955 8.832 -4.086 265 HD1 PHE 33 HD2 PHE 33 13.208 9.720 -4.740 266 HD2 PHE 33 HD1 PHE 33 12.579 5.657 -3.643 267 HE1 PHE 33 HE2 PHE 33 15.334 9.102 -5.812 268 HE2 PHE 33 HE1 PHE 33 14.702 5.036 -4.711 269 HZ PHE 33 HZ PHE 33 16.082 6.758 -5.798 270 H MET 34 H MET 34 9.814 9.987 -3.281 271 HA MET 34 HA MET 34 7.719 10.790 -2.976 272 HB2 MET 34 HB2 MET 34 7.634 8.785 -0.717 273 HB3 MET 34 HB3 MET 34 6.260 9.768 -1.192 274 HG2 MET 34 HG2 MET 34 6.442 8.757 -3.474 275 HG3 MET 34 HG3 MET 34 7.660 7.665 -2.819 276 HE1 MET 34 HE1 MET 34 6.582 7.020 0.095 277 HE2 MET 34 HE2 MET 34 7.149 5.773 -1.016 278 HE3 MET 34 HE3 MET 34 5.590 5.591 -0.209 279 H ASP 35 H ASP 35 6.205 11.648 -0.969 280 HA ASP 35 HA ASP 35 7.676 13.601 0.533 281 HB2 ASP 35 HB2 ASP 35 4.806 12.639 0.697 282 HB3 ASP 35 HB3 ASP 35 5.454 13.907 1.727 283 H GLU 36 H GLU 36 7.726 13.670 2.930 284 HA GLU 36 HA GLU 36 8.165 11.135 4.164 285 HB2 GLU 36 HB2 GLU 36 9.227 13.354 4.807 286 HB3 GLU 36 HB3 GLU 36 7.701 13.755 5.581 287 HG2 GLU 36 HG2 GLU 36 7.930 11.947 7.125 288 HG3 GLU 36 HG3 GLU 36 9.350 11.332 6.279 289 H ASP 37 H ASP 37 5.439 13.236 3.763 290 HA ASP 37 HA ASP 37 3.629 12.106 5.628 291 HB2 ASP 37 HB2 ASP 37 3.013 13.304 2.915 292 HB3 ASP 37 HB3 ASP 37 1.877 13.095 4.242 293 H MET 38 H MET 38 4.368 11.396 2.251 294 HA MET 38 HA MET 38 2.464 9.274 1.974 295 HB2 MET 38 HB2 MET 38 3.735 10.873 0.218 296 HB3 MET 38 HB3 MET 38 4.770 9.457 0.117 297 HG2 MET 38 HG2 MET 38 3.154 9.272 -1.598 298 HG3 MET 38 HG3 MET 38 2.726 8.099 -0.352 299 HE1 MET 38 HE1 MET 38 -0.736 9.342 -1.838 300 HE2 MET 38 HE2 MET 38 0.321 7.948 -1.613 301 HE3 MET 38 HE3 MET 38 0.775 9.226 -2.741 302 H ARG 39 H ARG 39 5.771 9.514 2.946 303 HA ARG 39 HA ARG 39 6.580 6.797 2.706 304 HB2 ARG 39 HB2 ARG 39 8.097 8.716 2.835 305 HB3 ARG 39 HB3 ARG 39 7.546 9.056 4.460 306 HG2 ARG 39 HG2 ARG 39 8.554 6.996 5.248 307 HG3 ARG 39 HG3 ARG 39 9.069 6.608 3.602 308 HD2 ARG 39 HD2 ARG 39 9.908 9.022 5.211 309 HD3 ARG 39 HD3 ARG 39 10.906 7.606 4.864 310 HE ARG 39 HE ARG 39 10.107 8.531 2.408 311 HH11 ARG 39 HH11 ARG 39 11.893 9.922 5.096 312 HH12 ARG 39 HH12 ARG 39 12.840 10.954 4.072 313 HH21 ARG 39 HH21 ARG 39 11.341 9.861 1.094 314 HH22 ARG 39 HH22 ARG 39 12.554 10.893 1.785 315 H GLU 40 H GLU 40 