NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21672 | 2hvz | 7257 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.982 -0.973 -1.698 3 1HB MET 1 2HB MET 1 0.476 1.097 -2.109 4 2HB MET 1 3HB MET 1 1.959 2.023 -1.921 5 1HG MET 1 2HG MET 1 1.612 1.664 -4.241 6 2HG MET 1 3HG MET 1 2.966 0.656 -3.736 7 1HE MET 1 1HE MET 1 1.129 0.853 -6.166 8 2HE MET 1 2HE MET 1 1.654 -0.768 -6.624 9 3HE MET 1 3HE MET 1 -0.063 -0.425 -6.406 10 H LYS 2 H LYS 2 4.082 -0.856 -2.557 11 HA LYS 2 HA LYS 2 6.052 0.376 -0.745 12 1HB LYS 2 2HB LYS 2 5.967 -2.232 -2.163 13 2HB LYS 2 3HB LYS 2 7.534 -1.443 -2.047 14 1HG LYS 2 2HG LYS 2 7.347 -1.376 0.372 15 2HG LYS 2 3HG LYS 2 5.743 -2.106 0.282 16 1HD LYS 2 2HD LYS 2 7.184 -3.900 -1.137 17 2HD LYS 2 3HD LYS 2 8.408 -3.334 0.003 18 1HE LYS 2 2HE LYS 2 7.306 -4.182 1.817 19 2HE LYS 2 3HE LYS 2 5.719 -4.011 1.069 20 1HZ LYS 2 1HZ LYS 2 6.428 -6.338 1.318 21 2HZ LYS 2 2HZ LYS 2 7.736 -6.045 0.288 22 3HZ LYS 2 3HZ LYS 2 6.154 -5.918 -0.298 23 H VAL 3 H VAL 3 7.628 1.667 -1.563 24 HA VAL 3 HA VAL 3 7.750 1.999 -4.485 25 HB VAL 3 HB VAL 3 8.036 4.372 -2.677 26 1HG1 VAL 3 1HG1 VAL 3 8.724 4.945 -4.798 27 2HG1 VAL 3 2HG1 VAL 3 7.562 3.872 -5.581 28 3HG1 VAL 3 3HG1 VAL 3 7.018 5.387 -4.858 29 1HG2 VAL 3 1HG2 VAL 3 5.882 3.439 -2.086 30 2HG2 VAL 3 2HG2 VAL 3 5.654 4.893 -3.057 31 3HG2 VAL 3 3HG2 VAL 3 5.443 3.303 -3.789 32 H TYR 4 H TYR 4 9.752 2.549 -5.335 33 HA TYR 4 HA TYR 4 12.001 2.562 -3.433 34 1HB TYR 4 2HB TYR 4 11.726 1.037 -6.021 35 2HB TYR 4 3HB TYR 4 13.286 1.336 -5.263 36 HD1 TYR 4 HD1 TYR 4 11.429 -1.269 -5.819 37 HD2 TYR 4 HD2 TYR 4 12.597 0.984 -2.404 38 HE1 TYR 4 HE1 TYR 4 11.117 -3.259 -4.407 39 HE2 TYR 4 HE2 TYR 4 12.289 -0.999 -0.983 40 HH TYR 4 HH TYR 4 11.855 -3.183 -0.938 41 H VAL 5 H VAL 5 12.669 4.623 -3.491 42 HA VAL 5 HA VAL 5 13.085 5.870 -6.130 43 HB VAL 5 HB VAL 5 13.149 8.037 -4.734 44 1HG1 VAL 5 1HG1 VAL 5 10.419 6.845 -4.719 45 2HG1 VAL 5 2HG1 VAL 5 10.956 8.433 -5.272 46 3HG1 VAL 5 3HG1 VAL 5 11.270 7.003 -6.256 47 1HG2 VAL 5 1HG2 VAL 5 11.803 7.963 -2.677 48 2HG2 VAL 5 2HG2 VAL 5 11.729 6.205 -2.800 49 3HG2 VAL 5 3HG2 VAL 5 13.278 7.006 -2.538 50 H GLY 6 H GLY 6 15.162 5.467 -6.651 51 1HA GLY 6 2HA GLY 6 17.208 6.145 -4.628 52 2HA GLY 6 3HA GLY 6 17.410 4.850 -5.800 53 H ASN 7 H ASN 7 19.362 5.834 -6.505 54 HA ASN 7 HA ASN 7 20.610 7.061 -7.957 55 1HB ASN 7 2HB ASN 7 17.860 7.318 -9.048 56 2HB ASN 7 3HB ASN 7 19.055 8.470 -9.637 57 1HD2 ASN 7 1HD2 ASN 7 18.651 5.000 -9.044 58 2HD2 ASN 7 2HD2 ASN 7 19.515 4.485 -10.449 59 H LEU 8 H LEU 8 20.824 8.215 -5.734 60 HA LEU 8 HA LEU 8 19.935 11.008 -5.979 61 1HB LEU 8 2HB LEU 8 21.124 9.837 -3.497 62 2HB LEU 8 3HB LEU 8 20.041 11.217 -3.667 63 HG LEU 8 HG LEU 8 19.228 8.340 -4.071 64 1HD1 LEU 8 1HD1 LEU 8 19.749 9.720 -1.669 65 2HD1 LEU 8 2HD1 LEU 8 18.992 8.141 -1.878 66 3HD1 LEU 8 3HD1 LEU 8 17.997 9.596 -1.826 67 1HD2 LEU 8 1HD2 LEU 8 17.232 10.409 -3.485 68 2HD2 LEU 8 2HD2 LEU 8 17.183 9.075 -4.637 69 3HD2 LEU 8 3HD2 LEU 8 18.026 10.568 -5.052 70 H GLY 9 H GLY 9 21.612 11.504 -7.501 71 1HA GLY 9 2HA GLY 9 24.118 12.172 -6.154 72 2HA GLY 9 3HA GLY 9 24.228 11.145 -7.576 73 H THR 10 H THR 10 22.328 14.050 -6.766 74 HA THR 10 HA THR 10 23.734 15.789 -8.471 75 HB THR 10 HB THR 10 22.768 14.352 -10.246 76 HG1 THR 10 HG1 THR 10 21.476 16.871 -10.335 77 1HG2 THR 10 1HG2 THR 10 20.487 14.399 -8.657 78 2HG2 THR 10 2HG2 THR 10 20.621 13.732 -10.284 79 3HG2 THR 10 3HG2 THR 10 20.068 15.391 -10.053 80 H GLY 11 H GLY 11 22.564 15.815 -5.869 81 1HA GLY 11 2HA GLY 11 21.611 17.486 -4.576 82 2HA GLY 11 3HA GLY 11 21.146 18.317 -6.053 83 H ALA 12 H ALA 12 20.271 14.995 -5.681 84 HA ALA 12 HA ALA 12 17.531 15.779 -4.944 85 1HB ALA 12 1HB ALA 12 16.596 14.313 -6.580 86 2HB ALA 12 2HB ALA 12 17.759 15.359 -7.396 87 3HB ALA 12 3HB ALA 12 18.189 13.692 -7.013 88 H GLY 13 H GLY 13 17.337 14.967 -2.938 89 1HA GLY 13 2HA GLY 13 17.869 12.087 -2.605 90 2HA GLY 13 3HA GLY 13 18.432 13.237 -1.402 91 H LYS 14 H LYS 14 17.218 13.111 0.356 92 HA LYS 14 HA LYS 14 14.612 12.042 0.426 93 1HB LYS 14 2HB LYS 14 16.313 12.228 2.331 94 2HB LYS 14 3HB LYS 14 15.761 13.888 2.513 95 1HG LYS 14 2HG LYS 14 13.396 12.637 2.562 96 2HG LYS 14 3HG LYS 14 14.420 11.353 3.208 97 1HD LYS 14 2HD LYS 14 13.849 12.468 5.136 98 2HD LYS 14 3HD LYS 14 15.358 13.283 4.716 99 1HE LYS 14 2HE LYS 14 13.416 14.698 3.335 100 2HE LYS 14 3HE LYS 14 12.657 14.334 4.884 101 1HZ LYS 14 1HZ LYS 14 14.959 15.147 5.785 102 2HZ LYS 14 2HZ LYS 14 13.744 16.255 5.389 103 3HZ LYS 14 3HZ LYS 14 15.016 15.973 4.310 104 H GLY 15 H GLY 15 15.771 15.402 0.627 105 1HA GLY 15 2HA GLY 15 13.259 16.620 0.912 106 2HA GLY 15 3HA GLY 15 14.696 17.397 0.264 107 H GLU 16 H GLU 16 15.103 15.820 -2.009 108 HA GLU 16 HA GLU 16 13.364 17.062 -3.840 109 1HB GLU 16 2HB GLU 16 15.766 15.670 -3.981 110 2HB GLU 16 3HB GLU 16 14.643 14.670 -4.892 111 1HG GLU 16 2HG GLU 16 15.503 17.485 -5.414 112 2HG GLU 16 3HG GLU 16 15.560 16.086 -6.485 113 H LEU 17 H LEU 17 13.665 13.605 -3.009 114 HA LEU 17 HA LEU 17 11.414 12.758 -4.451 115 1HB LEU 17 2HB LEU 17 11.737 10.691 -3.497 116 2HB LEU 17 3HB LEU 17 13.341 11.410 -3.366 117 HG LEU 17 HG LEU 17 12.412 12.093 -0.968 118 1HD1 LEU 17 1HD1 LEU 17 11.255 9.632 -0.474 119 2HD1 LEU 17 2HD1 LEU 17 10.494 10.166 -1.972 120 3HD1 LEU 17 3HD1 LEU 17 10.427 11.188 -0.536 121 1HD2 LEU 17 1HD2 LEU 17 13.595 9.468 -1.838 122 2HD2 LEU 17 2HD2 LEU 17 13.401 9.914 -0.143 123 3HD2 LEU 17 3HD2 LEU 17 14.428 10.886 -1.199 124 H GLU 18 H GLU 18 11.750 14.130 -1.260 125 HA GLU 18 HA GLU 18 9.212 13.390 -0.252 126 1HB GLU 18 2HB GLU 18 10.934 14.114 1.267 127 2HB GLU 18 3HB GLU 18 11.060 15.670 0.459 128 1HG GLU 18 2HG GLU 18 8.882 16.312 1.229 129 2HG GLU 18 3HG GLU 18 8.602 14.707 1.902 130 H ARG 19 H ARG 19 10.371 16.385 -1.785 131 HA ARG 19 HA ARG 19 7.909 17.743 -1.717 132 1HB ARG 19 2HB ARG 19 10.413 18.474 -2.358 133 2HB ARG 19 3HB ARG 19 9.756 18.278 -3.977 134 1HG ARG 19 2HG ARG 19 9.009 20.358 -3.793 135 2HG ARG 19 3HG ARG 19 7.816 19.733 -2.653 136 1HD ARG 19 2HD ARG 19 10.571 20.680 -1.879 137 2HD ARG 19 3HD ARG 19 9.124 21.686 -1.812 138 HE ARG 19 HE ARG 19 8.741 19.274 -0.373 139 1HH1 ARG 19 1HH1 ARG 19 10.331 22.366 -0.196 140 2HH1 ARG 19 2HH1 ARG 19 10.315 22.422 1.535 141 1HH2 ARG 19 1HH2 ARG 19 8.715 19.335 1.907 142 2HH2 ARG 19 2HH2 ARG 19 9.396 20.697 2.730 143 H ALA 20 H ALA 20 9.392 15.678 -4.181 144 HA ALA 20 HA ALA 20 7.451 16.041 -6.180 145 1HB ALA 20 1HB ALA 20 8.906 14.809 -7.310 146 2HB ALA 20 2HB ALA 20 9.782 14.475 -5.816 147 3HB ALA 20 3HB ALA 20 8.486 13.398 -6.338 148 H PHE 21 H PHE 21 7.858 13.208 -4.044 149 HA PHE 21 HA PHE 21 5.505 11.913 -4.656 150 1HB PHE 21 2HB PHE 21 7.278 11.962 -2.260 151 2HB PHE 21 3HB PHE 21 5.706 11.184 -2.104 152 HD1 PHE 21 HD1 PHE 21 5.885 8.906 -2.215 153 HD2 PHE 21 HD2 PHE 21 8.307 11.286 -4.782 154 HE1 PHE 21 HE1 PHE 21 6.795 6.865 -3.244 155 HE2 PHE 21 HE2 PHE 21 9.220 9.249 -5.815 156 HZ PHE 21 HZ PHE 21 8.464 7.034 -5.047 157 H SER 22 H SER 22 6.046 14.359 -2.139 158 HA SER 22 HA SER 22 3.435 14.353 -1.101 159 1HB SER 22 2HB SER 22 5.114 15.381 0.221 160 2HB SER 22 3HB SER 22 5.623 16.431 -1.102 161 HG SER 22 HG SER 22 4.377 17.716 0.125 162 H TYR 23 H TYR 23 4.941 16.293 -3.651 163 HA TYR 23 HA TYR 23 2.841 18.055 -4.142 164 1HB TYR 23 2HB TYR 23 5.220 17.124 -5.597 165 2HB TYR 23 3HB TYR 23 3.915 17.690 -6.633 166 HD1 TYR 23 HD1 TYR 23 2.763 19.934 -5.350 167 HD2 TYR 23 HD2 TYR 23 6.846 18.737 -5.365 168 HE1 TYR 23 HE1 TYR 23 3.440 22.262 -4.937 169 HE2 TYR 23 HE2 TYR 23 7.535 21.062 -4.951 170 HH TYR 23 HH TYR 23 5.786 23.315 -3.761 171 H TYR 24 H TYR 24 3.439 14.812 -5.416 172 HA TYR 24 HA TYR 24 1.203 14.827 -7.187 173 1HB TYR 24 2HB TYR 24 3.121 12.757 -6.197 174 2HB TYR 24 3HB TYR 24 1.645 12.234 -7.000 175 HD1 TYR 24 HD1 TYR 24 1.710 11.933 -9.287 176 HD2 TYR 24 HD2 TYR 24 4.450 14.654 -7.502 177 HE1 TYR 24 HE1 TYR 24 2.770 12.293 -11.477 178 HE2 TYR 24 HE2 TYR 24 5.517 15.023 -9.687 179 HH TYR 24 HH TYR 24 4.132 13.882 -12.625 180 H GLY 25 H GLY 25 1.759 13.706 -3.890 181 1HA GLY 25 2HA GLY 25 -0.854 14.008 -3.025 182 2HA GLY 25 3HA GLY 25 -0.729 12.354 -3.608 183 HA PRO 26 HA PRO 26 0.922 12.939 0.835 184 1HB PRO 26 2HB PRO 26 -1.221 11.995 2.209 185 2HB PRO 26 3HB PRO 26 -1.006 13.706 1.821 186 1HG PRO 26 2HG PRO 26 -2.686 11.648 0.442 187 2HG PRO 26 3HG PRO 26 -3.084 13.327 0.849 188 1HD PRO 26 2HD PRO 26 -2.326 12.571 -1.638 189 2HD PRO 26 3HD PRO 26 -1.943 14.170 -0.968 190 H LEU 27 H LEU 27 2.318 11.281 0.905 191 HA LEU 27 HA LEU 27 1.463 8.577 0.307 192 1HB LEU 27 2HB LEU 27 3.828 8.004 0.594 193 2HB LEU 27 3HB LEU 27 3.590 9.319 -0.555 194 HG LEU 27 HG LEU 27 4.181 10.120 2.226 195 1HD1 LEU 27 1HD1 LEU 27 6.169 9.157 2.464 196 2HD1 LEU 27 2HD1 LEU 27 6.637 9.548 0.810 197 3HD1 LEU 27 3HD1 LEU 27 5.716 8.082 1.142 198 1HD2 LEU 27 1HD2 LEU 27 3.982 11.423 -0.121 199 2HD2 LEU 27 2HD2 LEU 27 5.716 11.099 -0.094 200 3HD2 LEU 27 3HD2 LEU 27 4.964 11.987 1.232 201 H ARG 28 H ARG 28 2.839 6.954 1.904 202 HA ARG 28 HA ARG 28 1.467 7.253 4.445 203 1HB ARG 28 2HB ARG 28 1.397 5.095 3.269 204 2HB ARG 28 3HB ARG 28 3.148 4.979 3.376 205 1HG ARG 28 2HG ARG 28 3.007 4.050 5.377 206 2HG ARG 28 3HG ARG 28 2.063 5.411 5.985 207 1HD ARG 28 2HD ARG 28 0.027 4.402 5.402 208 2HD ARG 28 3HD ARG 28 0.812 3.239 4.335 209 HE ARG 28 HE ARG 28 0.456 3.020 7.179 210 1HH1 ARG 28 1HH1 ARG 28 2.354 2.004 4.443 211 2HH1 ARG 28 2HH1 ARG 28 2.887 0.536 5.192 212 1HH2 ARG 28 1HH2 ARG 28 1.152 1.090 8.177 213 2HH2 ARG 28 2HH2 ARG 28 2.203 0.017 7.316 214 H THR 29 H THR 29 4.798 6.754 3.305 215 HA THR 29 HA THR 29 5.892 8.434 5.320 216 HB THR 29 HB THR 29 5.480 6.555 6.793 217 HG1 THR 29 HG1 THR 29 7.510 6.486 7.605 218 1HG2 THR 29 1HG2 THR 29 7.073 4.934 4.803 219 2HG2 THR 29 2HG2 THR 29 5.353 4.764 5.155 220 3HG2 THR 29 3HG2 THR 29 6.550 4.368 6.389 221 H VAL 30 H VAL 30 8.177 8.715 5.109 222 HA VAL 30 HA VAL 30 9.285 7.580 2.623 223 HB VAL 30 HB VAL 30 8.798 9.903 2.225 224 1HG1 VAL 30 1HG1 VAL 30 8.670 11.216 4.032 225 2HG1 VAL 30 2HG1 VAL 30 9.785 10.206 4.955 226 3HG1 VAL 30 3HG1 VAL 30 10.410 11.423 3.840 227 1HG2 VAL 30 1HG2 VAL 30 11.754 9.751 2.764 228 2HG2 VAL 30 2HG2 VAL 30 10.978 8.893 1.433 229 3HG2 VAL 30 3HG2 VAL 30 10.921 10.654 1.499 230 H TRP 31 H TRP 31 11.437 6.992 2.613 231 HA TRP 31 HA TRP 31 13.045 7.428 4.999 232 1HB TRP 31 2HB TRP 31 11.612 5.218 5.101 233 2HB TRP 31 3HB TRP 31 12.861 4.607 4.020 234 HD1 TRP 31 HD1 TRP 31 12.766 6.451 7.446 235 HE1 TRP 31 HE1 TRP 31 14.610 5.439 8.931 236 HE3 TRP 31 HE3 TRP 31 14.737 3.101 4.125 237 HZ2 TRP 31 HZ2 TRP 31 16.632 3.481 8.722 238 HZ3 TRP 31 HZ3 TRP 31 16.625 1.697 4.846 239 HH2 TRP 31 HH2 TRP 31 17.551 1.885 7.097 240 H ILE 32 H ILE 32 15.292 6.971 4.689 241 HA ILE 32 HA ILE 32 16.066 6.731 1.855 242 HB ILE 32 HB ILE 32 17.596 8.327 3.901 243 1HG1 ILE 32 2HG1 ILE 32 15.363 9.318 3.610 244 2HG1 ILE 32 3HG1 ILE 32 16.613 10.342 2.913 245 1HG2 ILE 32 1HG2 ILE 32 17.924 7.653 1.065 246 2HG2 ILE 32 2HG2 ILE 32 18.169 9.355 1.453 247 3HG2 ILE 32 3HG2 ILE 32 19.125 8.119 2.269 248 1HD1 ILE 32 1HD1 ILE 32 15.016 8.407 1.270 249 2HD1 ILE 32 2HD1 ILE 32 14.494 10.064 1.574 250 3HD1 ILE 32 3HD1 ILE 32 16.006 9.759 0.720 251 H ALA 33 H ALA 33 18.028 5.666 1.399 252 HA ALA 33 HA ALA 33 18.907 3.854 3.545 253 1HB ALA 33 1HB ALA 33 19.438 3.394 0.632 254 2HB ALA 33 2HB ALA 33 19.362 2.223 1.950 255 3HB ALA 33 3HB ALA 33 17.883 2.975 1.352 256 H ARG 34 H ARG 34 20.648 4.716 4.510 257 HA ARG 34 HA ARG 34 22.565 6.323 3.122 258 1HB ARG 34 2HB ARG 34 23.771 6.364 5.244 259 2HB ARG 34 3HB ARG 34 22.059 6.678 5.498 260 1HG ARG 34 2HG ARG 34 21.744 4.360 6.216 261 2HG ARG 34 3HG ARG 34 23.466 4.059 5.976 262 1HD ARG 34 2HD ARG 34 22.582 6.297 7.745 263 2HD ARG 34 3HD ARG 34 22.549 4.642 8.350 264 HE ARG 34 HE ARG 34 25.058 5.235 7.171 265 1HH1 ARG 34 1HH1 ARG 34 23.145 5.815 10.022 266 2HH1 ARG 34 2HH1 ARG 34 24.517 6.047 11.054 267 1HH2 ARG 34 1HH2 ARG 34 26.872 5.539 8.520 268 2HH2 ARG 34 2HH2 ARG 34 26.636 5.891 10.198 269 H ASN 35 H ASN 35 22.233 2.953 3.852 270 HA ASN 35 HA ASN 35 24.824 2.029 3.815 271 1HB ASN 35 2HB ASN 35 22.188 0.917 3.299 272 2HB ASN 35 3HB ASN 35 23.422 0.153 2.301 273 1HD2 ASN 35 1HD2 ASN 35 23.807 -1.734 3.233 274 2HD2 ASN 35 2HD2 ASN 35 24.208 -1.969 4.897 275 HA PRO 36 HA PRO 36 24.753 1.743 -1.000 276 1HB PRO 36 2HB PRO 36 22.653 2.872 -2.298 277 2HB PRO 36 3HB PRO 36 22.651 1.192 -1.749 278 1HG PRO 36 2HG PRO 36 21.422 3.604 -0.471 279 2HG PRO 36 3HG PRO 36 20.749 1.975 -0.665 280 1HD PRO 36 2HD PRO 36 21.834 2.836 1.662 281 2HD PRO 36 3HD PRO 36 21.918 1.142 1.138 282 HA PRO 37 HA PRO 37 26.369 5.741 -1.856 283 1HB PRO 37 2HB PRO 37 26.331 5.845 -4.568 284 2HB PRO 37 3HB PRO 37 27.455 4.826 -3.662 285 1HG PRO 37 2HG PRO 37 24.882 4.083 -4.999 286 2HG PRO 37 3HG PRO 37 26.428 3.216 -4.989 287 1HD PRO 37 2HD PRO 37 24.356 2.518 -3.392 288 2HD PRO 37 3HD PRO 37 26.051 2.310 -2.903 289 H GLY 38 H GLY 38 23.271 4.942 -3.295 290 1HA GLY 38 2HA GLY 38 22.152 7.463 -2.637 291 2HA GLY 38 3HA GLY 38 22.531 7.405 -4.352 292 H PHE 39 H PHE 39 20.774 5.687 -1.796 293 HA PHE 39 HA PHE 39 18.647 5.133 -3.723 294 1HB PHE 39 2HB PHE 39 20.444 3.145 -2.677 295 2HB PHE 39 3HB PHE 39 18.811 2.828 -2.101 296 HD1 PHE 39 HD1 PHE 39 20.621 3.686 -5.245 297 HD2 PHE 39 HD2 PHE 39 17.404 1.579 -3.421 298 HE1 PHE 39 HE1 PHE 39 20.059 2.672 -7.415 299 HE2 PHE 39 HE2 PHE 39 16.838 0.560 -5.588 300 HZ PHE 39 HZ PHE 39 18.166 1.106 -7.588 301 H ALA 40 H ALA 40 16.627 5.247 -2.877 302 HA ALA 40 HA ALA 40 16.333 5.354 0.040 303 1HB ALA 40 1HB ALA 40 16.203 7.590 -0.119 304 2HB ALA 40 2HB ALA 40 15.887 7.551 -1.854 305 3HB ALA 40 3HB ALA 40 14.572 7.276 -0.712 306 H PHE 41 H PHE 41 14.154 5.003 0.786 307 HA PHE 41 HA PHE 41 12.446 3.652 -1.198 308 1HB PHE 41 2HB PHE 41 12.621 2.834 1.698 309 2HB PHE 41 3HB PHE 41 11.909 1.943 0.357 310 HD1 PHE 41 HD1 PHE 41 14.264 1.423 2.523 311 HD2 PHE 41 HD2 PHE 41 14.039 2.148 -1.665 312 HE1 PHE 41 HE1 PHE 41 16.386 0.219 2.204 313 HE2 PHE 41 HE2 PHE 41 16.160 0.945 -1.991 314 HZ PHE 41 HZ PHE 41 17.336 -0.023 -0.055 315 H VAL 42 H VAL 42 10.228 3.906 -1.001 316 HA VAL 42 HA VAL 42 9.264 5.720 1.097 317 HB VAL 42 HB VAL 42 8.684 6.039 -1.851 318 1HG1 VAL 42 1HG1 VAL 42 7.611 8.221 -0.719 319 2HG1 VAL 42 2HG1 VAL 42 6.695 6.746 -1.034 320 3HG1 VAL 42 3HG1 VAL 42 7.344 7.056 0.577 321 1HG2 VAL 42 1HG2 VAL 42 9.906 8.104 -0.059 322 2HG2 VAL 42 2HG2 VAL 42 10.906 6.873 -0.831 323 3HG2 VAL 42 3HG2 VAL 42 9.957 7.984 -1.818 324 H GLU 43 H GLU 43 7.111 5.453 1.687 325 HA GLU 43 HA GLU 43 5.801 3.063 0.565 326 1HB GLU 43 2HB GLU 43 6.569 3.589 3.214 327 2HB GLU 43 3HB GLU 43 4.823 3.790 3.184 328 1HG GLU 43 2HG GLU 43 4.629 1.596 3.351 329 2HG GLU 43 3HG GLU 43 5.324 1.457 1.737 330 H PHE 44 H PHE 44 3.938 3.398 -0.438 331 HA PHE 44 HA PHE 44 2.539 5.942 0.010 332 1HB PHE 44 2HB PHE 44 3.149 4.385 -2.347 333 2HB PHE 44 3HB PHE 44 1.414 4.653 -2.217 334 HD1 PHE 44 HD1 PHE 44 4.099 5.843 -3.830 335 HD2 PHE 44 HD2 PHE 44 1.061 7.262 -1.209 336 HE1 PHE 44 HE1 PHE 44 4.390 8.115 -4.729 337 HE2 PHE 44 HE2 PHE 44 1.346 9.536 -2.104 338 HZ PHE 44 HZ PHE 44 3.011 9.965 -3.867 339 H GLU 45 H GLU 45 0.756 5.900 1.193 340 HA GLU 45 HA GLU 45 -0.406 3.660 2.309 341 1HB GLU 45 2HB GLU 45 -2.303 5.078 2.879 342 2HB GLU 45 3HB GLU 45 -0.795 5.950 3.113 343 1HG GLU 45 2HG GLU 45 -1.158 6.986 0.859 344 2HG GLU 45 3HG GLU 45 -2.764 6.260 0.864 345 H ASP 46 H ASP 46 -1.035 5.164 -0.787 346 HA ASP 46 HA ASP 46 -2.871 2.951 -1.420 347 1HB ASP 46 2HB ASP 46 -3.223 5.881 -1.822 348 2HB ASP 46 3HB ASP 46 -3.826 4.807 -3.081 349 HA PRO 47 HA PRO 47 -0.274 2.131 -4.866 350 1HB PRO 47 2HB PRO 47 -2.069 1.026 -6.577 351 2HB PRO 47 3HB PRO 47 -1.474 0.190 -5.137 352 1HG PRO 47 2HG PRO 47 -4.040 1.679 -5.539 353 2HG PRO 47 3HG PRO 47 -3.762 0.128 -4.726 354 1HD PRO 47 2HD PRO 47 -4.076 2.448 -3.367 355 2HD PRO 47 3HD PRO 47 -3.037 1.132 -2.783 356 H ARG 48 H ARG 48 -3.394 3.644 -5.676 357 HA ARG 48 HA ARG 48 -2.854 4.560 -8.210 358 1HB ARG 48 2HB ARG 48 -5.042 4.769 -7.093 359 2HB ARG 48 3HB ARG 48 -4.385 6.028 -6.056 360 1HG ARG 48 2HG ARG 48 -3.815 7.162 -8.363 361 2HG ARG 48 3HG ARG 48 -5.130 6.129 -8.929 362 1HD ARG 48 2HD ARG 48 -5.271 8.134 -6.679 363 2HD ARG 48 3HD ARG 48 -5.967 8.323 -8.288 364 HE ARG 48 HE ARG 48 -6.944 5.972 -7.045 365 1HH1 ARG 48 1HH1 ARG 48 -7.245 9.440 -6.993 366 2HH1 ARG 48 2HH1 ARG 48 -8.874 9.421 -6.404 367 1HH2 ARG 48 1HH2 ARG 48 -9.089 5.933 -6.270 368 2HH2 ARG 48 2HH2 ARG 48 -9.922 7.425 -5.993 369 H ASP 49 H ASP 49 -2.145 6.208 -5.140 370 HA ASP 49 HA ASP 49 -0.993 8.514 -6.238 371 1HB ASP 49 2HB ASP 49 -0.210 7.240 -3.613 372 2HB ASP 49 3HB ASP 49 -0.102 8.943 -4.051 373 H ALA 50 H ALA 50 0.361 5.355 -5.510 374 HA ALA 50 HA ALA 50 3.082 6.100 -5.923 375 1HB ALA 50 1HB ALA 50 1.690 3.434 -5.838 376 2HB ALA 50 2HB ALA 50 3.430 3.606 -6.079 377 3HB ALA 50 3HB ALA 50 2.684 4.185 -4.589 378 H GLU 51 H GLU 51 0.587 4.626 -7.957 379 HA GLU 51 HA GLU 51 2.203 4.075 -10.185 380 1HB GLU 51 2HB GLU 51 -0.575 3.966 -9.530 381 2HB GLU 51 3HB GLU 51 -0.403 4.771 -11.084 382 1HG GLU 51 2HG GLU 51 0.025 2.860 -12.114 383 2HG GLU 51 3HG GLU 51 1.277 2.437 -10.947 384 H ASP 52 H ASP 52 0.222 6.916 -9.403 385 HA ASP 52 HA ASP 52 0.861 8.338 -11.774 386 1HB ASP 52 2HB ASP 52 -0.265 9.185 -9.108 387 2HB ASP 52 3HB ASP 52 0.028 10.335 -10.410 388 H ALA 53 H ALA 53 2.174 8.384 -8.486 389 HA ALA 53 HA ALA 53 3.980 10.510 -8.860 390 1HB ALA 53 1HB ALA 53 5.212 9.286 -6.918 391 2HB ALA 53 2HB ALA 53 3.626 10.007 -6.639 392 3HB ALA 53 3HB ALA 53 3.771 8.269 -6.898 393 H VAL 54 H VAL 54 4.617 6.996 -8.832 394 HA VAL 54 HA VAL 54 7.284 7.100 -9.600 395 HB VAL 54 HB VAL 54 5.244 4.959 -10.219 396 1HG1 VAL 54 1HG1 VAL 54 6.848 4.142 -11.552 397 2HG1 VAL 54 2HG1 VAL 54 8.081 5.213 -10.883 398 3HG1 VAL 54 3HG1 VAL 54 7.670 3.713 -10.052 399 1HG2 VAL 54 1HG2 VAL 54 7.134 4.248 -8.206 400 2HG2 VAL 54 2HG2 VAL 54 6.411 5.800 -7.784 401 3HG2 VAL 54 3HG2 VAL 54 5.382 4.397 -8.074 402 H ARG 55 H ARG 55 4.432 6.599 -11.681 403 HA ARG 55 HA ARG 55 5.770 6.522 -14.122 404 1HB ARG 55 2HB ARG 55 2.978 7.392 -13.394 405 2HB ARG 55 3HB ARG 55 3.540 7.344 -15.059 406 1HG ARG 55 2HG ARG 55 3.959 4.964 -14.880 407 2HG ARG 55 3HG ARG 55 3.483 4.991 -13.181 408 1HD ARG 55 2HD ARG 55 1.488 4.359 -14.039 409 2HD ARG 55 3HD ARG 55 1.299 6.097 -14.268 410 HE ARG 55 HE ARG 55 1.374 5.764 -16.527 411 1HH1 ARG 55 1HH1 ARG 55 2.653 2.948 -14.928 412 2HH1 ARG 55 2HH1 ARG 55 2.776 2.017 -16.384 413 1HH2 ARG 55 1HH2 ARG 55 1.532 4.548 -18.450 414 2HH2 ARG 55 2HH2 ARG 55 2.140 2.928 -18.387 415 H GLY 56 H GLY 56 4.591 9.273 -12.250 416 1HA GLY 56 2HA GLY 56 5.126 11.228 -14.253 417 2HA GLY 56 3HA GLY 56 4.844 11.542 -12.547 418 H LEU 57 H LEU 57 6.779 10.730 -11.131 419 HA LEU 57 HA LEU 57 8.956 12.361 -11.633 420 1HB LEU 57 2HB LEU 57 8.958 9.815 -10.019 421 2HB LEU 57 3HB LEU 57 10.113 11.139 -9.882 422 HG LEU 57 HG LEU 57 7.191 11.204 -9.134 423 1HD1 LEU 57 1HD1 LEU 57 7.817 10.990 -6.974 424 2HD1 LEU 57 2HD1 LEU 57 9.349 11.828 -7.217 425 3HD1 LEU 57 3HD1 LEU 57 9.183 10.139 -7.697 426 1HD2 LEU 57 1HD2 LEU 57 7.589 13.478 -8.388 427 2HD2 LEU 57 2HD2 LEU 57 7.924 13.334 -10.113 428 3HD2 LEU 57 3HD2 LEU 57 9.256 13.395 -8.958 429 H ASP 58 H ASP 58 8.788 8.823 -12.048 430 HA ASP 58 HA ASP 58 11.337 8.574 -13.233 431 1HB ASP 58 2HB ASP 58 10.063 6.695 -12.210 432 2HB ASP 58 3HB ASP 58 8.952 6.745 -13.576 433 H GLY 59 H GLY 59 8.125 9.123 -14.572 434 1HA GLY 59 2HA GLY 59 8.904 8.772 -17.298 435 2HA GLY 59 3HA GLY 59 7.416 9.515 -16.729 436 H LYS 60 H LYS 60 9.315 11.322 -15.065 437 HA LYS 60 HA LYS 60 10.672 12.927 -16.997 438 1HB LYS 60 2HB LYS 60 8.300 13.508 -17.484 439 2HB LYS 60 3HB LYS 60 8.127 14.064 -15.824 440 1HG LYS 60 2HG LYS 60 8.506 16.025 -16.970 441 2HG LYS 60 3HG LYS 60 10.121 15.612 -16.390 442 1HD LYS 60 2HD LYS 60 10.361 14.401 -18.669 443 2HD LYS 60 3HD LYS 60 8.991 15.402 -19.157 444 1HE LYS 60 2HE LYS 60 10.630 17.226 -17.956 445 2HE LYS 60 3HE LYS 60 11.792 16.127 -18.697 446 1HZ LYS 60 1HZ LYS 60 10.190 18.100 -19.927 447 2HZ LYS 60 2HZ LYS 60 9.820 16.587 -20.587 448 3HZ LYS 60 3HZ LYS 60 11.415 17.151 -20.608 449 H VAL 61 H VAL 61 12.301 13.871 -15.963 450 HA VAL 61 HA VAL 61 12.863 13.645 -13.296 451 HB VAL 61 HB VAL 61 14.550 15.317 -13.551 452 1HG1 VAL 61 1HG1 VAL 61 14.644 13.142 -14.914 453 2HG1 VAL 61 2HG1 VAL 61 14.319 14.170 -16.312 454 3HG1 VAL 61 3HG1 VAL 61 15.764 14.437 -15.337 455 1HG2 VAL 61 1HG2 VAL 61 14.496 16.625 -15.825 456 2HG2 VAL 61 2HG2 VAL 61 12.760 16.334 -15.709 457 3HG2 VAL 61 3HG2 VAL 61 13.594 17.214 -14.428 458 H ILE 62 H ILE 62 13.040 15.345 -11.620 459 HA ILE 62 HA ILE 62 10.730 17.175 -11.703 460 HB ILE 62 HB ILE 62 10.233 15.412 -10.144 461 1HG1 ILE 62 2HG1 ILE 62 9.962 16.709 -8.072 462 2HG1 ILE 62 3HG1 ILE 62 11.129 17.891 -8.655 463 1HG2 ILE 62 1HG2 ILE 62 12.664 14.789 -9.821 464 2HG2 ILE 62 2HG2 ILE 62 12.738 16.077 -8.621 465 3HG2 ILE 62 3HG2 ILE 62 11.645 14.714 -8.384 466 1HD1 ILE 62 1HD1 ILE 62 8.586 17.274 -10.122 467 2HD1 ILE 62 2HD1 ILE 62 8.695 18.507 -8.865 468 3HD1 ILE 62 3HD1 ILE 62 9.665 18.653 -10.330 469 H CYS 63 H CYS 63 11.380 19.214 -11.782 470 HA CYS 63 HA CYS 63 12.646 21.095 -11.550 471 1HB CYS 63 2HB CYS 63 11.820 20.394 -9.121 472 2HB CYS 63 3HB CYS 63 13.549 20.201 -8.852 473 HG CYS 63 HG CYS 63 13.188 23.064 -10.322 474 H GLY 64 H GLY 64 13.988 19.057 -12.891 475 1HA GLY 64 2HA GLY 64 16.123 18.771 -13.729 476 2HA GLY 64 3HA GLY 64 16.704 19.917 -12.531 477 H SER 65 H SER 65 14.863 17.059 -11.701 478 HA SER 65 HA SER 65 17.318 15.833 -10.630 479 1HB SER 65 2HB SER 65 14.613 15.884 -9.269 480 2HB SER 65 3HB SER 65 16.073 15.115 -8.649 481 HG SER 65 HG SER 65 16.743 16.985 -7.969 482 H ARG 66 H ARG 66 17.557 14.286 -12.185 483 HA ARG 66 HA ARG 66 15.342 12.702 -13.108 484 1HB ARG 66 2HB ARG 66 17.101 11.434 -14.337 485 2HB ARG 66 3HB ARG 66 17.125 13.163 -14.656 486 1HG ARG 66 2HG ARG 66 18.851 12.522 -12.447 487 2HG ARG 66 3HG ARG 66 19.257 11.552 -13.864 488 1HD ARG 66 2HD ARG 66 19.029 13.856 -15.105 489 2HD ARG 66 3HD ARG 66 19.329 14.509 -13.496 490 HE ARG 66 HE ARG 66 21.278 12.597 -13.954 491 1HH1 ARG 66 1HH1 ARG 66 20.263 15.621 -15.347 492 2HH1 ARG 66 2HH1 ARG 66 21.848 16.048 -15.901 493 1HH2 ARG 66 1HH2 ARG 66 23.369 13.146 -14.679 494 2HH2 ARG 66 2HH2 ARG 66 23.614 14.639 -15.522 495 H VAL 67 H VAL 67 14.940 12.220 -10.673 496 HA VAL 67 HA VAL 67 16.565 10.279 -9.387 497 HB VAL 67 HB VAL 67 13.633 10.683 -8.840 498 1HG1 VAL 67 1HG1 VAL 67 15.998 9.804 -7.200 499 2HG1 VAL 67 2HG1 VAL 67 14.452 10.266 -6.485 500 3HG1 VAL 67 3HG1 VAL 67 14.540 8.891 -7.587 501 1HG2 VAL 67 1HG2 VAL 67 15.934 12.501 -8.283 502 2HG2 VAL 67 2HG2 VAL 67 14.288 12.892 -8.783 503 3HG2 VAL 67 3HG2 VAL 67 14.610 12.394 -7.122 504 H ARG 68 H ARG 68 15.927 8.072 -8.872 505 HA ARG 68 HA ARG 68 14.576 6.796 -11.151 506 1HB ARG 68 2HB ARG 68 16.931 6.161 -10.837 507 2HB ARG 68 3HB ARG 68 16.569 5.630 -9.199 508 1HG ARG 68 2HG ARG 68 15.891 3.641 -9.908 509 2HG ARG 68 3HG ARG 68 14.826 4.361 -11.117 510 1HD ARG 68 2HD ARG 68 17.679 4.528 -11.763 511 2HD ARG 68 3HD ARG 68 17.053 2.883 -11.664 512 HE ARG 68 HE ARG 68 15.288 4.411 -13.205 513 1HH1 ARG 68 1HH1 ARG 68 18.530 3.152 -13.346 514 2HH1 ARG 68 2HH1 ARG 68 18.550 3.037 -15.075 515 1HH2 ARG 68 1HH2 ARG 68 15.302 4.265 -15.481 516 2HH2 ARG 68 2HH2 ARG 68 16.713 3.671 -16.288 517 H VAL 69 H VAL 69 12.500 6.455 -10.651 518 HA VAL 69 HA VAL 69 11.850 5.420 -7.974 519 HB VAL 69 HB VAL 69 9.916 6.599 -9.967 520 1HG1 VAL 69 1HG1 VAL 69 8.456 6.816 -8.010 521 2HG1 VAL 69 2HG1 VAL 69 8.910 5.135 -8.300 522 3HG1 VAL 69 3HG1 VAL 69 9.690 6.051 -7.009 523 1HG2 VAL 69 1HG2 VAL 69 11.846 7.910 -8.251 524 2HG2 VAL 69 2HG2 VAL 69 10.812 8.588 -9.508 525 3HG2 VAL 69 3HG2 VAL 69 10.193 8.392 -7.869 526 H GLU 70 H GLU 70 10.720 3.534 -7.727 527 HA GLU 70 HA GLU 70 9.777 2.114 -10.093 528 1HB GLU 70 2HB GLU 70 12.259 1.547 -9.423 529 2HB GLU 70 3HB GLU 70 11.484 0.580 -8.176 530 1HG GLU 70 2HG GLU 70 10.331 -0.726 -9.819 531 2HG GLU 70 3HG GLU 70 10.902 0.323 -11.115 532 H LEU 71 H LEU 71 8.581 0.101 -9.484 533 HA LEU 71 HA LEU 71 7.218 0.487 -6.901 534 1HB LEU 71 2HB LEU 71 6.235 0.096 -9.606 535 2HB LEU 71 3HB LEU 71 5.553 -1.069 -8.473 536 HG LEU 71 HG LEU 71 5.484 1.730 -7.570 537 1HD1 LEU 71 1HD1 LEU 71 3.664 2.390 -8.994 538 2HD1 LEU 71 2HD1 LEU 71 3.708 0.842 -9.836 539 3HD1 LEU 71 3HD1 LEU 71 5.053 1.971 -9.996 540 1HD2 LEU 71 1HD2 LEU 71 3.163 -0.134 -7.790 541 2HD2 LEU 71 2HD2 LEU 71 3.523 1.074 -6.556 542 3HD2 LEU 71 3HD2 LEU 71 4.421 -0.444 -6.593 543 H SER 72 H SER 72 7.476 -1.071 -5.455 544 HA SER 72 HA SER 72 8.864 -3.486 -6.097 545 1HB SER 72 2HB SER 72 8.856 -2.126 -3.870 546 2HB SER 72 3HB SER 72 7.406 -3.060 -3.505 547 HG SER 72 HG SER 72 9.057 -4.257 -2.721 548 H THR 73 H THR 73 5.521 -2.644 -5.356 549 HA THR 73 HA THR 73 4.646 -5.153 -6.544 550 HB THR 73 HB THR 73 3.656 -4.365 -3.800 551 HG1 THR 73 HG1 THR 73 5.506 -6.400 -4.559 552 1HG2 THR 73 1HG2 THR 73 3.241 -7.099 -4.449 553 2HG2 THR 73 2HG2 THR 73 2.666 -6.127 -5.804 554 3HG2 THR 73 3HG2 THR 73 2.035 -5.842 -4.182 555 H GLY 74 H GLY 74 2.646 -5.034 -7.498 556 1HA GLY 74 2HA GLY 74 0.496 -4.102 -7.861 557 2HA GLY 74 3HA GLY 74 1.012 -2.649 -7.018 558 H MET 75 H MET 75 3.091 -4.038 -9.414 559 HA MET 75 HA MET 75 2.223 -2.019 -11.367 560 1HB MET 75 2HB MET 75 4.169 -1.079 -10.344 561 2HB MET 75 3HB MET 75 5.039 -2.603 -10.456 562 1HG MET 75 2HG MET 75 5.804 -2.093 -12.466 563 2HG MET 75 3HG MET 75 4.177 -1.763 -13.058 564 1HE MET 75 1HE MET 75 7.148 -0.025 -13.798 565 2HE MET 75 2HE MET 75 5.624 -0.279 -14.647 566 3HE MET 75 3HE MET 75 6.150 1.357 -14.250 567 HA PRO 76 HA PRO 76 2.334 -6.115 -13.429 568 1HB PRO 76 2HB PRO 76 0.260 -5.564 -15.092 569 2HB PRO 76 3HB PRO 76 0.037 -6.154 -13.441 570 1HG PRO 76 2HG PRO 76 -0.136 -3.356 -14.492 571 2HG PRO 76 3HG PRO 76 -1.197 -4.185 -13.338 572 1HD PRO 76 2HD PRO 76 0.727 -2.446 -12.558 573 2HD PRO 76 3HD PRO 76 0.245 -3.842 -11.573 574 H ARG 77 H ARG 77 3.901 -6.310 -14.894 575 HA ARG 77 HA ARG 77 3.976 -4.394 -17.132 576 1HB ARG 77 2HB ARG 77 6.024 -5.075 -15.221 577 2HB ARG 77 3HB ARG 77 6.544 -5.510 -16.844 578 1HG ARG 77 2HG ARG 77 5.367 -2.815 -16.352 579 2HG ARG 77 3HG ARG 77 7.040 -3.140 -15.895 580 1HD ARG 77 2HD ARG 77 7.519 -3.855 -18.190 581 2HD ARG 77 3HD ARG 77 5.849 -3.514 -18.640 582 HE ARG 77 HE ARG 77 6.379 -1.294 -18.767 583 1HH1 ARG 77 1HH1 ARG 77 8.860 -2.950 -16.971 584 2HH1 ARG 77 2HH1 ARG 77 9.905 -1.571 -16.892 585 1HH2 ARG 77 1HH2 ARG 77 7.747 0.528 -18.670 586 2HH2 ARG 77 2HH2 ARG 77 9.271 0.407 -17.858 587 H ARG 78 H ARG 78 5.114 -5.284 -19.080 588 HA ARG 78 HA ARG 78 4.111 -7.973 -19.590 589 1HB ARG 78 2HB ARG 78 4.448 -7.475 -21.933 590 2HB ARG 78 3HB ARG 78 3.601 -6.134 -21.172 591 1HG ARG 78 2HG ARG 78 5.111 -4.903 -22.287 592 2HG ARG 78 3HG ARG 78 6.140 -5.290 -20.906 593 1HD ARG 78 2HD ARG 78 7.401 -5.729 -22.877 594 2HD ARG 78 3HD ARG 78 6.948 -7.286 -22.184 595 HE ARG 78 HE ARG 78 4.984 -6.685 -24.015 596 1HH1 ARG 78 1HH1 ARG 78 8.435 -7.139 -24.070 597 2HH1 ARG 78 2HH1 ARG 78 8.462 -7.733 -25.698 598 1HH2 ARG 78 1HH2 ARG 78 5.006 -7.465 -26.158 599 2HH2 ARG 78 2HH2 ARG 78 6.511 -7.917 -26.884 600 H SER 79 H SER 79 6.981 -6.534 -18.654 601 HA SER 79 HA SER 79 8.870 -8.056 -20.119 602 1HB SER 79 2HB SER 79 9.576 -7.189 -17.370 603 2HB SER 79 3HB SER 79 10.452 -6.966 -18.884 604 HG SER 79 HG SER 79 9.718 -4.975 -18.372 605 H ARG 80 H ARG 80 10.545 -9.264 -18.389 606 HA ARG 80 HA ARG 80 9.110 -11.686 -17.761 607 1HB ARG 80 2HB ARG 80 12.011 -10.888 -17.673 608 2HB ARG 80 3HB ARG 80 11.460 -12.424 -17.016 609 1HG ARG 80 2HG ARG 80 10.694 -13.150 -19.152 610 2HG ARG 80 3HG ARG 80 10.962 -11.551 -19.850 611 1HD ARG 80 2HD ARG 80 13.340 -12.673 -18.591 612 2HD ARG 80 3HD ARG 80 12.726 -13.660 -19.917 613 HE ARG 80 HE ARG 80 14.052 -11.154 -20.131 614 1HH1 ARG 80 1HH1 ARG 80 11.565 -13.114 -21.578 615 2HH1 ARG 80 2HH1 ARG 80 11.738 -12.405 -23.149 616 1HH2 ARG 80 1HH2 ARG 80 14.289 -10.213 -22.195 617 2HH2 ARG 80 2HH2 ARG 80 13.289 -10.755 -23.499 618 H PHE 81 H PHE 81 8.043 -9.838 -16.158 619 HA PHE 81 HA PHE 81 9.311 -9.469 -13.663 620 1HB PHE 81 2HB PHE 81 6.676 -8.957 -14.825 621 2HB PHE 81 3HB PHE 81 6.607 -9.359 -13.113 622 HD1 PHE 81 HD1 PHE 81 7.297 -7.822 -11.466 623 HD2 PHE 81 HD2 PHE 81 8.062 -7.029 -15.577 624 HE1 PHE 81 HE1 PHE 81 7.945 -5.517 -10.897 625 HE2 PHE 81 HE2 PHE 81 8.712 -4.724 -15.015 626 HZ PHE 81 HZ PHE 81 8.655 -3.965 -12.673 627 H ASP 82 H ASP 82 9.687 -10.875 -12.093 628 HA ASP 82 HA ASP 82 8.416 -13.492 -12.172 629 1HB ASP 82 2HB ASP 82 10.758 -12.340 -10.679 630 2HB ASP 82 3HB ASP 82 10.050 -13.880 -10.199 631 H ARG 83 H ARG 83 8.753 -10.750 -9.951 632 HA ARG 83 HA ARG 83 7.171 -11.911 -7.888 633 1HB ARG 83 2HB ARG 83 8.750 -9.592 -8.215 634 2HB ARG 83 3HB ARG 83 7.134 -9.039 -7.796 635 1HG ARG 83 2HG ARG 83 7.275 -10.791 -5.905 636 2HG ARG 83 3HG ARG 83 9.011 -10.744 -6.217 637 1HD ARG 83 2HD ARG 83 7.845 -8.091 -6.044 638 2HD ARG 83 3HD ARG 83 7.583 -9.032 -4.577 639 HE ARG 83 HE ARG 83 10.070 -7.969 -5.526 640 1HH1 ARG 83 1HH1 ARG 83 8.592 -10.478 -3.619 641 2HH1 ARG 83 2HH1 ARG 83 9.995 -10.739 -2.638 642 1HH2 ARG 83 1HH2 ARG 83 11.924 -8.303 -4.241 643 2HH2 ARG 83 2HH2 ARG 83 11.890 -9.501 -2.992 644 HA PRO 84 HA PRO 84 3.208 -11.241 -9.775 645 1HB PRO 84 2HB PRO 84 1.720 -11.969 -7.624 646 2HB PRO 84 3HB PRO 84 2.540 -13.139 -8.665 647 1HG PRO 84 2HG PRO 84 3.389 -12.043 -6.011 648 2HG PRO 84 3HG PRO 84 3.460 -13.712 -6.608 649 1HD PRO 84 2HD PRO 84 5.623 -12.083 -6.573 650 2HD PRO 84 3HD PRO 84 5.388 -13.332 -7.813 651 HA PRO 85 HA PRO 85 2.728 -7.062 -8.131 652 1HB PRO 85 2HB PRO 85 1.248 -6.170 -10.224 653 2HB PRO 85 3HB PRO 85 3.009 -6.304 -10.282 654 1HG PRO 85 2HG PRO 85 0.930 -8.174 -11.351 655 2HG PRO 85 3HG PRO 85 2.441 -7.632 -12.105 656 1HD PRO 85 2HD PRO 85 2.200 -10.042 -10.895 657 2HD PRO 85 3HD PRO 85 3.722 -9.128 -10.908 658 H ALA 86 H ALA 86 0.984 -5.894 -7.268 659 HA ALA 86 HA ALA 86 -1.431 -7.499 -6.846 660 1HB ALA 86 1HB ALA 86 -1.862 -5.834 -5.005 661 2HB ALA 86 2HB ALA 86 -0.426 -6.839 -4.803 662 3HB ALA 86 3HB ALA 86 -0.265 -5.167 -5.342 663 H ARG 87 H ARG 87 -2.483 -7.062 -8.814 664 HA ARG 87 HA ARG 87 -3.171 -4.278 -9.384 665 1HB ARG 87 2HB ARG 87 -3.987 -6.657 -11.034 666 2HB ARG 87 3HB ARG 87 -3.811 -4.982 -11.539 667 1HG ARG 87 2HG ARG 87 -1.907 -5.820 -12.432 668 2HG ARG 87 3HG ARG 87 -1.296 -5.431 -10.823 669 1HD ARG 87 2HD ARG 87 -0.769 -7.562 -10.501 670 2HD ARG 87 3HD ARG 87 -2.458 -8.018 -10.722 671 HE ARG 87 HE ARG 87 -1.230 -7.624 -13.232 672 1HH1 ARG 87 1HH1 ARG 87 -1.296 -9.848 -10.554 673 2HH1 ARG 87 2HH1 ARG 87 -0.872 -11.224 -11.518 674 1HH2 ARG 87 1HH2 ARG 87 -0.672 -9.428 -14.511 675 2HH2 ARG 87 2HH2 ARG 87 -0.516 -10.984 -13.768 676 H ARG 88 H ARG 88 -4.847 -7.415 -9.098 677 HA ARG 88 HA ARG 88 -7.059 -6.078 -7.751 678 1HB ARG 88 2HB ARG 88 -7.609 -7.895 -10.092 679 2HB ARG 88 3HB ARG 88 -8.749 -6.881 -9.217 680 1HG ARG 88 2HG ARG 88 -7.735 -4.887 -10.122 681 2HG ARG 88 3HG ARG 88 -6.490 -5.852 -10.919 682 1HD ARG 88 2HD ARG 88 -8.029 -6.784 -12.430 683 2HD ARG 88 3HD ARG 88 -9.412 -6.268 -11.466 684 HE ARG 88 HE ARG 88 -8.253 -3.931 -12.154 685 1HH1 ARG 88 1HH1 ARG 88 -9.240 -6.721 -13.986 686 2HH1 ARG 88 2HH1 ARG 88 -9.587 -5.817 -15.423 687 1HH2 ARG 88 1HH2 ARG 88 -8.706 -2.729 -14.039 688 2HH2 ARG 88 2HH2 ARG 88 -9.282 -3.547 -15.452 689 H LYS 89 H LYS 89 -8.854 -8.111 -7.611 690 HA LYS 89 HA LYS 89 -7.410 -10.050 -5.970 691 1HB LYS 89 2HB LYS 89 -9.296 -8.899 -4.934 692 2HB LYS 89 3HB LYS 89 -10.366 -9.461 -6.211 693 1HG LYS 89 2HG LYS 89 -9.732 -11.818 -5.463 694 2HG LYS 89 3HG LYS 89 -9.078 -11.045 -4.017 695 1HD LYS 89 2HD LYS 89 -11.919 -10.810 -5.011 696 2HD LYS 89 3HD LYS 89 -11.377 -11.817 -3.666 697 1HE LYS 89 2HE LYS 89 -10.465 -9.647 -2.658 698 2HE LYS 89 3HE LYS 89 -11.459 -8.821 -3.856 699 1HZ LYS 89 1HZ LYS 89 -12.381 -9.372 -1.487 700 2HZ LYS 89 2HZ LYS 89 -12.713 -10.876 -2.186 701 3HZ LYS 89 3HZ LYS 89 -13.381 -9.470 -2.848 702 H LEU 90 H LEU 90 -10.370 -10.404 -7.908 703 HA LEU 90 HA LEU 90 -11.063 -12.020 -9.349 704 1HB LEU 90 2HB LEU 90 -8.293 -11.490 -10.001 705 2HB LEU 90 3HB LEU 90 -8.743 -13.150 -10.384 706 HG LEU 90 HG LEU 90 -10.796 -11.913 -11.540 707 1HD1 LEU 90 1HD1 LEU 90 -8.642 -9.856 -11.306 708 2HD1 LEU 90 2HD1 LEU 90 -10.387 -9.678 -11.133 709 3HD1 LEU 90 3HD1 LEU 90 -9.678 -9.897 -12.732 710 1HD2 LEU 90 1HD2 LEU 90 -9.365 -13.435 -12.701 711 2HD2 LEU 90 2HD2 LEU 90 -8.027 -12.286 -12.670 712 3HD2 LEU 90 3HD2 LEU 90 -9.457 -11.949 -13.647 713 H LEU 91 H LEU 91 -11.935 -13.542 -8.023 714 HA LEU 91 HA LEU 91 -10.572 -16.037 -7.791 715 1HB LEU 91 2HB LEU 91 -9.691 -14.593 -5.870 716 2HB LEU 91 3HB LEU 91 -11.302 -14.759 -5.175 717 HG LEU 91 HG LEU 91 -10.149 -17.326 -5.897 718 1HD1 LEU 91 1HD1 LEU 91 -8.377 -17.415 -4.322 719 2HD1 LEU 91 2HD1 LEU 91 -8.736 -15.795 -3.725 720 3HD1 LEU 91 3HD1 LEU 91 -8.080 -16.011 -5.348 721 1HD2 LEU 91 1HD2 LEU 91 -10.910 -17.929 -3.717 722 2HD2 LEU 91 2HD2 LEU 91 -12.132 -16.883 -4.441 723 3HD2 LEU 91 3HD2 LEU 91 -11.025 -16.239 -3.228 724 H GLU 92 H GLU 92 -13.261 -14.006 -6.738 725 HA GLU 92 HA GLU 92 -15.005 -16.198 -6.166 726 1HB GLU 92 2HB GLU 92 -15.058 -13.645 -5.417 727 2HB GLU 92 3HB GLU 92 -16.092 -13.505 -6.831 728 1HG GLU 92 2HG GLU 92 -17.475 -15.372 -5.866 729 2HG GLU 92 3HG GLU 92 -16.532 -15.194 -4.388 730 H VAL 93 H VAL 93 -14.411 -14.135 -8.949 731 HA VAL 93 HA VAL 93 -16.490 -15.550 -10.463 732 HB VAL 93 HB VAL 93 -14.911 -13.137 -11.352 733 1HG1 VAL 93 1HG1 VAL 93 -17.088 -14.767 -12.492 734 2HG1 VAL 93 2HG1 VAL 93 -17.261 -13.019 -12.656 735 3HG1 VAL 93 3HG1 VAL 93 -15.830 -13.828 -13.295 736 1HG2 VAL 93 1HG2 VAL 93 -17.446 -12.248 -10.811 737 2HG2 VAL 93 2HG2 VAL 93 -17.140 -13.361 -9.477 738 3HG2 VAL 93 3HG2 VAL 93 -16.038 -12.016 -9.774 739 H LEU 94 H LEU 94 -16.031 -16.480 -12.496 740 HA LEU 94 HA LEU 94 -13.337 -16.655 -13.470 741 1HB LEU 94 2HB LEU 94 -13.257 -18.269 -11.636 742 2HB LEU 94 3HB LEU 94 -14.646 -19.114 -12.316 743 HG LEU 94 HG LEU 94 -12.206 -18.825 -13.997 744 1HD1 LEU 94 1HD1 LEU 94 -11.272 -20.875 -13.003 745 2HD1 LEU 94 2HD1 LEU 94 -12.485 -20.787 -11.726 746 3HD1 LEU 94 3HD1 LEU 94 -11.272 -19.516 -11.878 747 1HD2 LEU 94 1HD2 LEU 94 -13.004 -21.256 -14.469 748 2HD2 LEU 94 2HD2 LEU 94 -13.900 -19.894 -15.143 749 3HD2 LEU 94 3HD2 LEU 94 -14.499 -20.718 -13.703 750 H PHE 95 H PHE 95 -13.283 -17.175 -15.598 751 HA PHE 95 HA PHE 95 -15.494 -18.563 -16.849 752 1HB PHE 95 2HB PHE 95 -16.089 -16.068 -16.695 753 2HB PHE 95 3HB PHE 95 -14.816 -15.817 -17.886 754 HD1 PHE 95 HD1 PHE 95 -18.192 -16.983 -17.302 755 HD2 PHE 95 HD2 PHE 95 -15.032 -16.779 -20.146 756 HE1 PHE 95 HE1 PHE 95 -19.784 -17.508 -19.104 757 HE2 PHE 95 HE2 PHE 95 -16.618 -17.302 -21.952 758 HZ PHE 95 HZ PHE 95 -18.998 -17.667 -21.432 759 H ASN 96 H ASN 96 -14.596 -19.949 -18.209 760 HA ASN 96 HA ASN 96 -12.277 -19.091 -19.793 761 1HB ASN 96 2HB ASN 96 -12.510 -21.498 -18.026 762 2HB ASN 96 3HB ASN 96 -11.536 -21.596 -19.490 763 1HD2 ASN 96 1HD2 ASN 96 -11.734 -20.455 -16.284 764 2HD2 ASN 96 2HD2 ASN 96 -10.186 -19.691 -16.215 765 H GLY 97 H GLY 97 -15.178 -19.412 -20.344 766 1HA GLY 97 2HA GLY 97 -16.356 -20.007 -22.242 767 2HA GLY 97 3HA GLY 97 -14.901 -20.780 -22.853 768 HA PRO 98 HA PRO 98 -17.088 -24.038 -20.014 769 1HB PRO 98 2HB PRO 98 -19.603 -23.425 -19.196 770 2HB PRO 98 3HB PRO 98 -18.161 -23.011 -18.261 771 1HG PRO 98 2HG PRO 98 -19.789 -21.292 -20.093 772 2HG PRO 98 3HG PRO 98 -19.107 -20.901 -18.504 773 1HD PRO 98 2HD PRO 98 -17.948 -20.113 -20.821 774 2HD PRO 98 3HD PRO 98 -17.007 -20.496 -19.365 775 H LEU 99 H LEU 99 -18.656 -22.167 -22.456 776 HA LEU 99 HA LEU 99 -20.618 -24.102 -23.202 777 1HB LEU 99 2HB LEU 99 -20.425 -21.527 -23.706 778 2HB LEU 99 3HB LEU 99 -19.557 -22.094 -25.131 779 HG LEU 99 HG LEU 99 -21.823 -23.616 -25.215 780 1HD1 LEU 99 1HD1 LEU 99 -23.577 -21.677 -24.996 781 2HD1 LEU 99 2HD1 LEU 99 -22.425 -21.060 -23.812 782 3HD1 LEU 99 3HD1 LEU 99 -23.134 -22.661 -23.601 783 1HD2 LEU 99 1HD2 LEU 99 -22.518 -22.118 -27.017 784 2HD2 LEU 99 2HD2 LEU 99 -20.785 -22.439 -27.081 785 3HD2 LEU 99 3HD2 LEU 99 -21.374 -20.901 -26.450 786 H GLU 100 H GLU 100 -20.459 -25.806 -24.528 787 HA GLU 100 HA GLU 100 -17.833 -26.484 -25.574 788 1HB GLU 100 2HB GLU 100 -18.763 -28.691 -25.979 789 2HB GLU 100 3HB GLU 100 -19.138 -28.174 -24.341 790 1HG GLU 100 2HG GLU 100 -21.383 -27.418 -25.263 791 2HG GLU 100 3HG GLU 100 -20.971 -28.343 -26.706 792 H HIS 101 H HIS 101 -20.099 -24.562 -26.701 793 HA HIS 101 HA HIS 101 -20.676 -23.778 -28.757 794 1HB HIS 101 2HB HIS 101 -18.084 -24.942 -29.086 795 2HB HIS 101 3HB HIS 101 -19.038 -25.284 -30.526 796 HD1 HIS 101 HD1 HIS 101 -16.936 -22.755 -29.091 797 HD2 HIS 101 HD2 HIS 101 -20.243 -22.771 -31.605 798 HE1 HIS 101 HE1 HIS 101 -16.930 -20.510 -30.223 Start of MODEL 2 1 1H MET 1 H MET 1 1.550 -0.296 0.123 2 HA MET 1 HA MET 1 2.188 -1.747 -2.165 3 1HB MET 1 2HB MET 1 0.662 0.070 -3.151 4 2HB MET 1 3HB MET 1 1.986 1.182 -2.830 5 1HG MET 1 2HG MET 1 2.176 0.528 -5.087 6 2HG MET 1 3HG MET 1 3.450 -0.312 -4.206 7 1HE MET 1 1HE MET 1 0.532 -1.987 -7.006 8 2HE MET 1 2HE MET 1 1.047 -0.330 -6.694 9 3HE MET 1 3HE MET 1 2.204 -1.512 -7.307 10 H LYS 2 H LYS 2 4.386 -1.432 -2.859 11 HA LYS 2 HA LYS 2 5.986 0.047 -0.877 12 1HB LYS 2 2HB LYS 2 6.528 -2.508 -2.377 13 2HB LYS 2 3HB LYS 2 7.819 -1.593 -1.609 14 1HG LYS 2 2HG LYS 2 5.477 -2.215 0.075 15 2HG LYS 2 3HG LYS 2 6.496 -3.576 -0.400 16 1HD LYS 2 2HD LYS 2 8.061 -1.288 0.458 17 2HD LYS 2 3HD LYS 2 6.942 -1.833 1.710 18 1HE LYS 2 2HE LYS 2 7.823 -4.181 1.221 19 2HE LYS 2 3HE LYS 2 9.123 -3.381 0.339 20 1HZ LYS 2 1HZ LYS 2 8.571 -2.456 3.054 21 2HZ LYS 2 2HZ LYS 2 10.045 -2.584 2.235 22 3HZ LYS 2 3HZ LYS 2 9.319 -3.965 2.889 23 H VAL 3 H VAL 3 7.535 1.453 -1.548 24 HA VAL 3 HA VAL 3 8.042 1.678 -4.434 25 HB VAL 3 HB VAL 3 7.757 4.158 -2.777 26 1HG1 VAL 3 1HG1 VAL 3 8.771 4.500 -4.892 27 2HG1 VAL 3 2HG1 VAL 3 7.568 3.498 -5.708 28 3HG1 VAL 3 3HG1 VAL 3 7.107 5.063 -5.038 29 1HG2 VAL 3 1HG2 VAL 3 5.415 4.341 -3.552 30 2HG2 VAL 3 2HG2 VAL 3 5.513 2.689 -4.160 31 3HG2 VAL 3 3HG2 VAL 3 5.664 3.002 -2.431 32 H TYR 4 H TYR 4 10.057 2.548 -5.005 33 HA TYR 4 HA TYR 4 11.948 3.041 -2.817 34 1HB TYR 4 2HB TYR 4 12.868 1.022 -3.178 35 2HB TYR 4 3HB TYR 4 11.966 0.789 -4.671 36 HD1 TYR 4 HD1 TYR 4 15.007 2.362 -3.248 37 HD2 TYR 4 HD2 TYR 4 13.010 1.054 -6.770 38 HE1 TYR 4 HE1 TYR 4 17.072 2.707 -4.540 39 HE2 TYR 4 HE2 TYR 4 15.069 1.394 -8.071 40 HH TYR 4 HH TYR 4 17.343 1.687 -7.877 41 H VAL 5 H VAL 5 12.842 4.959 -3.120 42 HA VAL 5 HA VAL 5 13.200 5.935 -5.878 43 HB VAL 5 HB VAL 5 13.277 8.224 -4.811 44 1HG1 VAL 5 1HG1 VAL 5 10.644 7.882 -4.172 45 2HG1 VAL 5 2HG1 VAL 5 11.272 8.103 -5.807 46 3HG1 VAL 5 3HG1 VAL 5 10.959 6.479 -5.193 47 1HG2 VAL 5 1HG2 VAL 5 11.718 7.487 -2.505 48 2HG2 VAL 5 2HG2 VAL 5 13.309 6.728 -2.451 49 3HG2 VAL 5 3HG2 VAL 5 13.172 8.480 -2.604 50 H GLY 6 H GLY 6 15.250 5.462 -6.434 51 1HA GLY 6 2HA GLY 6 17.384 6.070 -4.490 52 2HA GLY 6 3HA GLY 6 17.530 4.929 -5.818 53 H ASN 7 H ASN 7 19.558 6.369 -5.953 54 HA ASN 7 HA ASN 7 20.775 7.834 -7.196 55 1HB ASN 7 2HB ASN 7 18.290 7.489 -8.770 56 2HB ASN 7 3HB ASN 7 19.256 8.910 -9.159 57 1HD2 ASN 7 1HD2 ASN 7 19.603 5.431 -8.582 58 2HD2 ASN 7 2HD2 ASN 7 20.803 5.175 -9.799 59 H LEU 8 H LEU 8 20.607 9.101 -5.150 60 HA LEU 8 HA LEU 8 19.388 11.715 -5.718 61 1HB LEU 8 2HB LEU 8 19.472 10.496 -2.970 62 2HB LEU 8 3HB LEU 8 18.641 11.965 -3.477 63 HG LEU 8 HG LEU 8 17.615 9.772 -4.984 64 1HD1 LEU 8 1HD1 LEU 8 17.094 8.147 -3.500 65 2HD1 LEU 8 2HD1 LEU 8 17.020 9.260 -2.135 66 3HD1 LEU 8 3HD1 LEU 8 18.582 8.702 -2.734 67 1HD2 LEU 8 1HD2 LEU 8 15.561 10.603 -4.282 68 2HD2 LEU 8 2HD2 LEU 8 16.607 12.022 -4.232 69 3HD2 LEU 8 3HD2 LEU 8 16.205 11.170 -2.741 70 H GLY 9 H GLY 9 21.087 13.006 -6.049 71 1HA GLY 9 2HA GLY 9 22.885 13.612 -3.936 72 2HA GLY 9 3HA GLY 9 23.687 12.634 -5.156 73 H THR 10 H THR 10 21.529 15.470 -5.012 74 HA THR 10 HA THR 10 23.367 17.225 -6.216 75 HB THR 10 HB THR 10 22.953 15.824 -8.217 76 HG1 THR 10 HG1 THR 10 22.674 17.584 -9.556 77 1HG2 THR 10 1HG2 THR 10 20.902 15.323 -9.018 78 2HG2 THR 10 2HG2 THR 10 20.244 16.909 -8.616 79 3HG2 THR 10 3HG2 THR 10 20.382 15.669 -7.370 80 H GLY 11 H GLY 11 21.523 17.240 -4.054 81 1HA GLY 11 2HA GLY 11 20.317 18.995 -3.095 82 2HA GLY 11 3HA GLY 11 20.123 19.703 -4.692 83 H ALA 12 H ALA 12 19.355 16.402 -4.584 84 HA ALA 12 HA ALA 12 16.497 16.998 -4.207 85 1HB ALA 12 1HB ALA 12 17.831 15.605 -6.487 86 2HB ALA 12 2HB ALA 12 16.187 15.162 -6.026 87 3HB ALA 12 3HB ALA 12 16.552 16.819 -6.506 88 H GLY 13 H GLY 13 16.057 16.002 -2.326 89 1HA GLY 13 2HA GLY 13 16.490 13.110 -2.206 90 2HA GLY 13 3HA GLY 13 17.156 14.084 -0.904 91 H LYS 14 H LYS 14 15.938 14.042 0.850 92 HA LYS 14 HA LYS 14 13.401 13.004 1.082 93 1HB LYS 14 2HB LYS 14 15.110 13.703 2.904 94 2HB LYS 14 3HB LYS 14 14.303 15.264 2.846 95 1HG LYS 14 2HG LYS 14 12.388 14.469 3.794 96 2HG LYS 14 3HG LYS 14 12.625 12.835 3.171 97 1HD LYS 14 2HD LYS 14 13.360 12.273 5.198 98 2HD LYS 14 3HD LYS 14 14.785 13.263 4.875 99 1HE LYS 14 2HE LYS 14 14.105 14.279 6.786 100 2HE LYS 14 3HE LYS 14 13.113 15.190 5.649 101 1HZ LYS 14 1HZ LYS 14 11.613 12.990 6.227 102 2HZ LYS 14 2HZ LYS 14 11.397 14.536 6.877 103 3HZ LYS 14 3HZ LYS 14 12.310 13.387 7.717 104 H GLY 15 H GLY 15 14.248 16.468 0.908 105 1HA GLY 15 2HA GLY 15 11.606 17.425 0.867 106 2HA GLY 15 3HA GLY 15 13.012 18.294 0.270 107 H GLU 16 H GLU 16 13.779 16.521 -1.779 108 HA GLU 16 HA GLU 16 12.162 17.426 -3.888 109 1HB GLU 16 2HB GLU 16 14.643 16.404 -3.757 110 2HB GLU 16 3HB GLU 16 13.782 14.977 -4.316 111 1HG GLU 16 2HG GLU 16 14.351 15.901 -6.312 112 2HG GLU 16 3HG GLU 16 12.782 16.665 -6.063 113 H LEU 17 H LEU 17 12.554 14.103 -2.646 114 HA LEU 17 HA LEU 17 10.459 13.005 -4.177 115 1HB LEU 17 2HB LEU 17 10.940 11.044 -3.150 116 2HB LEU 17 3HB LEU 17 12.415 11.927 -2.759 117 HG LEU 17 HG LEU 17 11.048 12.539 -0.579 118 1HD1 LEU 17 1HD1 LEU 17 9.290 10.766 -1.839 119 2HD1 LEU 17 2HD1 LEU 17 9.199 11.380 -0.189 120 3HD1 LEU 17 3HD1 LEU 17 10.025 9.857 -0.518 121 1HD2 LEU 17 1HD2 LEU 17 12.390 9.878 -1.048 122 2HD2 LEU 17 2HD2 LEU 17 12.102 10.623 0.525 123 3HD2 LEU 17 3HD2 LEU 17 13.194 11.391 -0.629 124 H GLU 18 H GLU 18 10.518 14.679 -1.126 125 HA GLU 18 HA GLU 18 8.006 13.849 -0.142 126 1HB GLU 18 2HB GLU 18 9.591 14.911 1.333 127 2HB GLU 18 3HB GLU 18 9.600 16.367 0.348 128 1HG GLU 18 2HG GLU 18 7.748 17.175 1.299 129 2HG GLU 18 3HG GLU 18 6.953 15.601 1.322 130 H ARG 19 H ARG 19 8.950 16.804 -1.898 131 HA ARG 19 HA ARG 19 6.339 17.835 -2.134 132 1HB ARG 19 2HB ARG 19 8.592 19.026 -2.485 133 2HB ARG 19 3HB ARG 19 8.542 18.366 -4.114 134 1HG ARG 19 2HG ARG 19 6.969 19.815 -4.794 135 2HG ARG 19 3HG ARG 19 6.100 19.754 -3.259 136 1HD ARG 19 2HD ARG 19 7.098 21.974 -3.760 137 2HD ARG 19 3HD ARG 19 7.661 21.265 -2.247 138 HE ARG 19 HE ARG 19 9.407 20.620 -4.390 139 1HH1 ARG 19 1HH1 ARG 19 8.506 23.201 -2.235 140 2HH1 ARG 19 2HH1 ARG 19 10.055 23.975 -2.304 141 1HH2 ARG 19 1HH2 ARG 19 11.450 21.629 -4.490 142 2HH2 ARG 19 2HH2 ARG 19 11.728 23.080 -3.588 143 H ALA 20 H ALA 20 8.272 15.759 -4.238 144 HA ALA 20 HA ALA 20 6.520 15.746 -6.444 145 1HB ALA 20 1HB ALA 20 8.977 14.556 -5.771 146 2HB ALA 20 2HB ALA 20 7.887 13.242 -6.216 147 3HB ALA 20 3HB ALA 20 8.173 14.570 -7.341 148 H PHE 21 H PHE 21 7.055 13.093 -4.114 149 HA PHE 21 HA PHE 21 4.899 11.530 -4.808 150 1HB PHE 21 2HB PHE 21 6.429 11.896 -2.264 151 2HB PHE 21 3HB PHE 21 4.983 10.892 -2.252 152 HD1 PHE 21 HD1 PHE 21 8.114 11.359 -4.223 153 HD2 PHE 21 HD2 PHE 21 5.214 8.649 -2.687 154 HE1 PHE 21 HE1 PHE 21 9.429 9.467 -5.087 155 HE2 PHE 21 HE2 PHE 21 6.524 6.753 -3.547 156 HZ PHE 21 HZ PHE 21 8.635 7.161 -4.749 157 H SER 22 H SER 22 4.998 14.116 -2.374 158 HA SER 22 HA SER 22 2.351 13.887 -1.493 159 1HB SER 22 2HB SER 22 3.986 15.201 -0.262 160 2HB SER 22 3HB SER 22 4.139 16.328 -1.610 161 HG SER 22 HG SER 22 2.311 17.252 -1.060 162 H TYR 23 H TYR 23 3.756 15.814 -4.110 163 HA TYR 23 HA TYR 23 1.482 17.259 -4.830 164 1HB TYR 23 2HB TYR 23 4.037 16.534 -6.113 165 2HB TYR 23 3HB TYR 23 2.729 16.913 -7.228 166 HD1 TYR 23 HD1 TYR 23 3.338 18.996 -8.098 167 HD2 TYR 23 HD2 TYR 23 3.419 18.396 -3.886 168 HE1 TYR 23 HE1 TYR 23 3.751 21.398 -7.770 169 HE2 TYR 23 HE2 TYR 23 3.831 20.797 -3.546 170 HH TYR 23 HH TYR 23 3.894 22.811 -4.530 171 H TYR 24 H TYR 24 2.577 14.055 -5.857 172 HA TYR 24 HA TYR 24 0.454 13.665 -7.725 173 1HB TYR 24 2HB TYR 24 2.580 11.933 -6.529 174 2HB TYR 24 3HB TYR 24 1.236 11.175 -7.374 175 HD1 TYR 24 HD1 TYR 24 3.815 13.833 -7.835 176 HD2 TYR 24 HD2 TYR 24 1.367 10.876 -9.670 177 HE1 TYR 24 HE1 TYR 24 4.945 14.238 -9.982 178 HE2 TYR 24 HE2 TYR 24 2.492 11.272 -11.821 179 HH TYR 24 HH TYR 24 3.765 13.252 -12.895 180 H GLY 25 H GLY 25 0.954 12.913 -4.330 181 1HA GLY 25 2HA GLY 25 -1.664 12.888 -3.552 182 2HA GLY 25 3HA GLY 25 -1.377 11.247 -4.111 183 HA PRO 26 HA PRO 26 0.123 12.043 0.358 184 1HB PRO 26 2HB PRO 26 -1.979 10.988 1.715 185 2HB PRO 26 3HB PRO 26 -1.870 12.701 1.293 186 1HG PRO 26 2HG PRO 26 -3.384 10.506 -0.069 187 2HG PRO 26 3HG PRO 26 -3.900 12.164 0.292 188 1HD PRO 26 2HD PRO 26 -3.045 11.406 -2.163 189 2HD PRO 26 3HD PRO 26 -2.782 13.041 -1.523 190 H LEU 27 H LEU 27 1.625 10.483 0.488 191 HA LEU 27 HA LEU 27 0.949 7.713 -0.048 192 1HB LEU 27 2HB LEU 27 3.442 7.428 0.549 193 2HB LEU 27 3HB LEU 27 3.005 8.234 -0.956 194 HG LEU 27 HG LEU 27 3.464 10.403 0.055 195 1HD1 LEU 27 1HD1 LEU 27 4.548 10.495 2.282 196 2HD1 LEU 27 2HD1 LEU 27 4.158 8.790 2.503 197 3HD1 LEU 27 3HD1 LEU 27 2.863 9.977 2.341 198 1HD2 LEU 27 1HD2 LEU 27 5.313 8.507 -0.706 199 2HD2 LEU 27 2HD2 LEU 27 5.941 9.094 0.834 200 3HD2 LEU 27 3HD2 LEU 27 5.622 10.229 -0.478 201 H ARG 28 H ARG 28 2.296 6.166 1.565 202 HA ARG 28 HA ARG 28 0.914 6.418 4.080 203 1HB ARG 28 2HB ARG 28 1.148 4.239 2.944 204 2HB ARG 28 3HB ARG 28 2.892 4.328 3.151 205 1HG ARG 28 2HG ARG 28 2.727 3.407 5.153 206 2HG ARG 28 3HG ARG 28 1.649 4.698 5.687 207 1HD ARG 28 2HD ARG 28 0.452 2.626 3.958 208 2HD ARG 28 3HD ARG 28 0.934 2.108 5.573 209 HE ARG 28 HE ARG 28 -1.287 3.760 4.898 210 1HH1 ARG 28 1HH1 ARG 28 1.104 3.153 7.355 211 2HH1 ARG 28 2HH1 ARG 28 0.126 3.772 8.644 212 1HH2 ARG 28 1HH2 ARG 28 -2.584 4.578 6.587 213 2HH2 ARG 28 2HH2 ARG 28 -1.972 4.582 8.206 214 H THR 29 H THR 29 4.332 6.167 3.103 215 HA THR 29 HA THR 29 5.152 8.043 5.101 216 HB THR 29 HB THR 29 6.822 6.127 5.991 217 HG1 THR 29 HG1 THR 29 4.364 4.734 5.854 218 1HG2 THR 29 1HG2 THR 29 4.393 5.933 7.522 219 2HG2 THR 29 2HG2 THR 29 4.656 7.597 7.001 220 3HG2 THR 29 3HG2 THR 29 5.901 6.754 7.922 221 H VAL 30 H VAL 30 7.434 8.529 4.994 222 HA VAL 30 HA VAL 30 8.700 7.574 2.508 223 HB VAL 30 HB VAL 30 8.033 9.847 2.144 224 1HG1 VAL 30 1HG1 VAL 30 9.313 10.371 4.813 225 2HG1 VAL 30 2HG1 VAL 30 8.965 11.659 3.657 226 3HG1 VAL 30 3HG1 VAL 30 7.651 10.683 4.315 227 1HG2 VAL 30 1HG2 VAL 30 10.160 10.893 1.675 228 2HG2 VAL 30 2HG2 VAL 30 10.974 9.821 2.816 229 3HG2 VAL 30 3HG2 VAL 30 10.268 9.165 1.339 230 H TRP 31 H TRP 31 10.901 7.194 2.535 231 HA TRP 31 HA TRP 31 12.395 7.678 4.988 232 1HB TRP 31 2HB TRP 31 11.183 5.331 4.929 233 2HB TRP 31 3HB TRP 31 12.531 4.904 3.879 234 HD1 TRP 31 HD1 TRP 31 12.214 6.689 7.327 235 HE1 TRP 31 HE1 TRP 31 14.052 5.750 8.864 236 HE3 TRP 31 HE3 TRP 31 14.404 3.415 4.067 237 HZ2 TRP 31 HZ2 TRP 31 16.153 3.871 8.715 238 HZ3 TRP 31 HZ3 TRP 31 16.323 2.085 4.843 239 HH2 TRP 31 HH2 TRP 31 17.179 2.310 7.119 240 H ILE 32 H ILE 32 14.663 7.567 4.724 241 HA ILE 32 HA ILE 32 15.640 7.194 1.985 242 HB ILE 32 HB ILE 32 16.149 9.632 3.688 243 1HG1 ILE 32 2HG1 ILE 32 15.466 10.216 0.987 244 2HG1 ILE 32 3HG1 ILE 32 14.305 9.037 1.588 245 1HG2 ILE 32 1HG2 ILE 32 17.522 10.276 1.573 246 2HG2 ILE 32 2HG2 ILE 32 18.251 9.257 2.814 247 3HG2 ILE 32 3HG2 ILE 32 17.622 8.531 1.335 248 1HD1 ILE 32 1HD1 ILE 32 13.447 11.227 1.977 249 2HD1 ILE 32 2HD1 ILE 32 13.898 10.525 3.532 250 3HD1 ILE 32 3HD1 ILE 32 14.942 11.726 2.770 251 H ALA 33 H ALA 33 17.732 6.454 1.818 252 HA ALA 33 HA ALA 33 18.973 5.620 4.350 253 1HB ALA 33 1HB ALA 33 19.856 3.764 3.273 254 2HB ALA 33 2HB ALA 33 18.270 3.939 2.521 255 3HB ALA 33 3HB ALA 33 19.713 4.498 1.675 256 H ARG 34 H ARG 34 20.466 7.048 4.978 257 HA ARG 34 HA ARG 34 21.952 8.651 3.121 258 1HB ARG 34 2HB ARG 34 21.333 8.775 5.855 259 2HB ARG 34 3HB ARG 34 23.081 8.606 5.780 260 1HG ARG 34 2HG ARG 34 21.952 10.567 3.912 261 2HG ARG 34 3HG ARG 34 21.753 10.956 5.622 262 1HD ARG 34 2HD ARG 34 23.917 11.449 5.857 263 2HD ARG 34 3HD ARG 34 24.418 9.980 5.021 264 HE ARG 34 HE ARG 34 24.768 11.237 3.155 265 1HH1 ARG 34 1HH1 ARG 34 22.579 12.953 5.248 266 2HH1 ARG 34 2HH1 ARG 34 22.535 14.372 4.254 267 1HH2 ARG 34 1HH2 ARG 34 24.718 13.098 1.838 268 2HH2 ARG 34 2HH2 ARG 34 23.751 14.453 2.314 269 H ASN 35 H ASN 35 22.444 5.645 4.780 270 HA ASN 35 HA ASN 35 25.170 5.388 4.894 271 1HB ASN 35 2HB ASN 35 22.903 3.537 4.634 272 2HB ASN 35 3HB ASN 35 24.427 2.892 4.032 273 1HD2 ASN 35 1HD2 ASN 35 24.848 1.447 5.605 274 2HD2 ASN 35 2HD2 ASN 35 25.122 1.862 7.260 275 HA PRO 36 HA PRO 36 25.325 3.867 0.313 276 1HB PRO 36 2HB PRO 36 23.078 4.168 -1.180 277 2HB PRO 36 3HB PRO 36 23.410 2.717 -0.227 278 1HG PRO 36 2HG PRO 36 21.663 5.057 0.431 279 2HG PRO 36 3HG PRO 36 21.352 3.327 0.667 280 1HD PRO 36 2HD PRO 36 22.159 4.950 2.679 281 2HD PRO 36 3HD PRO 36 22.612 3.236 2.596 282 HA PRO 37 HA PRO 37 26.082 7.761 -1.584 283 1HB PRO 37 2HB PRO 37 26.030 7.185 -4.237 284 2HB PRO 37 3HB PRO 37 27.336 6.664 -3.166 285 1HG PRO 37 2HG PRO 37 24.971 5.121 -4.161 286 2HG PRO 37 3HG PRO 37 26.662 4.607 -4.016 287 1HD PRO 37 2HD PRO 37 24.772 3.926 -2.200 288 2HD PRO 37 3HD PRO 37 26.472 4.185 -1.758 289 H GLY 38 H GLY 38 23.191 6.050 -2.548 290 1HA GLY 38 2HA GLY 38 21.543 8.308 -2.439 291 2HA GLY 38 3HA GLY 38 21.996 8.063 -4.119 292 H PHE 39 H PHE 39 20.426 6.567 -1.339 293 HA PHE 39 HA PHE 39 18.614 5.190 -3.154 294 1HB PHE 39 2HB PHE 39 20.423 3.798 -1.192 295 2HB PHE 39 3HB PHE 39 18.900 3.078 -1.702 296 HD1 PHE 39 HD1 PHE 39 18.775 3.740 -4.528 297 HD2 PHE 39 HD2 PHE 39 22.100 2.542 -2.156 298 HE1 PHE 39 HE1 PHE 39 19.874 2.831 -6.533 299 HE2 PHE 39 HE2 PHE 39 23.205 1.633 -4.157 300 HZ PHE 39 HZ PHE 39 22.093 1.778 -6.350 301 H ALA 40 H ALA 40 16.624 5.592 -2.481 302 HA ALA 40 HA ALA 40 16.117 5.781 0.414 303 1HB ALA 40 1HB ALA 40 15.728 7.809 -1.616 304 2HB ALA 40 2HB ALA 40 14.231 7.438 -0.760 305 3HB ALA 40 3HB ALA 40 15.661 7.942 0.142 306 H PHE 41 H PHE 41 13.913 5.314 1.051 307 HA PHE 41 HA PHE 41 12.448 3.674 -0.906 308 1HB PHE 41 2HB PHE 41 13.520 2.928 1.722 309 2HB PHE 41 3HB PHE 41 11.822 2.517 1.505 310 HD1 PHE 41 HD1 PHE 41 11.182 0.671 0.215 311 HD2 PHE 41 HD2 PHE 41 15.193 2.084 0.041 312 HE1 PHE 41 HE1 PHE 41 11.828 -1.331 -1.060 313 HE2 PHE 41 HE2 PHE 41 15.846 0.084 -1.235 314 HZ PHE 41 HZ PHE 41 14.162 -1.626 -1.788 315 H VAL 42 H VAL 42 10.212 3.728 -0.799 316 HA VAL 42 HA VAL 42 8.987 5.483 1.204 317 HB VAL 42 HB VAL 42 8.434 5.730 -1.755 318 1HG1 VAL 42 1HG1 VAL 42 6.465 6.216 -0.492 319 2HG1 VAL 42 2HG1 VAL 42 7.375 7.213 0.645 320 3HG1 VAL 42 3HG1 VAL 42 7.157 7.748 -1.022 321 1HG2 VAL 42 1HG2 VAL 42 9.567 7.842 -1.688 322 2HG2 VAL 42 2HG2 VAL 42 9.829 7.701 0.050 323 3HG2 VAL 42 3HG2 VAL 42 10.660 6.609 -1.058 324 H GLU 43 H GLU 43 6.760 5.120 1.559 325 HA GLU 43 HA GLU 43 5.728 2.621 0.388 326 1HB GLU 43 2HB GLU 43 6.467 2.459 2.803 327 2HB GLU 43 3HB GLU 43 5.171 3.580 3.194 328 1HG GLU 43 2HG GLU 43 3.525 2.008 2.352 329 2HG GLU 43 3HG GLU 43 4.809 0.890 1.894 330 H PHE 44 H PHE 44 3.824 2.780 -0.596 331 HA PHE 44 HA PHE 44 2.232 5.214 -0.151 332 1HB PHE 44 2HB PHE 44 3.125 3.924 -2.531 333 2HB PHE 44 3HB PHE 44 1.369 3.815 -2.481 334 HD1 PHE 44 HD1 PHE 44 0.186 6.091 -1.764 335 HD2 PHE 44 HD2 PHE 44 4.046 5.767 -3.528 336 HE1 PHE 44 HE1 PHE 44 0.018 8.416 -2.551 337 HE2 PHE 44 HE2 PHE 44 3.884 8.092 -4.317 338 HZ PHE 44 HZ PHE 44 1.869 9.420 -3.828 339 H GLU 45 H GLU 45 0.384 4.996 0.908 340 HA GLU 45 HA GLU 45 -0.623 2.650 1.942 341 1HB GLU 45 2HB GLU 45 -2.641 3.863 2.458 342 2HB GLU 45 3HB GLU 45 -1.266 4.938 2.669 343 1HG GLU 45 2HG GLU 45 -1.755 5.764 0.314 344 2HG GLU 45 3HG GLU 45 -3.295 4.919 0.463 345 H ASP 46 H ASP 46 -1.265 4.136 -1.170 346 HA ASP 46 HA ASP 46 -2.918 1.800 -1.881 347 1HB ASP 46 2HB ASP 46 -3.535 4.570 -2.061 348 2HB ASP 46 3HB ASP 46 -3.355 3.959 -3.703 349 HA PRO 47 HA PRO 47 0.088 0.809 -4.933 350 1HB PRO 47 2HB PRO 47 -1.471 -0.592 -6.659 351 2HB PRO 47 3HB PRO 47 -0.959 -1.230 -5.092 352 1HG PRO 47 2HG PRO 47 -3.565 0.022 -5.867 353 2HG PRO 47 3HG PRO 47 -3.266 -1.414 -4.870 354 1HD PRO 47 2HD PRO 47 -3.846 1.007 -3.803 355 2HD PRO 47 3HD PRO 47 -2.786 -0.164 -2.993 356 H ARG 48 H ARG 48 -3.048 1.839 -6.294 357 HA ARG 48 HA ARG 48 -2.205 2.616 -8.800 358 1HB ARG 48 2HB ARG 48 -4.546 2.563 -8.280 359 2HB ARG 48 3HB ARG 48 -4.354 3.791 -7.036 360 1HG ARG 48 2HG ARG 48 -4.061 5.500 -8.600 361 2HG ARG 48 3HG ARG 48 -3.717 4.364 -9.907 362 1HD ARG 48 2HD ARG 48 -5.982 5.410 -10.013 363 2HD ARG 48 3HD ARG 48 -5.992 3.647 -9.978 364 HE ARG 48 HE ARG 48 -6.230 4.629 -7.355 365 1HH1 ARG 48 1HH1 ARG 48 -8.040 4.410 -10.321 366 2HH1 ARG 48 2HH1 ARG 48 -9.582 4.395 -9.532 367 1HH2 ARG 48 1HH2 ARG 48 -8.255 4.610 -6.304 368 2HH2 ARG 48 2HH2 ARG 48 -9.703 4.510 -7.247 369 H ASP 49 H ASP 49 -2.101 4.443 -5.778 370 HA ASP 49 HA ASP 49 -1.185 6.868 -6.946 371 1HB ASP 49 2HB ASP 49 -0.793 5.961 -4.090 372 2HB ASP 49 3HB ASP 49 -0.799 7.617 -4.692 373 H ALA 50 H ALA 50 0.406 4.030 -5.626 374 HA ALA 50 HA ALA 50 3.029 5.135 -5.584 375 1HB ALA 50 1HB ALA 50 1.792 2.681 -4.852 376 2HB ALA 50 2HB ALA 50 3.177 2.323 -5.885 377 3HB ALA 50 3HB ALA 50 3.393 3.283 -4.421 378 H GLU 51 H GLU 51 1.276 3.086 -7.895 379 HA GLU 51 HA GLU 51 3.419 2.802 -9.717 380 1HB GLU 51 2HB GLU 51 1.693 2.060 -11.314 381 2HB GLU 51 3HB GLU 51 1.532 1.274 -9.750 382 1HG GLU 51 2HG GLU 51 -0.257 2.864 -9.167 383 2HG GLU 51 3HG GLU 51 -0.127 3.563 -10.780 384 H ASP 52 H ASP 52 0.760 5.115 -9.478 385 HA ASP 52 HA ASP 52 1.272 6.447 -11.921 386 1HB ASP 52 2HB ASP 52 -0.260 7.119 -9.433 387 2HB ASP 52 3HB ASP 52 0.014 8.364 -10.649 388 H ALA 53 H ALA 53 2.202 7.189 -8.570 389 HA ALA 53 HA ALA 53 3.594 9.557 -9.085 390 1HB ALA 53 1HB ALA 53 4.936 8.612 -6.956 391 2HB ALA 53 2HB ALA 53 3.337 9.352 -6.853 392 3HB ALA 53 3HB ALA 53 3.495 7.596 -6.885 393 H VAL 54 H VAL 54 4.872 6.244 -8.747 394 HA VAL 54 HA VAL 54 7.542 6.821 -9.297 395 HB VAL 54 HB VAL 54 6.010 4.290 -9.913 396 1HG1 VAL 54 1HG1 VAL 54 7.860 3.658 -10.988 397 2HG1 VAL 54 2HG1 VAL 54 8.766 5.061 -10.416 398 3HG1 VAL 54 3HG1 VAL 54 8.641 3.619 -9.408 399 1HG2 VAL 54 1HG2 VAL 54 6.638 5.470 -7.463 400 2HG2 VAL 54 2HG2 VAL 54 6.099 3.814 -7.741 401 3HG2 VAL 54 3HG2 VAL 54 7.823 4.181 -7.674 402 H ARG 55 H ARG 55 5.064 5.587 -11.550 403 HA ARG 55 HA ARG 55 6.562 5.602 -13.868 404 1HB ARG 55 2HB ARG 55 3.630 6.039 -13.366 405 2HB ARG 55 3HB ARG 55 4.287 6.085 -14.997 406 1HG ARG 55 2HG ARG 55 5.061 3.814 -14.801 407 2HG ARG 55 3HG ARG 55 4.563 3.757 -13.108 408 1HD ARG 55 2HD ARG 55 2.225 4.415 -14.125 409 2HD ARG 55 3HD ARG 55 2.909 3.701 -15.585 410 HE ARG 55 HE ARG 55 1.967 2.312 -13.291 411 1HH1 ARG 55 1HH1 ARG 55 4.377 2.218 -15.801 412 2HH1 ARG 55 2HH1 ARG 55 4.546 0.494 -15.754 413 1HH2 ARG 55 1HH2 ARG 55 2.181 0.042 -13.220 414 2HH2 ARG 55 2HH2 ARG 55 3.296 -0.743 -14.286 415 H GLY 56 H GLY 56 4.831 8.273 -12.332 416 1HA GLY 56 2HA GLY 56 5.267 10.139 -14.438 417 2HA GLY 56 3HA GLY 56 4.787 10.527 -12.793 418 H LEU 57 H LEU 57 6.777 9.883 -11.215 419 HA LEU 57 HA LEU 57 8.687 11.872 -11.576 420 1HB LEU 57 2HB LEU 57 8.882 9.353 -9.931 421 2HB LEU 57 3HB LEU 57 9.944 10.751 -9.777 422 HG LEU 57 HG LEU 57 6.973 10.781 -9.247 423 1HD1 LEU 57 1HD1 LEU 57 8.377 9.388 -7.671 424 2HD1 LEU 57 2HD1 LEU 57 7.452 10.700 -6.940 425 3HD1 LEU 57 3HD1 LEU 57 9.184 10.888 -7.213 426 1HD2 LEU 57 1HD2 LEU 57 8.069 12.923 -9.981 427 2HD2 LEU 57 2HD2 LEU 57 9.058 12.830 -8.523 428 3HD2 LEU 57 3HD2 LEU 57 7.304 12.970 -8.393 429 H ASP 58 H ASP 58 9.071 8.355 -12.012 430 HA ASP 58 HA ASP 58 11.706 8.523 -13.034 431 1HB ASP 58 2HB ASP 58 9.980 6.478 -12.263 432 2HB ASP 58 3HB ASP 58 10.223 6.209 -13.987 433 H GLY 59 H GLY 59 8.535 8.676 -14.510 434 1HA GLY 59 2HA GLY 59 9.496 8.382 -17.202 435 2HA GLY 59 3HA GLY 59 7.880 8.875 -16.719 436 H LYS 60 H LYS 60 9.369 10.972 -14.981 437 HA LYS 60 HA LYS 60 10.492 12.776 -16.911 438 1HB LYS 60 2HB LYS 60 8.051 12.995 -17.350 439 2HB LYS 60 3HB LYS 60 7.827 13.497 -15.679 440 1HG LYS 60 2HG LYS 60 7.854 15.465 -16.977 441 2HG LYS 60 3HG LYS 60 9.412 15.393 -16.151 442 1HD LYS 60 2HD LYS 60 10.476 14.556 -18.159 443 2HD LYS 60 3HD LYS 60 8.919 14.490 -18.989 444 1HE LYS 60 2HE LYS 60 9.810 17.081 -17.820 445 2HE LYS 60 3HE LYS 60 10.567 16.524 -19.312 446 1HZ LYS 60 1HZ LYS 60 7.629 16.725 -18.968 447 2HZ LYS 60 2HZ LYS 60 8.488 16.498 -20.407 448 3HZ LYS 60 3HZ LYS 60 8.572 17.981 -19.598 449 H VAL 61 H VAL 61 12.013 13.875 -15.874 450 HA VAL 61 HA VAL 61 12.600 13.724 -13.204 451 HB VAL 61 HB VAL 61 14.084 15.577 -13.470 452 1HG1 VAL 61 1HG1 VAL 61 13.922 14.311 -16.194 453 2HG1 VAL 61 2HG1 VAL 61 15.355 14.895 -15.347 454 3HG1 VAL 61 3HG1 VAL 61 14.514 13.456 -14.771 455 1HG2 VAL 61 1HG2 VAL 61 12.085 16.447 -15.442 456 2HG2 VAL 61 2HG2 VAL 61 13.127 17.399 -14.385 457 3HG2 VAL 61 3HG2 VAL 61 13.764 16.744 -15.894 458 H ILE 62 H ILE 62 12.445 15.241 -11.454 459 HA ILE 62 HA ILE 62 10.048 16.950 -11.607 460 HB ILE 62 HB ILE 62 9.537 15.070 -10.202 461 1HG1 ILE 62 2HG1 ILE 62 9.035 16.206 -8.086 462 2HG1 ILE 62 3HG1 ILE 62 10.191 17.473 -8.482 463 1HG2 ILE 62 1HG2 ILE 62 10.852 14.348 -8.364 464 2HG2 ILE 62 2HG2 ILE 62 11.945 14.515 -9.737 465 3HG2 ILE 62 3HG2 ILE 62 11.910 15.755 -8.483 466 1HD1 ILE 62 1HD1 ILE 62 7.723 17.959 -8.855 467 2HD1 ILE 62 2HD1 ILE 62 8.833 18.335 -10.173 468 3HD1 ILE 62 3HD1 ILE 62 7.843 16.878 -10.243 469 H CYS 63 H CYS 63 10.548 19.026 -11.471 470 HA CYS 63 HA CYS 63 11.682 20.956 -11.032 471 1HB CYS 63 2HB CYS 63 10.715 20.091 -8.737 472 2HB CYS 63 3HB CYS 63 12.416 19.875 -8.340 473 HG CYS 63 HG CYS 63 10.762 22.783 -8.988 474 H GLY 64 H GLY 64 13.242 19.189 -12.448 475 1HA GLY 64 2HA GLY 64 15.442 19.063 -13.134 476 2HA GLY 64 3HA GLY 64 15.865 20.147 -11.817 477 H SER 65 H SER 65 14.175 17.109 -11.367 478 HA SER 65 HA SER 65 16.620 15.974 -10.179 479 1HB SER 65 2HB SER 65 15.037 16.766 -8.428 480 2HB SER 65 3HB SER 65 13.816 15.672 -9.076 481 HG SER 65 HG SER 65 16.308 14.598 -8.432 482 H ARG 66 H ARG 66 17.114 14.597 -11.832 483 HA ARG 66 HA ARG 66 15.075 12.865 -12.956 484 1HB ARG 66 2HB ARG 66 16.863 12.067 -14.430 485 2HB ARG 66 3HB ARG 66 16.770 13.823 -14.436 486 1HG ARG 66 2HG ARG 66 18.595 13.305 -12.445 487 2HG ARG 66 3HG ARG 66 18.951 12.072 -13.656 488 1HD ARG 66 2HD ARG 66 19.265 13.724 -15.350 489 2HD ARG 66 3HD ARG 66 18.659 15.000 -14.295 490 HE ARG 66 HE ARG 66 20.800 14.025 -12.947 491 1HH1 ARG 66 1HH1 ARG 66 20.323 15.208 -16.187 492 2HH1 ARG 66 2HH1 ARG 66 21.942 15.806 -16.346 493 1HH2 ARG 66 1HH2 ARG 66 22.933 14.807 -13.145 494 2HH2 ARG 66 2HH2 ARG 66 23.426 15.576 -14.616 495 H VAL 67 H VAL 67 15.171 12.309 -10.343 496 HA VAL 67 HA VAL 67 17.045 10.370 -9.526 497 HB VAL 67 HB VAL 67 15.405 9.783 -7.770 498 1HG1 VAL 67 1HG1 VAL 67 15.076 12.416 -7.154 499 2HG1 VAL 67 2HG1 VAL 67 16.551 11.490 -6.871 500 3HG1 VAL 67 3HG1 VAL 67 16.397 12.484 -8.321 501 1HG2 VAL 67 1HG2 VAL 67 13.308 9.912 -8.780 502 2HG2 VAL 67 2HG2 VAL 67 13.337 11.314 -7.710 503 3HG2 VAL 67 3HG2 VAL 67 13.618 11.518 -9.439 504 H ARG 68 H ARG 68 16.460 8.084 -8.976 505 HA ARG 68 HA ARG 68 14.924 6.887 -11.187 506 1HB ARG 68 2HB ARG 68 17.595 6.460 -10.392 507 2HB ARG 68 3HB ARG 68 16.707 5.019 -9.918 508 1HG ARG 68 2HG ARG 68 15.761 5.372 -12.420 509 2HG ARG 68 3HG ARG 68 17.391 6.029 -12.590 510 1HD ARG 68 2HD ARG 68 18.223 3.974 -12.677 511 2HD ARG 68 3HD ARG 68 17.551 3.624 -11.084 512 HE ARG 68 HE ARG 68 15.561 3.400 -13.091 513 1HH1 ARG 68 1HH1 ARG 68 18.330 1.764 -11.758 514 2HH1 ARG 68 2HH1 ARG 68 17.779 0.185 -12.213 515 1HH2 ARG 68 1HH2 ARG 68 14.826 1.327 -13.695 516 2HH2 ARG 68 2HH2 ARG 68 15.787 -0.062 -13.316 517 H VAL 69 H VAL 69 12.966 6.418 -10.380 518 HA VAL 69 HA VAL 69 12.819 5.087 -7.758 519 HB VAL 69 HB VAL 69 11.504 7.094 -7.775 520 1HG1 VAL 69 1HG1 VAL 69 11.107 7.651 -9.984 521 2HG1 VAL 69 2HG1 VAL 69 10.507 6.042 -10.391 522 3HG1 VAL 69 3HG1 VAL 69 9.510 7.141 -9.438 523 1HG2 VAL 69 1HG2 VAL 69 9.695 4.701 -8.102 524 2HG2 VAL 69 2HG2 VAL 69 10.546 5.153 -6.625 525 3HG2 VAL 69 3HG2 VAL 69 9.289 6.205 -7.275 526 H GLU 70 H GLU 70 11.735 3.157 -7.524 527 HA GLU 70 HA GLU 70 10.504 1.938 -9.874 528 1HB GLU 70 2HB GLU 70 13.127 1.356 -9.234 529 2HB GLU 70 3HB GLU 70 12.235 0.053 -8.463 530 1HG GLU 70 2HG GLU 70 11.098 -0.344 -10.659 531 2HG GLU 70 3HG GLU 70 12.227 0.807 -11.371 532 H LEU 71 H LEU 71 9.434 -0.164 -9.303 533 HA LEU 71 HA LEU 71 8.307 0.031 -6.592 534 1HB LEU 71 2HB LEU 71 7.163 -0.449 -9.227 535 2HB LEU 71 3HB LEU 71 6.652 -1.640 -8.032 536 HG LEU 71 HG LEU 71 6.412 1.000 -6.932 537 1HD1 LEU 71 1HD1 LEU 71 4.801 0.583 -9.438 538 2HD1 LEU 71 2HD1 LEU 71 6.250 1.586 -9.372 539 3HD1 LEU 71 3HD1 LEU 71 4.842 2.004 -8.395 540 1HD2 LEU 71 1HD2 LEU 71 5.041 -0.499 -5.920 541 2HD2 LEU 71 2HD2 LEU 71 4.752 -1.408 -7.404 542 3HD2 LEU 71 3HD2 LEU 71 3.905 0.113 -7.122 543 H SER 72 H SER 72 8.974 -1.456 -5.206 544 HA SER 72 HA SER 72 10.406 -3.783 -6.027 545 1HB SER 72 2HB SER 72 11.197 -3.246 -3.970 546 2HB SER 72 3HB SER 72 9.684 -2.487 -3.478 547 HG SER 72 HG SER 72 10.202 -5.277 -3.585 548 H THR 73 H THR 73 7.099 -3.084 -5.288 549 HA THR 73 HA THR 73 6.354 -5.794 -6.028 550 HB THR 73 HB THR 73 5.308 -4.617 -3.450 551 HG1 THR 73 HG1 THR 73 7.281 -5.237 -2.838 552 1HG2 THR 73 1HG2 THR 73 4.443 -6.752 -5.135 553 2HG2 THR 73 2HG2 THR 73 3.758 -6.209 -3.603 554 3HG2 THR 73 3HG2 THR 73 5.029 -7.431 -3.617 555 H GLY 74 H GLY 74 4.495 -5.853 -7.169 556 1HA GLY 74 2HA GLY 74 2.301 -5.157 -7.733 557 2HA GLY 74 3HA GLY 74 2.619 -3.612 -6.958 558 H MET 75 H MET 75 4.968 -4.949 -9.128 559 HA MET 75 HA MET 75 4.070 -3.114 -11.246 560 1HB MET 75 2HB MET 75 5.889 -1.987 -10.183 561 2HB MET 75 3HB MET 75 6.861 -3.452 -10.151 562 1HG MET 75 2HG MET 75 7.321 -3.349 -12.424 563 2HG MET 75 3HG MET 75 5.969 -2.266 -12.745 564 1HE MET 75 1HE MET 75 7.465 1.057 -12.862 565 2HE MET 75 2HE MET 75 6.387 -0.167 -13.535 566 3HE MET 75 3HE MET 75 6.082 0.489 -11.926 567 HA PRO 76 HA PRO 76 4.571 -7.304 -13.051 568 1HB PRO 76 2HB PRO 76 2.544 -7.005 -14.832 569 2HB PRO 76 3HB PRO 76 2.286 -7.518 -13.160 570 1HG PRO 76 2HG PRO 76 1.960 -4.804 -14.380 571 2HG PRO 76 3HG PRO 76 0.908 -5.646 -13.227 572 1HD PRO 76 2HD PRO 76 2.660 -3.726 -12.468 573 2HD PRO 76 3HD PRO 76 2.235 -5.097 -11.424 574 H ARG 77 H ARG 77 6.209 -7.469 -14.439 575 HA ARG 77 HA ARG 77 6.249 -5.682 -16.782 576 1HB ARG 77 2HB ARG 77 8.361 -6.330 -14.821 577 2HB ARG 77 3HB ARG 77 8.863 -6.355 -16.507 578 1HG ARG 77 2HG ARG 77 8.547 -4.109 -16.781 579 2HG ARG 77 3HG ARG 77 7.308 -4.019 -15.528 580 1HD ARG 77 2HD ARG 77 8.825 -3.405 -14.027 581 2HD ARG 77 3HD ARG 77 9.773 -4.856 -14.353 582 HE ARG 77 HE ARG 77 11.205 -3.596 -15.621 583 1HH1 ARG 77 1HH1 ARG 77 8.280 -1.793 -15.063 584 2HH1 ARG 77 2HH1 ARG 77 8.904 -0.322 -15.733 585 1HH2 ARG 77 1HH2 ARG 77 12.038 -1.666 -16.506 586 2HH2 ARG 77 2HH2 ARG 77 11.041 -0.252 -16.555 587 H ARG 78 H ARG 78 7.900 -6.663 -18.465 588 HA ARG 78 HA ARG 78 6.874 -9.310 -19.078 589 1HB ARG 78 2HB ARG 78 7.923 -8.972 -21.273 590 2HB ARG 78 3HB ARG 78 6.877 -7.626 -20.842 591 1HG ARG 78 2HG ARG 78 8.590 -6.333 -21.431 592 2HG ARG 78 3HG ARG 78 9.308 -6.807 -19.890 593 1HD ARG 78 2HD ARG 78 10.917 -7.135 -21.654 594 2HD ARG 78 3HD ARG 78 10.407 -8.704 -21.030 595 HE ARG 78 HE ARG 78 8.778 -8.099 -23.203 596 1HH1 ARG 78 1HH1 ARG 78 12.139 -8.738 -22.558 597 2HH1 ARG 78 2HH1 ARG 78 12.446 -9.413 -24.124 598 1HH2 ARG 78 1HH2 ARG 78 9.170 -8.985 -25.268 599 2HH2 ARG 78 2HH2 ARG 78 10.756 -9.552 -25.665 600 H SER 79 H SER 79 9.542 -8.028 -17.519 601 HA SER 79 HA SER 79 11.591 -9.773 -18.406 602 1HB SER 79 2HB SER 79 11.220 -7.836 -16.211 603 2HB SER 79 3HB SER 79 12.357 -9.140 -15.870 604 HG SER 79 HG SER 79 13.535 -7.568 -16.849 605 H ARG 80 H ARG 80 12.664 -11.378 -16.927 606 HA ARG 80 HA ARG 80 10.702 -13.327 -16.117 607 1HB ARG 80 2HB ARG 80 13.719 -13.340 -16.175 608 2HB ARG 80 3HB ARG 80 12.772 -14.693 -15.569 609 1HG ARG 80 2HG ARG 80 11.939 -15.219 -17.661 610 2HG ARG 80 3HG ARG 80 12.258 -13.606 -18.303 611 1HD ARG 80 2HD ARG 80 14.726 -14.728 -17.455 612 2HD ARG 80 3HD ARG 80 13.889 -15.929 -18.437 613 HE ARG 80 HE ARG 80 15.031 -13.451 -19.332 614 1HH1 ARG 80 1HH1 ARG 80 12.634 -15.891 -19.981 615 2HH1 ARG 80 2HH1 ARG 80 12.563 -15.555 -21.679 616 1HH2 ARG 80 1HH2 ARG 80 14.946 -12.998 -21.566 617 2HH2 ARG 80 2HH2 ARG 80 13.879 -13.910 -22.579 618 H PHE 81 H PHE 81 10.218 -11.311 -14.487 619 HA PHE 81 HA PHE 81 11.732 -11.171 -12.115 620 1HB PHE 81 2HB PHE 81 9.808 -10.028 -11.157 621 2HB PHE 81 3HB PHE 81 10.086 -9.456 -12.798 622 HD1 PHE 81 HD1 PHE 81 8.491 -9.837 -14.532 623 HD2 PHE 81 HD2 PHE 81 7.904 -11.482 -10.651 624 HE1 PHE 81 HE1 PHE 81 6.158 -10.364 -15.112 625 HE2 PHE 81 HE2 PHE 81 5.571 -12.012 -11.224 626 HZ PHE 81 HZ PHE 81 4.695 -11.454 -13.458 627 H ASP 82 H ASP 82 11.728 -12.344 -10.282 628 HA ASP 82 HA ASP 82 10.201 -14.829 -10.291 629 1HB ASP 82 2HB ASP 82 12.767 -13.988 -9.271 630 2HB ASP 82 3HB ASP 82 11.809 -14.719 -7.985 631 H ARG 83 H ARG 83 10.597 -11.895 -8.383 632 HA ARG 83 HA ARG 83 8.916 -12.717 -6.238 633 1HB ARG 83 2HB ARG 83 10.611 -10.564 -6.752 634 2HB ARG 83 3HB ARG 83 9.012 -9.843 -6.635 635 1HG ARG 83 2HG ARG 83 9.670 -9.751 -4.454 636 2HG ARG 83 3HG ARG 83 8.852 -11.315 -4.471 637 1HD ARG 83 2HD ARG 83 10.848 -12.501 -4.438 638 2HD ARG 83 3HD ARG 83 11.782 -11.134 -5.044 639 HE ARG 83 HE ARG 83 10.744 -10.428 -2.553 640 1HH1 ARG 83 1HH1 ARG 83 13.013 -12.691 -3.915 641 2HH1 ARG 83 2HH1 ARG 83 13.998 -12.759 -2.491 642 1HH2 ARG 83 1HH2 ARG 83 12.033 -10.510 -0.673 643 2HH2 ARG 83 2HH2 ARG 83 13.439 -11.519 -0.647 644 HA PRO 84 HA PRO 84 5.036 -12.227 -8.339 645 1HB PRO 84 2HB PRO 84 3.461 -12.614 -6.162 646 2HB PRO 84 3HB PRO 84 4.280 -13.936 -7.002 647 1HG PRO 84 2HG PRO 84 5.074 -12.501 -4.497 648 2HG PRO 84 3HG PRO 84 5.119 -14.238 -4.854 649 1HD PRO 84 2HD PRO 84 7.324 -12.670 -4.968 650 2HD PRO 84 3HD PRO 84 7.093 -14.073 -6.031 651 HA PRO 85 HA PRO 85 4.611 -7.851 -7.314 652 1HB PRO 85 2HB PRO 85 3.202 -7.234 -9.551 653 2HB PRO 85 3HB PRO 85 4.961 -7.412 -9.543 654 1HG PRO 85 2HG PRO 85 2.862 -9.371 -10.392 655 2HG PRO 85 3HG PRO 85 4.403 -8.973 -11.174 656 1HD PRO 85 2HD PRO 85 4.075 -11.181 -9.642 657 2HD PRO 85 3HD PRO 85 5.619 -10.311 -9.744 658 H ALA 86 H ALA 86 2.964 -6.679 -6.418 659 HA ALA 86 HA ALA 86 0.606 -8.085 -5.637 660 1HB ALA 86 1HB ALA 86 1.791 -6.394 -4.232 661 2HB ALA 86 2HB ALA 86 1.169 -5.143 -5.309 662 3HB ALA 86 3HB ALA 86 0.052 -6.136 -4.372 663 H ARG 87 H ARG 87 -0.216 -8.555 -7.803 664 HA ARG 87 HA ARG 87 -1.750 -6.287 -8.894 665 1HB ARG 87 2HB ARG 87 -0.383 -8.550 -10.343 666 2HB ARG 87 3HB ARG 87 -1.634 -7.569 -11.093 667 1HG ARG 87 2HG ARG 87 0.927 -6.478 -9.949 668 2HG ARG 87 3HG ARG 87 0.665 -6.854 -11.653 669 1HD ARG 87 2HD ARG 87 -0.819 -4.822 -9.992 670 2HD ARG 87 3HD ARG 87 0.327 -4.494 -11.291 671 HE ARG 87 HE ARG 87 -1.599 -5.997 -12.482 672 1HH1 ARG 87 1HH1 ARG 87 -1.614 -3.064 -10.606 673 2HH1 ARG 87 2HH1 ARG 87 -3.009 -2.410 -11.399 674 1HH2 ARG 87 1HH2 ARG 87 -3.437 -5.146 -13.533 675 2HH2 ARG 87 2HH2 ARG 87 -4.046 -3.596 -13.062 676 H ARG 88 H ARG 88 -1.667 -9.855 -8.875 677 HA ARG 88 HA ARG 88 -3.328 -11.411 -8.797 678 1HB ARG 88 2HB ARG 88 -4.389 -9.246 -6.999 679 2HB ARG 88 3HB ARG 88 -5.294 -10.728 -7.272 680 1HG ARG 88 2HG ARG 88 -2.443 -10.881 -6.411 681 2HG ARG 88 3HG ARG 88 -3.702 -10.522 -5.228 682 1HD ARG 88 2HD ARG 88 -3.888 -12.868 -7.095 683 2HD ARG 88 3HD ARG 88 -3.045 -12.970 -5.550 684 HE ARG 88 HE ARG 88 -5.700 -11.933 -5.298 685 1HH1 ARG 88 1HH1 ARG 88 -3.811 -14.846 -5.560 686 2HH1 ARG 88 2HH1 ARG 88 -4.986 -15.835 -4.758 687 1HH2 ARG 88 1HH2 ARG 88 -7.254 -13.225 -4.239 688 2HH2 ARG 88 2HH2 ARG 88 -6.944 -14.912 -4.008 689 H LYS 89 H LYS 89 -3.805 -11.279 -11.032 690 HA LYS 89 HA LYS 89 -6.072 -9.600 -11.808 691 1HB LYS 89 2HB LYS 89 -5.476 -10.052 -14.073 692 2HB LYS 89 3HB LYS 89 -3.985 -9.698 -13.210 693 1HG LYS 89 2HG LYS 89 -3.780 -12.250 -12.951 694 2HG LYS 89 3HG LYS 89 -4.988 -12.324 -14.236 695 1HD LYS 89 2HD LYS 89 -2.500 -10.671 -14.527 696 2HD LYS 89 3HD LYS 89 -2.502 -12.397 -14.894 697 1HE LYS 89 2HE LYS 89 -4.774 -11.221 -16.131 698 2HE LYS 89 3HE LYS 89 -3.366 -10.233 -16.519 699 1HZ LYS 89 1HZ LYS 89 -4.101 -12.721 -17.591 700 2HZ LYS 89 2HZ LYS 89 -2.626 -12.908 -16.785 701 3HZ LYS 89 3HZ LYS 89 -2.782 -11.745 -18.005 702 H LEU 90 H LEU 90 -7.247 -11.005 -13.791 703 HA LEU 90 HA LEU 90 -7.841 -13.702 -13.139 704 1HB LEU 90 2HB LEU 90 -8.989 -12.306 -11.312 705 2HB LEU 90 3HB LEU 90 -10.107 -11.816 -12.583 706 HG LEU 90 HG LEU 90 -10.301 -14.461 -12.872 707 1HD1 LEU 90 1HD1 LEU 90 -9.495 -15.673 -11.202 708 2HD1 LEU 90 2HD1 LEU 90 -10.380 -14.704 -10.024 709 3HD1 LEU 90 3HD1 LEU 90 -8.762 -14.217 -10.530 710 1HD2 LEU 90 1HD2 LEU 90 -12.062 -12.710 -12.356 711 2HD2 LEU 90 2HD2 LEU 90 -11.771 -13.063 -10.653 712 3HD2 LEU 90 3HD2 LEU 90 -12.357 -14.332 -11.729 713 H LEU 91 H LEU 91 -7.531 -13.987 -15.344 714 HA LEU 91 HA LEU 91 -9.635 -12.854 -17.069 715 1HB LEU 91 2HB LEU 91 -6.980 -12.441 -17.354 716 2HB LEU 91 3HB LEU 91 -7.185 -13.891 -18.335 717 HG LEU 91 HG LEU 91 -7.296 -11.934 -19.738 718 1HD1 LEU 91 1HD1 LEU 91 -10.053 -13.093 -19.358 719 2HD1 LEU 91 2HD1 LEU 91 -8.749 -13.847 -20.273 720 3HD1 LEU 91 3HD1 LEU 91 -9.429 -12.312 -20.811 721 1HD2 LEU 91 1HD2 LEU 91 -8.228 -10.557 -17.692 722 2HD2 LEU 91 2HD2 LEU 91 -9.782 -10.961 -18.423 723 3HD2 LEU 91 3HD2 LEU 91 -8.571 -10.077 -19.354 724 H GLU 92 H GLU 92 -7.731 -15.695 -16.252 725 HA GLU 92 HA GLU 92 -8.879 -17.418 -18.194 726 1HB GLU 92 2HB GLU 92 -6.736 -17.644 -16.623 727 2HB GLU 92 3HB GLU 92 -7.878 -18.526 -15.619 728 1HG GLU 92 2HG GLU 92 -8.410 -19.892 -17.693 729 2HG GLU 92 3HG GLU 92 -6.972 -19.162 -18.406 730 H VAL 93 H VAL 93 -9.861 -16.348 -15.041 731 HA VAL 93 HA VAL 93 -11.980 -18.363 -14.906 732 HB VAL 93 HB VAL 93 -11.342 -16.234 -12.865 733 1HG1 VAL 93 1HG1 VAL 93 -12.420 -18.138 -11.419 734 2HG1 VAL 93 2HG1 VAL 93 -13.435 -17.000 -12.307 735 3HG1 VAL 93 3HG1 VAL 93 -13.137 -18.612 -12.959 736 1HG2 VAL 93 1HG2 VAL 93 -10.134 -18.920 -13.339 737 2HG2 VAL 93 2HG2 VAL 93 -9.365 -17.412 -12.843 738 3HG2 VAL 93 3HG2 VAL 93 -10.321 -18.337 -11.685 739 H LEU 94 H LEU 94 -14.178 -17.791 -14.674 740 HA LEU 94 HA LEU 94 -15.146 -15.144 -14.767 741 1HB LEU 94 2HB LEU 94 -14.145 -15.842 -17.175 742 2HB LEU 94 3HB LEU 94 -15.802 -16.417 -17.344 743 HG LEU 94 HG LEU 94 -15.666 -14.225 -18.282 744 1HD1 LEU 94 1HD1 LEU 94 -16.922 -13.840 -15.581 745 2HD1 LEU 94 2HD1 LEU 94 -17.638 -14.867 -16.822 746 3HD1 LEU 94 3HD1 LEU 94 -17.407 -13.146 -17.128 747 1HD2 LEU 94 1HD2 LEU 94 -14.210 -13.591 -15.754 748 2HD2 LEU 94 2HD2 LEU 94 -15.099 -12.319 -16.592 749 3HD2 LEU 94 3HD2 LEU 94 -13.802 -13.182 -17.420 750 H PHE 95 H PHE 95 -17.213 -15.138 -14.119 751 HA PHE 95 HA PHE 95 -19.001 -17.317 -14.754 752 1HB PHE 95 2HB PHE 95 -17.923 -16.881 -11.985 753 2HB PHE 95 3HB PHE 95 -19.536 -17.548 -12.220 754 HD1 PHE 95 HD1 PHE 95 -16.125 -18.309 -11.877 755 HD2 PHE 95 HD2 PHE 95 -19.671 -19.588 -13.854 756 HE1 PHE 95 HE1 PHE 95 -15.148 -20.547 -12.174 757 HE2 PHE 95 HE2 PHE 95 -18.700 -21.829 -14.154 758 HZ PHE 95 HZ PHE 95 -16.436 -22.311 -13.313 759 H ASN 96 H ASN 96 -20.217 -15.689 -15.753 760 HA ASN 96 HA ASN 96 -21.981 -14.271 -13.957 761 1HB ASN 96 2HB ASN 96 -20.165 -12.796 -15.870 762 2HB ASN 96 3HB ASN 96 -21.610 -12.081 -15.161 763 1HD2 ASN 96 1HD2 ASN 96 -18.328 -12.677 -14.778 764 2HD2 ASN 96 2HD2 ASN 96 -18.173 -12.189 -13.128 765 H GLY 97 H GLY 97 -22.550 -16.376 -15.616 766 1HA GLY 97 2HA GLY 97 -24.255 -16.960 -17.059 767 2HA GLY 97 3HA GLY 97 -24.625 -15.252 -17.243 768 HA PRO 98 HA PRO 98 -21.114 -16.194 -20.434 769 1HB PRO 98 2HB PRO 98 -20.428 -18.801 -20.755 770 2HB PRO 98 3HB PRO 98 -19.631 -17.734 -19.593 771 1HG PRO 98 2HG PRO 98 -21.789 -19.758 -19.136 772 2HG PRO 98 3HG PRO 98 -20.341 -19.429 -18.167 773 1HD PRO 98 2HD PRO 98 -22.791 -18.498 -17.488 774 2HD PRO 98 3HD PRO 98 -21.298 -17.609 -17.127 775 H LEU 99 H LEU 99 -23.703 -18.528 -19.976 776 HA LEU 99 HA LEU 99 -24.036 -18.895 -22.841 777 1HB LEU 99 2HB LEU 99 -24.702 -20.365 -20.495 778 2HB LEU 99 3HB LEU 99 -26.186 -20.033 -21.385 779 HG LEU 99 HG LEU 99 -23.909 -21.107 -22.944 780 1HD1 LEU 99 1HD1 LEU 99 -24.012 -23.278 -22.166 781 2HD1 LEU 99 2HD1 LEU 99 -25.559 -23.028 -21.358 782 3HD1 LEU 99 3HD1 LEU 99 -24.085 -22.346 -20.671 783 1HD2 LEU 99 1HD2 LEU 99 -26.557 -22.335 -23.100 784 2HD2 LEU 99 2HD2 LEU 99 -25.530 -21.680 -24.377 785 3HD2 LEU 99 3HD2 LEU 99 -26.552 -20.601 -23.425 786 H GLU 100 H GLU 100 -25.814 -18.227 -24.025 787 HA GLU 100 HA GLU 100 -27.247 -15.952 -22.890 788 1HB GLU 100 2HB GLU 100 -27.837 -15.389 -25.161 789 2HB GLU 100 3HB GLU 100 -26.114 -15.732 -25.088 790 1HG GLU 100 2HG GLU 100 -27.543 -18.134 -25.693 791 2HG GLU 100 3HG GLU 100 -28.030 -16.853 -26.802 792 H HIS 101 H HIS 101 -27.753 -19.084 -22.744 793 HA HIS 101 HA HIS 101 -29.558 -20.445 -22.485 794 1HB HIS 101 2HB HIS 101 -30.373 -18.905 -20.873 795 2HB HIS 101 3HB HIS 101 -30.850 -17.746 -22.111 796 HD1 HIS 101 HD1 HIS 101 -31.840 -21.184 -20.849 797 HD2 HIS 101 HD2 HIS 101 -33.446 -17.948 -22.901 798 HE1 HIS 101 HE1 HIS 101 -34.286 -21.703 -21.113 Start of MODEL 3 1 1H MET 1 H MET 1 0.662 2.262 -2.364 2 HA MET 1 HA MET 1 0.993 -0.479 -1.350 3 1HB MET 1 2HB MET 1 1.696 -1.249 -3.529 4 2HB MET 1 3HB MET 1 0.103 -0.516 -3.666 5 1HG MET 1 2HG MET 1 1.042 1.479 -4.611 6 2HG MET 1 3HG MET 1 2.678 0.885 -4.336 7 1HE MET 1 1HE MET 1 -0.626 0.427 -6.520 8 2HE MET 1 2HE MET 1 0.467 1.761 -6.887 9 3HE MET 1 3HE MET 1 0.274 0.437 -8.037 10 H LYS 2 H LYS 2 3.361 -1.129 -2.531 11 HA LYS 2 HA LYS 2 5.204 0.579 -1.079 12 1HB LYS 2 2HB LYS 2 5.559 -2.056 -2.511 13 2HB LYS 2 3HB LYS 2 6.876 -1.196 -1.724 14 1HG LYS 2 2HG LYS 2 6.350 -2.438 0.054 15 2HG LYS 2 3HG LYS 2 5.024 -1.293 0.267 16 1HD LYS 2 2HD LYS 2 3.727 -2.864 -1.329 17 2HD LYS 2 3HD LYS 2 4.976 -4.044 -0.922 18 1HE LYS 2 2HE LYS 2 4.062 -2.810 1.479 19 2HE LYS 2 3HE LYS 2 2.660 -3.345 0.553 20 1HZ LYS 2 1HZ LYS 2 4.311 -5.455 0.351 21 2HZ LYS 2 2HZ LYS 2 3.083 -5.308 1.504 22 3HZ LYS 2 3HZ LYS 2 4.675 -4.904 1.908 23 H VAL 3 H VAL 3 6.932 1.688 -1.965 24 HA VAL 3 HA VAL 3 7.062 1.825 -4.900 25 HB VAL 3 HB VAL 3 7.384 4.299 -3.229 26 1HG1 VAL 3 1HG1 VAL 3 6.388 5.087 -5.599 27 2HG1 VAL 3 2HG1 VAL 3 8.114 4.898 -5.282 28 3HG1 VAL 3 3HG1 VAL 3 7.220 3.613 -6.094 29 1HG2 VAL 3 1HG2 VAL 3 5.221 4.059 -2.641 30 2HG2 VAL 3 2HG2 VAL 3 4.919 4.629 -4.282 31 3HG2 VAL 3 3HG2 VAL 3 4.888 2.901 -3.930 32 H TYR 4 H TYR 4 9.085 2.298 -5.773 33 HA TYR 4 HA TYR 4 11.326 2.409 -3.871 34 1HB TYR 4 2HB TYR 4 11.829 0.304 -4.484 35 2HB TYR 4 3HB TYR 4 10.716 0.346 -5.847 36 HD1 TYR 4 HD1 TYR 4 11.509 0.640 -8.051 37 HD2 TYR 4 HD2 TYR 4 14.137 1.277 -4.767 38 HE1 TYR 4 HE1 TYR 4 13.411 0.767 -9.606 39 HE2 TYR 4 HE2 TYR 4 16.046 1.408 -6.312 40 HH TYR 4 HH TYR 4 15.612 0.966 -9.809 41 H VAL 5 H VAL 5 12.488 4.173 -4.201 42 HA VAL 5 HA VAL 5 12.656 5.264 -6.936 43 HB VAL 5 HB VAL 5 13.126 7.474 -5.785 44 1HG1 VAL 5 1HG1 VAL 5 11.058 7.423 -6.781 45 2HG1 VAL 5 2HG1 VAL 5 10.497 6.067 -5.801 46 3HG1 VAL 5 3HG1 VAL 5 10.605 7.681 -5.096 47 1HG2 VAL 5 1HG2 VAL 5 13.195 5.906 -3.511 48 2HG2 VAL 5 2HG2 VAL 5 13.128 7.668 -3.561 49 3HG2 VAL 5 3HG2 VAL 5 11.641 6.734 -3.401 50 H GLY 6 H GLY 6 14.573 4.564 -7.694 51 1HA GLY 6 2HA GLY 6 16.930 4.828 -5.941 52 2HA GLY 6 3HA GLY 6 16.815 3.734 -7.312 53 H ASN 7 H ASN 7 18.947 4.817 -7.744 54 HA ASN 7 HA ASN 7 20.215 6.168 -9.063 55 1HB ASN 7 2HB ASN 7 17.502 6.404 -10.254 56 2HB ASN 7 3HB ASN 7 18.692 7.608 -10.739 57 1HD2 ASN 7 1HD2 ASN 7 18.403 4.102 -10.285 58 2HD2 ASN 7 2HD2 ASN 7 19.315 3.674 -11.689 59 H LEU 8 H LEU 8 20.458 7.254 -6.880 60 HA LEU 8 HA LEU 8 19.548 10.050 -7.074 61 1HB LEU 8 2HB LEU 8 20.195 8.600 -4.519 62 2HB LEU 8 3HB LEU 8 19.455 10.189 -4.697 63 HG LEU 8 HG LEU 8 17.729 8.427 -6.010 64 1HD1 LEU 8 1HD1 LEU 8 17.449 6.544 -4.768 65 2HD1 LEU 8 2HD1 LEU 8 18.079 7.283 -3.296 66 3HD1 LEU 8 3HD1 LEU 8 19.188 6.753 -4.561 67 1HD2 LEU 8 1HD2 LEU 8 16.212 8.988 -4.171 68 2HD2 LEU 8 2HD2 LEU 8 17.089 10.406 -4.747 69 3HD2 LEU 8 3HD2 LEU 8 17.573 9.620 -3.244 70 H GLY 9 H GLY 9 21.250 11.154 -7.831 71 1HA GLY 9 2HA GLY 9 23.557 11.516 -6.232 72 2HA GLY 9 3HA GLY 9 23.939 10.466 -7.588 73 H THR 10 H THR 10 21.919 13.382 -7.239 74 HA THR 10 HA THR 10 23.692 15.007 -8.773 75 HB THR 10 HB THR 10 22.734 13.618 -10.591 76 HG1 THR 10 HG1 THR 10 23.189 15.495 -11.494 77 1HG2 THR 10 1HG2 THR 10 20.440 13.569 -9.273 78 2HG2 THR 10 2HG2 THR 10 20.492 13.438 -11.032 79 3HG2 THR 10 3HG2 THR 10 20.107 14.983 -10.272 80 H GLY 11 H GLY 11 22.328 15.179 -6.266 81 1HA GLY 11 2HA GLY 11 21.513 17.046 -5.120 82 2HA GLY 11 3HA GLY 11 21.056 17.763 -6.658 83 H ALA 12 H ALA 12 20.075 14.519 -6.149 84 HA ALA 12 HA ALA 12 17.387 15.409 -5.344 85 1HB ALA 12 1HB ALA 12 17.312 13.092 -7.075 86 2HB ALA 12 2HB ALA 12 16.430 14.615 -7.189 87 3HB ALA 12 3HB ALA 12 18.050 14.481 -7.872 88 H GLY 13 H GLY 13 17.222 