5.398 8.741 5.455 316 HA GLU 40 HA GLU 40 5.240 6.605 7.301 317 HB2 GLU 40 HB2 GLU 40 3.883 9.292 7.164 318 HB3 GLU 40 HB3 GLU 40 3.641 8.177 8.499 319 HG2 GLU 40 HG2 GLU 40 6.315 9.261 7.653 320 HG3 GLU 40 HG3 GLU 40 5.319 9.937 8.942 321 H LEU 41 H LEU 41 3.014 7.891 4.931 322 HA LEU 41 HA LEU 41 0.703 6.432 5.645 323 HB2 LEU 41 HB2 LEU 41 0.874 8.416 4.080 324 HB3 LEU 41 HB3 LEU 41 1.531 7.328 2.875 325 HG LEU 41 HG LEU 41 -0.630 6.008 3.077 326 HD11 LEU 41 HD11 LEU 41 -1.582 8.527 4.426 327 HD12 LEU 41 HD12 LEU 41 -1.340 6.976 5.229 328 HD13 LEU 41 HD13 LEU 41 -2.563 7.133 3.967 329 HD21 LEU 41 HD21 LEU 41 -1.855 7.543 1.620 330 HD22 LEU 41 HD22 LEU 41 -0.150 7.441 1.179 331 HD23 LEU 41 HD23 LEU 41 -0.749 8.844 2.066 332 H ALA 42 H ALA 42 3.487 5.707 3.610 333 HA ALA 42 HA ALA 42 2.541 3.494 2.223 334 HB1 ALA 42 HB1 ALA 42 4.844 3.019 1.711 335 HB2 ALA 42 HB2 ALA 42 5.379 4.048 3.039 336 HB3 ALA 42 HB3 ALA 42 4.560 4.761 1.648 337 H LYS 43 H LYS 43 4.075 3.649 5.384 338 HA LYS 43 HA LYS 43 4.310 0.795 5.602 339 HB2 LYS 43 HB2 LYS 43 4.717 3.001 7.621 340 HB3 LYS 43 HB3 LYS 43 5.059 1.299 7.924 341 HG2 LYS 43 HG2 LYS 43 6.714 1.275 6.162 342 HG3 LYS 43 HG3 LYS 43 6.320 2.937 5.731 343 HD2 LYS 43 HD2 LYS 43 7.405 2.098 8.415 344 HD3 LYS 43 HD3 LYS 43 8.403 2.672 7.078 345 HE2 LYS 43 HE2 LYS 43 7.068 4.772 7.076 346 HE3 LYS 43 HE3 LYS 43 6.245 4.192 8.524 347 HZ1 LYS 43 HZ1 LYS 43 9.150 4.713 8.252 348 HZ2 LYS 43 HZ2 LYS 43 8.402 4.092 9.636 349 HZ3 LYS 43 HZ3 LYS 43 8.036 5.661 9.109 350 H ARG 44 H ARG 44 1.959 3.204 6.548 351 HA ARG 44 HA ARG 44 0.369 1.529 8.215 352 HB2 ARG 44 HB2 ARG 44 0.062 4.165 6.915 353 HB3 ARG 44 HB3 ARG 44 -1.435 3.288 7.176 354 HG2 ARG 44 HG2 ARG 44 -1.171 4.692 9.033 355 HG3 ARG 44 HG3 ARG 44 -0.756 3.077 9.597 356 HD2 ARG 44 HD2 ARG 44 1.369 4.982 8.668 357 HD3 ARG 44 HD3 ARG 44 0.718 5.083 10.300 358 HE ARG 44 HE ARG 44 1.415 2.460 10.016 359 HH11 ARG 44 HH11 ARG 44 3.183 5.476 9.642 360 HH12 ARG 44 HH12 ARG 44 4.684 4.788 10.186 361 HH21 ARG 44 HH21 ARG 44 3.367 1.583 10.676 362 HH22 ARG 44 HH22 ARG 44 4.797 2.571 10.745 363 H THR 45 H THR 45 0.433 2.171 4.740 364 HA THR 45 HA THR 45 -1.870 0.543 4.232 365 HB THR 45 HB THR 45 0.036 1.344 2.061 366 HG1 THR 45 HG1 THR 45 -1.655 2.995 3.638 367 HG21 THR 45 HG21 THR 45 -1.922 -0.022 1.543 368 HG22 THR 45 HG22 THR 45 -2.072 1.593 0.846 369 HG23 THR 45 HG23 THR 45 -2.962 1.177 2.311 370 H LEU 46 H LEU 46 1.614 0.018 4.260 371 HA LEU 46 HA LEU 46 1.549 -2.604 3.211 372 HB2 LEU 46 HB2 LEU 46 3.468 -1.226 5.067 373 HB3 LEU 46 HB3 LEU 46 3.655 -2.921 4.657 374 HG LEU 46 HG LEU 46 3.725 -0.593 2.729 375 HD11 LEU 46 HD11 LEU 46 6.051 -1.324 2.380 376 HD12 LEU 46 HD12 LEU 46 5.852 -2.510 3.672 377 HD13 LEU 46 HD13 LEU 46 5.749 -0.785 4.032 378 HD21 LEU 46 HD21 LEU 46 4.261 -2.250 1.013 379 HD22 LEU 46 HD22 LEU 46 2.661 -2.540 1.701 380 HD23 LEU 46 HD23 LEU 46 4.025 -3.546 2.187 381 H ALA 47 H ALA 47 0.711 -1.342 6.361 382 HA ALA 47 HA ALA 47 0.489 -3.822 7.716 383 HB1 ALA 47 HB1 ALA 47 0.594 -1.705 8.909 384 HB2 ALA 47 HB2 ALA 47 -0.851 -2.618 9.349 385 HB3 ALA 47 HB3 ALA 47 -0.975 -1.248 8.245 386 H LYS 48 H LYS 48 -1.530 -2.311 5.322 387 HA LYS 48 HA LYS 48 -3.884 -3.847 5.803 388 HB2 LYS 48 HB2 LYS 48 -4.056 -1.903 4.364 389 HB3 LYS 48 HB3 LYS 48 -2.805 -2.525 3.292 390 HG2 LYS 48 HG2 LYS 48 -4.435 -4.499 2.912 391 HG3 LYS 48 HG3 LYS 48 -5.653 -3.418 3.587 392 HD2 LYS 48 HD2 LYS 48 -5.047 -1.748 1.848 393 HD3 LYS 48 HD3 LYS 48 -3.955 -2.943 1.141 394 HE2 LYS 48 HE2 LYS 48 -5.783 -4.433 0.686 395 HE3 LYS 48 HE3 LYS 48 -6.907 -3.396 1.561 396 HZ1 LYS 48 HZ1 LYS 48 -6.512 -1.669 -0.107 397 HZ2 LYS 48 HZ2 LYS 48 -7.145 -3.073 -0.798 398 HZ3 LYS 48 HZ3 LYS 48 -5.502 -2.719 -0.967 399 H ILE 49 H ILE 49 -1.090 -4.258 3.600 400 HA ILE 49 HA ILE 49 -2.383 -6.571 2.454 401 HB ILE 49 HB ILE 49 0.336 -5.750 1.550 402 HG12 ILE 49 HG12 ILE 49 -2.164 -4.243 0.737 403 HG13 ILE 49 HG13 ILE 49 -0.983 -3.609 1.879 404 HG21 ILE 49 HG21 ILE 49 -0.778 -7.629 0.508 405 HG22 ILE 49 HG22 ILE 49 -0.652 -6.294 -0.639 406 HG23 ILE 49 HG23 ILE 49 -2.188 -6.630 0.164 407 HD11 ILE 49 HD11 ILE 49 -0.411 -4.346 -0.986 408 HD12 ILE 49 HD12 ILE 49 0.724 -3.629 0.160 409 HD13 ILE 49 HD13 ILE 49 -0.683 -2.712 -0.377 410 H ALA 50 H ALA 50 0.153 -6.031 4.778 411 HA ALA 50 HA ALA 50 1.669 -8.331 4.436 412 HB1 ALA 50 HB1 ALA 50 2.507 -8.002 6.664 413 HB2 ALA 50 HB2 ALA 50 1.139 -6.966 7.069 414 HB3 ALA 50 HB3 ALA 50 2.318 -6.442 5.865 415 HA PRO 51 HA PRO 51 -1.208 -10.999 7.158 416 HB2 PRO 51 