14.627 -3.324 89 1HA GLY 13 2HA GLY 13 17.684 11.736 -2.968 90 2HA GLY 13 3HA GLY 13 18.286 12.889 -1.786 91 H LYS 14 H LYS 14 17.096 12.746 -0.009 92 HA LYS 14 HA LYS 14 14.480 11.742 0.118 93 1HB LYS 14 2HB LYS 14 16.372 12.235 1.959 94 2HB LYS 14 3HB LYS 14 15.357 13.648 2.220 95 1HG LYS 14 2HG LYS 14 13.484 12.315 2.778 96 2HG LYS 14 3HG LYS 14 14.278 10.843 2.212 97 1HD LYS 14 2HD LYS 14 16.027 11.286 4.008 98 2HD LYS 14 3HD LYS 14 14.902 12.480 4.658 99 1HE LYS 14 2HE LYS 14 13.273 10.839 5.122 100 2HE LYS 14 3HE LYS 14 14.093 9.634 4.130 101 1HZ LYS 14 1HZ LYS 14 15.678 10.686 6.305 102 2HZ LYS 14 2HZ LYS 14 15.468 9.088 5.793 103 3HZ LYS 14 3HZ LYS 14 14.315 9.813 6.796 104 H GLY 15 H GLY 15 15.679 15.089 0.160 105 1HA GLY 15 2HA GLY 15 13.201 16.359 0.487 106 2HA GLY 15 3HA GLY 15 14.620 17.081 -0.258 107 H GLU 16 H GLU 16 14.896 15.369 -2.463 108 HA GLU 16 HA GLU 16 13.102 16.561 -4.279 109 1HB GLU 16 2HB GLU 16 15.251 15.894 -5.073 110 2HB GLU 16 3HB GLU 16 15.002 14.235 -4.548 111 1HG GLU 16 2HG GLU 16 12.946 15.051 -6.392 112 2HG GLU 16 3HG GLU 16 14.551 15.289 -7.080 113 H LEU 17 H LEU 17 13.387 13.138 -3.311 114 HA LEU 17 HA LEU 17 11.055 12.272 -4.604 115 1HB LEU 17 2HB LEU 17 11.427 10.241 -3.626 116 2HB LEU 17 3HB LEU 17 13.030 10.962 -3.503 117 HG LEU 17 HG LEU 17 12.106 11.694 -1.124 118 1HD1 LEU 17 1HD1 LEU 17 10.367 9.428 -1.987 119 2HD1 LEU 17 2HD1 LEU 17 9.956 10.874 -1.065 120 3HD1 LEU 17 3HD1 LEU 17 10.855 9.565 -0.298 121 1HD2 LEU 17 1HD2 LEU 17 12.923 8.837 -1.383 122 2HD2 LEU 17 2HD2 LEU 17 13.457 10.062 -0.232 123 3HD2 LEU 17 3HD2 LEU 17 14.034 10.106 -1.899 124 H GLU 18 H GLU 18 11.562 13.796 -1.511 125 HA GLU 18 HA GLU 18 9.059 13.141 -0.353 126 1HB GLU 18 2HB GLU 18 10.862 13.877 1.061 127 2HB GLU 18 3HB GLU 18 10.991 15.397 0.188 128 1HG GLU 18 2HG GLU 18 9.229 16.326 1.256 129 2HG GLU 18 3HG GLU 18 8.374 14.793 1.413 130 H ARG 19 H ARG 19 10.210 16.164 -1.859 131 HA ARG 19 HA ARG 19 7.798 17.545 -1.789 132 1HB ARG 19 2HB ARG 19 9.939 17.744 -3.915 133 2HB ARG 19 3HB ARG 19 8.727 18.962 -3.542 134 1HG ARG 19 2HG ARG 19 10.448 18.105 -1.305 135 2HG ARG 19 3HG ARG 19 11.226 19.026 -2.593 136 1HD ARG 19 2HD ARG 19 8.775 19.864 -1.046 137 2HD ARG 19 3HD ARG 19 10.407 20.488 -0.812 138 HE ARG 19 HE ARG 19 9.490 20.798 -3.502 139 1HH1 ARG 19 1HH1 ARG 19 9.368 22.166 -0.303 140 2HH1 ARG 19 2HH1 ARG 19 9.036 23.773 -0.861 141 1HH2 ARG 19 1HH2 ARG 19 9.053 22.908 -4.249 142 2HH2 ARG 19 2HH2 ARG 19 8.856 24.193 -3.106 143 H ALA 20 H ALA 20 9.094 15.393 -4.290 144 HA ALA 20 HA ALA 20 7.013 15.741 -6.154 145 1HB ALA 20 1HB ALA 20 8.397 13.118 -5.978 146 2HB ALA 20 2HB ALA 20 8.035 14.116 -7.387 147 3HB ALA 20 3HB ALA 20 9.367 14.552 -6.317 148 H PHE 21 H PHE 21 7.592 12.886 -4.089 149 HA PHE 21 HA PHE 21 5.177 11.625 -4.496 150 1HB PHE 21 2HB PHE 21 7.112 11.635 -2.208 151 2HB PHE 21 3HB PHE 21 5.591 10.763 -2.055 152 HD1 PHE 21 HD1 PHE 21 5.781 8.515 -2.411 153 HD2 PHE 21 HD2 PHE 21 8.194 11.168 -4.703 154 HE1 PHE 21 HE1 PHE 21 6.762 6.594 -3.595 155 HE2 PHE 21 HE2 PHE 21 9.178 9.251 -5.891 156 HZ PHE 21 HZ PHE 21 8.462 6.961 -5.338 157 H SER 22 H SER 22 5.987 13.851 -1.833 158 HA SER 22 HA SER 22 3.537 13.894 -0.556 159 1HB SER 22 2HB SER 22 5.452 14.968 0.441 160 2HB SER 22 3HB SER 22 5.563 16.116 -0.893 161 HG SER 22 HG SER 22 4.355 16.580 1.283 162 H TYR 23 H TYR 23 4.653 15.951 -3.228 163 HA TYR 23 HA TYR 23 2.398 17.573 -3.449 164 1HB TYR 23 2HB TYR 23 4.634 16.800 -5.232 165 2HB TYR 23 3HB TYR 23 3.204 17.456 -6.020 166 HD1 TYR 23 HD1 TYR 23 3.884 19.578 -6.725 167 HD2 TYR 23 HD2 TYR 23 4.659 18.371 -2.720 168 HE1 TYR 23 HE1 TYR 23 4.632 21.859 -6.189 169 HE2 TYR 23 HE2 TYR 23 5.409 20.649 -2.172 170 HH TYR 23 HH TYR 23 4.829 23.096 -3.292 171 H TYR 24 H TYR 24 3.078 14.400 -4.837 172 HA TYR 24 HA TYR 24 0.704 14.302 -6.418 173 1HB TYR 24 2HB TYR 24 2.833 12.356 -5.642 174 2HB TYR 24 3HB TYR 24 1.322 11.732 -6.295 175 HD1 TYR 24 HD1 TYR 24 3.764 14.460 -7.081 176 HD2 TYR 24 HD2 TYR 24 1.297 11.324 -8.558 177 HE1 TYR 24 HE1 TYR 24 4.574 14.904 -9.361 178 HE2 TYR 24 HE2 TYR 24 2.102 11.758 -10.841 179 HH TYR 24 HH TYR 24 4.524 14.275 -11.488 180 H GLY 25 H GLY 25 1.618 13.109 -3.219 181 1HA GLY 25 2HA GLY 25 -1.074 13.142 -2.302 182 2HA GLY 25 3HA GLY 25 -0.560 11.497 -2.645 183 HA PRO 26 HA PRO 26 0.701 12.860 1.696 184 1HB PRO 26 2HB PRO 26 -0.868 11.111 3.055 185 2HB PRO 26 3HB PRO 26 -1.408 12.731 2.598 186 1HG PRO 26 2HG PRO 26 -1.958 10.106 1.269 187 2HG PRO 26 3HG PRO 26 -3.067 11.451 1.590 188 1HD PRO 26 2HD PRO 26 -1.949 11.033 -0.841 189 2HD PRO 26 3HD PRO 26 -2.333 12.656 -0.233 190 H LEU 27 H LEU 27 2.648 11.982 2.011 191 HA LEU 27 HA LEU 27 3.253 9.272 1.303 192 1HB LEU 27 2HB LEU 27 4.750 11.579 2.433 193 2HB LEU 27 3HB LEU 27 5.428 9.965 2.640 194 HG LEU 27 HG LEU 27 4.730 11.190 -0.027 195 1HD1 LEU 27 1HD1 LEU 27 7.468 10.916 0.116 196 2HD1 LEU 27 2HD1 LEU 27 7.035 11.549 1.703 197 3HD1 LEU 27 3HD1 LEU 27 6.563 12.424 0.247 198 1HD2 LEU 27 1HD2 LEU 27 4.732 8.926 -0.413 199 2HD2 LEU 27 2HD2 LEU 27 5.904 8.597 0.863 200 3HD2 LEU 27 3HD2 LEU 27 6.436 9.306 -0.662 201 H ARG 28 H ARG 28 3.310 7.506 2.557 202 HA ARG 28 HA ARG 28 2.303 7.715 5.264 203 1HB ARG 28 2HB ARG 28 1.416 5.962 3.839 204 2HB ARG 28 3HB ARG 28 3.031 5.321 3.570 205 1HG ARG 28 2HG ARG 28 1.760 3.983 5.173 206 2HG ARG 28 3HG ARG 28 3.204 4.690 5.900 207 1HD ARG 28 2HD ARG 28 0.981 6.482 6.185 208 2HD ARG 28 3HD ARG 28 0.547 4.885 6.795 209 HE ARG 28 HE ARG 28 2.364 6.740 7.981 210 1HH1 ARG 28 1HH1 ARG 28 1.671 3.352 7.579 211 2HH1 ARG 28 2HH1 ARG 28 2.471 2.881 9.042 212 1HH2 ARG 28 1HH2 ARG 28 3.420 6.133 9.909 213 2HH2 ARG 28 2HH2 ARG 28 3.464 4.464 10.368 214 H THR 29 H THR 29 5.177 6.302 3.700 215 HA THR 29 HA THR 29 6.875 7.143 5.852 216 HB THR 29 HB THR 29 7.619 4.558 6.030 217 HG1 THR 29 HG1 THR 29 5.896 3.219 5.921 218 1HG2 THR 29 1HG2 THR 29 6.756 6.400 7.757 219 2HG2 THR 29 2HG2 THR 29 6.963 4.707 8.209 220 3HG2 THR 29 3HG2 THR 29 5.362 5.322 7.799 221 H VAL 30 H VAL 30 8.607 7.819 4.787 222 HA VAL 30 HA VAL 30 9.553 6.238 2.484 223 HB VAL 30 HB VAL 30 10.437 8.234 1.495 224 1HG1 VAL 30 1HG1 VAL 30 8.454 8.754 0.634 225 2HG1 VAL 30 2HG1 VAL 30 7.712 7.784 1.908 226 3HG1 VAL 30 3HG1 VAL 30 7.940 9.519 2.137 227 1HG2 VAL 30 1HG2 VAL 30 9.704 10.446 2.793 228 2HG2 VAL 30 2HG2 VAL 30 9.920 9.377 4.179 229 3HG2 VAL 30 3HG2 VAL 30 11.258 9.657 3.064 230 H TRP 31 H TRP 31 11.889 6.292 2.104 231 HA TRP 31 HA TRP 31 13.695 7.174 4.109 232 1HB TRP 31 2HB TRP 31 14.438 4.962 4.916 233 2HB TRP 31 3HB TRP 31 12.770 5.302 5.368 234 HD1 TRP 31 HD1 TRP 31 10.901 4.157 3.515 235 HE1 TRP 31 HE1 TRP 31 10.959 1.764 2.568 236 HE3 TRP 31 HE3 TRP 31 15.828 3.074 4.345 237 HZ2 TRP 31 HZ2 TRP 31 12.843 -0.308 2.220 238 HZ3 TRP 31 HZ3 TRP 31 16.678 0.864 3.676 239 HH2 TRP 31 HH2 TRP 31 15.215 -0.791 2.636 240 H ILE 32 H ILE 32 15.754 7.217 3.345 241 HA ILE 32 HA ILE 32 16.183 6.027 0.687 242 HB ILE 32 HB ILE 32 17.577 8.382 1.967 243 1HG1 ILE 32 2HG1 ILE 32 15.275 8.097 0.118 244 2HG1 ILE 32 3HG1 ILE 32 15.613 9.346 1.311 245 1HG2 ILE 32 1HG2 ILE 32 18.702 8.669 -0.163 246 2HG2 ILE 32 2HG2 ILE 32 19.049 7.073 0.498 247 3HG2 ILE 32 3HG2 ILE 32 17.882 7.249 -0.811 248 1HD1 ILE 32 1HD1 ILE 32 15.697 10.359 -0.825 249 2HD1 ILE 32 2HD1 ILE 32 17.360 10.223 -0.255 250 3HD1 ILE 32 3HD1 ILE 32 16.745 9.091 -1.459 251 H ALA 33 H ALA 33 18.108 4.951 0.222 252 HA ALA 33 HA ALA 33 19.537 3.961 2.592 253 1HB ALA 33 1HB ALA 33 18.328 2.370 1.013 254 2HB ALA 33 2HB ALA 33 19.618 2.715 -0.140 255 3HB ALA 33 3HB ALA 33 20.001 1.982 1.418 256 H ARG 34 H ARG 34 21.329 5.106 2.966 257 HA ARG 34 HA ARG 34 22.795 6.408 0.873 258 1HB ARG 34 2HB ARG 34 22.587 6.674 3.655 259 2HB ARG 34 3HB ARG 34 24.251 6.186 3.362 260 1HG ARG 34 2HG ARG 34 23.523 8.204 1.479 261 2HG ARG 34 3HG ARG 34 23.117 8.747 3.108 262 1HD ARG 34 2HD ARG 34 25.755 7.454 2.729 263 2HD ARG 34 3HD ARG 34 25.542 9.062 2.038 264 HE ARG 34 HE ARG 34 25.857 8.423 4.786 265 1HH1 ARG 34 1HH1 ARG 34 24.217 10.601 2.621 266 2HH1 ARG 34 2HH1 ARG 34 24.093 11.876 3.788 267 1HH2 ARG 34 1HH2 ARG 34 25.701 10.093 6.331 268 2HH2 ARG 34 2HH2 ARG 34 24.939 11.586 5.898 269 H ASN 35 H ASN 35 22.956 3.361 2.497 270 HA ASN 35 HA ASN 35 25.585 2.618 2.298 271 1HB ASN 35 2HB ASN 35 23.059 1.273 2.541 272 2HB ASN 35 3HB ASN 35 24.092 0.374 1.433 273 1HD2 ASN 35 1HD2 ASN 35 24.962 -1.244 2.503 274 2HD2 ASN 35 2HD2 ASN 35 25.694 -1.152 4.066 275 HA PRO 36 HA PRO 36 24.948 1.175 -2.267 276 1HB PRO 36 2HB PRO 36 22.640 1.905 -3.497 277 2HB PRO 36 3HB PRO 36 22.808 0.401 -2.584 278 1HG PRO 36 2HG PRO 36 21.600 3.006 -1.738 279 2HG PRO 36 3HG PRO 36 21.008 1.357 -1.464 280 1HD PRO 36 2HD PRO 36 22.316 2.770 0.440 281 2HD PRO 36 3HD PRO 36 22.437 1.004 0.310 282 HA PRO 37 HA PRO 37 26.184 4.902 -4.246 283 1HB PRO 37 2HB PRO 37 25.735 4.392 -6.874 284 2HB PRO 37 3HB PRO 37 27.036 3.624 -5.955 285 1HG PRO 37 2HG PRO 37 24.335 2.551 -6.674 286 2HG PRO 37 3HG PRO 37 25.910 1.738 -6.719 287 1HD PRO 37 2HD PRO 37 24.141 1.378 -4.701 288 2HD PRO 37 3HD PRO 37 25.898 1.317 -4.453 289 H GLY 38 H GLY 38 22.930 3.804 -4.687 290 1HA GLY 38 2HA GLY 38 21.738 6.286 -4.448 291 2HA GLY 38 3HA GLY 38 21.962 6.034 -6.173 292 H PHE 39 H PHE 39 20.465 4.703 -3.268 293 HA PHE 39 HA PHE 39 18.248 3.751 -4.898 294 1HB PHE 39 2HB PHE 39 20.001 1.979 -3.215 295 2HB PHE 39 3HB PHE 39 18.318 1.560 -3.520 296 HD1 PHE 39 HD1 PHE 39 17.880 2.260 -6.267 297 HD2 PHE 39 HD2 PHE 39 21.339 0.576 -4.445 298 HE1 PHE 39 HE1 PHE 39 18.520 1.255 -8.419 299 HE2 PHE 39 HE2 PHE 39 21.985 -0.430 -6.595 300 HZ PHE 39 HZ PHE 39 20.576 -0.091 -8.586 301 H ALA 40 H ALA 40 16.412 4.362 -3.978 302 HA ALA 40 HA ALA 40 16.290 4.560 -1.044 303 1HB ALA 40 1HB ALA 40 16.124 6.705 -2.910 304 2HB ALA 40 2HB ALA 40 14.553 6.509 -2.130 305 3HB ALA 40 3HB ALA 40 16.000 6.755 -1.151 306 H PHE 41 H PHE 41 14.176 4.328 -0.129 307 HA PHE 41 HA PHE 41 12.238 3.020 -1.920 308 1HB PHE 41 2HB PHE 41 13.502 2.030 0.538 309 2HB PHE 41 3HB PHE 41 11.748 1.877 0.529 310 HD1 PHE 41 HD1 PHE 41 14.502 1.395 -1.949 311 HD2 PHE 41 HD2 PHE 41 11.003 -0.186 -0.111 312 HE1 PHE 41 HE1 PHE 41 14.692 -0.629 -3.336 313 HE2 PHE 41 HE2 PHE 41 11.188 -2.212 -1.494 314 HZ PHE 41 HZ PHE 41 13.035 -2.436 -3.109 315 H VAL 42 H VAL 42 10.058 3.369 -1.502 316 HA VAL 42 HA VAL 42 9.387 5.257 0.642 317 HB VAL 42 HB VAL 42 8.548 5.572 -2.243 318 1HG1 VAL 42 1HG1 VAL 42 6.683 6.400 -1.279 319 2HG1 VAL 42 2HG1 VAL 42 7.470 6.653 0.280 320 3HG1 VAL 42 3HG1 VAL 42 7.699 7.819 -1.025 321 1HG2 VAL 42 1HG2 VAL 42 10.887 6.309 -1.478 322 2HG2 VAL 42 2HG2 VAL 42 9.890 7.481 -2.340 323 3HG2 VAL 42 3HG2 VAL 42 10.044 7.576 -0.586 324 H GLU 43 H GLU 43 7.291 5.101 1.439 325 HA GLU 43 HA GLU 43 5.699 2.849 0.400 326 1HB GLU 43 2HB GLU 43 6.958 2.888 2.834 327 2HB GLU 43 3HB GLU 43 5.354 3.478 3.248 328 1HG GLU 43 2HG GLU 43 4.318 1.510 2.487 329 2HG GLU 43 3HG GLU 43 5.774 0.974 1.650 330 H PHE 44 H PHE 44 3.749 3.418 -0.275 331 HA PHE 44 HA PHE 44 2.618 5.960 0.671 332 1HB PHE 44 2HB PHE 44 2.794 4.709 -1.923 333 2HB PHE 44 3HB PHE 44 1.111 5.024 -1.513 334 HD1 PHE 44 HD1 PHE 44 1.020 7.484 -0.166 335 HD2 PHE 44 HD2 PHE 44 3.641 6.317 -3.309 336 HE1 PHE 44 HE1 PHE 44 1.307 9.845 -0.798 337 HE2 PHE 44 HE2 PHE 44 3.933 8.675 -3.946 338 HZ PHE 44 HZ PHE 44 2.766 10.443 -2.690 339 H GLU 45 H GLU 45 0.886 5.944 1.941 340 HA GLU 45 HA GLU 45 -0.211 3.701 3.093 341 1HB GLU 45 2HB GLU 45 -0.579 5.855 4.076 342 2HB GLU 45 3HB GLU 45 -1.429 6.426 2.646 343 1HG GLU 45 2HG GLU 45 -2.885 5.874 4.593 344 2HG GLU 45 3HG GLU 45 -3.298 5.041 3.095 345 H ASP 46 H ASP 46 -1.151 5.313 0.118 346 HA ASP 46 HA ASP 46 -3.074 3.136 -0.380 347 1HB ASP 46 2HB ASP 46 -4.379 4.711 -1.746 348 2HB ASP 46 3HB ASP 46 -4.241 5.265 -0.080 349 HA PRO 47 HA PRO 47 -0.737 2.099 -3.952 350 1HB PRO 47 2HB PRO 47 -2.687 1.029 -5.508 351 2HB PRO 47 3HB PRO 47 -2.036 0.208 -4.085 352 1HG PRO 47 2HG PRO 47 -4.555 1.800 -4.365 353 2HG PRO 47 3HG PRO 47 -4.292 0.261 -3.525 354 1HD PRO 47 2HD PRO 47 -4.414 2.631 -2.221 355 2HD PRO 47 3HD PRO 47 -3.398 1.286 -1.664 356 H ARG 48 H ARG 48 -3.825 3.749 -4.586 357 HA ARG 48 HA ARG 48 -3.410 4.564 -7.185 358 1HB ARG 48 2HB ARG 48 -5.528 4.907 -6.043 359 2HB ARG 48 3HB ARG 48 -4.782 6.063 -4.948 360 1HG ARG 48 2HG ARG 48 -4.433 7.621 -6.738 361 2HG ARG 48 3HG ARG 48 -4.993 6.442 -7.926 362 1HD ARG 48 2HD ARG 48 -6.747 8.044 -7.452 363 2HD ARG 48 3HD ARG 48 -7.208 6.448 -6.861 364 HE ARG 48 HE ARG 48 -6.015 7.761 -4.738 365 1HH1 ARG 48 1HH1 ARG 48 -8.798 8.190 -6.786 366 2HH1 ARG 48 2HH1 ARG 48 -9.730 9.000 -5.571 367 1HH2 ARG 48 1HH2 ARG 48 -7.232 8.828 -3.131 368 2HH2 ARG 48 2HH2 ARG 48 -8.838 9.364 -3.492 369 H ASP 49 H ASP 49 -2.443 6.250 -4.208 370 HA ASP 49 HA ASP 49 -1.242 8.457 -5.486 371 1HB ASP 49 2HB ASP 49 -1.165 7.282 -2.749 372 2HB ASP 49 3HB ASP 49 0.096 8.434 -3.181 373 H ALA 50 H ALA 50 -0.023 5.295 -4.555 374 HA ALA 50 HA ALA 50 2.722 5.851 -5.019 375 1HB ALA 50 1HB ALA 50 2.464 3.144 -5.406 376 2HB ALA 50 2HB ALA 50 2.735 3.944 -3.857 377 3HB ALA 50 3HB ALA 50 1.097 3.526 -4.358 378 H GLU 51 H GLU 51 0.143 4.485 -7.023 379 HA GLU 51 HA GLU 51 1.773 3.836 -9.239 380 1HB GLU 51 2HB GLU 51 -0.899 3.501 -8.551 381 2HB GLU 51 3HB GLU 51 -0.953 4.565 -9.950 382 1HG GLU 51 2HG GLU 51 0.251 2.981 -11.280 383 2HG GLU 51 3HG GLU 51 0.534 1.952 -9.877 384 H ASP 52 H ASP 52 -0.223 6.678 -8.505 385 HA ASP 52 HA ASP 52 0.345 8.050 -10.916 386 1HB ASP 52 2HB ASP 52 -1.310 8.458 -8.701 387 2HB ASP 52 3HB ASP 52 -0.200 9.826 -8.687 388 H ALA 53 H ALA 53 1.884 7.984 -7.753 389 HA ALA 53 HA ALA 53 3.635 10.164 -8.157 390 1HB ALA 53 1HB ALA 53 3.523 9.631 -5.943 391 2HB ALA 53 2HB ALA 53 3.484 7.894 -6.248 392 3HB ALA 53 3HB ALA 53 5.006 8.776 -6.371 393 H VAL 54 H VAL 54 4.044 6.668 -8.632 394 HA VAL 54 HA VAL 54 6.740 6.783 -9.462 395 HB VAL 54 HB VAL 54 4.634 4.715 -10.107 396 1HG1 VAL 54 1HG1 VAL 54 7.080 3.460 -10.110 397 2HG1 VAL 54 2HG1 VAL 54 6.161 3.931 -11.540 398 3HG1 VAL 54 3HG1 VAL 54 7.421 4.993 -10.911 399 1HG2 VAL 54 1HG2 VAL 54 5.849 5.381 -7.668 400 2HG2 VAL 54 2HG2 VAL 54 4.879 3.954 -8.033 401 3HG2 VAL 54 3HG2 VAL 54 6.632 3.898 -8.214 402 H ARG 55 H ARG 55 3.775 6.345 -11.402 403 HA ARG 55 HA ARG 55 4.979 6.507 -13.909 404 1HB ARG 55 2HB ARG 55 2.227 6.852 -12.857 405 2HB ARG 55 3HB ARG 55 2.547 7.512 -14.456 406 1HG ARG 55 2HG ARG 55 3.068 5.410 -15.344 407 2HG ARG 55 3HG ARG 55 3.261 4.688 -13.745 408 1HD ARG 55 2HD ARG 55 0.822 5.111 -13.361 409 2HD ARG 55 3HD ARG 55 0.702 5.596 -15.052 410 HE ARG 55 HE ARG 55 1.866 3.107 -15.080 411 1HH1 ARG 55 1HH1 ARG 55 -1.112 4.479 -13.911 412 2HH1 ARG 55 2HH1 ARG 55 -2.021 3.021 -14.130 413 1HH2 ARG 55 1HH2 ARG 55 0.680 1.181 -15.373 414 2HH2 ARG 55 2HH2 ARG 55 -1.001 1.145 -14.960 415 H GLY 56 H GLY 56 3.790 9.051 -11.774 416 1HA GLY 56 2HA GLY 56 4.029 11.184 -13.621 417 2HA GLY 56 3HA GLY 56 3.974 11.339 -11.871 418 H LEU 57 H LEU 57 6.134 10.415 -10.843 419 HA LEU 57 HA LEU 57 8.166 12.209 -11.537 420 1HB LEU 57 2HB LEU 57 7.961 9.829 -9.769 421 2HB LEU 57 3HB LEU 57 9.570 10.437 -10.153 422 HG LEU 57 HG LEU 57 9.001 12.600 -9.188 423 1HD1 LEU 57 1HD1 LEU 57 6.299 11.437 -9.194 424 2HD1 LEU 57 2HD1 LEU 57 6.817 13.116 -9.334 425 3HD1 LEU 57 3HD1 LEU 57 6.734 12.349 -7.748 426 1HD2 LEU 57 1HD2 LEU 57 8.132 11.200 -6.886 427 2HD2 LEU 57 2HD2 LEU 57 9.760 11.748 -7.287 428 3HD2 LEU 57 3HD2 LEU 57 9.225 10.139 -7.777 429 H ASP 58 H ASP 58 8.021 8.683 -12.039 430 HA ASP 58 HA ASP 58 10.415 8.452 -13.470 431 1HB ASP 58 2HB ASP 58 8.916 6.603 -12.481 432 2HB ASP 58 3HB ASP 58 8.018 6.708 -13.993 433 H GLY 59 H GLY 59 7.158 9.269 -14.517 434 1HA GLY 59 2HA GLY 59 7.831 9.163 -17.322 435 2HA GLY 59 3HA GLY 59 6.319 9.731 -16.630 436 H LYS 60 H LYS 60 8.144 11.477 -14.829 437 HA LYS 60 HA LYS 60 9.146 13.424 -16.725 438 1HB LYS 60 2HB LYS 60 6.724 13.936 -16.575 439 2HB LYS 60 3HB LYS 60 6.896 14.147 -14.837 440 1HG LYS 60 2HG LYS 60 6.920 16.312 -15.711 441 2HG LYS 60 3HG LYS 60 8.615 15.942 -15.387 442 1HD LYS 60 2HD LYS 60 8.535 15.099 -17.894 443 2HD LYS 60 3HD LYS 60 7.190 16.239 -17.983 444 1HE LYS 60 2HE LYS 60 9.231 17.574 -16.608 445 2HE LYS 60 3HE LYS 60 10.025 16.745 -17.946 446 1HZ LYS 60 1HZ LYS 60 9.069 19.087 -18.321 447 2HZ LYS 60 2HZ LYS 60 7.571 18.307 -18.414 448 3HZ LYS 60 3HZ LYS 60 8.802 17.905 -19.502 449 H VAL 61 H VAL 61 11.045 13.997 -15.919 450 HA VAL 61 HA VAL 61 12.039 13.456 -13.419 451 HB VAL 61 HB VAL 61 13.817 14.995 -13.848 452 1HG1 VAL 61 1HG1 VAL 61 14.568 14.266 -15.979 453 2HG1 VAL 61 2HG1 VAL 61 13.579 12.964 -15.317 454 3HG1 VAL 61 3HG1 VAL 61 12.918 14.032 -16.555 455 1HG2 VAL 61 1HG2 VAL 61 12.748 17.017 -14.367 456 2HG2 VAL 61 2HG2 VAL 61 13.605 16.576 -15.844 457 3HG2 VAL 61 3HG2 VAL 61 11.867 16.305 -15.719 458 H ILE 62 H ILE 62 12.606 14.895 -11.635 459 HA ILE 62 HA ILE 62 10.570 16.982 -11.198 460 HB ILE 62 HB ILE 62 10.047 15.126 -9.767 461 1HG1 ILE 62 2HG1 ILE 62 10.222 16.187 -7.563 462 2HG1 ILE 62 3HG1 ILE 62 11.477 17.262 -8.169 463 1HG2 ILE 62 1HG2 ILE 62 11.573 14.062 -8.302 464 2HG2 ILE 62 2HG2 ILE 62 12.371 14.154 -9.871 465 3HG2 ILE 62 3HG2 ILE 62 12.811 15.284 -8.591 466 1HD1 ILE 62 1HD1 ILE 62 8.719 17.193 -9.344 467 2HD1 ILE 62 2HD1 ILE 62 9.148 18.218 -7.974 468 3HD1 ILE 62 3HD1 ILE 62 9.960 18.432 -9.525 469 H CYS 63 H CYS 63 11.466 18.926 -11.155 470 HA CYS 63 HA CYS 63 12.991 20.605 -10.921 471 1HB CYS 63 2HB CYS 63 12.372 19.901 -8.511 472 2HB CYS 63 3HB CYS 63 13.973 19.173 -8.465 473 HG CYS 63 HG CYS 63 15.223 21.683 -9.127 474 H GLY 64 H GLY 64 13.866 18.646 -12.668 475 1HA GLY 64 2HA GLY 64 15.812 18.199 -13.828 476 2HA GLY 64 3HA GLY 64 16.693 19.117 -12.617 477 H SER 65 H SER 65 14.619 16.399 -11.851 478 HA SER 65 HA SER 65 17.014 14.788 -11.265 479 1HB SER 65 2HB SER 65 14.521 14.929 -9.554 480 2HB SER 65 3HB SER 65 15.970 13.982 -9.218 481 HG SER 65 HG SER 65 15.895 16.812 -9.437 482 H ARG 66 H ARG 66 16.876 13.419 -12.985 483 HA ARG 66 HA ARG 66 14.354 12.158 -13.665 484 1HB ARG 66 2HB ARG 66 15.613 11.103 -15.483 485 2HB ARG 66 3HB ARG 66 15.869 12.843 -15.459 486 1HG ARG 66 2HG ARG 66 17.959 12.135 -13.991 487 2HG ARG 66 3HG ARG 66 17.761 10.635 -14.899 488 1HD ARG 66 2HD ARG 66 17.513 12.855 -16.680 489 2HD ARG 66 3HD ARG 66 18.989 13.037 -15.733 490 HE ARG 66 HE ARG 66 18.497 11.124 -17.793 491 1HH1 ARG 66 1HH1 ARG 66 20.223 11.668 -14.820 492 2HH1 ARG 66 2HH1 ARG 66 21.478 10.531 -15.188 493 1HH2 ARG 66 1HH2 ARG 66 20.143 9.625 -18.290 494 2HH2 ARG 66 2HH2 ARG 66 21.432 9.370 -17.162 495 H VAL 67 H VAL 67 14.851 11.466 -11.137 496 HA VAL 67 HA VAL 67 16.452 9.228 -10.656 497 HB VAL 67 HB VAL 67 14.860 8.759 -8.758 498 1HG1 VAL 67 1HG1 VAL 67 16.833 10.539 -8.930 499 2HG1 VAL 67 2HG1 VAL 67 15.500 11.648 -8.605 500 3HG1 VAL 67 3HG1 VAL 67 15.859 10.344 -7.473 501 1HG2 VAL 67 1HG2 VAL 67 13.508 11.273 -9.730 502 2HG2 VAL 67 2HG2 VAL 67 12.843 9.648 -9.887 503 3HG2 VAL 67 3HG2 VAL 67 13.101 10.344 -8.288 504 H ARG 68 H ARG 68 15.525 7.036 -10.013 505 HA ARG 68 HA ARG 68 13.736 6.127 -12.166 506 1HB ARG 68 2HB ARG 68 16.034 4.835 -10.740 507 2HB ARG 68 3HB ARG 68 14.790 3.835 -11.479 508 1HG ARG 68 2HG ARG 68 15.273 5.354 -13.570 509 2HG ARG 68 3HG ARG 68 16.819 5.590 -12.753 510 1HD ARG 68 2HD ARG 68 17.021 3.746 -14.280 511 2HD ARG 68 3HD ARG 68 17.075 3.128 -12.629 512 HE ARG 68 HE ARG 68 14.438 2.969 -13.401 513 1HH1 ARG 68 1HH1 ARG 68 17.479 1.691 -14.515 514 2HH1 ARG 68 2HH1 ARG 68 16.782 0.243 -15.163 515 1HH2 ARG 68 1HH2 ARG 68 13.509 1.067 -14.251 516 2HH2 ARG 68 2HH2 ARG 68 14.523 -0.110 -15.013 517 H VAL 69 H VAL 69 11.716 5.934 -11.445 518 HA VAL 69 HA VAL 69 11.278 4.848 -8.744 519 HB VAL 69 HB VAL 69 9.202 6.258 -10.407 520 1HG1 VAL 69 1HG1 VAL 69 8.286 5.003 -8.592 521 2HG1 VAL 69 2HG1 VAL 69 9.482 5.653 -7.468 522 3HG1 VAL 69 3HG1 VAL 69 8.240 6.708 -8.145 523 1HG2 VAL 69 1HG2 VAL 69 9.904 8.133 -8.609 524 2HG2 VAL 69 2HG2 VAL 69 11.475 7.385 -8.902 525 3HG2 VAL 69 3HG2 VAL 69 10.556 8.061 -10.247 526 H GLU 70 H GLU 70 9.985 3.081 -8.427 527 HA GLU 70 HA GLU 70 8.467 1.931 -10.596 528 1HB GLU 70 2HB GLU 70 11.154 1.073 -10.119 529 2HB GLU 70 3HB GLU 70 10.061 -0.230 -9.674 530 1HG GLU 70 2HG GLU 70 8.963 0.342 -11.992 531 2HG GLU 70 3HG GLU 70 10.561 1.006 -12.329 532 H LEU 71 H LEU 71 7.357 -0.105 -9.889 533 HA LEU 71 HA LEU 71 6.705 0.089 -7.027 534 1HB LEU 71 2HB LEU 71 5.075 -0.895 -9.361 535 2HB LEU 71 3HB LEU 71 4.569 -1.029 -7.678 536 HG LEU 71 HG LEU 71 5.094 1.578 -9.102 537 1HD1 LEU 71 1HD1 LEU 71 2.757 -0.175 -9.041 538 2HD1 LEU 71 2HD1 LEU 71 3.152 1.157 -10.127 539 3HD1 LEU 71 3HD1 LEU 71 2.422 1.488 -8.556 540 1HD2 LEU 71 1HD2 LEU 71 4.288 0.812 -6.345 541 2HD2 LEU 71 2HD2 LEU 71 3.568 2.257 -7.055 542 3HD2 LEU 71 3HD2 LEU 71 5.321 2.130 -6.898 543 H SER 72 H SER 72 7.680 -1.431 -5.866 544 HA SER 72 HA SER 72 8.605 -3.890 -6.993 545 1HB SER 72 2HB SER 72 9.987 -3.255 -5.264 546 2HB SER 72 3HB SER 72 8.659 -2.615 -4.296 547 HG SER 72 HG SER 72 9.694 -5.173 -4.417 548 H THR 73 H THR 73 5.731 -2.856 -5.369 549 HA THR 73 HA THR 73 4.546 -5.477 -5.780 550 HB THR 73 HB THR 73 4.431 -4.197 -3.045 551 HG1 THR 73 HG1 THR 73 5.802 -6.586 -3.749 552 1HG2 THR 73 1HG2 THR 73 2.735 -5.592 -2.677 553 2HG2 THR 73 2HG2 THR 73 3.785 -6.960 -3.051 554 3HG2 THR 73 3HG2 THR 73 2.852 -6.187 -4.333 555 H GLY 74 H GLY 74 2.418 -5.366 -6.283 556 1HA GLY 74 2HA GLY 74 0.238 -4.435 -6.192 557 2HA GLY 74 3HA GLY 74 0.938 -2.915 -5.653 558 H MET 75 H MET 75 2.335 -4.601 -8.345 559 HA MET 75 HA MET 75 1.111 -2.641 -10.175 560 1HB MET 75 2HB MET 75 3.277 -2.748 -11.457 561 2HB MET 75 3HB MET 75 3.377 -1.964 -9.886 562 1HG MET 75 2HG MET 75 4.775 -3.505 -9.061 563 2HG MET 75 3HG MET 75 3.940 -4.837 -9.855 564 1HE MET 75 1HE MET 75 5.077 -1.675 -11.732 565 2HE MET 75 2HE MET 75 6.405 -1.765 -10.575 566 3HE MET 75 3HE MET 75 6.704 -2.070 -12.287 567 HA PRO 76 HA PRO 76 0.018 -6.805 -11.758 568 1HB PRO 76 2HB PRO 76 -2.366 -6.014 -12.787 569 2HB PRO 76 3HB PRO 76 -2.155 -6.471 -11.092 570 1HG PRO 76 2HG PRO 76 -2.250 -3.743 -12.320 571 2HG PRO 76 3HG PRO 76 -3.013 -4.326 -10.829 572 1HD PRO 76 2HD PRO 76 -0.721 -2.883 -10.825 573 2HD PRO 76 3HD PRO 76 -1.068 -4.128 -9.608 574 H ARG 77 H ARG 77 1.020 -7.330 -13.592 575 HA ARG 77 HA ARG 77 0.748 -5.528 -15.908 576 1HB ARG 77 2HB ARG 77 3.089 -6.479 -14.639 577 2HB ARG 77 3HB ARG 77 2.977 -7.315 -16.182 578 1HG ARG 77 2HG ARG 77 4.266 -5.348 -16.514 579 2HG ARG 77 3HG ARG 77 2.696 -5.091 -17.279 580 1HD ARG 77 2HD ARG 77 1.957 -3.834 -15.303 581 2HD ARG 77 3HD ARG 77 3.541 -4.074 -14.568 582 HE ARG 77 HE ARG 77 4.000 -2.888 -17.018 583 1HH1 ARG 77 1HH1 ARG 77 2.294 -2.105 -14.085 584 2HH1 ARG 77 2HH1 ARG 77 2.520 -0.395 -14.256 585 1HH2 ARG 77 1HH2 ARG 77 4.304 -0.639 -17.254 586 2HH2 ARG 77 2HH2 ARG 77 3.663 0.437 -16.059 587 H ARG 78 H ARG 78 1.236 -6.796 -18.024 588 HA ARG 78 HA ARG 78 -0.611 -9.049 -18.061 589 1HB ARG 78 2HB ARG 78 -0.652 -8.764 -20.460 590 2HB ARG 78 3HB ARG 78 -0.864 -7.196 -19.692 591 1HG ARG 78 2HG ARG 78 1.923 -7.741 -20.208 592 2HG ARG 78 3HG ARG 78 0.955 -7.857 -21.679 593 1HD ARG 78 2HD ARG 78 0.874 -5.530 -19.764 594 2HD ARG 78 3HD ARG 78 1.857 -5.579 -21.227 595 HE ARG 78 HE ARG 78 -0.881 -6.119 -21.784 596 1HH1 ARG 78 1HH1 ARG 78 1.372 -3.554 -21.105 597 2HH1 ARG 78 2HH1 ARG 78 0.450 -2.347 -21.940 598 1HH2 ARG 78 1HH2 ARG 78 -2.103 -4.540 -22.887 599 2HH2 ARG 78 2HH2 ARG 78 -1.526 -2.909 -22.952 600 H SER 79 H SER 79 2.693 -8.547 -17.854 601 HA SER 79 HA SER 79 3.669 -10.651 -19.484 602 1HB SER 79 2HB SER 79 4.879 -8.622 -18.229 603 2HB SER 79 3HB SER 79 5.167 -9.881 -17.028 604 HG SER 79 HG SER 79 6.192 -9.593 -19.585 605 H ARG 80 H ARG 80 5.141 -12.367 -18.197 606 HA ARG 80 HA ARG 80 3.227 -14.052 -16.842 607 1HB ARG 80 2HB ARG 80 6.142 -14.566 -17.460 608 2HB ARG 80 3HB ARG 80 4.960 -15.764 -16.949 609 1HG ARG 80 2HG ARG 80 3.684 -15.332 -19.021 610 2HG ARG 80 3HG ARG 80 4.960 -14.229 -19.538 611 1HD ARG 80 2HD ARG 80 6.573 -16.040 -19.510 612 2HD ARG 80 3HD ARG 80 5.348 -17.150 -18.897 613 HE ARG 80 HE ARG 80 4.571 -15.947 -21.365 614 1HH1 ARG 80 1HH1 ARG 80 6.523 -18.465 -19.962 615 2HH1 ARG 80 2HH1 ARG 80 6.479 -19.466 -21.376 616 1HH2 ARG 80 1HH2 ARG 80 4.506 -17.255 -23.232 617 2HH2 ARG 80 2HH2 ARG 80 5.333 -18.776 -23.235 618 H PHE 81 H PHE 81 3.555 -11.906 -15.262 619 HA PHE 81 HA PHE 81 5.637 -12.086 -13.360 620 1HB PHE 81 2HB PHE 81 3.018 -10.665 -13.518 621 2HB PHE 81 3HB PHE 81 3.806 -10.781 -11.948 622 HD1 PHE 81 HD1 PHE 81 3.854 -9.238 -15.224 623 HD2 PHE 81 HD2 PHE 81 6.018 -9.757 -11.595 624 HE1 PHE 81 HE1 PHE 81 5.285 -7.324 -15.808 625 HE2 PHE 81 HE2 PHE 81 7.452 -7.843 -12.173 626 HZ PHE 81 HZ PHE 81 7.086 -6.623 -14.281 627 H ASP 82 H ASP 82 5.963 -13.632 -11.919 628 HA ASP 82 HA ASP 82 3.794 -15.414 -11.166 629 1HB ASP 82 2HB ASP 82 6.676 -15.588 -11.323 630 2HB ASP 82 3HB ASP 82 6.106 -16.130 -9.746 631 H ARG 83 H ARG 83 5.698 -12.836 -9.815 632 HA ARG 83 HA ARG 83 5.072 -13.340 -7.082 633 1HB ARG 83 2HB ARG 83 6.879 -11.758 -8.314 634 2HB ARG 83 3HB ARG 83 5.650 -10.562 -7.927 635 1HG ARG 83 2HG ARG 83 7.255 -10.601 -6.162 636 2HG ARG 83 3HG ARG 83 5.752 -11.305 -5.561 637 1HD ARG 83 2HD ARG 83 6.764 -13.230 -5.093 638 2HD ARG 83 3HD ARG 83 7.434 -13.333 -6.721 639 HE ARG 83 HE ARG 83 8.959 -11.479 -5.329 640 1HH1 ARG 83 1HH1 ARG 83 8.207 -14.873 -5.149 641 2HH1 ARG 83 2HH1 ARG 83 9.724 -15.305 -4.432 642 1HH2 ARG 83 1HH2 ARG 83 10.960 -12.034 -4.385 643 2HH2 ARG 83 2HH2 ARG 83 11.289 -13.689 -3.997 644 HA PRO 84 HA PRO 84 0.872 -11.906 -7.198 645 1HB PRO 84 2HB PRO 84 0.444 -12.000 -4.519 646 2HB PRO 84 3HB PRO 84 0.472 -13.444 -5.539 647 1HG PRO 84 2HG PRO 84 2.627 -12.316 -3.793 648 2HG PRO 84 3HG PRO 84 2.122 -14.004 -3.999 649 1HD PRO 84 2HD PRO 84 4.304 -12.975 -5.229 650 2HD PRO 84 3HD PRO 84 3.309 -14.251 -5.959 651 HA PRO 85 HA PRO 85 1.944 -7.587 -6.421 652 1HB PRO 85 2HB PRO 85 -0.155 -6.583 -7.821 653 2HB PRO 85 3HB PRO 85 1.327 -7.160 -8.593 654 1HG PRO 85 2HG PRO 85 -1.301 -8.554 -8.258 655 2HG PRO 85 3HG PRO 85 -0.241 -8.492 -9.678 656 1HD PRO 85 2HD PRO 85 -0.312 -10.620 -8.006 657 2HD PRO 85 3HD PRO 85 1.165 -10.123 -8.857 658 H ALA 86 H ALA 86 1.077 -5.977 -5.109 659 HA ALA 86 HA ALA 86 -0.853 -6.865 -3.178 660 1HB ALA 86 1HB ALA 86 0.767 -5.603 -2.160 661 2HB ALA 86 2HB ALA 86 0.876 -4.461 -3.500 662 3HB ALA 86 3HB ALA 86 -0.492 -4.389 -2.389 663 H ARG 87 H ARG 87 -2.366 -7.041 -5.239 664 HA ARG 87 HA ARG 87 -3.887 -4.529 -5.464 665 1HB ARG 87 2HB ARG 87 -3.780 -6.896 -7.343 666 2HB ARG 87 3HB ARG 87 -4.819 -5.493 -7.554 667 1HG ARG 87 2HG ARG 87 -1.818 -5.344 -7.426 668 2HG ARG 87 3HG ARG 87 -2.738 -5.477 -8.926 669 1HD ARG 87 2HD ARG 87 -3.273 -3.305 -6.923 670 2HD ARG 87 3HD ARG 87 -2.031 -3.139 -8.164 671 HE ARG 87 HE ARG 87 -4.469 -3.911 -9.350 672 1HH1 ARG 87 1HH1 ARG 87 -2.935 -1.179 -7.833 673 2HH1 ARG 87 2HH1 ARG 87 -3.870 -0.007 -8.701 674 1HH2 ARG 87 1HH2 ARG 87 -5.706 -2.378 -10.499 675 2HH2 ARG 87 2HH2 ARG 87 -5.446 -0.689 -10.216 676 H ARG 88 H ARG 88 -4.103 -7.987 -4.859 677 HA ARG 88 HA ARG 88 -5.726 -9.292 -3.943 678 1HB ARG 88 2HB ARG 88 -6.333 -6.610 -2.729 679 2HB ARG 88 3HB ARG 88 -7.337 -8.009 -2.372 680 1HG ARG 88 2HG ARG 88 -4.403 -8.299 -2.052 681 2HG ARG 88 3HG ARG 88 -5.278 -7.332 -0.863 682 1HD ARG 88 2HD ARG 88 -6.880 -9.316 -0.695 683 2HD ARG 88 3HD ARG 88 -5.644 -10.231 -1.558 684 HE ARG 88 HE ARG 88 -4.513 -8.908 0.671 685 1HH1 ARG 88 1HH1 ARG 88 -6.550 -11.603 -0.170 686 2HH1 ARG 88 2HH1 ARG 88 -6.128 -12.527 1.233 687 1HH2 ARG 88 1HH2 ARG 88 -3.949 -10.116 2.522 688 2HH2 ARG 88 2HH2 ARG 88 -4.648 -11.680 2.764 689 H LYS 89 H LYS 89 -8.305 -9.290 -3.571 690 HA LYS 89 HA LYS 89 -10.347 -9.399 -4.567 691 1HB LYS 89 2HB LYS 89 -11.138 -7.373 -5.085 692 2HB LYS 89 3HB LYS 89 -9.500 -6.763 -4.895 693 1HG LYS 89 2HG LYS 89 -9.124 -7.298 -7.316 694 2HG LYS 89 3HG LYS 89 -10.853 -7.632 -7.435 695 1HD LYS 89 2HD LYS 89 -10.617 -5.149 -6.140 696 2HD LYS 89 3HD LYS 89 -9.480 -5.111 -7.489 697 1HE LYS 89 2HE LYS 89 -11.337 -5.900 -8.966 698 2HE LYS 89 3HE LYS 89 -12.434 -5.702 -7.601 699 1HZ LYS 89 1HZ LYS 89 -11.003 -3.335 -7.842 700 2HZ LYS 89 2HZ LYS 89 -12.643 -3.587 -8.170 701 3HZ LYS 89 3HZ LYS 89 -11.499 -3.750 -9.405 702 H LEU 90 H LEU 90 -11.439 -9.907 -6.612 703 HA LEU 90 HA LEU 90 -9.946 -10.252 -9.013 704 1HB LEU 90 2HB LEU 90 -9.202 -12.123 -7.368 705 2HB LEU 90 3HB LEU 90 -10.763 -12.843 -7.761 706 HG LEU 90 HG LEU 90 -10.049 -12.759 -10.186 707 1HD1 LEU 90 1HD1 LEU 90 -7.923 -12.223 -10.813 708 2HD1 LEU 90 2HD1 LEU 90 -7.236 -12.614 -9.237 709 3HD1 LEU 90 3HD1 LEU 90 -8.124 -11.106 -9.463 710 1HD2 LEU 90 1HD2 LEU 90 -9.344 -14.888 -10.007 711 2HD2 LEU 90 2HD2 LEU 90 -9.736 -14.671 -8.301 712 3HD2 LEU 90 3HD2 LEU 90 -8.072 -14.483 -8.855 713 H LEU 91 H LEU 91 -11.901 -9.012 -9.518 714 HA LEU 91 HA LEU 91 -14.190 -10.795 -10.030 715 1HB LEU 91 2HB LEU 91 -14.292 -8.739 -8.312 716 2HB LEU 91 3HB LEU 91 -14.673 -7.886 -9.807 717 HG LEU 91 HG LEU 91 -16.197 -10.308 -8.871 718 1HD1 LEU 91 1HD1 LEU 91 -17.345 -7.596 -8.586 719 2HD1 LEU 91 2HD1 LEU 91 -16.144 -8.092 -7.395 720 3HD1 LEU 91 3HD1 LEU 91 -17.607 -9.049 -7.622 721 1HD2 LEU 91 1HD2 LEU 91 -16.675 -8.176 -10.941 722 2HD2 LEU 91 2HD2 LEU 91 -17.933 -9.273 -10.372 723 3HD2 LEU 91 3HD2 LEU 91 -16.507 -9.914 -11.189 724 H GLU 92 H GLU 92 -12.583 -7.795 -11.070 725 HA GLU 92 HA GLU 92 -13.860 -7.624 -13.575 726 1HB GLU 92 2HB GLU 92 -11.891 -6.151 -14.172 727 2HB GLU 92 3HB GLU 92 -12.803 -5.669 -12.749 728 1HG GLU 92 2HG GLU 92 -11.122 -6.526 -11.291 729 2HG GLU 92 3HG GLU 92 -10.260 -7.268 -12.638 730 H VAL 93 H VAL 93 -10.906 -9.227 -12.521 731 HA VAL 93 HA VAL 93 -10.364 -10.146 -15.241 732 HB VAL 93 HB VAL 93 -8.754 -10.721 -12.754 733 1HG1 VAL 93 1HG1 VAL 93 -8.244 -11.003 -15.701 734 2HG1 VAL 93 2HG1 VAL 93 -6.933 -10.955 -14.521 735 3HG1 VAL 93 3HG1 VAL 93 -8.144 -12.235 -14.444 736 1HG2 VAL 93 1HG2 VAL 93 -7.294 -8.870 -14.043 737 2HG2 VAL 93 2HG2 VAL 93 -8.915 -8.304 -14.443 738 3HG2 VAL 93 3HG2 VAL 93 -8.435 -8.481 -12.756 739 H LEU 94 H LEU 94 -10.158 -12.358 -15.769 740 HA LEU 94 HA LEU 94 -10.802 -14.428 -13.914 741 1HB LEU 94 2HB LEU 94 -13.015 -13.203 -14.609 742 2HB LEU 94 3HB LEU 94 -12.836 -14.157 -16.079 743 HG LEU 94 HG LEU 94 -14.360 -15.212 -14.484 744 1HD1 LEU 94 1HD1 LEU 94 -12.467 -16.426 -15.954 745 2HD1 LEU 94 2HD1 LEU 94 -13.662 -17.295 -14.992 746 3HD1 LEU 94 3HD1 LEU 94 -12.041 -17.028 -14.352 747 1HD2 LEU 94 1HD2 LEU 94 -13.016 -14.256 -12.489 748 2HD2 LEU 94 2HD2 LEU 94 -12.048 -15.721 -12.651 749 3HD2 LEU 94 3HD2 LEU 94 -13.779 -15.838 -12.329 750 H PHE 95 H PHE 95 -9.950 -16.292 -14.609 751 HA PHE 95 HA PHE 95 -9.380 -16.568 -17.486 752 1HB PHE 95 2HB PHE 95 -7.275 -17.728 -16.869 753 2HB PHE 95 3HB PHE 95 -7.302 -16.048 -16.344 754 HD1 PHE 95 HD1 PHE 95 -7.795 -15.540 -13.934 755 HD2 PHE 95 HD2 PHE 95 -6.980 -19.475 -15.336 756 HE1 PHE 95 HE1 PHE 95 -7.281 -16.248 -11.634 757 HE2 PHE 95 HE2 PHE 95 -6.465 -20.190 -13.039 758 HZ PHE 95 HZ PHE 95 -6.616 -18.577 -11.184 759 H ASN 96 H ASN 96 -10.400 -18.249 -18.330 760 HA ASN 96 HA ASN 96 -10.470 -20.785 -16.930 761 1HB ASN 96 2HB ASN 96 -12.694 -19.045 -16.794 762 2HB ASN 96 3HB ASN 96 -13.131 -20.329 -17.919 763 1HD2 ASN 96 1HD2 ASN 96 -11.325 -20.095 -14.869 764 2HD2 ASN 96 2HD2 ASN 96 -12.152 -21.394 -14.085 765 H GLY 97 H GLY 97 -9.355 -19.587 -19.418 766 1HA GLY 97 2HA GLY 97 -8.836 -20.523 -21.473 767 2HA GLY 97 3HA GLY 97 -10.029 -21.776 -21.166 768 HA PRO 98 HA PRO 98 -12.440 -17.984 -22.978 769 1HB PRO 98 2HB PRO 98 -10.923 -15.999 -24.041 770 2HB PRO 98 3HB PRO 98 -11.450 -16.007 -22.354 771 1HG PRO 98 2HG PRO 98 -8.811 -16.809 -23.517 772 2HG PRO 98 3HG PRO 98 -9.148 -15.859 -22.058 773 1HD PRO 98 2HD PRO 98 -8.500 -18.486 -21.968 774 2HD PRO 98 3HD PRO 98 -9.592 -17.731 -20.789 775 H LEU 99 H LEU 99 -9.444 -19.118 -24.378 776 HA LEU 99 HA LEU 99 -10.305 -18.737 -27.102 777 1HB LEU 99 2HB LEU 99 -7.951 -20.128 -25.852 778 2HB LEU 99 3HB LEU 99 -8.246 -20.133 -27.589 779 HG LEU 99 HG LEU 99 -8.297 -17.494 -27.164 780 1HD1 LEU 99 1HD1 LEU 99 -7.542 -18.404 -24.673 781 2HD1 LEU 99 2HD1 LEU 99 -7.321 -16.770 -25.299 782 3HD1 LEU 99 3HD1 LEU 99 -6.015 -17.948 -25.428 783 1HD2 LEU 99 1HD2 LEU 99 -6.869 -18.226 -28.807 784 2HD2 LEU 99 2HD2 LEU 99 -6.071 -19.390 -27.749 785 3HD2 LEU 99 3HD2 LEU 99 -5.721 -17.669 -27.590 786 H GLU 100 H GLU 100 -10.542 -20.501 -28.634 787 HA GLU 100 HA GLU 100 -12.012 -22.726 -27.441 788 1HB GLU 100 2HB GLU 100 -12.924 -23.102 -29.650 789 2HB GLU 100 3HB GLU 100 -13.077 -21.399 -29.239 790 1HG GLU 100 2HG GLU 100 -10.621 -21.623 -30.541 791 2HG GLU 100 3HG GLU 100 -11.736 -22.635 -31.458 792 H HIS 101 H HIS 101 -8.924 -22.240 -28.011 793 HA HIS 101 HA HIS 101 -7.113 -23.577 -28.346 794 1HB HIS 101 2HB HIS 101 -9.164 -25.306 -27.356 795 2HB HIS 101 3HB HIS 101 -8.240 -26.175 -28.578 796 HD1 HIS 101 HD1 HIS 101 -5.455 -25.736 -28.135 797 HD2 HIS 101 HD2 HIS 101 -8.084 -25.660 -24.918 798 HE1 HIS 101 HE1 HIS 101 -4.038 -26.148 -26.099 Start of MODEL 4 1 1H MET 1 H MET 1 0.416 -1.010 -2.953 2 HA MET 1 HA MET 1 1.326 -1.123 -5.283 3 1HB MET 1 2HB MET 1 -0.255 1.069 -5.585 4 2HB MET 1 3HB MET 1 1.323 1.824 -5.411 5 1HG MET 1 2HG MET 1 0.545 -0.251 -7.445 6 2HG MET 1 3HG MET 1 0.816 1.465 -7.739 7 1HE MET 1 1HE MET 1 3.734 -0.255 -9.581 8 2HE MET 1 2HE MET 1 1.993 0.022 -9.633 9 3HE MET 1 3HE MET 1 3.101 1.391 -9.529 10 H LYS 2 H LYS 2 3.431 -1.430 -5.027 11 HA LYS 2 HA LYS 2 4.851 -0.028 -2.919 12 1HB LYS 2 2HB LYS 2 5.785 -2.220 -4.782 13 2HB LYS 2 3HB LYS 2 6.668 -1.614 -3.387 14 1HG LYS 2 2HG LYS 2 4.743 -2.347 -1.963 15 2HG LYS 2 3HG LYS 2 4.072 -3.131 -3.395 16 1HD LYS 2 2HD LYS 2 5.494 -4.853 -3.242 17 2HD LYS 2 3HD LYS 2 6.874 -3.795 -2.940 18 1HE LYS 2 2HE LYS 2 6.706 -5.037 -0.980 19 2HE LYS 2 3HE LYS 2 5.882 -3.530 -0.580 20 1HZ LYS 2 1HZ LYS 2 4.586 -6.086 -1.359 21 2HZ LYS 2 2HZ LYS 2 3.765 -4.636 -1.071 22 3HZ LYS 2 3HZ LYS 2 4.600 -5.399 0.187 23 H VAL 3 H VAL 3 6.578 1.335 -3.189 24 HA VAL 3 HA VAL 3 7.254 2.093 -5.955 25 HB VAL 3 HB VAL 3 7.206 4.110 -3.731 26 1HG1 VAL 3 1HG1 VAL 3 7.353 4.158 -6.714 27 2HG1 VAL 3 2HG1 VAL 3 6.709 5.551 -5.842 28 3HG1 VAL 3 3HG1 VAL 3 8.353 4.995 -5.528 29 1HG2 VAL 3 1HG2 VAL 3 4.971 4.802 -4.484 30 2HG2 VAL 3 2HG2 VAL 3 4.908 3.401 -5.554 31 3HG2 VAL 3 3HG2 VAL 3 4.965 3.173 -3.807 32 H TYR 4 H TYR 4 9.379 2.527 -6.381 33 HA TYR 4 HA TYR 4 11.267 2.315 -4.132 34 1HB TYR 4 2HB TYR 4 11.860 0.323 -5.002 35 2HB TYR 4 3HB TYR 4 11.036 0.641 -6.524 36 HD1 TYR 4 HD1 TYR 4 14.164 1.343 -4.648 37 HD2 TYR 4 HD2 TYR 4 12.254 1.215 -8.448 38 HE1 TYR 4 HE1 TYR 4 16.338 1.684 -5.746 39 HE2 TYR 4 HE2 TYR 4 14.423 1.555 -9.556 40 HH TYR 4 HH TYR 4 16.695 2.635 -8.860 41 H VAL 5 H VAL 5 12.346 4.153 -3.950 42 HA VAL 5 HA VAL 5 12.994 5.663 -6.398 43 HB VAL 5 HB VAL 5 13.221 7.643 -4.834 44 1HG1 VAL 5 1HG1 VAL 5 10.486 7.379 -4.466 45 2HG1 VAL 5 2HG1 VAL 5 11.297 8.062 -5.877 46 3HG1 VAL 5 3HG1 VAL 5 10.837 6.359 -5.860 47 1HG2 VAL 5 1HG2 VAL 5 11.383 6.591 -2.873 48 2HG2 VAL 5 2HG2 VAL 5 12.895 5.683 -2.879 49 3HG2 VAL 5 3HG2 VAL 5 12.918 7.430 -2.639 50 H GLY 6 H GLY 6 15.025 5.090 -6.930 51 1HA GLY 6 2HA GLY 6 17.047 5.010 -4.785 52 2HA GLY 6 3HA GLY 6 17.187 4.186 -6.331 53 H ASN 7 H ASN 7 19.350 5.395 -5.989 54 HA ASN 7 HA ASN 7 20.798 6.948 -6.804 55 1HB ASN 7 2HB ASN 7 18.431 7.228 -8.550 56 2HB ASN 7 3HB ASN 7 19.519 8.613 -8.528 57 1HD2 ASN 7 1HD2 ASN 7 19.608 5.076 -8.760 58 2HD2 ASN 7 2HD2 ASN 7 20.866 5.015 -9.943 59 H LEU 8 H LEU 8 20.618 7.736 -4.537 60 HA LEU 8 HA LEU 8 19.415 10.424 -4.434 61 1HB LEU 8 2HB LEU 8 20.130 8.754 -2.042 62 2HB LEU 8 3HB LEU 8 19.096 10.179 -2.110 63 HG LEU 8 HG LEU 8 18.409 7.498 -3.311 64 1HD1 LEU 8 1HD1 LEU 8 18.111 8.584 -0.604 65 2HD1 LEU 8 2HD1 LEU 8 18.076 6.915 -1.172 66 3HD1 LEU 8 3HD1 LEU 8 16.633 7.920 -1.302 67 1HD2 LEU 8 1HD2 LEU 8 17.438 9.829 -4.128 68 2HD2 LEU 8 2HD2 LEU 8 16.405 9.604 -2.716 69 3HD2 LEU 8 3HD2 LEU 8 16.430 8.388 -3.995 70 H GLY 9 H GLY 9 21.976 9.902 -5.571 71 1HA GLY 9 2HA GLY 9 23.878 10.810 -3.536 72 2HA GLY 9 3HA GLY 9 24.283 10.235 -5.147 73 H THR 10 H THR 10 21.852 12.144 -5.869 74 HA THR 10 HA THR 10 23.601 14.412 -6.430 75 HB THR 10 HB THR 10 22.281 13.465 -8.285 76 HG1 THR 10 HG1 THR 10 22.759 15.855 -7.948 77 1HG2 THR 10 1HG2 THR 10 20.240 13.295 -6.439 78 2HG2 THR 10 2HG2 THR 10 20.078 13.065 -8.180 79 3HG2 THR 10 3HG2 THR 10 19.743 14.641 -7.463 80 H GLY 11 H GLY 11 22.853 14.146 -3.734 81 1HA GLY 11 2HA GLY 11 22.081 15.437 -2.000 82 2HA GLY 11 3HA GLY 11 21.936 16.744 -3.166 83 H ALA 12 H ALA 12 20.210 13.776 -3.667 84 HA ALA 12 HA ALA 12 17.726 15.058 -2.744 85 1HB ALA 12 1HB ALA 12 16.984 13.454 -4.891 86 2HB ALA 12 2HB ALA 12 17.056 15.217 -4.858 87 3HB ALA 12 3HB ALA 12 18.440 14.288 -5.435 88 H GLY 13 H GLY 13 17.206 13.869 -1.002 89 1HA GLY 13 2HA GLY 13 17.040 10.945 -1.378 90 2HA GLY 13 3HA GLY 13 17.671 11.641 0.107 91 H LYS 14 H LYS 14 16.253 11.404 1.691 92 HA LYS 14 HA LYS 14 13.568 10.809 1.459 93 1HB LYS 14 2HB LYS 14 15.233 10.909 3.531 94 2HB LYS 14 3HB LYS 14 14.433 12.454 3.790 95 1HG LYS 14 2HG LYS 14 12.378 11.471 4.196 96 2HG LYS 14 3HG LYS 14 12.820 9.972 3.374 97 1HD LYS 14 2HD LYS 14 13.482 9.084 5.300 98 2HD LYS 14 3HD LYS 14 14.625 10.407 5.543 99 1HE LYS 14 2HE LYS 14 11.698 10.510 6.260 100 2HE LYS 14 3HE LYS 14 12.995 10.145 7.397 101 1HZ LYS 14 1HZ LYS 14 12.547 12.685 5.933 102 2HZ LYS 14 2HZ LYS 14 13.965 12.346 6.791 103 3HZ LYS 14 3HZ LYS 14 12.485 12.434 7.606 104 H GLY 15 H GLY 15 15.076 13.998 1.886 105 1HA GLY 15 2HA GLY 15 12.675 15.473 2.017 106 2HA GLY 15 3HA GLY 15 14.251 16.119 1.583 107 H GLU 16 H GLU 16 14.788 14.699 -0.730 108 HA GLU 16 HA GLU 16 13.457 16.203 -2.667 109 1HB GLU 16 2HB GLU 16 15.581 15.316 -3.226 110 2HB GLU 16 3HB GLU 16 15.083 13.674 -2.842 111 1HG GLU 16 2HG GLU 16 13.451 14.861 -4.924 112 2HG GLU 16 3HG GLU 16 15.162 14.823 -5.345 113 H LEU 17 H LEU 17 13.133 12.700 -2.057 114 HA LEU 17 HA LEU 17 10.941 12.312 -3.760 115 1HB LEU 17 2HB LEU 17 10.820 10.167 -2.914 116 2HB LEU 17 3HB LEU 17 12.505 10.601 -2.635 117 HG LEU 17 HG LEU 17 11.539 11.299 -0.262 118 1HD1 LEU 17 1HD1 LEU 17 9.916 8.940 -0.278 119 2HD1 LEU 17 2HD1 LEU 17 9.304 10.097 -1.460 120 3HD1 LEU 17 3HD1 LEU 17 9.501 10.579 0.225 121 1HD2 LEU 17 1HD2 LEU 17 12.173 8.476 -1.117 122 2HD2 LEU 17 2HD2 LEU 17 12.183 9.066 0.546 123 3HD2 LEU 17 3HD2 LEU 17 13.334 9.710 -0.626 124 H GLU 18 H GLU 18 11.140 13.328 -0.412 125 HA GLU 18 HA GLU 18 8.479 12.948 0.350 126 1HB GLU 18 2HB GLU 18 10.141 13.481 2.002 127 2HB GLU 18 3HB GLU 18 10.501 15.014 1.220 128 1HG GLU 18 2HG GLU 18 9.174 15.335 3.228 129 2HG GLU 18 3HG GLU 18 8.290 15.846 1.791 130 H ARG 19 H ARG 19 10.036 15.873 -0.963 131 HA ARG 19 HA ARG 19 7.673 17.403 -1.109 132 1HB ARG 19 2HB ARG 19 10.054 17.749 -2.923 133 2HB ARG 19 3HB ARG 19 8.935 18.980 -2.353 134 1HG ARG 19 2HG ARG 19 10.043 17.870 -0.045 135 2HG ARG 19 3HG ARG 19 11.385 18.047 -1.178 136 1HD ARG 19 2HD ARG 19 9.430 20.228 -0.457 137 2HD ARG 19 3HD ARG 19 11.036 20.041 0.248 138 HE ARG 19 HE ARG 19 11.201 20.151 -2.574 139 1HH1 ARG 19 1HH1 ARG 19 10.644 22.152 0.219 140 2HH1 ARG 19 2HH1 ARG 19 11.244 23.594 -0.532 141 1HH2 ARG 19 1HH2 ARG 19 11.993 22.042 -3.574 142 2HH2 ARG 19 2HH2 ARG 19 12.010 23.530 -2.690 143 H ALA 20 H ALA 20 9.349 15.401 -3.507 144 HA ALA 20 HA ALA 20 7.696 15.982 -5.697 145 1HB ALA 20 1HB ALA 20 8.693 13.247 -5.670 146 2HB ALA 20 2HB ALA 20 9.034 14.568 -6.788 147 3HB ALA 20 3HB ALA 20 9.932 14.439 -5.276 148 H PHE 21 H PHE 21 7.679 12.963 -3.791 149 HA PHE 21 HA PHE 21 5.332 11.902 -4.744 150 1HB PHE 21 2HB PHE 21 6.764 11.662 -2.127 151 2HB PHE 21 3HB PHE 21 5.179 10.917 -2.307 152 HD1 PHE 21 HD1 PHE 21 8.476 11.111 -4.033 153 HD2 PHE 21 HD2 PHE 21 5.050 8.763 -3.103 154 HE1 PHE 21 HE1 PHE 21 9.521 9.164 -5.115 155 HE2 PHE 21 HE2 PHE 21 6.090 6.812 -4.183 156 HZ PHE 21 HZ PHE 21 8.328 7.011 -5.190 157 H SER 22 H SER 22 5.713 14.022 -1.912 158 HA SER 22 HA SER 22 3.021 14.146 -1.183 159 1HB SER 22 2HB SER 22 4.718 14.959 0.324 160 2HB SER 22 3HB SER 22 5.236 16.178 -0.840 161 HG SER 22 HG SER 22 3.827 16.965 0.853 162 H TYR 23 H TYR 23 4.890 16.202 -3.384 163 HA TYR 23 HA TYR 23 2.952 18.109 -3.953 164 1HB TYR 23 2HB TYR 23 5.394 17.110 -5.274 165 2HB TYR 23 3HB TYR 23 4.237 17.896 -6.342 166 HD1 TYR 23 HD1 TYR 23 5.022 18.697 -2.795 167 HD2 TYR 23 HD2 TYR 23 5.261 19.933 -6.859 168 HE1 TYR 23 HE1 TYR 23 5.856 20.895 -2.071 169 HE2 TYR 23 HE2 TYR 23 6.096 22.134 -6.147 170 HH TYR 23 HH TYR 23 7.432 22.941 -3.850 171 H TYR 24 H TYR 24 3.500 14.939 -5.425 172 HA TYR 24 HA TYR 24 1.434 15.231 -7.377 173 1HB TYR 24 2HB TYR 24 3.160 12.978 -6.429 174 2HB TYR 24 3HB TYR 24 1.749 12.621 -7.418 175 HD1 TYR 24 HD1 TYR 24 4.740 14.861 -7.388 176 HD2 TYR 24 HD2 TYR 24 1.989 12.601 -9.718 177 HE1 TYR 24 HE1 TYR 24 6.037 15.381 -9.412 178 HE2 TYR 24 HE2 TYR 24 3.279 13.114 -11.749 179 HH TYR 24 HH TYR 24 6.144 15.208 -11.625 180 H GLY 25 H GLY 25 1.662 13.762 -4.176 181 1HA GLY 25 2HA GLY 25 -0.962 14.135 -3.439 182 2HA GLY 25 3HA GLY 25 -0.939 12.578 -4.254 183 HA PRO 26 HA PRO 26 0.426 12.348 0.312 184 1HB PRO 26 2HB PRO 26 -1.871 11.371 1.380 185 2HB PRO 26 3HB PRO 26 -1.517 13.100 1.280 186 1HG PRO 26 2HG PRO 26 -3.219 11.409 -0.510 187 2HG PRO 26 3HG PRO 26 -3.536 13.032 0.128 188 1HD PRO 26 2HD PRO 26 -2.643 12.606 -2.392 189 2HD PRO 26 3HD PRO 26 -2.209 14.051 -1.457 190 H LEU 27 H LEU 27 1.694 10.593 0.248 191 HA LEU 27 HA LEU 27 0.717 8.084 -0.835 192 1HB LEU 27 2HB LEU 27 3.097 7.353 -0.164 193 2HB LEU 27 3HB LEU 27 2.888 8.467 -1.514 194 HG LEU 27 HG LEU 27 3.547 10.334 -0.104 195 1HD1 LEU 27 1HD1 LEU 27 2.703 9.661 2.026 196 2HD1 LEU 27 2HD1 LEU 27 4.449 9.864 2.172 197 3HD1 LEU 27 3HD1 LEU 27 3.756 8.246 2.056 198 1HD2 LEU 27 1HD2 LEU 27 5.191 8.443 -1.136 199 2HD2 LEU 27 2HD2 LEU 27 5.709 8.457 0.550 200 3HD2 LEU 27 3HD2 LEU 27 5.741 9.946 -0.395 201 H ARG 28 H ARG 28 1.739 6.106 0.537 202 HA ARG 28 HA ARG 28 0.195 6.089 2.970 203 1HB ARG 28 2HB ARG 28 0.323 4.146 1.396 204 2HB ARG 28 3HB ARG 28 2.002 3.931 1.872 205 1HG ARG 28 2HG ARG 28 1.360 2.687 3.581 206 2HG ARG 28 3HG ARG 28 0.443 4.047 4.234 207 1HD ARG 28 2HD ARG 28 -1.528 3.378 3.164 208 2HD ARG 28 3HD ARG 28 -0.667 2.317 2.050 209 HE ARG 28 HE ARG 28 -0.322 1.465 4.733 210 1HH1 ARG 28 1HH1 ARG 28 -2.630 1.513 2.127 211 2HH1 ARG 28 2HH1 ARG 28 -3.458 0.088 2.661 212 1HH2 ARG 28 1HH2 ARG 28 -1.404 -0.412 5.446 213 2HH2 ARG 28 2HH2 ARG 28 -2.761 -1.005 4.550 214 H THR 29 H THR 29 3.625 5.541 2.171 215 HA THR 29 HA THR 29 4.498 6.912 4.529 216 HB THR 29 HB THR 29 5.848 4.674 5.150 217 HG1 THR 29 HG1 THR 29 3.282 3.632 4.583 218 1HG2 THR 29 1HG2 THR 29 3.103 4.792 6.273 219 2HG2 THR 29 2HG2 THR 29 4.104 6.236 6.428 220 3HG2 THR 29 3HG2 THR 29 4.660 4.701 7.095 221 H VAL 30 H VAL 30 6.894 6.885 4.728 222 HA VAL 30 HA VAL 30 8.184 6.379 2.126 223 HB VAL 30 HB VAL 30 8.755 8.687 3.990 224 1HG1 VAL 30 1HG1 VAL 30 9.979 7.800 1.395 225 2HG1 VAL 30 2HG1 VAL 30 10.099 9.465 1.967 226 3HG1 VAL 30 3HG1 VAL 30 10.779 8.150 2.927 227 1HG2 VAL 30 1HG2 VAL 30 7.704 10.111 2.415 228 2HG2 VAL 30 2HG2 VAL 30 7.560 8.812 1.230 229 3HG2 VAL 30 3HG2 VAL 30 6.585 8.777 2.700 230 H TRP 31 H TRP 31 10.325 5.679 2.152 231 HA TRP 31 HA TRP 31 11.600 5.196 4.729 232 1HB TRP 31 2HB TRP 31 10.115 3.183 3.628 233 2HB TRP 31 3HB TRP 31 11.706 2.851 2.951 234 HD1 TRP 31 HD1 TRP 31 10.242 3.589 6.480 235 HE1 TRP 31 HE1 TRP 31 11.481 2.094 8.170 236 HE3 TRP 31 HE3 TRP 31 13.524 1.306 3.293 237 HZ2 TRP 31 HZ2 TRP 31 13.572 0.198 8.154 238 HZ3 TRP 31 HZ3 TRP 31 15.111 -0.335 4.210 239 HH2 TRP 31 HH2 TRP 31 15.133 -0.876 6.591 240 H ILE 32 H ILE 32 13.843 4.904 4.611 241 HA ILE 32 HA ILE 32 15.048 5.256 1.950 242 HB ILE 32 HB ILE 32 16.143 6.648 4.381 243 1HG1 ILE 32 2HG1 ILE 32 13.853 7.467 4.024 244 2HG1 ILE 32 3HG1 ILE 32 15.040 8.701 3.618 245 1HG2 ILE 32 1HG2 ILE 32 17.772 7.258 3.004 246 2HG2 ILE 32 2HG2 ILE 32 17.053 6.253 1.746 247 3HG2 ILE 32 3HG2 ILE 32 16.604 7.953 1.880 248 1HD1 ILE 32 1HD1 ILE 32 12.935 8.015 2.069 249 2HD1 ILE 32 2HD1 ILE 32 14.417 8.762 1.471 250 3HD1 ILE 32 3HD1 ILE 32 14.209 7.013 1.373 251 H ALA 33 H ALA 33 17.018 4.265 1.621 252 HA ALA 33 HA ALA 33 17.827 2.367 3.718 253 1HB ALA 33 1HB ALA 33 17.065 1.609 1.366 254 2HB ALA 33 2HB ALA 33 18.669 2.138 0.855 255 3HB ALA 33 3HB ALA 33 18.503 0.876 2.077 256 H ARG 34 H ARG 34 19.411 3.263 4.898 257 HA ARG 34 HA ARG 34 21.355 5.049 3.769 258 1HB ARG 34 2HB ARG 34 20.544 5.273 6.095 259 2HB ARG 34 3HB ARG 34 21.294 3.732 6.490 260 1HG ARG 34 2HG ARG 34 23.352 4.621 6.634 261 2HG ARG 34 3HG ARG 34 23.086 5.720 5.279 262 1HD ARG 34 2HD ARG 34 23.325 7.085 7.192 263 2HD ARG 34 3HD ARG 34 21.602 7.059 6.823 264 HE ARG 34 HE ARG 34 22.378 5.058 8.723 265 1HH1 ARG 34 1HH1 ARG 34 21.481 8.397 8.314 266 2HH1 ARG 34 2HH1 ARG 34 20.909 8.578 9.939 267 1HH2 ARG 34 1HH2 ARG 34 21.627 5.284 10.866 268 2HH2 ARG 34 2HH2 ARG 34 20.993 6.807 11.390 269 H ASN 35 H ASN 35 21.184 1.648 4.516 270 HA ASN 35 HA ASN 35 23.812 0.895 4.690 271 1HB ASN 35 2HB ASN 35 21.318 -0.387 3.850 272 2HB ASN 35 3HB ASN 35 22.745 -1.090 3.094 273 1HD2 ASN 35 1HD2 ASN 35 23.690 -2.652 4.174 274 2HD2 ASN 35 2HD2 ASN 35 23.599 -2.914 5.879 275 HA PRO 36 HA PRO 36 24.186 0.654 -0.118 276 1HB PRO 36 2HB PRO 36 22.168 1.724 -1.585 277 2HB PRO 36 3HB PRO 36 22.183 0.037 -1.060 278 1HG PRO 36 2HG PRO 36 20.750 2.379 0.133 279 2HG PRO 36 3HG PRO 36 20.162 0.729 -0.141 280 1HD PRO 36 2HD PRO 36 21.001 1.592 2.284 281 2HD PRO 36 3HD PRO 36 21.197 -0.089 1.749 282 HA PRO 37 HA PRO 37 25.701 4.724 -0.810 283 1HB PRO 37 2HB PRO 37 25.819 4.898 -3.517 284 2HB PRO 37 3HB PRO 37 26.922 3.892 -2.570 285 1HG PRO 37 2HG PRO 37 24.458 3.102 -4.076 286 2HG PRO 37 3HG PRO 37 26.030 2.285 -3.995 287 1HD PRO 37 2HD PRO 37 23.893 1.478 -2.541 288 2HD PRO 37 3HD PRO 37 25.562 1.313 -1.958 289 H GLY 38 H GLY 38 22.828 3.900 -2.711 290 1HA GLY 38 2HA GLY 38 21.514 6.324 -1.959 291 2HA GLY 38 3HA GLY 38 22.057 6.379 -3.629 292 H PHE 39 H PHE 39 20.027 4.623 -1.343 293 HA PHE 39 HA PHE 39 18.172 4.033 -3.510 294 1HB PHE 39 2HB PHE 39 19.554 1.950 -1.839 295 2HB PHE 39 3HB PHE 39 17.963 1.646 -2.528 296 HD1 PHE 39 HD1 PHE 39 21.035 0.622 -3.007 297 HD2 PHE 39 HD2 PHE 39 18.143 2.896 -5.149 298 HE1 PHE 39 HE1 PHE 39 22.088 -0.044 -5.128 299 HE2 PHE 39 HE2 PHE 39 19.191 2.232 -7.274 300 HZ PHE 39 HZ PHE 39 21.166 0.760 -7.266 301 H ALA 40 H ALA 40 16.111 4.270 -2.892 302 HA ALA 40 HA ALA 40 15.448 4.097 -0.040 303 1HB ALA 40 1HB ALA 40 15.487 6.352 -0.008 304 2HB ALA 40 2HB ALA 40 15.285 6.490 -1.755 305 3HB ALA 40 3HB ALA 40 13.887 6.175 -0.727 306 H PHE 41 H PHE 41 13.168 3.814 0.385 307 HA PHE 41 HA PHE 41 11.660 2.797 -1.931 308 1HB PHE 41 2HB PHE 41 12.414 0.867 -0.720 309 2HB PHE 41 3HB PHE 41 11.920 1.570 0.817 310 HD1 PHE 41 HD1 PHE 41 10.821 -0.155 -2.195 311 HD2 PHE 41 HD2 PHE 41 9.572 1.650 1.451 312 HE1 PHE 41 HE1 PHE 41 8.631 -1.257 -2.403 313 HE2 PHE 41 HE2 PHE 41 7.381 0.550 1.250 314 HZ PHE 41 HZ PHE 41 6.908 -0.906 -0.679 315 H VAL 42 H VAL 42 9.438 3.122 -1.922 316 HA VAL 42 HA VAL 42 8.303 4.660 0.301 317 HB VAL 42 HB VAL 42 8.106 5.483 -2.600 318 1HG1 VAL 42 1HG1 VAL 42 6.659 6.372 -0.137 319 2HG1 VAL 42 2HG1 VAL 42 6.941 7.502 -1.463 320 3HG1 VAL 42 3HG1 VAL 42 6.022 6.022 -1.744 321 1HG2 VAL 42 1HG2 VAL 42 10.241 6.008 -1.340 322 2HG2 VAL 42 2HG2 VAL 42 9.390 7.385 -2.040 323 3HG2 VAL 42 3HG2 VAL 42 9.263 7.056 -0.312 324 H GLU 43 H GLU 43 6.061 4.481 0.540 325 HA GLU 43 HA GLU 43 4.803 2.394 -1.119 326 1HB GLU 43 2HB GLU 43 5.357 1.813 1.312 327 2HB GLU 43 3HB GLU 43 4.090 2.949 1.754 328 1HG GLU 43 2HG GLU 43 2.535 1.419 1.415 329 2HG GLU 43 3HG GLU 43 3.099 1.153 -0.234 330 H PHE 44 H PHE 44 3.115 3.060 -2.254 331 HA PHE 44 HA PHE 44 1.782 5.555 -1.472 332 1HB PHE 44 2HB PHE 44 2.642 4.486 -3.981 333 2HB PHE 44 3HB PHE 44 0.891 4.673 -4.022 334 HD1 PHE 44 HD1 PHE 44 3.708 6.226 -5.008 335 HD2 PHE 44 HD2 PHE 44 0.260 7.034 -2.648 336 HE1 PHE 44 HE1 PHE 44 3.982 8.633 -5.438 337 HE2 PHE 44 HE2 PHE 44 0.527 9.442 -3.075 338 HZ PHE 44 HZ PHE 44 2.390 10.244 -4.472 339 H GLU 45 H GLU 45 -0.137 5.441 -0.531 340 HA GLU 45 HA GLU 45 -1.522 3.104 0.015 341 1HB GLU 45 2HB GLU 45 -3.401 4.535 0.660 342 2HB GLU 45 3HB GLU 45 -1.877 5.184 1.250 343 1HG GLU 45 2HG GLU 45 -1.861 6.721 -0.716 344 2HG GLU 45 3HG GLU 45 -3.485 6.153 -1.098 345 H ASP 46 H ASP 46 -1.695 5.206 -2.767 346 HA ASP 46 HA ASP 46 -3.708 3.405 -3.946 347 1HB ASP 46 2HB ASP 46 -3.812 6.225 -3.605 348 2HB ASP 46 3HB ASP 46 -3.643 5.906 -5.329 349 HA PRO 47 HA PRO 47 -0.757 2.450 -7.062 350 1HB PRO 47 2HB PRO 47 -2.436 1.725 -9.067 351 2HB PRO 47 3HB PRO 47 -2.148 0.717 -7.644 352 1HG PRO 47 2HG PRO 47 -4.428 2.569 -8.224 353 2HG PRO 47 3HG PRO 47 -4.459 0.941 -7.520 354 1HD PRO 47 2HD PRO 47 -4.651 3.183 -6.014 355 2HD PRO 47 3HD PRO 47 -3.875 1.699 -5.424 356 H ARG 48 H ARG 48 -3.558 4.311 -8.258 357 HA ARG 48 HA ARG 48 -2.441 5.365 -10.547 358 1HB ARG 48 2HB ARG 48 -4.810 5.618 -9.916 359 2HB ARG 48 3HB ARG 48 -4.347 6.756 -8.657 360 1HG ARG 48 2HG ARG 48 -3.276 8.090 -10.602 361 2HG ARG 48 3HG ARG 48 -4.329 7.108 -11.622 362 1HD ARG 48 2HD ARG 48 -5.168 8.919 -9.362 363 2HD ARG 48 3HD ARG 48 -5.431 9.187 -11.085 364 HE ARG 48 HE ARG 48 -6.581 6.738 -10.139 365 1HH1 ARG 48 1HH1 ARG 48 -7.067 10.171 -10.456 366 2HH1 ARG 48 2HH1 ARG 48 -8.796 10.061 -10.428 367 1HH2 ARG 48 1HH2 ARG 48 -8.856 6.580 -10.101 368 2HH2 ARG 48 2HH2 ARG 48 -9.812 8.018 -10.225 369 H ASP 49 H ASP 49 -2.200 6.566 -7.229 370 HA ASP 49 HA ASP 49 -0.816 8.949 -7.832 371 1HB ASP 49 2HB ASP 49 -0.550 7.379 -5.268 372 2HB ASP 49 3HB ASP 49 -0.378 9.118 -5.494 373 H ALA 50 H ALA 50 0.251 5.655 -7.251 374 HA ALA 50 HA ALA 50 3.031 6.289 -7.080 375 1HB ALA 50 1HB ALA 50 2.088 3.580 -7.885 376 2HB ALA 50 2HB ALA 50 3.391 4.042 -6.789 377 3HB ALA 50 3HB ALA 50 1.712 4.175 -6.267 378 H GLU 51 H GLU 51 0.889 5.147 -9.656 379 HA GLU 51 HA GLU 51 2.875 4.722 -11.604 380 1HB GLU 51 2HB GLU 51 -0.077 5.276 -11.754 381 2HB GLU 51 3HB GLU 51 0.892 5.117 -13.212 382 1HG GLU 51 2HG GLU 51 1.622 2.874 -12.369 383 2HG GLU 51 3HG GLU 51 0.422 3.043 -11.089 384 H ASP 52 H ASP 52 0.833 7.545 -10.921 385 HA ASP 52 HA ASP 52 1.909 9.152 -12.999 386 1HB ASP 52 2HB ASP 52 -0.052 9.431 -10.893 387 2HB ASP 52 3HB ASP 52 0.957 10.872 -10.997 388 H ALA 53 H ALA 53 2.476 9.106 -9.484 389 HA ALA 53 HA ALA 53 4.380 11.118 -9.346 390 1HB ALA 53 1HB ALA 53 5.224 9.814 -7.317 391 2HB ALA 53 2HB ALA 53 3.537 10.329 -7.309 392 3HB ALA 53 3HB ALA 53 3.946 8.656 -7.685 393 H VAL 54 H VAL 54 4.971 7.609 -9.629 394 HA VAL 54 HA VAL 54 7.750 7.757 -9.882 395 HB VAL 54 HB VAL 54 5.826 5.696 -10.962 396 1HG1 VAL 54 1HG1 VAL 54 8.271 4.464 -10.603 397 2HG1 VAL 54 2HG1 VAL 54 7.549 4.919 -12.148 398 3HG1 VAL 54 3HG1 VAL 54 8.688 6.005 -11.351 399 1HG2 VAL 54 1HG2 VAL 54 5.769 4.864 -8.901 400 2HG2 VAL 54 2HG2 VAL 54 7.529 4.860 -8.796 401 3HG2 VAL 54 3HG2 VAL 54 6.623 6.306 -8.351 402 H ARG 55 H ARG 55 5.269 7.519 -12.428 403 HA ARG 55 HA ARG 55 6.902 7.537 -14.649 404 1HB ARG 55 2HB ARG 55 4.128 8.536 -14.138 405 2HB ARG 55 3HB ARG 55 4.888 8.868 -15.689 406 1HG ARG 55 2HG ARG 55 5.007 6.606 -16.251 407 2HG ARG 55 3HG ARG 55 4.758 6.088 -14.582 408 1HD ARG 55 2HD ARG 55 2.625 5.785 -15.187 409 2HD ARG 55 3HD ARG 55 2.496 7.540 -15.082 410 HE ARG 55 HE ARG 55 3.412 6.705 -17.644 411 1HH1 ARG 55 1HH1 ARG 55 0.566 7.008 -15.662 412 2HH1 ARG 55 2HH1 ARG 55 -0.515 7.158 -17.008 413 1HH2 ARG 55 1HH2 ARG 55 1.999 6.902 -19.424 414 2HH2 ARG 55 2HH2 ARG 55 0.301 7.097 -19.147 415 H GLY 56 H GLY 56 5.807 10.263 -12.692 416 1HA GLY 56 2HA GLY 56 6.953 12.244 -14.430 417 2HA GLY 56 3HA GLY 56 6.302 12.518 -12.820 418 H LEU 57 H LEU 57 7.783 