HB2 PRO 51 -3.631 -10.155 7.953 417 HB3 PRO 51 HB3 PRO 51 -2.165 -9.836 8.888 418 HG2 PRO 51 HG2 PRO 51 -3.650 -8.036 7.016 419 HG3 PRO 51 HG3 PRO 51 -2.957 -7.675 8.608 420 HD2 PRO 51 HD2 PRO 51 -1.732 -7.043 6.255 421 HD3 PRO 51 HD3 PRO 51 -0.853 -7.376 7.762 422 H LEU 52 H LEU 52 -2.162 -9.213 4.433 423 HA LEU 52 HA LEU 52 -4.359 -10.966 3.691 424 HB2 LEU 52 HB2 LEU 52 -2.953 -8.864 2.045 425 HB3 LEU 52 HB3 LEU 52 -4.413 -9.712 1.583 426 HG LEU 52 HG LEU 52 -4.123 -7.719 3.830 427 HD11 LEU 52 HD11 LEU 52 -4.145 -6.739 1.602 428 HD12 LEU 52 HD12 LEU 52 -5.620 -6.358 2.492 429 HD13 LEU 52 HD13 LEU 52 -5.643 -7.597 1.234 430 HD21 LEU 52 HD21 LEU 52 -5.695 -9.475 4.451 431 HD22 LEU 52 HD22 LEU 52 -6.564 -9.243 2.933 432 HD23 LEU 52 HD23 LEU 52 -6.528 -7.953 4.134 433 H THR 53 H THR 53 -4.213 -12.662 2.354 434 HA THR 53 HA THR 53 -1.525 -13.663 1.923 435 HB THR 53 HB THR 53 -3.177 -15.025 3.100 436 HG1 THR 53 HG1 THR 53 -1.752 -16.383 2.259 437 HG21 THR 53 HG21 THR 53 -5.011 -16.128 1.909 438 HG22 THR 53 HG22 THR 53 -4.661 -15.158 0.475 439 HG23 THR 53 HG23 THR 53 -5.212 -14.380 1.963 440 H GLU 54 H GLU 54 -2.782 -11.584 0.126 441 HA GLU 54 HA GLU 54 -2.304 -10.810 -1.941 442 HB2 GLU 54 HB2 GLU 54 -0.246 -12.130 -1.963 443 HB3 GLU 54 HB3 GLU 54 -1.131 -13.523 -2.567 444 HG2 GLU 54 HG2 GLU 54 -1.617 -12.369 -4.633 445 HG3 GLU 54 HG3 GLU 54 -0.866 -10.896 -4.023 446 H ASN 55 H ASN 55 -3.564 -14.136 -2.202 447 HA ASN 55 HA ASN 55 -5.327 -13.674 -4.367 448 HB2 ASN 55 HB2 ASN 55 -5.646 -15.602 -2.039 449 HB3 ASN 55 HB3 ASN 55 -6.500 -15.694 -3.569 450 HD21 ASN 55 HD21 ASN 55 -3.539 -16.328 -1.893 451 HD22 ASN 55 HD22 ASN 55 -2.772 -17.208 -3.165 452 H GLU 56 H GLU 56 -5.607 -13.319 -0.908 453 HA GLU 56 HA GLU 56 -8.287 -12.469 -0.702 454 HB2 GLU 56 HB2 GLU 56 -6.870 -13.410 1.085 455 HB3 GLU 56 HB3 GLU 56 -5.875 -11.968 1.045 456 HG2 GLU 56 HG2 GLU 56 -7.686 -10.638 1.887 457 HG3 GLU 56 HG3 GLU 56 -8.783 -12.021 1.801 458 H TYR 57 H TYR 57 -5.243 -10.770 -1.254 459 HA TYR 57 HA TYR 57 -6.289 -8.124 -1.029 460 HB2 TYR 57 HB2 TYR 57 -3.922 -8.534 -0.651 461 HB3 TYR 57 HB3 TYR 57 -3.731 -9.173 -2.277 462 HD1 TYR 57 HD1 TYR 57 -4.913 -6.027 -0.610 463 HD2 TYR 57 HD2 TYR 57 -2.753 -7.771 -3.836 464 HE1 TYR 57 HE1 TYR 57 -4.327 -3.784 -1.422 465 HE2 TYR 57 HE2 TYR 57 -2.157 -5.528 -4.654 466 HH TYR 57 HH TYR 57 -2.885 -3.258 -4.507 467 H ALA 58 H ALA 58 -6.242 -10.486 -3.578 468 HA ALA 58 HA ALA 58 -6.405 -8.690 -5.782 469 HB1 ALA 58 HB1 ALA 58 -7.213 -11.585 -5.654 470 HB2 ALA 58 HB2 ALA 58 -5.588 -10.990 -5.995 471 HB3 ALA 58 HB3 ALA 58 -6.909 -10.642 -7.113 472 H GLU 59 H GLU 59 -8.817 -9.980 -3.605 473 HA GLU 59 HA GLU 59 -11.064 -9.291 -5.258 474 HB2 GLU 59 HB2 GLU 59 -10.922 -9.790 -2.282 475 HB3 GLU 59 HB3 GLU 59 -12.404 -9.617 -3.209 476 HG2 GLU 59 HG2 GLU 59 -11.659 -11.606 -4.553 477 HG3 GLU 59 HG3 GLU 59 -10.378 -11.825 -3.357 478 H LEU 60 H LEU 60 -9.046 -7.654 -2.982 479 HA LEU 60 HA LEU 60 -10.939 -5.501 -2.496 480 HB2 LEU 60 HB2 LEU 60 -8.089 -5.773 -1.534 481 HB3 LEU 60 HB3 LEU 60 -9.307 -4.679 -0.914 482 HG LEU 60 HG LEU 60 -9.430 -7.688 -0.684 483 HD11 LEU 60 HD11 LEU 60 -8.889 -7.312 1.674 484 HD12 LEU 60 HD12 LEU 60 -8.665 -5.593 1.342 485 HD13 LEU 60 HD13 LEU 60 -7.590 -6.781 0.607 486 HD21 LEU 60 HD21 LEU 60 -11.217 -7.260 0.919 487 HD22 LEU 60 HD22 LEU 60 -11.630 -6.628 -0.675 488 HD23 LEU 60 HD23 LEU 60 -11.102 -5.528 0.599 489 H ALA 61 H ALA 61 -7.533 -5.658 -3.403 490 HA ALA 61 HA ALA 61 -6.113 -4.226 -4.363 491 HB1 ALA 61 HB1 ALA 61 -6.516 -3.768 -6.680 492 HB2 ALA 61 HB2 ALA 61 -8.245 -4.050 -6.473 493 HB3 ALA 61 HB3 ALA 61 -7.103 -5.384 -6.289 494 H ILE 62 H ILE 62 -8.363 -2.224 -6.055 495 HA ILE 62 HA ILE 62 -7.960 -0.106 -4.039 496 HB ILE 62 HB ILE 62 -8.503 0.400 -6.967 497 HG12 ILE 62 HG12 ILE 62 -6.352 -0.736 -6.871 498 HG13 ILE 62 HG13 ILE 62 -6.125 0.963 -7.255 499 HG21 ILE 62 HG21 ILE 62 -9.087 2.209 -5.467 500 HG22 ILE 62 HG22 ILE 62 -7.696 2.653 -6.457 501 HG23 ILE 62 HG23 ILE 62 -7.465 2.182 -4.773 502 HD11 ILE 62 HD11 ILE 62 -5.434 1.387 -4.952 503 HD12 ILE 62 HD12 ILE 62 -4.426 0.167 -5.732 504 HD13 ILE 62 HD13 ILE 62 -5.665 -0.321 -4.575 505 H PHE 63 H PHE 63 -9.791 -0.073 -2.907 506 HA PHE 63 HA PHE 63 -12.313 -0.259 -4.379 507 HB2 PHE 63 HB2 PHE 63 -13.318 -0.925 -2.153 508 HB3 PHE 63 HB3 PHE 63 -12.226 -2.085 -2.886 509 HD1 PHE 63 HD1 PHE 63 -12.633 0.353 -0.151 510 HD2 PHE 63 HD2 PHE 63 -10.205 -2.734 -1.793 511 HE1 PHE 63 HE1 PHE 63 -11.384 0.213 1.961 512 HE2 PHE 63 HE2 PHE 63 -8.953 -2.872 