11.182 -11.125 419 HA LEU 57 HA LEU 57 10.104 12.637 -10.810 420 1HB LEU 57 2HB LEU 57 9.047 10.113 -9.684 421 2HB LEU 57 3HB LEU 57 10.768 10.421 -9.458 422 HG LEU 57 HG LEU 57 10.302 12.444 -8.246 423 1HD1 LEU 57 1HD1 LEU 57 7.624 12.085 -9.407 424 2HD1 LEU 57 2HD1 LEU 57 8.495 13.559 -8.986 425 3HD1 LEU 57 3HD1 LEU 57 7.660 12.641 -7.734 426 1HD2 LEU 57 1HD2 LEU 57 9.405 9.854 -7.429 427 2HD2 LEU 57 2HD2 LEU 57 8.376 11.089 -6.704 428 3HD2 LEU 57 3HD2 LEU 57 10.123 11.141 -6.460 429 H ASP 58 H ASP 58 9.670 9.493 -12.366 430 HA ASP 58 HA ASP 58 12.482 9.197 -12.924 431 1HB ASP 58 2HB ASP 58 11.418 7.137 -12.655 432 2HB ASP 58 3HB ASP 58 10.012 7.630 -13.594 433 H GLY 59 H GLY 59 9.592 10.188 -14.685 434 1HA GLY 59 2HA GLY 59 10.561 10.212 -17.281 435 2HA GLY 59 3HA GLY 59 9.354 11.329 -16.663 436 H LYS 60 H LYS 60 10.719 12.851 -14.896 437 HA LYS 60 HA LYS 60 13.011 13.931 -16.384 438 1HB LYS 60 2HB LYS 60 10.548 15.119 -16.457 439 2HB LYS 60 3HB LYS 60 11.298 15.949 -15.099 440 1HG LYS 60 2HG LYS 60 13.244 15.907 -17.098 441 2HG LYS 60 3HG LYS 60 11.730 16.289 -17.921 442 1HD LYS 60 2HD LYS 60 11.547 17.870 -15.720 443 2HD LYS 60 3HD LYS 60 13.291 17.869 -15.994 444 1HE LYS 60 2HE LYS 60 12.698 19.620 -17.330 445 2HE LYS 60 3HE LYS 60 12.537 18.302 -18.490 446 1HZ LYS 60 1HZ LYS 60 10.628 20.087 -18.032 447 2HZ LYS 60 2HZ LYS 60 10.174 18.905 -16.910 448 3HZ LYS 60 3HZ LYS 60 10.310 18.508 -18.549 449 H VAL 61 H VAL 61 13.278 16.204 -14.651 450 HA VAL 61 HA VAL 61 14.342 14.832 -12.285 451 HB VAL 61 HB VAL 61 15.862 16.634 -12.007 452 1HG1 VAL 61 1HG1 VAL 61 16.034 14.998 -14.076 453 2HG1 VAL 61 2HG1 VAL 61 15.885 16.509 -14.976 454 3HG1 VAL 61 3HG1 VAL 61 17.203 16.294 -13.823 455 1HG2 VAL 61 1HG2 VAL 61 15.490 18.441 -14.062 456 2HG2 VAL 61 2HG2 VAL 61 13.853 18.119 -13.490 457 3HG2 VAL 61 3HG2 VAL 61 15.083 18.695 -12.365 458 H ILE 62 H ILE 62 14.098 15.764 -10.192 459 HA ILE 62 HA ILE 62 11.669 17.413 -9.940 460 HB ILE 62 HB ILE 62 11.242 15.290 -8.960 461 1HG1 ILE 62 2HG1 ILE 62 10.842 15.863 -6.623 462 2HG1 ILE 62 3HG1 ILE 62 12.020 17.168 -6.718 463 1HG2 ILE 62 1HG2 ILE 62 14.038 15.403 -8.284 464 2HG2 ILE 62 2HG2 ILE 62 13.071 14.967 -6.875 465 3HG2 ILE 62 3HG2 ILE 62 12.956 14.012 -8.353 466 1HD1 ILE 62 1HD1 ILE 62 10.625 18.500 -7.997 467 2HD1 ILE 62 2HD1 ILE 62 9.632 17.136 -8.513 468 3HD1 ILE 62 3HD1 ILE 62 9.520 17.733 -6.857 469 H CYS 63 H CYS 63 12.566 19.439 -9.878 470 HA CYS 63 HA CYS 63 13.527 21.281 -8.954 471 1HB CYS 63 2HB CYS 63 12.438 20.103 -6.866 472 2HB CYS 63 3HB CYS 63 14.113 19.803 -6.418 473 HG CYS 63 HG CYS 63 14.829 22.486 -6.316 474 H GLY 64 H GLY 64 15.135 19.389 -10.410 475 1HA GLY 64 2HA GLY 64 17.391 19.546 -11.031 476 2HA GLY 64 3HA GLY 64 17.746 20.279 -9.473 477 H SER 65 H SER 65 15.872 17.369 -9.587 478 HA SER 65 HA SER 65 18.236 15.814 -8.771 479 1HB SER 65 2HB SER 65 17.243 15.938 -6.710 480 2HB SER 65 3HB SER 65 15.631 16.184 -7.383 481 HG SER 65 HG SER 65 15.478 14.006 -7.784 482 H ARG 66 H ARG 66 18.496 14.742 -10.691 483 HA ARG 66 HA ARG 66 16.255 13.471 -11.999 484 1HB ARG 66 2HB ARG 66 17.942 12.681 -13.615 485 2HB ARG 66 3HB ARG 66 18.027 14.419 -13.364 486 1HG ARG 66 2HG ARG 66 19.803 13.460 -11.508 487 2HG ARG 66 3HG ARG 66 20.018 12.357 -12.869 488 1HD ARG 66 2HD ARG 66 20.346 14.278 -14.359 489 2HD ARG 66 3HD ARG 66 20.151 15.368 -12.987 490 HE ARG 66 HE ARG 66 22.186 13.640 -12.301 491 1HH1 ARG 66 1HH1 ARG 66 21.567 15.963 -14.819 492 2HH1 ARG 66 2HH1 ARG 66 23.238 16.364 -15.040 493 1HH2 ARG 66 1HH2 ARG 66 24.389 14.159 -12.583 494 2HH2 ARG 66 2HH2 ARG 66 24.842 15.336 -13.768 495 H VAL 67 H VAL 67 16.156 12.418 -9.605 496 HA VAL 67 HA VAL 67 17.790 10.190 -9.066 497 HB VAL 67 HB VAL 67 15.868 9.432 -7.614 498 1HG1 VAL 67 1HG1 VAL 67 16.959 10.623 -6.093 499 2HG1 VAL 67 2HG1 VAL 67 17.606 11.668 -7.359 500 3HG1 VAL 67 3HG1 VAL 67 16.071 12.064 -6.585 501 1HG2 VAL 67 1HG2 VAL 67 14.166 10.594 -9.126 502 2HG2 VAL 67 2HG2 VAL 67 13.928 10.728 -7.384 503 3HG2 VAL 67 3HG2 VAL 67 14.617 12.078 -8.285 504 H ARG 68 H ARG 68 16.635 7.932 -8.799 505 HA ARG 68 HA ARG 68 15.322 7.295 -11.359 506 1HB ARG 68 2HB ARG 68 17.411 5.707 -9.861 507 2HB ARG 68 3HB ARG 68 16.489 5.079 -11.220 508 1HG ARG 68 2HG ARG 68 18.125 7.580 -11.452 509 2HG ARG 68 3HG ARG 68 18.828 5.977 -11.682 510 1HD ARG 68 2HD ARG 68 18.225 6.281 -13.826 511 2HD ARG 68 3HD ARG 68 16.630 5.798 -13.250 512 HE ARG 68 HE ARG 68 16.734 8.511 -12.874 513 1HH1 ARG 68 1HH1 ARG 68 17.100 6.351 -15.580 514 2HH1 ARG 68 2HH1 ARG 68 16.502 7.492 -16.739 515 1HH2 ARG 68 1HH2 ARG 68 15.945 10.021 -14.390 516 2HH2 ARG 68 2HH2 ARG 68 15.846 9.580 -16.061 517 H VAL 69 H VAL 69 13.247 6.972 -10.812 518 HA VAL 69 HA VAL 69 12.672 5.264 -8.483 519 HB VAL 69 HB VAL 69 11.636 7.416 -8.235 520 1HG1 VAL 69 1HG1 VAL 69 10.053 8.308 -9.878 521 2HG1 VAL 69 2HG1 VAL 69 11.667 8.119 -10.567 522 3HG1 VAL 69 3HG1 VAL 69 10.402 6.950 -10.947 523 1HG2 VAL 69 1HG2 VAL 69 9.339 6.782 -7.961 524 2HG2 VAL 69 2HG2 VAL 69 9.509 5.480 -9.139 525 3HG2 VAL 69 3HG2 VAL 69 10.347 5.383 -7.590 526 H GLU 70 H GLU 70 11.330 3.500 -8.684 527 HA GLU 70 HA GLU 70 10.052 2.908 -11.213 528 1HB GLU 70 2HB GLU 70 12.646 2.017 -10.859 529 2HB GLU 70 3HB GLU 70 11.678 0.628 -10.386 530 1HG GLU 70 2HG GLU 70 10.463 0.824 -12.549 531 2HG GLU 70 3HG GLU 70 11.605 2.082 -13.017 532 H LEU 71 H LEU 71 8.858 0.793 -11.098 533 HA LEU 71 HA LEU 71 7.833 0.417 -8.366 534 1HB LEU 71 2HB LEU 71 6.454 -0.322 -10.935 535 2HB LEU 71 3HB LEU 71 5.753 -0.244 -9.320 536 HG LEU 71 HG LEU 71 6.842 2.225 -10.618 537 1HD1 LEU 71 1HD1 LEU 71 4.388 0.732 -11.338 538 2HD1 LEU 71 2HD1 LEU 71 5.402 1.793 -12.316 539 3HD1 LEU 71 3HD1 LEU 71 4.252 2.482 -11.170 540 1HD2 LEU 71 1HD2 LEU 71 4.599 2.870 -9.216 541 2HD2 LEU 71 2HD2 LEU 71 6.241 2.930 -8.576 542 3HD2 LEU 71 3HD2 LEU 71 5.229 1.516 -8.277 543 H SER 72 H SER 72 8.843 -1.274 -7.471 544 HA SER 72 HA SER 72 9.772 -3.518 -8.978 545 1HB SER 72 2HB SER 72 10.026 -4.457 -6.529 546 2HB SER 72 3HB SER 72 11.085 -3.169 -7.102 547 HG SER 72 HG SER 72 10.177 -2.722 -5.036 548 H THR 73 H THR 73 6.851 -2.721 -7.308 549 HA THR 73 HA THR 73 5.686 -5.259 -8.155 550 HB THR 73 HB THR 73 4.874 -4.424 -5.434 551 HG1 THR 73 HG1 THR 73 7.370 -5.712 -5.937 552 1HG2 THR 73 1HG2 THR 73 4.410 -6.674 -5.153 553 2HG2 THR 73 2HG2 THR 73 5.650 -7.180 -6.300 554 3HG2 THR 73 3HG2 THR 73 4.144 -6.470 -6.883 555 H GLY 74 H GLY 74 3.465 -5.181 -8.520 556 1HA GLY 74 2HA GLY 74 1.322 -4.167 -8.450 557 2HA GLY 74 3HA GLY 74 2.082 -2.655 -7.974 558 H MET 75 H MET 75 3.398 -4.485 -10.611 559 HA MET 75 HA MET 75 2.271 -2.515 -12.492 560 1HB MET 75 2HB MET 75 5.040 -3.477 -12.083 561 2HB MET 75 3HB MET 75 4.524 -3.308 -13.756 562 1HG MET 75 2HG MET 75 3.739 -0.959 -13.032 563 2HG MET 75 3HG MET 75 4.797 -1.212 -11.646 564 1HE MET 75 1HE MET 75 4.511 0.799 -14.082 565 2HE MET 75 2HE MET 75 6.075 1.083 -14.846 566 3HE MET 75 3HE MET 75 4.935 -0.056 -15.566 567 HA PRO 76 HA PRO 76 0.758 -6.602 -13.910 568 1HB PRO 76 2HB PRO 76 -1.549 -5.616 -14.948 569 2HB PRO 76 3HB PRO 76 -1.363 -6.027 -13.239 570 1HG PRO 76 2HG PRO 76 -1.201 -3.352 -14.574 571 2HG PRO 76 3HG PRO 76 -1.999 -3.797 -13.054 572 1HD PRO 76 2HD PRO 76 0.425 -2.593 -13.128 573 2HD PRO 76 3HD PRO 76 -0.029 -3.748 -11.859 574 H ARG 77 H ARG 77 1.687 -7.292 -15.728 575 HA ARG 77 HA ARG 77 1.213 -5.826 -18.211 576 1HB ARG 77 2HB ARG 77 3.623 -5.577 -16.907 577 2HB ARG 77 3HB ARG 77 3.938 -6.886 -18.039 578 1HG ARG 77 2HG ARG 77 4.558 -4.951 -19.182 579 2HG ARG 77 3HG ARG 77 2.964 -5.352 -19.825 580 1HD ARG 77 2HD ARG 77 2.575 -3.705 -17.559 581 2HD ARG 77 3HD ARG 77 3.834 -2.957 -18.540 582 HE ARG 77 HE ARG 77 1.940 -3.546 -20.362 583 1HH1 ARG 77 1HH1 ARG 77 1.834 -1.911 -17.290 584 2HH1 ARG 77 2HH1 ARG 77 0.511 -0.884 -17.735 585 1HH2 ARG 77 1HH2 ARG 77 0.199 -2.200 -20.960 586 2HH2 ARG 77 2HH2 ARG 77 -0.418 -1.050 -19.823 587 H ARG 78 H ARG 78 2.262 -7.208 -20.089 588 HA ARG 78 HA ARG 78 1.116 -9.867 -19.799 589 1HB ARG 78 2HB ARG 78 1.387 -10.004 -22.248 590 2HB ARG 78 3HB ARG 78 0.476 -8.582 -21.757 591 1HG ARG 78 2HG ARG 78 2.570 -7.250 -21.979 592 2HG ARG 78 3HG ARG 78 3.347 -8.686 -22.647 593 1HD ARG 78 2HD ARG 78 2.625 -7.317 -24.469 594 2HD ARG 78 3HD ARG 78 1.582 -8.737 -24.405 595 HE ARG 78 HE ARG 78 0.384 -6.680 -22.929 596 1HH1 ARG 78 1HH1 ARG 78 1.186 -7.477 -26.222 597 2HH1 ARG 78 2HH1 ARG 78 -0.121 -6.562 -26.898 598 1HH2 ARG 78 1HH2 ARG 78 -1.339 -5.472 -23.808 599 2HH2 ARG 78 2HH2 ARG 78 -1.556 -5.421 -25.525 600 H SER 79 H SER 79 4.203 -8.366 -20.684 601 HA SER 79 HA SER 79 5.515 -10.943 -20.126 602 1HB SER 79 2HB SER 79 6.374 -8.955 -22.242 603 2HB SER 79 3HB SER 79 7.119 -10.517 -21.902 604 HG SER 79 HG SER 79 5.661 -11.424 -23.101 605 H ARG 80 H ARG 80 8.092 -10.319 -20.131 606 HA ARG 80 HA ARG 80 9.777 -9.402 -18.910 607 1HB ARG 80 2HB ARG 80 8.050 -6.934 -18.703 608 2HB ARG 80 3HB ARG 80 9.801 -7.030 -18.565 609 1HG ARG 80 2HG ARG 80 9.778 -7.863 -20.973 610 2HG ARG 80 3HG ARG 80 8.103 -7.310 -21.020 611 1HD ARG 80 2HD ARG 80 8.715 -5.073 -20.681 612 2HD ARG 80 3HD ARG 80 10.327 -5.510 -20.115 613 HE ARG 80 HE ARG 80 11.034 -5.535 -22.287 614 1HH1 ARG 80 1HH1 ARG 80 7.557 -5.717 -22.232 615 2HH1 ARG 80 2HH1 ARG 80 7.392 -5.561 -23.950 616 1HH2 ARG 80 1HH2 ARG 80 10.829 -5.329 -24.549 617 2HH2 ARG 80 2HH2 ARG 80 9.254 -5.342 -25.267 618 H PHE 81 H PHE 81 7.210 -10.571 -17.670 619 HA PHE 81 HA PHE 81 7.917 -9.853 -14.915 620 1HB PHE 81 2HB PHE 81 5.217 -9.713 -16.191 621 2HB PHE 81 3HB PHE 81 5.330 -10.197 -14.502 622 HD1 PHE 81 HD1 PHE 81 5.423 -7.466 -16.832 623 HD2 PHE 81 HD2 PHE 81 6.408 -8.640 -12.861 624 HE1 PHE 81 HE1 PHE 81 5.564 -5.100 -16.171 625 HE2 PHE 81 HE2 PHE 81 6.549 -6.276 -12.194 626 HZ PHE 81 HZ PHE 81 6.126 -4.503 -13.849 627 H ASP 82 H ASP 82 8.469 -11.614 -13.834 628 HA ASP 82 HA ASP 82 7.687 -14.233 -14.839 629 1HB ASP 82 2HB ASP 82 10.004 -13.223 -13.638 630 2HB ASP 82 3HB ASP 82 9.291 -14.283 -12.426 631 H ARG 83 H ARG 83 7.436 -12.320 -11.865 632 HA ARG 83 HA ARG 83 5.541 -14.293 -10.797 633 1HB ARG 83 2HB ARG 83 7.526 -12.506 -9.606 634 2HB ARG 83 3HB ARG 83 5.964 -12.433 -8.801 635 1HG ARG 83 2HG ARG 83 6.112 -14.555 -8.012 636 2HG ARG 83 3HG ARG 83 7.063 -15.118 -9.387 637 1HD ARG 83 2HD ARG 83 8.458 -13.124 -7.795 638 2HD ARG 83 3HD ARG 83 8.019 -14.553 -6.860 639 HE ARG 83 HE ARG 83 10.014 -14.378 -8.899 640 1HH1 ARG 83 1HH1 ARG 83 7.735 -16.513 -7.359 641 2HH1 ARG 83 2HH1 ARG 83 8.622 -17.950 -7.745 642 1HH2 ARG 83 1HH2 ARG 83 11.190 -16.264 -9.413 643 2HH2 ARG 83 2HH2 ARG 83 10.588 -17.807 -8.913 644 HA PRO 84 HA PRO 84 2.054 -11.671 -11.257 645 1HB PRO 84 2HB PRO 84 0.690 -12.098 -8.949 646 2HB PRO 84 3HB PRO 84 0.807 -13.307 -10.233 647 1HG PRO 84 2HG PRO 84 2.370 -13.089 -7.690 648 2HG PRO 84 3HG PRO 84 1.664 -14.528 -8.449 649 1HD PRO 84 2HD PRO 84 4.293 -13.913 -8.657 650 2HD PRO 84 3HD PRO 84 3.401 -14.744 -9.948 651 HA PRO 85 HA PRO 85 3.045 -7.803 -9.346 652 1HB PRO 85 2HB PRO 85 0.849 -6.422 -10.145 653 2HB PRO 85 3HB PRO 85 2.178 -6.829 -11.237 654 1HG PRO 85 2HG PRO 85 -0.466 -8.187 -10.884 655 2HG PRO 85 3HG PRO 85 0.402 -7.801 -12.381 656 1HD PRO 85 2HD PRO 85 0.416 -10.278 -11.286 657 2HD PRO 85 3HD PRO 85 1.798 -9.626 -12.191 658 H ALA 86 H ALA 86 2.353 -6.436 -7.645 659 HA ALA 86 HA ALA 86 0.688 -7.762 -5.698 660 1HB ALA 86 1HB ALA 86 1.265 -5.542 -4.420 661 2HB ALA 86 2HB ALA 86 2.482 -6.799 -4.646 662 3HB ALA 86 3HB ALA 86 2.475 -5.380 -5.693 663 H ARG 87 H ARG 87 -1.045 -7.374 -7.596 664 HA ARG 87 HA ARG 87 -2.467 -4.866 -7.016 665 1HB ARG 87 2HB ARG 87 -2.899 -6.772 -9.322 666 2HB ARG 87 3HB ARG 87 -3.652 -5.198 -9.108 667 1HG ARG 87 2HG ARG 87 -0.676 -5.475 -9.284 668 2HG ARG 87 3HG ARG 87 -1.681 -5.403 -10.733 669 1HD ARG 87 2HD ARG 87 -2.116 -3.345 -8.638 670 2HD ARG 87 3HD ARG 87 -0.651 -3.228 -9.611 671 HE ARG 87 HE ARG 87 -3.039 -3.583 -11.167 672 1HH1 ARG 87 1HH1 ARG 87 -0.975 -1.269 -9.585 673 2HH1 ARG 87 2HH1 ARG 87 -1.466 0.053 -10.592 674 1HH2 ARG 87 1HH2 ARG 87 -3.694 -1.852 -12.499 675 2HH2 ARG 87 2HH2 ARG 87 -3.013 -0.280 -12.249 676 H ARG 88 H ARG 88 -2.392 -7.622 -5.603 677 HA ARG 88 HA ARG 88 -3.834 -8.959 -4.459 678 1HB ARG 88 2HB ARG 88 -5.495 -6.483 -4.854 679 2HB ARG 88 3HB ARG 88 -6.129 -7.881 -3.995 680 1HG ARG 88 2HG ARG 88 -3.493 -7.007 -3.077 681 2HG ARG 88 3HG ARG 88 -4.777 -5.818 -2.853 682 1HD ARG 88 2HD ARG 88 -6.135 -7.594 -1.755 683 2HD ARG 88 3HD ARG 88 -4.738 -8.664 -1.862 684 HE ARG 88 HE ARG 88 -3.767 -7.528 -0.118 685 1HH1 ARG 88 1HH1 ARG 88 -6.500 -5.728 -1.305 686 2HH1 ARG 88 2HH1 ARG 88 -6.488 -4.594 0.005 687 1HH2 ARG 88 1HH2 ARG 88 -3.741 -6.042 1.612 688 2HH2 ARG 88 2HH2 ARG 88 -4.917 -4.774 1.663 689 H LYS 89 H LYS 89 -6.321 -9.763 -4.581 690 HA LYS 89 HA LYS 89 -6.873 -10.363 -7.412 691 1HB LYS 89 2HB LYS 89 -5.955 -12.185 -5.541 692 2HB LYS 89 3HB LYS 89 -7.692 -12.455 -5.546 693 1HG LYS 89 2HG LYS 89 -7.647 -13.437 -7.548 694 2HG LYS 89 3HG LYS 89 -6.549 -12.229 -8.219 695 1HD LYS 89 2HD LYS 89 -4.674 -13.407 -7.627 696 2HD LYS 89 3HD LYS 89 -5.467 -14.190 -6.258 697 1HE LYS 89 2HE LYS 89 -6.751 -14.972 -8.697 698 2HE LYS 89 3HE LYS 89 -5.013 -15.235 -8.834 699 1HZ LYS 89 1HZ LYS 89 -6.912 -16.751 -7.414 700 2HZ LYS 89 2HZ LYS 89 -5.785 -16.128 -6.317 701 3HZ LYS 89 3HZ LYS 89 -5.263 -17.059 -7.630 702 H LEU 90 H LEU 90 -9.171 -11.726 -7.259 703 HA LEU 90 HA LEU 90 -11.424 -11.521 -7.041 704 1HB LEU 90 2HB LEU 90 -10.672 -11.645 -4.583 705 2HB LEU 90 3HB LEU 90 -10.976 -9.909 -4.552 706 HG LEU 90 HG LEU 90 -13.334 -10.725 -5.507 707 1HD1 LEU 90 1HD1 LEU 90 -14.050 -12.784 -4.585 708 2HD1 LEU 90 2HD1 LEU 90 -12.556 -12.976 -3.669 709 3HD1 LEU 90 3HD1 LEU 90 -12.536 -13.113 -5.428 710 1HD2 LEU 90 1HD2 LEU 90 -12.249 -10.152 -2.848 711 2HD2 LEU 90 2HD2 LEU 90 -13.771 -11.043 -2.835 712 3HD2 LEU 90 3HD2 LEU 90 -13.665 -9.490 -3.666 713 H LEU 91 H LEU 91 -10.231 -9.711 -8.713 714 HA LEU 91 HA LEU 91 -12.188 -7.633 -8.787 715 1HB LEU 91 2HB LEU 91 -10.150 -6.976 -7.191 716 2HB LEU 91 3HB LEU 91 -9.448 -6.506 -8.738 717 HG LEU 91 HG LEU 91 -10.486 -4.610 -7.596 718 1HD1 LEU 91 1HD1 LEU 91 -11.307 -3.698 -9.499 719 2HD1 LEU 91 2HD1 LEU 91 -12.347 -5.078 -9.847 720 3HD1 LEU 91 3HD1 LEU 91 -10.622 -5.164 -10.201 721 1HD2 LEU 91 1HD2 LEU 91 -12.359 -4.896 -6.444 722 2HD2 LEU 91 2HD2 LEU 91 -12.570 -6.513 -7.116 723 3HD2 LEU 91 3HD2 LEU 91 -13.228 -5.113 -7.963 724 H GLU 92 H GLU 92 -8.909 -8.422 -9.946 725 HA GLU 92 HA GLU 92 -9.650 -7.577 -12.634 726 1HB GLU 92 2HB GLU 92 -7.352 -7.236 -11.311 727 2HB GLU 92 3HB GLU 92 -6.990 -8.780 -12.069 728 1HG GLU 92 2HG GLU 92 -6.981 -7.905 -14.179 729 2HG GLU 92 3HG GLU 92 -8.079 -6.591 -13.759 730 H VAL 93 H VAL 93 -9.080 -10.472 -10.793 731 HA VAL 93 HA VAL 93 -9.256 -12.117 -13.219 732 HB VAL 93 HB VAL 93 -8.641 -13.059 -10.419 733 1HG1 VAL 93 1HG1 VAL 93 -8.830 -14.326 -13.074 734 2HG1 VAL 93 2HG1 VAL 93 -7.451 -14.809 -12.084 735 3HG1 VAL 93 3HG1 VAL 93 -9.092 -15.006 -11.468 736 1HG2 VAL 93 1HG2 VAL 93 -6.763 -11.830 -10.693 737 2HG2 VAL 93 2HG2 VAL 93 -6.269 -13.209 -11.675 738 3HG2 VAL 93 3HG2 VAL 93 -6.929 -11.767 -12.447 739 H LEU 94 H LEU 94 -10.754 -13.832 -13.364 740 HA LEU 94 HA LEU 94 -12.791 -14.175 -11.363 741 1HB LEU 94 2HB LEU 94 -14.654 -13.400 -12.576 742 2HB LEU 94 3HB LEU 94 -13.459 -12.106 -12.631 743 HG LEU 94 HG LEU 94 -14.362 -12.154 -14.781 744 1HD1 LEU 94 1HD1 LEU 94 -12.556 -12.725 -16.190 745 2HD1 LEU 94 2HD1 LEU 94 -11.983 -13.968 -15.078 746 3HD1 LEU 94 3HD1 LEU 94 -11.842 -12.264 -14.644 747 1HD2 LEU 94 1HD2 LEU 94 -13.928 -15.017 -15.336 748 2HD2 LEU 94 2HD2 LEU 94 -15.234 -13.945 -15.841 749 3HD2 LEU 94 3HD2 LEU 94 -15.236 -14.634 -14.216 750 H PHE 95 H PHE 95 -14.513 -15.740 -12.180 751 HA PHE 95 HA PHE 95 -13.888 -17.379 -14.433 752 1HB PHE 95 2HB PHE 95 -12.598 -18.001 -11.955 753 2HB PHE 95 3HB PHE 95 -13.766 -19.267 -12.316 754 HD1 PHE 95 HD1 PHE 95 -10.598 -17.776 -13.196 755 HD2 PHE 95 HD2 PHE 95 -13.592 -20.535 -14.438 756 HE1 PHE 95 HE1 PHE 95 -9.009 -18.779 -14.785 757 HE2 PHE 95 HE2 PHE 95 -12.008 -21.543 -16.028 758 HZ PHE 95 HZ PHE 95 -9.713 -20.666 -16.202 759 H ASN 96 H ASN 96 -15.704 -18.318 -15.125 760 HA ASN 96 HA ASN 96 -17.818 -18.955 -13.200 761 1HB ASN 96 2HB ASN 96 -19.491 -17.980 -14.855 762 2HB ASN 96 3HB ASN 96 -18.534 -16.818 -13.942 763 1HD2 ASN 96 1HD2 ASN 96 -16.894 -15.669 -14.988 764 2HD2 ASN 96 2HD2 ASN 96 -16.844 -15.527 -16.709 765 H GLY 97 H GLY 97 -15.891 -20.513 -14.818 766 1HA GLY 97 2HA GLY 97 -15.980 -22.583 -15.835 767 2HA GLY 97 3HA GLY 97 -17.733 -22.491 -15.763 768 HA PRO 98 HA PRO 98 -16.402 -20.203 -19.820 769 1HB PRO 98 2HB PRO 98 -13.808 -20.497 -20.567 770 2HB PRO 98 3HB PRO 98 -14.369 -19.166 -19.549 771 1HG PRO 98 2HG PRO 98 -13.024 -21.719 -18.755 772 2HG PRO 98 3HG PRO 98 -12.735 -20.072 -18.165 773 1HD PRO 98 2HD PRO 98 -14.212 -21.876 -16.787 774 2HD PRO 98 3HD PRO 98 -14.543 -20.132 -16.736 775 H LEU 99 H LEU 99 -15.057 -23.287 -18.888 776 HA LEU 99 HA LEU 99 -15.350 -24.315 -21.616 777 1HB LEU 99 2HB LEU 99 -13.584 -24.865 -19.433 778 2HB LEU 99 3HB LEU 99 -14.447 -26.339 -19.870 779 HG LEU 99 HG LEU 99 -13.688 -25.780 -22.284 780 1HD1 LEU 99 1HD1 LEU 99 -12.106 -23.880 -20.639 781 2HD1 LEU 99 2HD1 LEU 99 -12.739 -23.709 -22.276 782 3HD1 LEU 99 3HD1 LEU 99 -11.301 -24.688 -21.985 783 1HD2 LEU 99 1HD2 LEU 99 -11.390 -26.800 -21.715 784 2HD2 LEU 99 2HD2 LEU 99 -12.842 -27.727 -21.337 785 3HD2 LEU 99 3HD2 LEU 99 -11.994 -26.855 -20.059 786 H GLU 100 H GLU 100 -16.722 -25.991 -22.133 787 HA GLU 100 HA GLU 100 -18.933 -26.395 -20.284 788 1HB GLU 100 2HB GLU 100 -20.129 -27.315 -22.164 789 2HB GLU 100 3HB GLU 100 -19.360 -25.814 -22.661 790 1HG GLU 100 2HG GLU 100 -18.267 -26.840 -24.285 791 2HG GLU 100 3HG GLU 100 -17.607 -28.027 -23.160 792 H HIS 101 H HIS 101 -16.073 -27.762 -20.470 793 HA HIS 101 HA HIS 101 -15.173 -29.772 -19.899 794 1HB HIS 101 2HB HIS 101 -16.453 -29.677 -17.903 795 2HB HIS 101 3HB HIS 101 -17.946 -30.065 -18.752 796 HD1 HIS 101 HD1 HIS 101 -18.620 -32.458 -18.749 797 HD2 HIS 101 HD2 HIS 101 -14.604 -31.961 -17.807 798 HE1 HIS 101 HE1 HIS 101 -17.790 -34.746 -18.114 Start of MODEL 5 1 1H MET 1 H MET 1 0.654 1.990 -1.737 2 HA MET 1 HA MET 1 1.453 -0.648 -0.696 3 1HB MET 1 2HB MET 1 2.016 -1.386 -2.851 4 2HB MET 1 3HB MET 1 0.483 -0.552 -3.069 5 1HG MET 1 2HG MET 1 2.251 1.464 -3.490 6 2HG MET 1 3HG MET 1 3.143 0.078 -4.113 7 1HE MET 1 1HE MET 1 0.201 -1.544 -4.778 8 2HE MET 1 2HE MET 1 0.217 -1.330 -6.528 9 3HE MET 1 3HE MET 1 1.697 -1.783 -5.682 10 H LYS 2 H LYS 2 3.852 -1.032 -1.743 11 HA LYS 2 HA LYS 2 5.464 1.010 -0.448 12 1HB LYS 2 2HB LYS 2 6.009 -1.761 -1.474 13 2HB LYS 2 3HB LYS 2 7.332 -0.679 -1.060 14 1HG LYS 2 2HG LYS 2 5.606 -0.559 1.119 15 2HG LYS 2 3HG LYS 2 5.645 -2.262 0.655 16 1HD LYS 2 2HD LYS 2 8.253 -1.752 0.508 17 2HD LYS 2 3HD LYS 2 7.813 -0.516 1.689 18 1HE LYS 2 2HE LYS 2 7.436 -2.028 3.306 19 2HE LYS 2 3HE LYS 2 6.642 -3.152 2.205 20 1HZ LYS 2 1HZ LYS 2 9.221 -3.309 3.244 21 2HZ LYS 2 2HZ LYS 2 9.379 -3.040 1.582 22 3HZ LYS 2 3HZ LYS 2 8.480 -4.358 2.144 23 H VAL 3 H VAL 3 7.079 2.203 -1.435 24 HA VAL 3 HA VAL 3 7.159 2.103 -4.378 25 HB VAL 3 HB VAL 3 7.407 4.674 -2.835 26 1HG1 VAL 3 1HG1 VAL 3 8.254 5.001 -4.965 27 2HG1 VAL 3 2HG1 VAL 3 7.090 3.903 -5.708 28 3HG1 VAL 3 3HG1 VAL 3 6.571 5.493 -5.148 29 1HG2 VAL 3 1HG2 VAL 3 5.001 3.126 -3.411 30 2HG2 VAL 3 2HG2 VAL 3 5.239 4.483 -2.311 31 3HG2 VAL 3 3HG2 VAL 3 4.937 4.778 -4.023 32 H TYR 4 H TYR 4 9.132 2.455 -5.346 33 HA TYR 4 HA TYR 4 11.436 2.803 -3.544 34 1HB TYR 4 2HB TYR 4 12.054 0.712 -4.065 35 2HB TYR 4 3HB TYR 4 10.802 0.580 -5.295 36 HD1 TYR 4 HD1 TYR 4 14.205 1.985 -4.725 37 HD2 TYR 4 HD2 TYR 4 11.392 0.493 -7.547 38 HE1 TYR 4 HE1 TYR 4 15.930 2.065 -6.477 39 HE2 TYR 4 HE2 TYR 4 13.108 0.568 -9.307 40 HH TYR 4 HH TYR 4 16.123 0.571 -8.938 41 H VAL 5 H VAL 5 12.563 4.555 -4.029 42 HA VAL 5 HA VAL 5 12.603 5.479 -6.829 43 HB VAL 5 HB VAL 5 13.014 7.778 -5.843 44 1HG1 VAL 5 1HG1 VAL 5 10.525 6.261 -5.997 45 2HG1 VAL 5 2HG1 VAL 5 10.424 7.679 -4.952 46 3HG1 VAL 5 3HG1 VAL 5 10.923 7.856 -6.635 47 1HG2 VAL 5 1HG2 VAL 5 13.121 6.328 -3.457 48 2HG2 VAL 5 2HG2 VAL 5 13.138 8.082 -3.642 49 3HG2 VAL 5 3HG2 VAL 5 11.611 7.237 -3.386 50 H GLY 6 H GLY 6 14.529 4.800 -7.587 51 1HA GLY 6 2HA GLY 6 16.912 5.268 -5.913 52 2HA GLY 6 3HA GLY 6 16.808 4.080 -7.204 53 H ASN 7 H ASN 7 18.897 5.231 -7.731 54 HA ASN 7 HA ASN 7 20.088 6.544 -9.155 55 1HB ASN 7 2HB ASN 7 17.336 6.893 -10.347 56 2HB ASN 7 3HB ASN 7 18.779 7.607 -11.062 57 1HD2 ASN 7 1HD2 ASN 7 17.850 4.463 -9.693 58 2HD2 ASN 7 2HD2 ASN 7 18.475 3.521 -10.999 59 H LEU 8 H LEU 8 20.209 7.793 -7.019 60 HA LEU 8 HA LEU 8 19.082 10.490 -7.377 61 1HB LEU 8 2HB LEU 8 20.148 9.363 -4.804 62 2HB LEU 8 3HB LEU 8 19.147 10.795 -5.034 63 HG LEU 8 HG LEU 8 18.111 8.051 -5.673 64 1HD1 LEU 8 1HD1 LEU 8 17.754 7.516 -3.534 65 2HD1 LEU 8 2HD1 LEU 8 17.312 9.166 -3.096 66 3HD1 LEU 8 3HD1 LEU 8 19.011 8.698 -3.171 67 1HD2 LEU 8 1HD2 LEU 8 17.089 10.519 -6.152 68 2HD2 LEU 8 2HD2 LEU 8 16.386 10.158 -4.575 69 3HD2 LEU 8 3HD2 LEU 8 16.122 9.061 -5.931 70 H GLY 9 H GLY 9 20.608 11.606 -8.467 71 1HA GLY 9 2HA GLY 9 23.413 11.222 -8.068 72 2HA GLY 9 3HA GLY 9 22.662 12.495 -9.018 73 H THR 10 H THR 10 22.669 14.511 -8.235 74 HA THR 10 HA THR 10 23.129 14.911 -5.364 75 HB THR 10 HB THR 10 25.323 15.095 -6.437 76 HG1 THR 10 HG1 THR 10 25.188 16.480 -4.755 77 1HG2 THR 10 1HG2 THR 10 25.164 17.500 -7.858 78 2HG2 THR 10 2HG2 THR 10 23.809 16.527 -8.431 79 3HG2 THR 10 3HG2 THR 10 25.451 15.890 -8.517 80 H GLY 11 H GLY 11 21.088 15.403 -7.770 81 1HA GLY 11 2HA GLY 11 20.348 18.106 -6.829 82 2HA GLY 11 3HA GLY 11 20.165 17.610 -8.505 83 H ALA 12 H ALA 12 19.365 14.865 -7.343 84 HA ALA 12 HA ALA 12 16.628 15.590 -6.537 85 1HB ALA 12 1HB ALA 12 15.992 13.461 -7.894 86 2HB ALA 12 2HB ALA 12 16.232 14.996 -8.729 87 3HB ALA 12 3HB ALA 12 17.507 13.777 -8.741 88 H GLY 13 H GLY 13 16.569 14.962 -4.458 89 1HA GLY 13 2HA GLY 13 17.178 12.139 -3.897 90 2HA GLY 13 3HA GLY 13 17.878 13.386 -2.876 91 H LYS 14 H LYS 14 16.857 13.484 -0.999 92 HA LYS 14 HA LYS 14 14.298 12.439 -0.507 93 1HB LYS 14 2HB LYS 14 16.155 12.867 1.174 94 2HB LYS 14 3HB LYS 14 15.661 14.555 1.158 95 1HG LYS 14 2HG LYS 14 13.400 12.812 1.580 96 2HG LYS 14 3HG LYS 14 14.666 12.531 2.777 97 1HD LYS 14 2HD LYS 14 14.705 15.131 2.943 98 2HD LYS 14 3HD LYS 14 13.100 15.018 2.218 99 1HE LYS 14 2HE LYS 14 12.470 13.436 4.042 100 2HE LYS 14 3HE LYS 14 14.031 13.759 4.795 101 1HZ LYS 14 1HZ LYS 14 12.787 16.205 4.212 102 2HZ LYS 14 2HZ LYS 14 13.179 15.560 5.726 103 3HZ LYS 14 3HZ LYS 14 11.672 15.230 5.031 104 H GLY 15 H GLY 15 15.394 15.794 -0.943 105 1HA GLY 15 2HA GLY 15 12.881 17.007 -0.551 106 2HA GLY 15 3HA GLY 15 14.234 17.717 -1.418 107 H GLU 16 H GLU 16 14.475 15.839 -3.491 108 HA GLU 16 HA GLU 16 12.588 16.825 -5.323 109 1HB GLU 16 2HB GLU 16 14.961 15.392 -5.469 110 2HB GLU 16 3HB GLU 16 13.762 14.281 -6.116 111 1HG GLU 16 2HG GLU 16 14.397 15.376 -8.013 112 2HG GLU 16 3HG GLU 16 13.021 16.358 -7.514 113 H LEU 17 H LEU 17 12.925 13.532 -3.993 114 HA LEU 17 HA LEU 17 10.542 12.540 -5.115 115 1HB LEU 17 2HB LEU 17 10.931 10.610 -3.914 116 2HB LEU 17 3HB LEU 17 12.547 11.294 -4.071 117 HG LEU 17 HG LEU 17 11.912 12.328 -1.701 118 1HD1 LEU 17 1HD1 LEU 17 9.827 11.554 -1.208 119 2HD1 LEU 17 2HD1 LEU 17 10.791 10.241 -0.533 120 3HD1 LEU 17 3HD1 LEU 17 10.041 10.059 -2.119 121 1HD2 LEU 17 1HD2 LEU 17 13.010 9.622 -2.389 122 2HD2 LEU 17 2HD2 LEU 17 12.928 10.186 -0.719 123 3HD2 LEU 17 3HD2 LEU 17 13.875 11.082 -1.908 124 H GLU 18 H GLU 18 11.209 14.294 -2.169 125 HA GLU 18 HA GLU 18 8.804 13.749 -0.806 126 1HB GLU 18 2HB GLU 18 10.692 14.707 0.362 127 2HB GLU 18 3HB GLU 18 10.654 16.133 -0.665 128 1HG GLU 18 2HG GLU 18 9.710 16.662 1.475 129 2HG GLU 18 3HG GLU 18 8.443 16.705 0.250 130 H ARG 19 H ARG 19 9.737 16.539 -2.818 131 HA ARG 19 HA ARG 19 7.227 17.813 -2.720 132 1HB ARG 19 2HB ARG 19 9.213 19.033 -3.371 133 2HB ARG 19 3HB ARG 19 9.443 17.987 -4.766 134 1HG ARG 19 2HG ARG 19 8.240 19.380 -5.989 135 2HG ARG 19 3HG ARG 19 6.843 19.069 -4.956 136 1HD ARG 19 2HD ARG 19 8.962 21.173 -4.534 137 2HD ARG 19 3HD ARG 19 7.300 21.447 -5.053 138 HE ARG 19 HE ARG 19 7.096 20.132 -2.657 139 1HH1 ARG 19 1HH1 ARG 19 8.579 23.078 -3.771 140 2HH1 ARG 19 2HH1 ARG 19 8.396 23.897 -2.255 141 1HH2 ARG 19 1HH2 ARG 19 6.850 21.199 -0.656 142 2HH2 ARG 19 2HH2 ARG 19 7.413 22.827 -0.483 143 H ALA 20 H ALA 20 8.637 15.541 -5.041 144 HA ALA 20 HA ALA 20 6.562 15.603 -6.931 145 1HB ALA 20 1HB ALA 20 8.855 13.869 -6.344 146 2HB ALA 20 2HB ALA 20 7.518 13.077 -7.179 147 3HB ALA 20 3HB ALA 20 8.275 14.506 -7.882 148 H PHE 21 H PHE 21 7.216 12.994 -4.583 149 HA PHE 21 HA PHE 21 4.859 11.606 -4.874 150 1HB PHE 21 2HB PHE 21 6.752 11.945 -2.577 151 2HB PHE 21 3HB PHE 21 5.260 11.039 -2.344 152 HD1 PHE 21 HD1 PHE 21 5.395 8.770 -2.596 153 HD2 PHE 21 HD2 PHE 21 8.034 11.247 -4.837 154 HE1 PHE 21 HE1 PHE 21 6.464 6.767 -3.545 155 HE2 PHE 21 HE2 PHE 21 9.106 9.248 -5.790 156 HZ PHE 21 HZ PHE 21 8.321 7.004 -5.145 157 H SER 22 H SER 22 5.530 14.257 -2.604 158 HA SER 22 HA SER 22 3.019 14.300 -1.362 159 1HB SER 22 2HB SER 22 5.043 15.483 -0.518 160 2HB SER 22 3HB SER 22 4.867 16.655 -1.824 161 HG SER 22 HG SER 22 3.911 17.324 0.185 162 H TYR 23 H TYR 23 4.230 16.037 -4.203 163 HA TYR 23 HA TYR 23 2.037 17.681 -4.673 164 1HB TYR 23 2HB TYR 23 4.285 16.634 -6.271 165 2HB TYR 23 3HB TYR 23 2.877 17.133 -7.203 166 HD1 TYR 23 HD1 TYR 23 3.592 19.104 -8.241 167 HD2 TYR 23 HD2 TYR 23 4.197 18.616 -4.058 168 HE1 TYR 23 HE1 TYR 23 4.311 21.450 -8.077 169 HE2 TYR 23 HE2 TYR 23 4.916 20.961 -3.882 170 HH TYR 23 HH TYR 23 4.288 23.230 -5.841 171 H TYR 24 H TYR 24 2.641 14.358 -5.740 172 HA TYR 24 HA TYR 24 0.234 14.148 -7.252 173 1HB TYR 24 2HB TYR 24 2.315 12.220 -6.294 174 2HB TYR 24 3HB TYR 24 0.793 11.600 -6.925 175 HD1 TYR 24 HD1 TYR 