0.318 513 HZ PHE 63 HZ PHE 63 -9.543 -1.397 2.197 514 H ALA 64 H ALA 64 -10.377 2.030 -3.054 515 HA ALA 64 HA ALA 64 -12.579 3.904 -2.742 516 HB1 ALA 64 HB1 ALA 64 -11.901 4.672 -0.542 517 HB2 ALA 64 HB2 ALA 64 -10.628 3.453 -0.487 518 HB3 ALA 64 HB3 ALA 64 -12.322 2.960 -0.486 519 H ALA 65 H ALA 65 -11.479 4.601 -4.735 520 HA ALA 65 HA ALA 65 -9.430 6.598 -4.014 521 HB1 ALA 65 HB1 ALA 65 -9.509 5.051 -6.606 522 HB2 ALA 65 HB2 ALA 65 -8.360 4.794 -5.292 523 HB3 ALA 65 HB3 ALA 65 -8.355 6.316 -6.182 524 H ASP 66 H ASP 66 -12.458 6.353 -4.545 525 HA ASP 66 HA ASP 66 -13.006 7.939 -6.868 526 HB2 ASP 66 HB2 ASP 66 -14.817 7.265 -4.535 527 HB3 ASP 66 HB3 ASP 66 -15.329 7.838 -6.118 528 H GLU 67 H GLU 67 -12.633 8.510 -3.460 529 HA GLU 67 HA GLU 67 -13.818 11.109 -3.416 530 HB2 GLU 67 HB2 GLU 67 -12.073 9.685 -1.400 531 HB3 GLU 67 HB3 GLU 67 -12.984 11.158 -1.087 532 HG2 GLU 67 HG2 GLU 67 -14.262 8.571 -1.927 533 HG3 GLU 67 HG3 GLU 67 -13.981 9.004 -0.245 534 H VAL 68 H VAL 68 -10.542 9.876 -3.818 535 HA VAL 68 HA VAL 68 -9.351 12.497 -3.476 536 HB VAL 68 HB VAL 68 -7.205 11.331 -4.209 537 HG11 VAL 68 HG11 VAL 68 -6.882 10.299 -2.008 538 HG12 VAL 68 HG12 VAL 68 -8.619 10.393 -1.716 539 HG13 VAL 68 HG13 VAL 68 -7.673 11.872 -1.895 540 HG21 VAL 68 HG21 VAL 68 -7.151 8.897 -3.994 541 HG22 VAL 68 HG22 VAL 68 -8.211 9.399 -5.313 542 HG23 VAL 68 HG23 VAL 68 -8.903 8.873 -3.777 543 H LEU 69 H LEU 69 -10.946 11.075 -6.005 544 HA LEU 69 HA LEU 69 -9.393 12.026 -8.203 545 HB2 LEU 69 HB2 LEU 69 -12.343 11.422 -8.000 546 HB3 LEU 69 HB3 LEU 69 -11.505 11.777 -9.496 547 HG LEU 69 HG LEU 69 -10.916 9.398 -7.734 548 HD11 LEU 69 HD11 LEU 69 -12.508 9.597 -10.283 549 HD12 LEU 69 HD12 LEU 69 -13.152 9.263 -8.675 550 HD13 LEU 69 HD13 LEU 69 -12.074 8.102 -9.452 551 HD21 LEU 69 HD21 LEU 69 -9.013 10.111 -9.086 552 HD22 LEU 69 HD22 LEU 69 -10.025 10.101 -10.530 553 HD23 LEU 69 HD23 LEU 69 -9.677 8.591 -9.687 554 H GLU 70 H GLU 70 -12.156 13.302 -6.383 555 HA GLU 70 HA GLU 70 -11.998 15.765 -7.943 556 HB2 GLU 70 HB2 GLU 70 -14.223 14.713 -6.192 557 HB3 GLU 70 HB3 GLU 70 -14.269 16.240 -7.064 558 HG2 GLU 70 HG2 GLU 70 -14.076 15.035 -9.181 559 HG3 GLU 70 HG3 GLU 70 -14.026 13.506 -8.304 560 H HIS 71 H HIS 71 -10.054 16.242 -6.723 561 HA HIS 71 HA HIS 71 -10.800 17.984 -4.470 562 HB2 HIS 71 HB2 HIS 71 -8.232 16.405 -4.783 563 HB3 HIS 71 HB3 HIS 71 -8.362 17.798 -3.722 564 HD1 HIS 71 HD1 HIS 71 -8.102 14.455 -3.287 565 HD2 HIS 71 HD2 HIS 71 -11.035 17.135 -2.060 566 HE1 HIS 71 HE1 HIS 71 -9.255 13.361 -1.345 567 HE2 HIS 71 HE2 HIS 71 -11.119 14.924 -0.711 568 H HIS 72 H HIS 72 -11.184 19.668 -5.803 569 HA HIS 72 HA HIS 72 -10.914 21.419 -7.186 570 HB2 HIS 72 HB2 HIS 72 -7.959 20.899 -6.835 571 HB3 HIS 72 HB3 HIS 72 -8.581 22.192 -7.854 572 HD1 HIS 72 HD1 HIS 72 -6.951 22.169 -4.951 573 HD2 HIS 72 HD2 HIS 72 -10.825 23.419 -5.801 574 HE1 HIS 72 HE1 HIS 72 -7.532 23.840 -3.163 575 HE2 HIS 72 HE2 HIS 72 -9.811 24.705 -3.790 576 H HIS 73 H HIS 73 -10.082 22.034 -9.455 577 HA HIS 73 HA HIS 73 -9.883 19.582 -11.071 578 HB2 HIS 73 HB2 HIS 73 -12.224 20.698 -10.936 579 HB3 HIS 73 HB3 HIS 73 -11.531 21.937 -11.972 580 HD1 HIS 73 HD1 HIS 73 -12.182 21.547 -14.321 581 HD2 HIS 73 HD2 HIS 73 -11.557 17.978 -12.283 582 HE1 HIS 73 HE1 HIS 73 -12.494 19.728 -16.024 583 HE2 HIS 73 HE2 HIS 73 -12.290 17.577 -14.733 584 H HIS 74 H HIS 74 -7.926 21.661 -10.155 585 HA HIS 74 HA HIS 74 -7.080 22.877 -12.644 586 HB2 HIS 74 HB2 HIS 74 -6.740 24.096 -10.509 587 HB3 HIS 74 HB3 HIS 74 -5.685 22.801 -9.954 588 HD1 HIS 74 HD1 HIS 74 -3.247 23.044 -10.495 589 HD2 HIS 74 HD2 HIS 74 -5.632 25.551 -12.794 590 HE1 HIS 74 HE1 HIS 74 -1.657 24.455 -11.825 591 HE2 HIS 74 HE2 HIS 74 -3.120 25.817 -13.352 592 H HIS 75 H HIS 75 -6.619 21.306 -14.046 593 HA HIS 75 HA HIS 75 -5.548 19.679 -15.167 594 HB2 HIS 75 HB2 HIS 75 -3.556 21.080 -14.646 595 HB3 HIS 75 HB3 HIS 75 -3.282 20.094 -13.215 596 HD1 HIS 75 HD1 HIS 75 -1.897 18.016 -13.520 597 HD2 HIS 75 HD2 HIS 75 -3.215 19.594 -17.139 598 HE1 HIS 75 HE1 HIS 75 -0.733 16.680 -15.309 599 HE2 HIS 75 HE2 HIS 75 -1.475 17.717 -17.483 600 H HIS 76 H HIS 76 -6.564 17.816 -15.014 601 HA HIS 76 HA HIS 76 -7.112 15.686 -14.447 602 HB2 HIS 76 HB2 HIS 76 -4.638 15.384 -14.267 603 HB3 HIS 76 HB3 HIS 76 -4.730 15.795 -12.567 604 HD1 HIS 76 HD1 HIS 76 -4.898 12.995 -14.889 605 HD2 HIS 76 HD2 HIS 76 -6.086 13.746 -10.974 606 HE1 HIS 76 HE1 HIS 76 -5.252 10.738 -13.840 607 HE2 HIS 76 HE2 HIS 76 -5.948 11.209 -11.467
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