24 3.515 13.994 -7.829 176 HD2 TYR 24 HD2 TYR 24 0.619 11.194 -9.196 177 HE1 TYR 24 HE1 TYR 24 4.379 14.229 -10.120 178 HE2 TYR 24 HE2 TYR 24 1.475 11.419 -11.491 179 HH TYR 24 HH TYR 24 4.348 13.329 -12.201 180 H GLY 25 H GLY 25 1.136 13.472 -3.931 181 1HA GLY 25 2HA GLY 25 -1.371 13.712 -2.836 182 2HA GLY 25 3HA GLY 25 -1.244 12.018 -3.286 183 HA PRO 26 HA PRO 26 0.838 13.051 0.889 184 1HB PRO 26 2HB PRO 26 -1.122 12.208 2.566 185 2HB PRO 26 3HB PRO 26 -0.994 13.878 2.002 186 1HG PRO 26 2HG PRO 26 -2.757 11.673 1.007 187 2HG PRO 26 3HG PRO 26 -3.152 13.377 1.297 188 1HD PRO 26 2HD PRO 26 -2.641 12.400 -1.177 189 2HD PRO 26 3HD PRO 26 -2.231 14.061 -0.702 190 H LEU 27 H LEU 27 2.278 11.419 0.890 191 HA LEU 27 HA LEU 27 1.408 8.659 0.700 192 1HB LEU 27 2HB LEU 27 3.952 8.290 0.962 193 2HB LEU 27 3HB LEU 27 3.325 8.977 -0.535 194 HG LEU 27 HG LEU 27 4.033 11.191 0.145 195 1HD1 LEU 27 1HD1 LEU 27 5.364 11.489 2.207 196 2HD1 LEU 27 2HD1 LEU 27 4.953 9.840 2.678 197 3HD1 LEU 27 3HD1 LEU 27 3.684 11.055 2.523 198 1HD2 LEU 27 1HD2 LEU 27 6.157 10.868 -0.509 199 2HD2 LEU 27 2HD2 LEU 27 5.667 9.181 -0.667 200 3HD2 LEU 27 3HD2 LEU 27 6.493 9.727 0.793 201 H ARG 28 H ARG 28 2.915 7.169 2.226 202 HA ARG 28 HA ARG 28 1.938 7.696 4.887 203 1HB ARG 28 2HB ARG 28 1.840 5.430 4.016 204 2HB ARG 28 3HB ARG 28 3.581 5.419 3.769 205 1HG ARG 28 2HG ARG 28 2.944 4.161 5.756 206 2HG ARG 28 3HG ARG 28 3.942 5.557 6.168 207 1HD ARG 28 2HD ARG 28 2.065 6.776 6.952 208 2HD ARG 28 3HD ARG 28 0.936 5.609 6.266 209 HE ARG 28 HE ARG 28 2.330 5.410 8.776 210 1HH1 ARG 28 1HH1 ARG 28 0.716 3.658 6.238 211 2HH1 ARG 28 2HH1 ARG 28 0.332 2.299 7.241 212 1HH2 ARG 28 1HH2 ARG 28 1.830 3.627 10.108 213 2HH2 ARG 28 2HH2 ARG 28 0.965 2.283 9.443 214 H THR 29 H THR 29 5.155 7.135 3.456 215 HA THR 29 HA THR 29 6.377 9.132 5.080 216 HB THR 29 HB THR 29 7.999 7.165 5.996 217 HG1 THR 29 HG1 THR 29 6.962 5.329 5.915 218 1HG2 THR 29 1HG2 THR 29 7.346 7.873 8.054 219 2HG2 THR 29 2HG2 THR 29 5.629 7.689 7.692 220 3HG2 THR 29 3HG2 THR 29 6.508 9.101 7.106 221 H VAL 30 H VAL 30 8.775 9.171 4.772 222 HA VAL 30 HA VAL 30 9.533 7.939 2.203 223 HB VAL 30 HB VAL 30 10.787 9.916 1.612 224 1HG1 VAL 30 1HG1 VAL 30 8.545 9.973 0.848 225 2HG1 VAL 30 2HG1 VAL 30 7.942 10.450 2.436 226 3HG1 VAL 30 3HG1 VAL 30 8.898 11.582 1.478 227 1HG2 VAL 30 1HG2 VAL 30 9.894 10.967 4.290 228 2HG2 VAL 30 2HG2 VAL 30 11.546 10.681 3.743 229 3HG2 VAL 30 3HG2 VAL 30 10.590 11.977 3.023 230 H TRP 31 H TRP 31 11.779 7.494 1.911 231 HA TRP 31 HA TRP 31 13.543 7.711 4.202 232 1HB TRP 31 2HB TRP 31 12.030 5.421 3.991 233 2HB TRP 31 3HB TRP 31 13.527 4.963 3.183 234 HD1 TRP 31 HD1 TRP 31 12.269 6.225 6.605 235 HE1 TRP 31 HE1 TRP 31 13.968 5.507 8.400 236 HE3 TRP 31 HE3 TRP 31 15.873 4.247 3.567 237 HZ2 TRP 31 HZ2 TRP 31 16.501 4.266 8.514 238 HZ3 TRP 31 HZ3 TRP 31 17.904 3.315 4.598 239 HH2 TRP 31 HH2 TRP 31 18.209 3.326 7.020 240 H ILE 32 H ILE 32 15.740 7.378 3.692 241 HA ILE 32 HA ILE 32 16.338 7.045 0.830 242 HB ILE 32 HB ILE 32 17.855 8.988 2.552 243 1HG1 ILE 32 2HG1 ILE 32 15.516 9.719 2.535 244 2HG1 ILE 32 3HG1 ILE 32 16.511 10.795 1.559 245 1HG2 ILE 32 1HG2 ILE 32 18.706 9.823 0.511 246 2HG2 ILE 32 2HG2 ILE 32 18.795 8.066 0.396 247 3HG2 ILE 32 3HG2 ILE 32 17.508 8.939 -0.435 248 1HD1 ILE 32 1HD1 ILE 32 15.304 8.601 0.056 249 2HD1 ILE 32 2HD1 ILE 32 14.145 9.713 0.784 250 3HD1 ILE 32 3HD1 ILE 32 15.387 10.324 -0.309 251 H ALA 33 H ALA 33 18.222 5.974 0.331 252 HA ALA 33 HA ALA 33 19.561 4.664 2.599 253 1HB ALA 33 1HB ALA 33 19.803 3.699 -0.218 254 2HB ALA 33 2HB ALA 33 19.902 2.792 1.292 255 3HB ALA 33 3HB ALA 33 18.339 3.362 0.707 256 H ARG 34 H ARG 34 21.320 5.815 3.134 257 HA ARG 34 HA ARG 34 22.877 7.254 1.204 258 1HB ARG 34 2HB ARG 34 22.621 7.192 4.039 259 2HB ARG 34 3HB ARG 34 24.312 6.912 3.645 260 1HG ARG 34 2HG ARG 34 24.059 8.961 2.100 261 2HG ARG 34 3HG ARG 34 22.608 9.294 3.048 262 1HD ARG 34 2HD ARG 34 24.862 8.647 4.742 263 2HD ARG 34 3HD ARG 34 25.224 10.005 3.678 264 HE ARG 34 HE ARG 34 22.796 10.643 4.676 265 1HH1 ARG 34 1HH1 ARG 34 25.801 9.680 6.146 266 2HH1 ARG 34 2HH1 ARG 34 25.528 10.580 7.602 267 1HH2 ARG 34 1HH2 ARG 34 22.425 11.832 6.587 268 2HH2 ARG 34 2HH2 ARG 34 23.607 11.803 7.852 269 H ASN 35 H ASN 35 22.975 4.097 2.629 270 HA ASN 35 HA ASN 35 25.614 3.368 2.431 271 1HB ASN 35 2HB ASN 35 23.087 2.014 2.585 272 2HB ASN 35 3HB ASN 35 24.130 1.170 1.444 273 1HD2 ASN 35 1HD2 ASN 35 24.637 -0.583 2.623 274 2HD2 ASN 35 2HD2 ASN 35 25.491 -0.536 4.124 275 HA PRO 36 HA PRO 36 25.032 2.140 -2.200 276 1HB PRO 36 2HB PRO 36 22.721 2.885 -3.415 277 2HB PRO 36 3HB PRO 36 22.909 1.345 -2.569 278 1HG PRO 36 2HG PRO 36 21.649 3.887 -1.616 279 2HG PRO 36 3HG PRO 36 21.085 2.218 -1.421 280 1HD PRO 36 2HD PRO 36 22.354 3.566 0.555 281 2HD PRO 36 3HD PRO 36 22.507 1.810 0.346 282 HA PRO 37 HA PRO 37 26.226 5.978 -3.985 283 1HB PRO 37 2HB PRO 37 25.844 5.567 -6.641 284 2HB PRO 37 3HB PRO 37 27.143 4.793 -5.727 285 1HG PRO 37 2HG PRO 37 24.485 3.688 -6.547 286 2HG PRO 37 3HG PRO 37 26.080 2.914 -6.591 287 1HD PRO 37 2HD PRO 37 24.279 2.429 -4.628 288 2HD PRO 37 3HD PRO 37 26.031 2.399 -4.345 289 H GLY 38 H GLY 38 23.022 4.793 -4.684 290 1HA GLY 38 2HA GLY 38 21.801 7.300 -4.367 291 2HA GLY 38 3HA GLY 38 21.998 7.003 -6.088 292 H PHE 39 H PHE 39 20.640 5.625 -3.121 293 HA PHE 39 HA PHE 39 18.404 4.600 -4.709 294 1HB PHE 39 2HB PHE 39 20.423 2.965 -3.492 295 2HB PHE 39 3HB PHE 39 18.887 2.685 -2.678 296 HD1 PHE 39 HD1 PHE 39 20.185 3.074 -6.156 297 HD2 PHE 39 HD2 PHE 39 17.556 1.020 -3.513 298 HE1 PHE 39 HE1 PHE 39 19.481 1.607 -8.002 299 HE2 PHE 39 HE2 PHE 39 16.849 -0.450 -5.354 300 HZ PHE 39 HZ PHE 39 17.812 -0.159 -7.601 301 H ALA 40 H ALA 40 16.501 5.071 -3.819 302 HA ALA 40 HA ALA 40 16.366 5.551 -0.921 303 1HB ALA 40 1HB ALA 40 14.589 7.374 -1.779 304 2HB ALA 40 2HB ALA 40 16.283 7.744 -1.451 305 3HB ALA 40 3HB ALA 40 15.752 7.437 -3.104 306 H PHE 41 H PHE 41 14.246 5.319 -0.001 307 HA PHE 41 HA PHE 41 12.363 3.808 -1.684 308 1HB PHE 41 2HB PHE 41 12.947 3.167 1.210 309 2HB PHE 41 3HB PHE 41 11.949 2.244 0.091 310 HD1 PHE 41 HD1 PHE 41 13.167 1.340 -2.026 311 HD2 PHE 41 HD2 PHE 41 15.140 2.551 1.546 312 HE1 PHE 41 HE1 PHE 41 15.122 -0.018 -2.649 313 HE2 PHE 41 HE2 PHE 41 17.098 1.196 0.928 314 HZ PHE 41 HZ PHE 41 17.092 -0.090 -1.172 315 H VAL 42 H VAL 42 10.176 4.076 -1.237 316 HA VAL 42 HA VAL 42 9.466 6.045 0.823 317 HB VAL 42 HB VAL 42 8.471 6.137 -2.029 318 1HG1 VAL 42 1HG1 VAL 42 6.675 6.884 -0.770 319 2HG1 VAL 42 2HG1 VAL 42 7.708 7.615 0.459 320 3HG1 VAL 42 3HG1 VAL 42 7.540 8.380 -1.122 321 1HG2 VAL 42 1HG2 VAL 42 10.100 8.226 -0.609 322 2HG2 VAL 42 2HG2 VAL 42 10.839 6.942 -1.566 323 3HG2 VAL 42 3HG2 VAL 42 9.746 8.095 -2.332 324 H GLU 43 H GLU 43 7.347 5.888 1.624 325 HA GLU 43 HA GLU 43 5.941 3.406 0.880 326 1HB GLU 43 2HB GLU 43 7.046 3.464 3.168 327 2HB GLU 43 3HB GLU 43 5.872 4.697 3.605 328 1HG GLU 43 2HG GLU 43 4.062 3.191 3.352 329 2HG GLU 43 3HG GLU 43 5.092 1.980 2.590 330 H PHE 44 H PHE 44 3.909 3.611 0.204 331 HA PHE 44 HA PHE 44 2.587 6.214 0.570 332 1HB PHE 44 2HB PHE 44 2.980 4.574 -1.732 333 2HB PHE 44 3HB PHE 44 1.253 4.647 -1.399 334 HD1 PHE 44 HD1 PHE 44 3.862 6.181 -3.100 335 HD2 PHE 44 HD2 PHE 44 0.400 7.105 -0.803 336 HE1 PHE 44 HE1 PHE 44 3.761 8.403 -4.152 337 HE2 PHE 44 HE2 PHE 44 0.293 9.327 -1.852 338 HZ PHE 44 HZ PHE 44 1.974 9.979 -3.529 339 H GLU 45 H GLU 45 0.869 6.305 1.849 340 HA GLU 45 HA GLU 45 -0.094 4.250 3.393 341 1HB GLU 45 2HB GLU 45 -0.547 6.719 3.666 342 2HB GLU 45 3HB GLU 45 -1.791 6.555 2.435 343 1HG GLU 45 2HG GLU 45 -3.125 5.202 3.798 344 2HG GLU 45 3HG GLU 45 -1.799 4.867 4.911 345 H ASP 46 H ASP 46 -1.128 5.224 0.177 346 HA ASP 46 HA ASP 46 -2.822 2.815 0.069 347 1HB ASP 46 2HB ASP 46 -3.502 5.587 -0.480 348 2HB ASP 46 3HB ASP 46 -3.816 4.553 -1.870 349 HA PRO 47 HA PRO 47 -0.435 1.548 -3.394 350 1HB PRO 47 2HB PRO 47 -2.271 0.056 -4.726 351 2HB PRO 47 3HB PRO 47 -1.509 -0.475 -3.222 352 1HG PRO 47 2HG PRO 47 -4.199 0.768 -3.647 353 2HG PRO 47 3HG PRO 47 -3.749 -0.596 -2.607 354 1HD PRO 47 2HD PRO 47 -4.124 1.907 -1.645 355 2HD PRO 47 3HD PRO 47 -2.952 0.777 -0.936 356 H ARG 48 H ARG 48 -3.715 2.686 -4.192 357 HA ARG 48 HA ARG 48 -3.353 3.201 -6.888 358 1HB ARG 48 2HB ARG 48 -5.537 3.311 -5.807 359 2HB ARG 48 3HB ARG 48 -5.036 4.730 -4.896 360 1HG ARG 48 2HG ARG 48 -4.922 6.050 -6.886 361 2HG ARG 48 3HG ARG 48 -5.195 4.630 -7.898 362 1HD ARG 48 2HD ARG 48 -7.238 5.918 -7.699 363 2HD ARG 48 3HD ARG 48 -7.420 4.362 -6.889 364 HE ARG 48 HE ARG 48 -6.605 6.122 -4.939 365 1HH1 ARG 48 1HH1 ARG 48 -9.278 5.877 -7.157 366 2HH1 ARG 48 2HH1 ARG 48 -10.390 6.696 -6.110 367 1HH2 ARG 48 1HH2 ARG 48 -8.060 7.200 -3.553 368 2HH2 ARG 48 2HH2 ARG 48 -9.696 7.449 -4.061 369 H ASP 49 H ASP 49 -2.823 5.399 -4.142 370 HA ASP 49 HA ASP 49 -1.996 7.626 -5.620 371 1HB ASP 49 2HB ASP 49 -1.037 6.854 -2.858 372 2HB ASP 49 3HB ASP 49 -1.071 8.473 -3.552 373 H ALA 50 H ALA 50 -0.199 4.843 -4.422 374 HA ALA 50 HA ALA 50 2.377 5.850 -5.102 375 1HB ALA 50 1HB ALA 50 2.834 4.177 -3.704 376 2HB ALA 50 2HB ALA 50 1.270 3.410 -3.983 377 3HB ALA 50 3HB ALA 50 2.613 3.100 -5.083 378 H GLU 51 H GLU 51 0.035 3.765 -6.735 379 HA GLU 51 HA GLU 51 1.645 3.005 -8.903 380 1HB GLU 51 2HB GLU 51 -1.326 3.224 -8.516 381 2HB GLU 51 3HB GLU 51 -0.654 2.778 -10.078 382 1HG GLU 51 2HG GLU 51 0.661 1.016 -8.631 383 2HG GLU 51 3HG GLU 51 -0.687 1.266 -7.523 384 H ASP 52 H ASP 52 -0.554 5.753 -8.488 385 HA ASP 52 HA ASP 52 -0.168 6.788 -11.109 386 1HB ASP 52 2HB ASP 52 -2.106 7.270 -9.509 387 2HB ASP 52 3HB ASP 52 -1.019 8.402 -8.709 388 H ALA 53 H ALA 53 1.237 7.557 -7.948 389 HA ALA 53 HA ALA 53 2.792 9.746 -8.728 390 1HB ALA 53 1HB ALA 53 2.888 7.801 -6.481 391 2HB ALA 53 2HB ALA 53 4.287 8.841 -6.751 392 3HB ALA 53 3HB ALA 53 2.702 9.555 -6.454 393 H VAL 54 H VAL 54 3.608 6.288 -8.611 394 HA VAL 54 HA VAL 54 6.275 6.588 -9.501 395 HB VAL 54 HB VAL 54 4.449 4.189 -9.695 396 1HG1 VAL 54 1HG1 VAL 54 6.050 3.361 -11.019 397 2HG1 VAL 54 2HG1 VAL 54 7.179 4.655 -10.613 398 3HG1 VAL 54 3HG1 VAL 54 7.023 3.255 -9.552 399 1HG2 VAL 54 1HG2 VAL 54 5.615 5.445 -7.464 400 2HG2 VAL 54 2HG2 VAL 54 4.796 3.884 -7.521 401 3HG2 VAL 54 3HG2 VAL 54 6.542 3.972 -7.752 402 H ARG 55 H ARG 55 3.332 5.571 -11.237 403 HA ARG 55 HA ARG 55 4.405 5.238 -13.757 404 1HB ARG 55 2HB ARG 55 1.699 6.050 -12.771 405 2HB ARG 55 3HB ARG 55 2.033 6.093 -14.497 406 1HG ARG 55 2HG ARG 55 2.137 3.832 -14.678 407 2HG ARG 55 3HG ARG 55 2.740 3.618 -13.033 408 1HD ARG 55 2HD ARG 55 0.687 3.214 -12.287 409 2HD ARG 55 3HD ARG 55 0.106 4.739 -12.955 410 HE ARG 55 HE ARG 55 -0.196 2.112 -14.097 411 1HH1 ARG 55 1HH1 ARG 55 -0.170 5.538 -14.716 412 2HH1 ARG 55 2HH1 ARG 55 -1.129 5.418 -16.153 413 1HH2 ARG 55 1HH2 ARG 55 -1.461 1.941 -15.988 414 2HH2 ARG 55 2HH2 ARG 55 -1.864 3.372 -16.875 415 H GLY 56 H GLY 56 3.333 8.219 -12.187 416 1HA GLY 56 2HA GLY 56 3.756 9.856 -14.502 417 2HA GLY 56 3HA GLY 56 3.465 10.422 -12.864 418 H LEU 57 H LEU 57 5.512 9.558 -11.411 419 HA LEU 57 HA LEU 57 7.592 11.297 -11.997 420 1HB LEU 57 2HB LEU 57 7.164 9.058 -10.132 421 2HB LEU 57 3HB LEU 57 8.849 9.458 -10.464 422 HG LEU 57 HG LEU 57 8.540 11.691 -9.630 423 1HD1 LEU 57 1HD1 LEU 57 5.647 10.957 -9.204 424 2HD1 LEU 57 2HD1 LEU 57 6.257 12.043 -10.452 425 3HD1 LEU 57 3HD1 LEU 57 6.420 12.477 -8.750 426 1HD2 LEU 57 1HD2 LEU 57 7.270 10.748 -7.340 427 2HD2 LEU 57 2HD2 LEU 57 9.003 10.757 -7.667 428 3HD2 LEU 57 3HD2 LEU 57 8.041 9.329 -8.048 429 H ASP 58 H ASP 58 7.548 7.755 -12.399 430 HA ASP 58 HA ASP 58 10.058 7.685 -13.745 431 1HB ASP 58 2HB ASP 58 8.900 5.785 -12.461 432 2HB ASP 58 3HB ASP 58 7.946 5.545 -13.922 433 H GLY 59 H GLY 59 6.688 7.733 -14.794 434 1HA GLY 59 2HA GLY 59 7.205 7.261 -17.544 435 2HA GLY 59 3HA GLY 59 5.740 7.965 -16.875 436 H LYS 60 H LYS 60 7.673 10.016 -15.580 437 HA LYS 60 HA LYS 60 8.647 11.530 -17.818 438 1HB LYS 60 2HB LYS 60 5.948 11.887 -17.096 439 2HB LYS 60 3HB LYS 60 6.806 13.284 -16.461 440 1HG LYS 60 2HG LYS 60 6.992 12.342 -19.313 441 2HG LYS 60 3HG LYS 60 5.889 13.598 -18.746 442 1HD LYS 60 2HD LYS 60 8.873 13.725 -18.359 443 2HD LYS 60 3HD LYS 60 8.051 14.413 -19.761 444 1HE LYS 60 2HE LYS 60 6.753 15.237 -17.330 445 2HE LYS 60 3HE LYS 60 8.474 15.611 -17.261 446 1HZ LYS 60 1HZ LYS 60 7.935 17.411 -18.429 447 2HZ LYS 60 2HZ LYS 60 6.408 16.814 -18.845 448 3HZ LYS 60 3HZ LYS 60 7.763 16.382 -19.762 449 H VAL 61 H VAL 61 10.433 12.481 -17.116 450 HA VAL 61 HA VAL 61 11.384 12.496 -14.544 451 HB VAL 61 HB VAL 61 13.038 14.078 -15.213 452 1HG1 VAL 61 1HG1 VAL 61 13.898 13.078 -17.195 453 2HG1 VAL 61 2HG1 VAL 61 13.027 11.822 -16.313 454 3HG1 VAL 61 3HG1 VAL 61 12.288 12.587 -17.720 455 1HG2 VAL 61 1HG2 VAL 61 12.708 15.223 -17.514 456 2HG2 VAL 61 2HG2 VAL 61 10.994 14.917 -17.233 457 3HG2 VAL 61 3HG2 VAL 61 11.911 15.904 -16.096 458 H ILE 62 H ILE 62 11.594 14.093 -12.919 459 HA ILE 62 HA ILE 62 9.459 16.125 -12.966 460 HB ILE 62 HB ILE 62 8.912 14.506 -11.299 461 1HG1 ILE 62 2HG1 ILE 62 9.115 17.144 -10.769 462 2HG1 ILE 62 3HG1 ILE 62 8.460 15.977 -9.625 463 1HG2 ILE 62 1HG2 ILE 62 11.747 14.837 -10.338 464 2HG2 ILE 62 2HG2 ILE 62 10.493 13.979 -9.444 465 3HG2 ILE 62 3HG2 ILE 62 11.009 13.390 -11.024 466 1HD1 ILE 62 1HD1 ILE 62 11.369 16.688 -9.653 467 2HD1 ILE 62 2HD1 ILE 62 10.179 17.644 -8.768 468 3HD1 ILE 62 3HD1 ILE 62 10.422 15.945 -8.364 469 H CYS 63 H CYS 63 10.104 18.168 -12.903 470 HA CYS 63 HA CYS 63 11.500 19.975 -12.844 471 1HB CYS 63 2HB CYS 63 10.946 19.290 -10.354 472 2HB CYS 63 3HB CYS 63 12.668 18.934 -10.297 473 HG CYS 63 HG CYS 63 13.416 21.554 -11.049 474 H GLY 64 H GLY 64 12.557 17.913 -14.390 475 1HA GLY 64 2HA GLY 64 14.541 17.497 -15.489 476 2HA GLY 64 3HA GLY 64 15.318 18.657 -14.422 477 H SER 65 H SER 65 13.542 15.846 -13.303 478 HA SER 65 HA SER 65 16.092 14.602 -12.515 479 1HB SER 65 2HB SER 65 13.640 14.397 -10.790 480 2HB SER 65 3HB SER 65 15.330 14.159 -10.347 481 HG SER 65 HG SER 65 14.295 16.663 -11.168 482 H ARG 66 H ARG 66 16.166 12.968 -13.968 483 HA ARG 66 HA ARG 66 13.800 11.384 -14.532 484 1HB ARG 66 2HB ARG 66 15.208 10.224 -16.155 485 2HB ARG 66 3HB ARG 66 15.329 11.966 -16.360 486 1HG ARG 66 2HG ARG 66 17.514 11.997 -15.877 487 2HG ARG 66 3HG ARG 66 17.345 10.818 -14.574 488 1HD ARG 66 2HD ARG 66 16.983 9.844 -17.351 489 2HD ARG 66 3HD ARG 66 18.619 10.275 -16.853 490 HE ARG 66 HE ARG 66 17.543 8.655 -14.865 491 1HH1 ARG 66 1HH1 ARG 66 18.429 8.423 -18.224 492 2HH1 ARG 66 2HH1 ARG 66 18.802 6.733 -18.143 493 1HH2 ARG 66 1HH2 ARG 66 18.030 6.430 -14.746 494 2HH2 ARG 66 2HH2 ARG 66 18.574 5.600 -16.165 495 H VAL 67 H VAL 67 14.321 11.141 -11.902 496 HA VAL 67 HA VAL 67 16.087 9.121 -11.107 497 HB VAL 67 HB VAL 67 14.557 8.845 -9.131 498 1HG1 VAL 67 1HG1 VAL 67 15.571 11.544 -9.969 499 2HG1 VAL 67 2HG1 VAL 67 14.855 11.270 -8.379 500 3HG1 VAL 67 3HG1 VAL 67 16.303 10.385 -8.860 501 1HG2 VAL 67 1HG2 VAL 67 12.467 9.612 -9.136 502 2HG2 VAL 67 2HG2 VAL 67 12.984 11.205 -9.689 503 3HG2 VAL 67 3HG2 VAL 67 12.664 9.927 -10.861 504 H ARG 68 H ARG 68 15.216 7.021 -10.048 505 HA ARG 68 HA ARG 68 13.571 5.650 -12.067 506 1HB ARG 68 2HB ARG 68 15.894 4.797 -10.396 507 2HB ARG 68 3HB ARG 68 14.704 3.587 -10.858 508 1HG ARG 68 2HG ARG 68 16.040 5.376 -12.865 509 2HG ARG 68 3HG ARG 68 16.728 3.833 -12.355 510 1HD ARG 68 2HD ARG 68 13.891 3.937 -13.272 511 2HD ARG 68 3HD ARG 68 15.185 3.982 -14.470 512 HE ARG 68 HE ARG 68 14.346 1.724 -12.917 513 1HH1 ARG 68 1HH1 ARG 68 17.024 3.180 -14.599 514 2HH1 ARG 68 2HH1 ARG 68 17.836 1.675 -14.876 515 1HH2 ARG 68 1HH2 ARG 68 15.405 -0.263 -13.276 516 2HH2 ARG 68 2HH2 ARG 68 16.914 -0.283 -14.125 517 H VAL 69 H VAL 69 11.523 5.620 -11.361 518 HA VAL 69 HA VAL 69 11.022 4.904 -8.550 519 HB VAL 69 HB VAL 69 8.999 6.088 -10.442 520 1HG1 VAL 69 1HG1 VAL 69 9.164 5.940 -7.434 521 2HG1 VAL 69 2HG1 VAL 69 7.894 6.758 -8.346 522 3HG1 VAL 69 3HG1 VAL 69 8.085 5.009 -8.473 523 1HG2 VAL 69 1HG2 VAL 69 11.241 7.382 -9.055 524 2HG2 VAL 69 2HG2 VAL 69 10.301 7.923 -10.446 525 3HG2 VAL 69 3HG2 VAL 69 9.672 8.151 -8.814 526 H GLU 70 H GLU 70 9.899 3.105 -8.043 527 HA GLU 70 HA GLU 70 8.251 1.733 -9.958 528 1HB GLU 70 2HB GLU 70 11.023 0.995 -9.680 529 2HB GLU 70 3HB GLU 70 9.992 -0.325 -9.147 530 1HG GLU 70 2HG GLU 70 9.717 -0.903 -11.259 531 2HG GLU 70 3HG GLU 70 8.862 0.614 -11.529 532 H LEU 71 H LEU 71 7.351 -0.316 -9.006 533 HA LEU 71 HA LEU 71 6.991 0.049 -6.110 534 1HB LEU 71 2HB LEU 71 5.192 -1.357 -8.077 535 2HB LEU 71 3HB LEU 71 4.857 -1.081 -6.369 536 HG LEU 71 HG LEU 71 5.204 1.151 -8.361 537 1HD1 LEU 71 1HD1 LEU 71 3.313 0.199 -9.229 538 2HD1 LEU 71 2HD1 LEU 71 2.607 1.217 -7.975 539 3HD1 LEU 71 3HD1 LEU 71 2.826 -0.509 -7.689 540 1HD2 LEU 71 1HD2 LEU 71 3.768 2.273 -6.529 541 2HD2 LEU 71 2HD2 LEU 71 5.492 2.042 -6.239 542 3HD2 LEU 71 3HD2 LEU 71 4.320 0.944 -5.508 543 H SER 72 H SER 72 8.040 -1.357 -4.885 544 HA SER 72 HA SER 72 9.133 -3.784 -5.927 545 1HB SER 72 2HB SER 72 9.044 -2.545 -3.182 546 2HB SER 72 3HB SER 72 9.712 -4.156 -3.443 547 HG SER 72 HG SER 72 10.568 -1.782 -4.747 548 H THR 73 H THR 73 6.224 -2.910 -4.272 549 HA THR 73 HA THR 73 5.330 -5.693 -4.418 550 HB THR 73 HB THR 73 4.852 -4.023 -1.947 551 HG1 THR 73 HG1 THR 73 6.571 -6.271 -2.080 552 1HG2 THR 73 1HG2 THR 73 3.664 -6.394 -2.961 553 2HG2 THR 73 2HG2 THR 73 3.373 -5.599 -1.413 554 3HG2 THR 73 3HG2 THR 73 4.625 -6.833 -1.550 555 H GLY 74 H GLY 74 3.260 -5.912 -5.077 556 1HA GLY 74 2HA GLY 74 0.987 -5.262 -5.262 557 2HA GLY 74 3HA GLY 74 1.458 -3.607 -4.904 558 H MET 75 H MET 75 3.395 -5.268 -7.194 559 HA MET 75 HA MET 75 1.926 -4.025 -9.418 560 1HB MET 75 2HB MET 75 3.775 -2.553 -8.932 561 2HB MET 75 3HB MET 75 4.901 -3.904 -8.909 562 1HG MET 75 2HG MET 75 3.516 -3.841 -11.413 563 2HG MET 75 3HG MET 75 4.216 -2.260 -11.072 564 1HE MET 75 1HE MET 75 5.538 -2.059 -12.780 565 2HE MET 75 2HE MET 75 7.134 -2.015 -12.031 566 3HE MET 75 3HE MET 75 6.823 -3.108 -13.381 567 HA PRO 76 HA PRO 76 2.628 -8.455 -10.390 568 1HB PRO 76 2HB PRO 76 0.302 -8.736 -11.760 569 2HB PRO 76 3HB PRO 76 0.404 -8.880 -10.002 570 1HG PRO 76 2HG PRO 76 -0.467 -6.548 -11.663 571 2HG PRO 76 3HG PRO 76 -1.188 -7.195 -10.178 572 1HD PRO 76 2HD PRO 76 0.414 -5.012 -10.189 573 2HD PRO 76 3HD PRO 76 0.352 -6.145 -8.823 574 H ARG 77 H ARG 77 4.015 -8.779 -12.006 575 HA ARG 77 HA ARG 77 3.360 -7.690 -14.659 576 1HB ARG 77 2HB ARG 77 5.542 -6.915 -13.046 577 2HB ARG 77 3HB ARG 77 6.206 -7.924 -14.324 578 1HG ARG 77 2HG ARG 77 4.804 -6.440 -15.905 579 2HG ARG 77 3HG ARG 77 4.748 -5.325 -14.538 580 1HD ARG 77 2HD ARG 77 6.821 -4.632 -14.944 581 2HD ARG 77 3HD ARG 77 7.427 -6.288 -14.932 582 HE ARG 77 HE ARG 77 6.212 -5.958 -17.378 583 1HH1 ARG 77 1HH1 ARG 77 8.813 -4.445 -15.628 584 2HH1 ARG 77 2HH1 ARG 77 9.690 -4.003 -17.055 585 1HH2 ARG 77 1HH2 ARG 77 7.357 -5.382 -19.264 586 2HH2 ARG 77 2HH2 ARG 77 8.861 -4.536 -19.123 587 H ARG 78 H ARG 78 4.988 -8.774 -16.318 588 HA ARG 78 HA ARG 78 4.425 -11.586 -16.188 589 1HB ARG 78 2HB ARG 78 5.352 -11.690 -18.420 590 2HB ARG 78 3HB ARG 78 4.290 -10.294 -18.296 591 1HG ARG 78 2HG ARG 78 7.031 -9.625 -17.646 592 2HG ARG 78 3HG ARG 78 6.879 -10.323 -19.260 593 1HD ARG 78 2HD ARG 78 5.256 -8.013 -18.197 594 2HD ARG 78 3HD ARG 78 6.655 -7.869 -19.262 595 HE ARG 78 HE ARG 78 3.987 -8.575 -20.011 596 1HH1 ARG 78 1HH1 ARG 78 7.349 -8.977 -20.820 597 2HH1 ARG 78 2HH1 ARG 78 7.042 -9.298 -22.495 598 1HH2 ARG 78 1HH2 ARG 78 3.570 -8.997 -22.213 599 2HH2 ARG 78 2HH2 ARG 78 4.892 -9.308 -23.286 600 H SER 79 H SER 79 6.912 -9.665 -15.035 601 HA SER 79 HA SER 79 9.159 -11.323 -15.506 602 1HB SER 79 2HB SER 79 8.746 -8.823 -14.388 603 2HB SER 79 3HB SER 79 9.272 -9.797 -13.015 604 HG SER 79 HG SER 79 11.105 -9.040 -13.972 605 H ARG 80 H ARG 80 10.287 -12.664 -13.996 606 HA ARG 80 HA ARG 80 8.488 -14.317 -12.451 607 1HB ARG 80 2HB ARG 80 11.401 -14.509 -13.182 608 2HB ARG 80 3HB ARG 80 10.671 -15.609 -12.020 609 1HG ARG 80 2HG ARG 80 9.835 -16.862 -13.641 610 2HG ARG 80 3HG ARG 80 9.062 -15.464 -14.392 611 1HD ARG 80 2HD ARG 80 11.998 -15.914 -14.727 612 2HD ARG 80 3HD ARG 80 10.850 -16.824 -15.708 613 HE ARG 80 HE ARG 80 10.123 -14.161 -15.906 614 1HH1 ARG 80 1HH1 ARG 80 12.883 -16.135 -16.687 615 2HH1 ARG 80 2HH1 ARG 80 13.373 -15.149 -18.025 616 1HH2 ARG 80 1HH2 ARG 80 10.758 -12.855 -17.664 617 2HH2 ARG 80 2HH2 ARG 80 12.165 -13.283 -18.579 618 H PHE 81 H PHE 81 8.422 -11.945 -11.247 619 HA PHE 81 HA PHE 81 10.389 -11.474 -9.279 620 1HB PHE 81 2HB PHE 81 7.476 -10.668 -9.380 621 2HB PHE 81 3HB PHE 81 8.633 -10.059 -8.201 622 HD1 PHE 81 HD1 PHE 81 11.011 -9.596 -9.817 623 HD2 PHE 81 HD2 PHE 81 6.914 -8.873 -10.718 624 HE1 PHE 81 HE1 PHE 81 11.673 -7.818 -11.384 625 HE2 PHE 81 HE2 PHE 81 7.569 -7.095 -12.286 626 HZ PHE 81 HZ PHE 81 9.951 -6.566 -12.622 627 H ASP 82 H ASP 82 10.904 -12.807 -7.684 628 HA ASP 82 HA ASP 82 9.292 -14.935 -6.787 629 1HB ASP 82 2HB ASP 82 11.884 -14.496 -6.585 630 2HB ASP 82 3HB ASP 82 11.430 -13.789 -5.037 631 H ARG 83 H ARG 83 9.662 -11.631 -5.703 632 HA ARG 83 HA ARG 83 8.342 -11.966 -3.201 633 1HB ARG 83 2HB ARG 83 9.807 -9.960 -4.368 634 2HB ARG 83 3HB ARG 83 8.176 -9.304 -4.425 635 1HG ARG 83 2HG ARG 83 8.584 -8.589 -2.356 636 2HG ARG 83 3HG ARG 83 8.324 -10.265 -1.870 637 1HD ARG 83 2HD ARG 83 10.388 -9.481 -0.914 638 2HD ARG 83 3HD ARG 83 10.748 -10.678 -2.158 639 HE ARG 83 HE ARG 83 10.858 -8.227 -3.412 640 1HH1 ARG 83 1HH1 ARG 83 12.487 -9.798 -0.767 641 2HH1 ARG 83 2HH1 ARG 83 13.974 -8.941 -1.002 642 1HH2 ARG 83 1HH2 ARG 83 12.811 -7.092 -3.732 643 2HH2 ARG 83 2HH2 ARG 83 14.157 -7.402 -2.689 644 HA PRO 84 HA PRO 84 4.211 -12.285 -4.803 645 1HB PRO 84 2HB PRO 84 2.951 -12.210 -2.399 646 2HB PRO 84 3HB PRO 84 3.790 -13.645 -3.000 647 1HG PRO 84 2HG PRO 84 4.732 -11.576 -1.052 648 2HG PRO 84 3HG PRO 84 4.903 -13.339 -0.981 649 1HD PRO 84 2HD PRO 84 6.915 -11.712 -1.776 650 2HD PRO 84 3HD PRO 84 6.699 -13.350 -2.426 651 HA PRO 85 HA PRO 85 3.494 -7.825 -4.813 652 1HB PRO 85 2HB PRO 85 1.792 -7.880 -6.928 653 2HB PRO 85 3HB PRO 85 3.549 -7.935 -7.108 654 1HG PRO 85 2HG PRO 85 1.567 -10.177 -7.179 655 2HG PRO 85 3HG PRO 85 2.966 -9.887 -8.229 656 1HD PRO 85 2HD PRO 85 3.023 -11.659 -6.183 657 2HD PRO 85 3HD PRO 85 4.455 -10.743 -6.693 658 H ALA 86 H ALA 86 1.862 -6.586 -3.994 659 HA ALA 86 HA ALA 86 -0.381 -7.994 -2.809 660 1HB ALA 86 1HB ALA 86 -0.842 -5.802 -1.723 661 2HB ALA 86 2HB ALA 86 0.772 -6.437 -1.399 662 3HB ALA 86 3HB ALA 86 0.554 -5.139 -2.572 663 H ARG 87 H ARG 87 -1.871 -8.464 -4.361 664 HA ARG 87 HA ARG 87 -3.477 -6.287 -5.334 665 1HB ARG 87 2HB ARG 87 -3.248 -7.419 -7.743 666 2HB ARG 87 3HB ARG 87 -2.226 -6.084 -7.227 667 1HG ARG 87 2HG ARG 87 -0.978 -7.904 -8.325 668 2HG ARG 87 3HG ARG 87 -0.442 -7.595 -6.672 669 1HD ARG 87 2HD ARG 87 -1.177 -9.600 -5.916 670 2HD ARG 87 3HD ARG 87 -2.562 -9.622 -7.006 671 HE ARG 87 HE ARG 87 -0.168 -9.943 -8.469 672 1HH1 ARG 87 1HH1 ARG 87 -2.283 -11.646 -6.291 673 2HH1 ARG 87 2HH1 ARG 87 -1.872 -13.212 -6.909 674 1HH2 ARG 87 1HH2 ARG 87 0.382 -11.998 -9.291 675 2HH2 ARG 87 2HH2 ARG 87 -0.356 -13.411 -8.614 676 H ARG 88 H ARG 88 -3.618 -8.796 -3.712 677 HA ARG 88 HA ARG 88 -5.052 -10.521 -3.328 678 1HB ARG 88 2HB ARG 88 -6.709 -8.746 -5.107 679 2HB ARG 88 3HB ARG 88 -7.348 -10.247 -4.450 680 1HG ARG 88 2HG ARG 88 -6.094 -8.487 -2.470 681 2HG ARG 88 3HG ARG 88 -7.532 -7.824 -3.250 682 1HD ARG 88 2HD ARG 88 -8.385 -10.325 -2.728 683 2HD ARG 88 3HD ARG 88 -7.252 -10.103 -1.396 684 HE ARG 88 HE ARG 88 -8.910 -7.843 -1.580 685 1HH1 ARG 88 1HH1 ARG 88 -9.048 -11.212 -0.712 686 2HH1 ARG 88 2HH1 ARG 88 -10.354 -11.004 0.408 687 1HH2 ARG 88 1HH2 ARG 88 -10.629 -7.557 -0.108 688 2HH2 ARG 88 2HH2 ARG 88 -11.253 -8.925 0.750 689 H LYS 89 H LYS 89 -6.695 -12.073 -4.677 690 HA LYS 89 HA LYS 89 -5.080 -13.696 -6.247 691 1HB LYS 89 2HB LYS 89 -7.044 -14.608 -5.228 692 2HB LYS 89 3HB LYS 89 -8.086 -13.480 -6.085 693 1HG LYS 89 2HG LYS 89 -8.180 -14.768 -7.906 694 2HG LYS 89 3HG LYS 89 -6.456 -15.143 -7.847 695 1HD LYS 89 2HD LYS 89 -7.356 -17.213 -7.427 696 2HD LYS 89 3HD LYS 89 -7.170 -16.601 -5.782 697 1HE LYS 89 2HE LYS 89 -9.382 -16.555 -5.433 698 2HE LYS 89 3HE LYS 89 -9.709 -15.863 -7.021 699 1HZ LYS 89 1HZ LYS 89 -10.699 -17.946 -7.093 700 2HZ LYS 89 2HZ LYS 89 -9.428 -18.705 -6.275 701 3HZ LYS 89 3HZ LYS 89 -9.222 -18.203 -7.877 702 H LEU 90 H LEU 90 -7.976 -12.129 -7.584 703 HA LEU 90 HA LEU 90 -8.433 -11.349 -9.676 704 1HB LEU 90 2HB LEU 90 -5.946 -10.116 -8.792 705 2HB LEU 90 3HB LEU 90 -6.114 -10.143 -10.546 706 HG LEU 90 HG LEU 90 -8.545 -9.215 -9.300 707 1HD1 LEU 90 1HD1 LEU 90 -7.674 -7.101 -8.425 708 2HD1 LEU 90 2HD1 LEU 90 -6.027 -7.688 -8.652 709 3HD1 LEU 90 3HD1 LEU 90 -7.094 -8.482 -7.494 710 1HD2 LEU 90 1HD2 LEU 90 -6.562 -7.864 -11.128 711 2HD2 LEU 90 2HD2 LEU 90 -8.229 -7.365 -10.837 712 3HD2 LEU 90 3HD2 LEU 90 -7.894 -8.895 -11.649 713 H LEU 91 H LEU 91 -8.635 -13.362 -10.701 714 HA LEU 91 HA LEU 91 -7.043 -13.753 -12.966 715 1HB LEU 91 2HB LEU 91 -5.726 -14.679 -10.776 716 2HB LEU 91 3HB LEU 91 -6.594 -16.124 -11.290 717 HG LEU 91 HG LEU 91 -5.200 -14.772 -13.472 718 1HD1 LEU 91 1HD1 LEU 91 -3.631 -15.858 -11.141 719 2HD1 LEU 91 2HD1 LEU 91 -3.582 -14.219 -11.791 720 3HD1 LEU 91 3HD1 LEU 91 -2.962 -15.566 -12.747 721 1HD2 LEU 91 1HD2 LEU 91 -6.207 -17.270 -12.926 722 2HD2 LEU 91 2HD2 LEU 91 -4.465 -17.503 -12.777 723 3HD2 LEU 91 3HD2 LEU 91 -5.144 -16.856 -14.271 724 H GLU 92 H GLU 92 -9.187 -15.175 -10.576 725 HA GLU 92 HA GLU 92 -10.209 -17.265 -12.165 726 1HB GLU 92 2HB GLU 92 -10.473 -16.777 -9.613 727 2HB GLU 92 3HB GLU 92 -11.883 -15.855 -10.115 728 1HG GLU 92 2HG GLU 92 -12.467 -18.065 -11.405 729 2HG GLU 92 3HG GLU 92 -11.403 -18.786 -10.199 730 H VAL 93 H VAL 93 -10.840 -13.861 -12.095 731 HA VAL 93 HA VAL 93 -13.211 -14.175 -13.791 732 HB VAL 93 HB VAL 93 -12.104 -11.609 -12.654 733 1HG1 VAL 93 1HG1 VAL 93 -14.429 -12.346 -14.294 734 2HG1 VAL 93 2HG1 VAL 93 -14.773 -11.260 -12.945 735 3HG1 VAL 93 3HG1 VAL 93 -13.574 -10.809 -14.158 736 1HG2 VAL 93 1HG2 VAL 93 -13.736 -13.732 -11.413 737 2HG2 VAL 93 2HG2 VAL 93 -12.659 -12.548 -10.672 738 3HG2 VAL 93 3HG2 VAL 93 -14.287 -12.076 -11.158 739 H LEU 94 H LEU 94 -13.388 -13.100 -15.796 740 HA LEU 94 HA LEU 94 -11.409 -11.537 -16.996 741 1HB LEU 94 2HB LEU 94 -9.921 -13.346 -17.007 742 2HB LEU 94 3HB LEU 94 -11.184 -14.493 -17.449 743 HG LEU 94 HG LEU 94 -10.723 -12.437 -19.474 744 1HD1 LEU 94 1HD1 LEU 94 -8.516 -14.414 -18.927 745 2HD1 LEU 94 2HD1 LEU 94 -8.430 -12.691 -18.562 746 3HD1 LEU 94 3HD1 LEU 94 -8.591 -13.231 -20.233 747 1HD2 LEU 94 1HD2 LEU 94 -11.133 -15.379 -19.290 748 2HD2 LEU 94 2HD2 LEU 94 -10.405 -14.718 -20.754 749 3HD2 LEU 94 3HD2 LEU 94 -12.002 -14.173 -20.239 750 H PHE 95 H PHE 95 -12.157 -10.672 -18.866 751 HA PHE 95 HA PHE 95 -14.493 -11.952 -20.118 752 1HB PHE 95 2HB PHE 95 -15.442 -9.689 -20.492 753 2HB PHE 95 3HB PHE 95 -15.300 -10.093 -18.784 754 HD1 PHE 95 HD1 PHE 95 -13.385 -9.136 -17.469 755 HD2 PHE 95 HD2 PHE 95 -14.382 -7.801 -21.386 756 HE1 PHE 95 HE1 PHE 95 -12.108 -7.068 -17.086 757 HE2 PHE 95 HE2 PHE 95 -13.107 -5.732 -21.009 758 HZ PHE 95 HZ PHE 95 -11.967 -5.363 -18.857 759 H ASN 96 H ASN 96 -14.088 -12.443 -22.161 760 HA ASN 96 HA ASN 96 -12.912 -10.555 -23.967 761 1HB ASN 96 2HB ASN 96 -11.319 -12.867 -22.944 762 2HB ASN 96 3HB ASN 96 -11.142 -12.405 -24.634 763 1HD2 ASN 96 1HD2 ASN 96 -10.201 -11.792 -21.467 764 2HD2 ASN 96 2HD2 ASN 96 -9.329 -10.326 -21.742 765 H GLY 97 H GLY 97 -15.328 -12.248 -23.588 766 1HA GLY 97 2HA GLY 97 -16.826 -13.218 -25.051 767 2HA GLY 97 3HA GLY 97 -15.625 -13.045 -26.322 768 HA PRO 98 HA PRO 98 -14.674 -17.222 -24.053 769 1HB PRO 98 2HB PRO 98 -16.599 -18.123 -22.364 770 2HB PRO 98 3HB PRO 98 -15.257 -17.102 -21.834 771 1HG PRO 98 2HG PRO 98 -18.079 -16.338 -22.481 772 2HG PRO 98 3HG PRO 98 -17.056 -15.804 -21.135 773 1HD PRO 98 2HD PRO 98 -17.456 -14.296 -23.348 774 2HD PRO 98 3HD PRO 98 -15.935 -14.263 -22.432 775 H LEU 99 H LEU 99 -17.757 -16.233 -25.242 776 HA LEU 99 HA LEU 99 -18.207 -18.919 -26.365 777 1HB LEU 99 2HB LEU 99 -19.919 -17.823 -24.756 778 2HB LEU 99 3HB LEU 99 -20.341 -16.831 -26.150 779 HG LEU 99 HG LEU 99 -20.915 -18.876 -27.401 780 1HD1 LEU 99 1HD1 LEU 99 -20.265 -20.229 -24.790 781 2HD1 LEU 99 2HD1 LEU 99 -19.500 -20.493 -26.357 782 3HD1 LEU 99 3HD1 LEU 99 -21.174 -20.985 -26.099 783 1HD2 LEU 99 1HD2 LEU 99 -22.401 -18.916 -24.797 784 2HD2 LEU 99 2HD2 LEU 99 -23.017 -19.156 -26.432 785 3HD2 LEU 99 3HD2 LEU 99 -22.523 -17.548 -25.902 786 H GLU 100 H GLU 100 -17.714 -19.051 -28.444 787 HA GLU 100 HA GLU 100 -17.661 -16.643 -30.084 788 1HB GLU 100 2HB GLU 100 -16.390 -17.892 -31.656 789 2HB GLU 100 3HB GLU 100 -15.773 -18.318 -30.066 790 1HG GLU 100 2HG GLU 100 -17.680 -20.220 -30.436 791 2HG GLU 100 3HG GLU 100 -17.093 -19.974 -32.080 792 H HIS 101 H HIS 101 -20.043 -18.544 -29.192 793 HA HIS 101 HA HIS 101 -22.072 -19.140 -30.032 794 1HB HIS 101 2HB HIS 101 -22.358 -16.868 -30.674 795 2HB HIS 101 3HB HIS 101 -21.254 -17.038 -32.036 796 HD1 HIS 101 HD1 HIS 101 -22.625 -16.758 -34.073 797 HD2 HIS 101 HD2 HIS 101 -24.526 -19.135 -31.245 798 HE1 HIS 101 HE1 HIS 101 -24.744 -17.548 -35.173 Start of MODEL 6 1 1H MET 1 H MET 1 1.118 -2.554 -1.265 2 HA MET 1 HA MET 1 1.763 -3.017 -3.598 3 1HB MET 1 2HB MET 1 1.767 -0.025 -3.930 4 2HB MET 1 3HB MET 1 1.893 -1.259 -5.176 5 1HG MET 1 2HG MET 1 -0.555 -0.730 -3.508 6 2HG MET 1 3HG MET 1 -0.292 -0.137 -5.146 7 1HE MET 1 1HE MET 1 0.491 -1.696 -6.993 8 2HE MET 1 2HE MET 1 1.152 -3.199 -6.348 9 3HE MET 1 3HE MET 1 -0.313 -3.230 -7.330 10 H LYS 2 H LYS 2 3.935 -2.400 -4.565 11 HA LYS 2 HA LYS 2 5.743 -1.443 -2.443 12 1HB LYS 2 2HB LYS 2 5.867 -3.872 -4.160 13 2HB LYS 2 3HB LYS 2 7.384 -3.062 -3.788 14 1HG LYS 2 2HG LYS 2 7.271 -3.570 -1.559 15 2HG LYS 2 3HG LYS 2 5.509 -3.681 -1.561 16 1HD LYS 2 2HD LYS 2 5.731 -5.763 -2.938 17 2HD LYS 2 3HD LYS 2 7.474 -5.678 -2.674 18 1HE LYS 2 2HE LYS 2 6.365 -5.404 -0.140 19 2HE LYS 2 3HE LYS 2 5.379 -6.638 -0.922 20 1HZ LYS 2 1HZ LYS 2 8.335 -6.743 -0.948 21 2HZ LYS 2 2HZ LYS 2 7.241 -7.989 -1.279 22 3HZ LYS 2 3HZ LYS 2 7.425 -7.424 0.305 23 H VAL 3 H VAL 3 7.216 0.062 -2.995 24 HA VAL 3 HA VAL 3 7.705 0.590 -5.840 25 HB VAL 3 HB VAL 3 7.112 2.786 -3.854 26 1HG1 VAL 3 1HG1 VAL 3 8.595 3.524 -5.584 27 2HG1 VAL 3 2HG1 VAL 3 7.588 2.784 -6.831 28 3HG1 VAL 3 3HG1 VAL 3 6.990 4.173 -5.921 29 1HG2 VAL 3 1HG2 VAL 3 5.144 2.878 -5.768 30 2HG2 VAL 3 2HG2 VAL 3 5.332 1.148 -5.484 31 3HG2 VAL 3 3HG2 VAL 3 4.964 2.227 -4.139 32 H TYR 4 H TYR 4 9.700 1.548 -6.309 33 HA TYR 4 HA TYR 4 11.563 1.826 -4.051 34 1HB TYR 4 2HB TYR 4 12.552 -0.070 -4.751 35 2HB TYR 4 3HB TYR 4 11.681 -0.061 -6.280 36 HD1 TYR 4 HD1 TYR 4 14.622 1.377 -4.531 37 HD2 TYR 4 HD2 TYR 4 12.755 0.586 -8.271 38 HE1 TYR 4 HE1 TYR 4 16.688 2.031 -5.694 39 HE2 TYR 4 HE2 TYR 4 14.816 1.237 -9.445 40 HH TYR 4 HH TYR 4 17.709 1.376 -8.140 41 H VAL 5 H VAL 5 12.317 3.827 -4.019 42 HA VAL 5 HA VAL 5 12.691 5.240 -6.579 43 HB VAL 5 HB VAL 5 12.505 7.345 -5.237 44 1HG1 VAL 5 1HG1 VAL 5 9.927 6.759 -4.688 45 2HG1 VAL 5 2HG1 VAL 5 10.538 7.098 -6.309 46 3HG1 VAL 5 3HG1 VAL 5 10.335 5.430 -5.772 47 1HG2 VAL 5 1HG2 VAL 5 12.525 5.476 -3.078 48 2HG2 VAL 5 2HG2 VAL 5 12.559 7.239 -3.019 49 3HG2 VAL 5 3HG2 VAL 5 11.015 6.387 -3.042 50 H GLY 6 H GLY 6 14.795 5.004 -7.083 51 1HA GLY 6 2HA GLY 6 16.784 5.465 -4.955 52 2HA GLY 6 3HA GLY 6 17.080 4.547 -6.424 53 H ASN 7 H ASN 7 18.997 6.069 -6.349 54 HA ASN 7 HA ASN 7 20.147 7.779 -7.311 55 1HB ASN 7 2HB ASN 7 17.634 7.708 -8.921 56 2HB ASN 7 3HB ASN 7 18.712 9.087 -9.120 57 1HD2 ASN 7 1HD2 ASN 7 18.692 5.551 -9.091 58 2HD2 ASN 7 2HD2 ASN 7 19.916 5.360 -10.295 59 H LEU 8 H LEU 8 19.859 8.646 -5.054 60 HA LEU 8 HA LEU 8 18.308 11.150 -5.100 61 1HB LEU 8 2HB LEU 8 19.232 9.689 -2.639 62 2HB LEU 8 3HB LEU 8 18.074 11.014 -2.740 63 HG LEU 8 HG LEU 8 17.535 8.327 -3.975 64 1HD1 LEU 8 1HD1 LEU 8 17.990 8.569 -1.327 65 2HD1 LEU 8 2HD1 LEU 8 16.846 7.427 -2.032 66 3HD1 LEU 8 3HD1 LEU 8 16.273 8.968 -1.396 67 1HD2 LEU 8 1HD2 LEU 8 15.360 9.045 -4.196 68 2HD2 LEU 8 2HD2 LEU 8 16.247 10.543 -4.475 69 3HD2 LEU 8 3HD2 LEU 8 15.506 10.236 -2.903 70 H GLY 9 H GLY 9 20.361 11.816 -6.310 71 1HA GLY 9 2HA GLY 9 22.214 12.949 -4.322 72 2HA GLY 9 3HA GLY 9 22.855 12.116 -5.731 73 H THR 10 H THR 10 20.215 14.466 -5.283 74 HA THR 10 HA THR 10 21.641 16.520 -6.697 75 HB THR 10 HB THR 10 20.884 15.130 -8.589 76 HG1 THR 10 HG1 THR 10 20.936 17.504 -8.677 77 1HG2 THR 10 1HG2 THR 10 18.048 15.869 -8.071 78 2HG2 THR 10 2HG2 THR 10 18.723 14.496 -7.193 79 3HG2 THR 10 3HG2 THR 10 18.714 14.498 -8.956 80 H GLY 11 H GLY 11 20.112 16.007 -4.174 81 1HA GLY 11 2HA GLY 11 19.057 17.602 -2.811 82 2HA GLY 11 3HA GLY 11 18.572 18.481 -4.254 83 H ALA 12 H ALA 12 18.010 15.089 -4.218 84 HA ALA 12 HA ALA 12 15.189 15.529 -3.497 85 1HB ALA 12 1HB ALA 12 16.317 14.267 -5.952 86 2HB ALA 12 2HB ALA 12 14.787 13.677 -5.302 87 3HB ALA 12 3HB ALA 12 14.950 15.368 -5.776 88 H GLY 13 H GLY 13 15.023 14.490 -1.597 89 1HA GLY 13 2HA GLY 13 15.897 11.670 -1.532 90 2HA GLY 13 3HA GLY 13 16.188 12.745 -0.172 91 H LYS 14 H LYS 14 14.882 12.218 1.442 92 HA LYS 14 HA LYS 14 12.453 10.820 1.146 93 1HB LYS 14 2HB LYS 14 14.023 11.071 3.210 94 2HB LYS 14 3HB LYS 14 13.063 12.504 3.554 95 1HG LYS 14 2HG LYS 14 11.246 10.421 3.015 96 2HG LYS 14 3HG LYS 14 12.474 9.768 4.101 97 1HD LYS 14 2HD LYS 14 12.030 11.380 5.750 98 2HD LYS 14 3HD LYS 14 11.150 12.414 4.621 99 1HE LYS 14 2HE LYS 14 9.526 10.412 4.425 100 2HE LYS 14 3HE LYS 14 10.278 9.859 5.920 101 1HZ LYS 14 1HZ LYS 14 8.931 11.214 7.010 102 2HZ LYS 14 2HZ LYS 14 8.298 11.834 5.569 103 3HZ LYS 14 3HZ LYS 14 9.666 12.544 6.266 104 H GLY 15 H GLY 15 13.094 14.238 1.928 105 1HA GLY 15 2HA GLY 15 10.418 15.059 2.084 106 2HA GLY 15 3HA GLY 15 11.781 16.108 1.722 107 H GLU 16 H GLU 16 12.640 15.026 -0.685 108 HA GLU 16 HA GLU 16 10.929 16.286 -2.514 109 1HB GLU 16 2HB GLU 16 13.346 15.941 -2.891 110 2HB GLU 16 3HB GLU 16 13.060 14.216 -3.074 111 1HG GLU 16 2HG GLU 16 12.866 14.603 -5.246 112 2HG GLU 16 3HG GLU 16 11.312 15.350 -4.878 113 H LEU 17 H LEU 17 11.606 12.802 -2.143 114 HA LEU 17 HA LEU 17 9.626 11.936 -3.937 115 1HB LEU 17 2HB LEU 17 10.186 9.809 -3.319 116 2HB LEU 17 3HB LEU 17 11.630 10.688 -2.817 117 HG LEU 17 HG LEU 17 10.307 10.776 -0.513 118 1HD1 LEU 17 1HD1 LEU 17 8.909 8.765 -2.116 119 2HD1 LEU 17 2HD1 LEU 17 8.399 9.614 -0.656 120 3HD1 LEU 17 3HD1 LEU 17 9.441 8.196 -0.533 121 1HD2 LEU 17 1HD2 LEU 17 11.485 8.603 0.058 122 2HD2 LEU 17 2HD2 LEU 17 12.487 9.889 -0.615 123 3HD2 LEU 17 3HD2 LEU 17 11.977 8.542 -1.635 124 H GLU 18 H GLU 18 9.492 12.852 -0.582 125 HA GLU 18 HA GLU 18 7.040 11.629 0.092 126 1HB GLU 18 2HB GLU 18 8.507 12.437 1.827 127 2HB GLU 18 3HB GLU 18 8.409 14.079 1.206 128 1HG GLU 18 2HG GLU 18 6.623 14.496 2.437 129 2HG GLU 18 3HG GLU 18 5.779 13.102 1.768 130 H ARG 19 H ARG 19 7.758 14.991 -0.857 131 HA ARG 19 HA ARG 19 5.072 15.829 -0.966 132 1HB ARG 19 2HB ARG 19 6.793 17.482 -0.817 133 2HB ARG 19 3HB ARG 19 7.568 16.895 -2.282 134 1HG ARG 19 2HG ARG 19 5.935 17.816 -3.663 135 2HG ARG 19 3HG ARG 19 4.781 17.986 -2.338 136 1HD ARG 19 2HD ARG 19 5.575 20.163 -2.787 137 2HD ARG 19 3HD ARG 19 6.400 19.641 -1.318 138 HE ARG 19 HE ARG 19 8.395 19.690 -2.454 139 1HH1 ARG 19 1HH1 ARG 19 5.760 19.907 -4.719 140 2HH1 ARG 19 2HH1 ARG 19 6.780 20.281 -6.069 141 1HH2 ARG 19 1HH2 ARG 19 9.748 20.180 -4.223 142 2HH2 ARG 19 2HH2 ARG 19 9.048 20.435 -5.786 143 H ALA 20 H ALA 20 7.229 14.463 -3.401 144 HA ALA 20 HA ALA 20 5.561 14.859 -5.636 145 1HB ALA 20 1HB ALA 20 7.012 12.539 -6.144 146 2HB ALA 20 2HB ALA 20 7.468 14.190 -6.564 147 3HB ALA 20 3HB ALA 20 8.028 13.479 -5.051 148 H PHE 21 H PHE 21 6.211 11.772 -3.964 149 HA PHE 21 HA PHE 21 4.193 10.289 -5.119 150 1HB PHE 21 2HB PHE 21 5.661 10.113 -2.526 151 2HB PHE 21 3HB PHE 21 4.259 9.074 -2.764 152 HD1 PHE 21 HD1 PHE 21 5.015 6.934 -3.131 153 HD2 PHE 21 HD2 PHE 21 6.947 10.177 -5.097 154 HE1 PHE 21 HE1 PHE 21 6.409 5.340 -4.384 155 HE2 PHE 21 HE2 PHE 21 8.344 8.589 -6.353 156 HZ PHE 21 HZ PHE 21 8.075 6.166 -5.998 157 H SER 22 H SER 22 4.047 12.201 -2.129 158 HA SER 22 HA SER 22 1.423 11.598 -1.406 159 1HB SER 22 2HB SER 22 2.774 12.718 0.194 160 2HB SER 22 3HB SER 22 3.130 14.038 -0.919 161 HG SER 22 HG SER 22 1.482 14.432 0.758 162 H TYR 23 H TYR 23 2.676 14.164 -3.502 163 HA TYR 23 HA TYR 23 0.236 15.474 -3.966 164 1HB TYR 23 2HB TYR 23 2.914 15.438 -5.209 165 2HB TYR 23 3HB TYR 23 1.601 15.933 -6.271 166 HD1 TYR 23 HD1 TYR 23 1.890 18.232 -6.529 167 HD2 TYR 23 HD2 TYR 23 2.035 16.550 -2.624 168 HE1 TYR 23 HE1 TYR 23 1.959 20.493 -5.564 169 HE2 TYR 23 HE2 TYR 23 2.103 18.807 -1.648 170 HH TYR 23 HH TYR 23 1.869 21.697 -3.684 171 H TYR 24 H TYR 24 1.798 12.768 -5.610 172 HA TYR 24 HA TYR 24 -0.131 12.604 -7.709 173 1HB TYR 24 2HB TYR 24 2.143 10.921 -6.760 174 2HB TYR 24 3HB TYR 24 0.947 10.183 -7.819 175 HD1 TYR 24 HD1 TYR 24 3.100 13.227 -7.591 176 HD2 TYR 24 HD2 TYR 24 1.238 10.348 -10.110 177 HE1 TYR 24 HE1 TYR 24 4.234 14.209 -9.541 178 HE2 TYR 24 HE2 TYR 24 2.367 11.320 -12.066 179 HH TYR 24 HH TYR 24 4.555 14.101 -11.731 180 H GLY 25 H GLY 25 0.274 11.068 -4.566 181 1HA GLY 25 2HA GLY 25 -2.486 10.463 -4.346 182 2HA GLY 25 3HA GLY 25 -1.591 9.014 -4.781 183 HA PRO 26 HA PRO 26 -1.578 9.759 -0.117 184 1HB PRO 26 2HB PRO 26 -3.033 7.572 0.569 185 2HB PRO 26 3HB PRO 26 -3.765 9.143 0.223 186 1HG PRO 26 2HG PRO 26 -3.503 6.745 -1.549 187 2HG PRO 26 3HG PRO 26 -4.893 7.821 -1.322 188 1HD PRO 26 2HD PRO 26 -3.225 8.024 -3.445 189 2HD PRO 26 3HD PRO 26 -4.035 9.432 -2.730 190 H LEU 27 H LEU 27 0.322 9.110 0.660 191 HA LEU 27 HA LEU 27 1.562 6.669 -0.268 192 1HB LEU 27 2HB LEU 27 2.392 9.095 1.141 193 2HB LEU 27 3HB LEU 27 3.181 7.628 1.717 194 HG LEU 27 HG LEU 27 3.203 8.647 -1.124 195 1HD1 LEU 27 1HD1 LEU 27 5.442 8.525 0.888 196 2HD1 LEU 27 2HD1 LEU 27 4.532 9.983 0.496 197 3HD1 LEU 27 3HD1 LEU 27 5.505 9.192 -0.744 198 1HD2 LEU 27 1HD2 LEU 27 4.163 6.141 0.167 199 2HD2 LEU 27 2HD2 LEU 27 5.118 6.847 -1.137 200 3HD2 LEU 27 3HD2 LEU 27 3.438 6.388 -1.422 201 H ARG 28 H ARG 28 2.083 4.881 0.972 202 HA ARG 28 HA ARG 28 0.459 4.556 3.388 203 1HB ARG 28 2HB ARG 28 0.183 2.907 1.567 204 2HB ARG 28 3HB ARG 28 1.879 2.472 1.721 205 1HG ARG 28 2HG ARG 28 0.525 0.834 2.839 206 2HG ARG 28 3HG ARG 28 1.449 1.742 4.037 207 1HD ARG 28 2HD ARG 28 -1.117 2.971 3.494 208 2HD ARG 28 3HD ARG 28 -1.293 1.300 4.029 209 HE ARG 28 HE ARG 28 -0.545 3.524 5.627 210 1HH1 ARG 28 1HH1 ARG 28 0.040 0.122 5.176 211 2HH1 ARG 28 2HH1 ARG 28 0.481 -0.155 6.828 212 1HH2 ARG 28 1HH2 ARG 28 0.034 3.173 7.805 213 2HH2 ARG 28 2HH2 ARG 28 0.477 1.582 8.323 214 H THR 29 H THR 29 3.749 3.893 2.207 215 HA THR 29 HA THR 29 4.802 4.468 4.856 216 HB THR 29 HB THR 29 6.129 2.092 3.917 217 HG1 THR 29 HG1 THR 29 4.440 0.651 3.985 218 1HG2 THR 29 1HG2 THR 29 5.940 1.425 6.144 219 2HG2 THR 29 2HG2 THR 29 4.422 2.293 6.375 220 3HG2 THR 29 3HG2 THR 29 5.938 3.185 6.254 221 H VAL 30 H VAL 30 6.701 5.504 4.743 222 HA VAL 30 HA VAL 30 8.172 5.412 2.188 223 HB VAL 30 HB VAL 30 7.105 7.577 2.413 224 1HG1 VAL 30 1HG1 VAL 30 6.845 8.639 4.350 225 2HG1 VAL 30 2HG1 VAL 30 7.559 7.231 5.140 226 3HG1 VAL 30 3HG1 VAL 30 8.578 8.595 4.677 227 1HG2 VAL 30 1HG2 VAL 30 8.946 8.890 1.916 228 2HG2 VAL 30 2HG2 VAL 30 9.962 8.106 3.126 229 3HG2 VAL 30 3HG2 VAL 30 9.561 7.262 1.630 230 H TRP 31 H TRP 31 10.273 4.914 2.292 231 HA TRP 31 HA TRP 31 11.718 5.248 4.811 232 1HB TRP 31 2HB TRP 31 10.675 2.815 4.260 233 2HB TRP 31 3HB TRP 31 12.221 2.680 3.426 234 HD1 TRP 31 HD1 TRP 31 10.828 3.374 6.965 235 HE1 TRP 31 HE1 TRP 31 12.603 2.643 8.679 236 HE3 TRP 31 HE3 TRP 31 14.609 2.150 3.748 237 HZ2 TRP 31 HZ2 TRP 31 15.255 1.677 8.670 238 HZ3 TRP 31 HZ3 TRP 31 16.733 1.332 4.682 239 HH2 TRP 31 HH2 TRP 31 17.048 1.101 7.092 240 H ILE 32 H ILE 32 13.992 5.335 4.586 241 HA ILE 32 HA ILE 32 14.960 5.557 1.814 242 HB ILE 32 HB ILE 32 15.931 7.352 4.025 243 1HG1 ILE 32 2HG1 ILE 32 13.515 7.736 3.696 244 2HG1 ILE 32 3HG1 ILE 32 14.474 9.107 3.149 245 1HG2 ILE 32 1HG2 ILE 32 16.613 6.903 1.255 246 2HG2 ILE 32 2HG2 ILE 32 16.174 8.585 1.545 247 3HG2 ILE 32 3HG2 ILE 32 17.463 7.836 2.486 248 1HD1 ILE 32 1HD1 ILE 32 13.713 7.033 1.166 249 2HD1 ILE 32 2HD1 ILE 32 12.486 8.171 1.722 250 3HD1 ILE 32 3HD1 ILE 32 13.959 8.767 0.956 251 H ALA 33 H ALA 33 17.103 4.966 1.442 252 HA ALA 33 HA ALA 33 18.315 3.379 3.602 253 1HB ALA 33 1HB ALA 33 19.074 3.117 0.719 254 2HB ALA 33 2HB ALA 33 19.192 1.930 2.019 255 3HB ALA 33 3HB ALA 33 17.617 2.341 1.340 256 H ARG 34 H ARG 34 19.754 4.620 4.650 257 HA ARG 34 HA ARG 34 21.299 6.644 3.324 258 1HB ARG 34 2HB ARG 34 20.872 5.726 6.086 259 2HB ARG 34 3HB ARG 34 22.492 6.329 5.762 260 1HG ARG 34 2HG ARG 34 21.603 8.441 5.012 261 2HG ARG 34 3HG ARG 34 19.953 7.840 5.189 262 1HD ARG 34 2HD ARG 34 21.923 8.029 7.460 263 2HD ARG 34 3HD ARG 34 20.762 9.296 7.064 264 HE ARG 34 HE ARG 34 20.219 6.783 8.362 265 1HH1 ARG 34 1HH1 ARG 34 18.887 9.426 6.530 266 2HH1 ARG 34 2HH1 ARG 34 17.268 9.172 7.094 267 1HH2 ARG 34 1HH2 ARG 34 18.093 6.439 9.112 268 2HH2 ARG 34 2HH2 ARG 34 16.818 7.473 8.563 269 H ASN 35 H ASN 35 21.765 3.323 4.262 270 HA ASN 35 HA ASN 35 24.493 3.063 4.365 271 1HB ASN 35 2HB ASN 35 22.244 1.303 3.700 272 2HB ASN 35 3HB ASN 35 23.764 0.814 2.955 273 1HD2 ASN 35 1HD2 ASN 35 24.415 -0.858 4.130 274 2HD2 ASN 35 2HD2 ASN 35 24.620 -0.856 5.845 275 HA PRO 36 HA PRO 36 24.730 2.572 -0.433 276 1HB PRO 36 2HB PRO 36 22.501 3.171 -1.863 277 2HB PRO 36 3HB PRO 36 22.836 1.551 -1.240 278 1HG PRO 36 2HG PRO 36 21.053 3.680 -0.121 279 2HG PRO 36 3HG PRO 36 20.759 1.937 -0.269 280 1HD PRO 36 2HD PRO 36 21.518 3.094 2.059 281 2HD PRO 36 3HD PRO 36 21.991 1.441 1.614 282 HA PRO 37 HA PRO 37 25.470 6.789 -1.433 283 1HB PRO 37 2HB PRO 37 25.460 6.801 -4.148 284 2HB PRO 37 3HB PRO 37 26.757 6.070 -3.195 285 1HG PRO 37 2HG PRO 37 24.422 4.761 -4.536 286 2HG PRO 37 3HG PRO 37 26.117 4.240 -4.480 287 1HD PRO 37 2HD PRO 37 24.210 3.169 -2.883 288 2HD PRO 37 3HD PRO 37 25.901 3.339 -2.370 289 H GLY 38 H GLY 38 22.717 5.345 -3.127 290 1HA GLY 38 2HA GLY 38 21.021 7.543 -2.464 291 2HA GLY 38 3HA GLY 38 21.487 7.587 -4.158 292 H PHE 39 H PHE 39 19.861 5.675 -1.689 293 HA PHE 39 HA PHE 39 18.087 4.612 -3.739 294 1HB PHE 39 2HB PHE 39 19.873 2.936 -2.000 295 2HB PHE 39 3HB PHE 39 18.328 2.306 -2.564 296 HD1 PHE 39 HD1 PHE 39 21.515 1.810 -3.159 297 HD2 PHE 39 HD2 PHE 39 18.148 3.327 -5.274 298 HE1 PHE 39 HE1 PHE 39 22.564 1.161 -5.288 299 HE2 PHE 39 HE2 PHE 39 19.191 2.680 -7.406 300 HZ PHE 39 HZ PHE 39 21.402 1.595 -7.415 301 H ALA 40 H ALA 40 16.046 4.697 -3.070 302 HA ALA 40 HA ALA 40 15.489 4.573 -0.185 303 1HB ALA 40 1HB ALA 40 15.074 6.774 -0.271 304 2HB ALA 40 2HB ALA 40 14.953 6.783 -2.031 305 3HB ALA 40 3HB ALA 40 13.568 6.294 -1.054 306 H PHE 41 H PHE 41 13.400 3.813 0.379 307 HA PHE 41 HA PHE 41 12.070 2.319 -1.784 308 1HB PHE 41 2HB PHE 41 13.050 1.478 0.792 309 2HB PHE 41 3HB PHE 41 11.313 1.209 0.692 310 HD1 PHE 41 HD1 PHE 41 14.039 0.944 -1.838 311 HD2 PHE 41 HD2 PHE 41 10.928 -1.021 0.302 312 HE1 PHE 41 HE1 PHE 41 14.436 -1.101 -3.147 313 HE2 PHE 41 HE2 PHE 41 11.321 -3.070 -1.003 314 HZ PHE 41 HZ PHE 41 13.077 -3.112 -2.730 315 H VAL 42 H VAL 42 9.822 2.272 -1.856 316 HA VAL 42 HA VAL 42 8.375 3.985 0.033 317 HB VAL 42 HB VAL 42 7.093 4.549 -2.328 318 1HG1 VAL 42 1HG1 VAL 42 9.256 6.138 -0.950 319 2HG1 VAL 42 2HG1 VAL 42 8.071 6.792 -2.082 320 3HG1 VAL 42 3HG1 VAL 42 7.542 6.125 -0.537 321 1HG2 VAL 42 1HG2 VAL 42 8.784 5.263 -3.920 322 2HG2 VAL 42 2HG2 VAL 42 10.061 4.660 -2.864 323 3HG2 VAL 42 3HG2 VAL 42 8.929 3.533 -3.610 324 H GLU 43 H GLU 43 6.126 3.561 0.177 325 HA GLU 43 HA GLU 43 5.208 1.114 -1.166 326 1HB GLU 43 2HB GLU 43 4.587 1.668 1.727 327 2HB GLU 43 3HB GLU 43 4.373 0.169 0.833 328 1HG GLU 43 2HG GLU 43 6.992 1.412 1.642 329 2HG GLU 43 3HG GLU 43 6.239 -0.016 2.350 330 H PHE 44 H PHE 44 3.422 1.535 -2.263 331 HA PHE 44 HA PHE 44 1.705 3.750 -1.390 332 1HB PHE 44 2HB PHE 44 2.593 2.789 -3.971 333 2HB PHE 44 3HB PHE 44 0.836 2.869 -3.904 334 HD1 PHE 44 HD1 PHE 44 3.404 4.598 -5.122 335 HD2 PHE 44 HD2 PHE 44 0.233 5.172 -2.340 336 HE1 PHE 44 HE1 PHE 44 3.506 7.025 -5.512 337 HE2 PHE 44 HE2 PHE 44 0.330 7.600 -2.727 338 HZ PHE 44 HZ PHE 44 1.967 8.530 -4.315 339 H GLU 45 H GLU 45 -0.111 3.268 -0.364 340 HA GLU 45 HA GLU 45 -1.052 0.693 0.106 341 1HB GLU 45 2HB GLU 45 -3.207 1.873 0.765 342 2HB GLU 45 3HB GLU 45 -1.746 2.385 1.597 343 1HG GLU 45 2HG GLU 45 -1.960 4.470 0.878 344 2HG GLU 45 3HG GLU 45 -2.205 3.948 -0.787 345 H ASP 46 H ASP 46 -1.669 2.872 -2.534 346 HA ASP 46 HA ASP 46 -3.498 0.878 -3.704 347 1HB ASP 46 2HB ASP 46 -3.974 3.620 -3.192 348 2HB ASP 46 3HB ASP 46 -3.809 3.452 -4.938 349 HA PRO 47 HA PRO 47 -0.618 0.464 -7.001 350 1HB PRO 47 2HB PRO 47 -2.294 -0.398 -8.955 351 2HB PRO 47 3HB PRO 47 -1.796 -1.416 -7.599 352 1HG PRO 47 2HG PRO 47 -4.330 0.132 -7.975 353 2HG PRO 47 3HG PRO 47 -4.106 -1.513 -7.352 354 1HD PRO 47 2HD PRO 47 -4.511 0.616 -5.730 355 2HD PRO 47 3HD PRO 47 -3.514 -0.772 -5.252 356 H ARG 48 H ARG 48 -3.683 2.074 -7.840 357 HA ARG 48 HA ARG 48 -2.944 3.315 -10.182 358 1HB ARG 48 2HB ARG 48 -5.226 3.359 -9.265 359 2HB ARG 48 3HB ARG 48 -4.695 4.456 -7.997 360 1HG ARG 48 2HG ARG 48 -3.956 5.961 -9.988 361 2HG ARG 48 3HG ARG 48 -5.097 4.975 -10.905 362 1HD ARG 48 2HD ARG 48 -5.649 6.700 -8.501 363 2HD ARG 48 3HD ARG 48 -6.285 6.884 -10.135 364 HE ARG 48 HE ARG 48 -7.098 4.393 -9.238 365 1HH1 ARG 48 1HH1 ARG 48 -7.557 7.727 -8.350 366 2HH1 ARG 48 2HH1 ARG 48 -9.135 7.469 -7.685 367 1HH2 ARG 48 1HH2 ARG 48 -9.175 4.039 -8.365 368 2HH2 ARG 48 2HH2 ARG 48 -10.055 5.370 -7.693 369 H ASP 49 H ASP 49 -2.388 4.406 -6.861 370 HA ASP 49 HA ASP 49 -1.213 6.890 -7.569 371 1HB ASP 49 2HB ASP 49 -0.686 5.351 -5.027 372 2HB ASP 49 3HB ASP 49 -0.619 7.094 -5.269 373 H ALA 50 H ALA 50 0.058 3.658 -7.049 374 HA ALA 50 HA ALA 50 2.805 4.399 -7.042 375 1HB ALA 50 1HB ALA 50 3.213 2.217 -6.675 376 2HB ALA 50 2HB ALA 50 1.473 2.138 -6.393 377 3HB ALA 50 3HB ALA 50 2.133 1.689 -7.966 378 H GLU 51 H GLU 51 0.592 3.227 -9.549 379 HA GLU 51 HA GLU 51 2.531 3.059 -11.604 380 1HB GLU 51 2HB GLU 51 -0.290 2.636 -11.328 381 2HB GLU 51 3HB GLU 51 0.004 3.617 -12.757 382 1HG GLU 51 2HG GLU 51 1.212 1.964 -13.812 383 2HG GLU 51 3HG GLU 51 1.617 1.151 -12.302 384 H ASP 52 H ASP 52 0.158 5.567 -10.765 385 HA ASP 52 HA ASP 52 0.855 7.350 -12.837 386 1HB ASP 52 2HB ASP 52 -0.520 7.718 -10.182 387 2HB ASP 52 3HB ASP 52 -0.216 9.077 -11.260 388 H ALA 53 H ALA 53 1.995 7.010 -9.508 389 HA ALA 53 HA ALA 53 3.606 9.319 -9.445 390 1HB ALA 53 1HB ALA 53 3.633 6.760 -7.879 391 2HB ALA 53 2HB ALA 53 4.825 8.030 -7.603 392 3HB ALA 53 3HB ALA 53 3.109 8.365 -7.368 393 H VAL 54 H VAL 54 4.500 5.913 -10.019 394 HA VAL 54 HA VAL 54 7.205 6.376 -10.578 395 HB VAL 54 HB VAL 54 5.423 4.164 -11.608 396 1HG1 VAL 54 1HG1 VAL 54 7.165 3.614 -12.885 397 2HG1 VAL 54 2HG1 VAL 54 8.210 4.801 -12.102 398 3HG1 VAL 54 3HG1 VAL 54 8.006 3.199 -11.392 399 1HG2 VAL 54 1HG2 VAL 54 7.305 3.449 -9.541 400 2HG2 VAL 54 2HG2 VAL 54 6.234 4.744 -9.004 401 3HG2 VAL 54 3HG2 VAL 54 5.556 3.227 -9.593 402 H ARG 55 H ARG 55 4.629 5.638 -12.939 403 HA ARG 55 HA ARG 55 6.046 6.170 -15.243 404 1HB ARG 55 2HB ARG 55 3.109 6.615 -14.683 405 2HB ARG 55 3HB ARG 55 3.825 6.648 -16.289 406 1HG ARG 55 2HG ARG 55 4.357 4.351 -16.208 407 2HG ARG 55 3HG ARG 55 4.034 4.265 -14.475 408 1HD ARG 55 2HD ARG 55 1.851 3.928 -14.803 409 2HD ARG 55 3HD ARG 55 1.749 5.238 -15.980 410 HE ARG 55 HE ARG 55 1.995 2.438 -16.530 411 1HH1 ARG 55 1HH1 ARG 55 2.668 5.635 -17.732 412 2HH1 ARG 55 2HH1 ARG 55 2.694 5.147 -19.394 413 1HH2 ARG 55 1HH2 ARG 55 2.026 1.782 -18.715 414 2HH2 ARG 55 2HH2 ARG 55 2.328 2.955 -19.952 415 H GLY 56 H GLY 56 4.296 8.430 -13.160 416 1HA GLY 56 2HA GLY 56 4.622 10.695 -14.845 417 2HA GLY 56 3HA GLY 56 4.211 10.728 -13.137 418 H LEU 57 H LEU 57 6.105 10.221 -11.645 419 HA LEU 57 HA LEU 57 8.042 12.164 -11.857 420 1HB LEU 57 2HB LEU 57 8.369 9.518 -10.454 421 2HB LEU 57 3HB LEU 57 9.246 11.007 -10.109 422 HG LEU 57 HG LEU 57 6.290 11.079 -9.860 423 1HD1 LEU 57 1HD1 LEU 57 7.721 10.117 -7.471 424 2HD1 LEU 57 2HD1 LEU 57 7.470 8.932 -8.753 425 3HD1 LEU 57 3HD1 LEU 57 6.089 9.766 -8.040 426 1HD2 LEU 57 1HD2 LEU 57 6.754 12.652 -8.156 427 2HD2 LEU 57 2HD2 LEU 57 7.869 13.012 -9.474 428 3HD2 LEU 57 3HD2 LEU 57 8.440 12.147 -8.047 429 H ASP 58 H ASP 58 8.496 8.688 -12.518 430 HA ASP 58 HA ASP 58 11.114 8.915 -13.505 431 1HB ASP 58 2HB ASP 58 9.665 6.816 -12.834 432 2HB ASP 58 3HB ASP 58 9.276 6.801 -14.552 433 H GLY 59 H GLY 59 7.978 9.160 -15.092 434 1HA GLY 59 2HA GLY 59 9.005 9.195 -17.752 435 2HA GLY 59 3HA GLY 59 7.397 9.699 -17.254 436 H LYS 60 H LYS 60 8.852 11.557 -15.272 437 HA LYS 60 HA LYS 60 10.145 13.497 -16.944 438 1HB LYS 60 2HB LYS 60 7.320 13.594 -16.768 439 2HB LYS 60 3HB LYS 60 7.937 14.923 -15.795 440 1HG LYS 60 2HG LYS 60 8.679 14.394 -18.665 441 2HG LYS 60 3HG LYS 60 7.478 15.569 -18.122 442 1HD LYS 60 2HD LYS 60 10.326 15.625 -17.159 443 2HD LYS 60 3HD LYS 60 9.817 16.447 -18.636 444 1HE LYS 60 2HE LYS 60 8.004 17.072 -16.508 445 2HE LYS 60 3HE LYS 60 9.658 17.382 -15.983 446 1HZ LYS 60 1HZ LYS 60 9.703 18.468 -18.406 447 2HZ LYS 60 2HZ LYS 60 9.294 19.334 -17.012 448 3HZ LYS 60 3HZ LYS 60 8.077 18.724 -18.016 449 H VAL 61 H VAL 61 11.659 14.352 -15.695 450 HA VAL 61 HA VAL 61 11.998 13.959 -13.004 451 HB VAL 61 HB VAL 61 13.640 15.692 -13.003 452 1HG1 VAL 61 1HG1 VAL 61 13.620 14.649 -15.826 453 2HG1 VAL 61 2HG1 VAL 61 15.014 15.039 -14.816 454 3HG1 VAL 61 3HG1 VAL 61 14.010 13.640 -14.433 455 1HG2 VAL 61 1HG2 VAL 61 13.792 17.243 -15.019 456 2HG2 VAL 61 2HG2 VAL 61 12.134 16.759 -15.375 457 3HG2 VAL 61 3HG2 VAL 61 12.508 17.570 -13.854 458 H ILE 62 H ILE 62 11.718 15.259 -11.142 459 HA ILE 62 HA ILE 62 9.506 17.194 -11.366 460 HB ILE 62 HB ILE 62 8.721 15.298 -10.147 461 1HG1 ILE 62 2HG1 ILE 62 8.615 17.817 -9.173 462 2HG1 ILE 62 3HG1 ILE 62 7.797 16.452 -8.420 463 1HG2 ILE 62 1HG2 ILE 62 10.783 14.229 -9.572 464 2HG2 ILE 62 2HG2 ILE 62 11.238 15.562 -8.513 465 3HG2 ILE 62 3HG2 ILE 62 9.883 14.518 -8.084 466 1HD1 ILE 62 1HD1 ILE 62 9.082 17.926 -6.866 467 2HD1 ILE 62 2HD1 ILE 62 9.513 16.216 -6.801 468 3HD1 ILE 62 3HD1 ILE 62 10.556 17.357 -7.650 469 H CYS 63 H CYS 63 9.970 19.219 -10.840 470 HA CYS 63 HA CYS 63 11.174 21.041 -10.171 471 1HB CYS 63 2HB CYS 63 10.196 19.793 -7.993 472 2HB CYS 63 3HB CYS 63 11.913 19.730 -7.615 473 HG CYS 63 HG CYS 63 10.188 22.606 -8.300 474 H GLY 64 H GLY 64 12.697 19.316 -11.743 475 1HA GLY 64 2HA GLY 64 14.898 19.163 -12.411 476 2HA GLY 64 3HA GLY 64 15.333 20.162 -11.032 477 H SER 65 H SER 65 13.572 17.143 -10.765 478 HA SER 65 HA SER 65 15.982 15.884 -9.634 479 1HB SER 65 2HB SER 65 13.222 15.376 -8.539 480 2HB SER 65 3HB SER 65 14.781 15.023 -7.795 481 HG SER 65 HG SER 65 14.151 17.682 -8.402 482 H ARG 66 H ARG 66 16.469 14.516 -11.272 483 HA ARG 66 HA ARG 66 14.411 12.982 -12.605 484 1HB ARG 66 2HB ARG 66 16.278 12.047 -13.915 485 2HB ARG 66 3HB ARG 66 16.286 13.806 -13.912 486 1HG ARG 66 2HG ARG 66 17.875 13.004 -11.739 487 2HG ARG 66 3HG ARG 66 18.335 11.987 -13.105 488 1HD ARG 66 2HD ARG 66 18.196 14.383 -14.325 489 2HD ARG 66 3HD ARG 66 18.658 14.892 -12.701 490 HE ARG 66 HE ARG 66 20.288 13.496 -14.610 491 1HH1 ARG 66 1HH1 ARG 66 19.768 14.148 -11.230 492 2HH1 ARG 66 2HH1 ARG 66 21.410 13.826 -10.781 493 1HH2 ARG 66 1HH2 ARG 66 22.453 13.070 -14.032 494 2HH2 ARG 66 2HH2 ARG 66 22.937 13.213 -12.376 495 H VAL 67 H VAL 67 14.101 12.278 -10.101 496 HA VAL 67 HA VAL 67 15.718 10.261 -9.034 497 HB VAL 67 HB VAL 67 12.727 10.419 -8.681 498 1HG1 VAL 67 1HG1 VAL 67 14.983 9.333 -7.012 499 2HG1 VAL 67 2HG1 VAL 67 13.363 9.619 -6.373 500 3HG1 VAL 67 3HG1 VAL 67 13.604 8.460 -7.680 501 1HG2 VAL 67 1HG2 VAL 67 13.813 11.770 -6.560 502 2HG2 VAL 67 2HG2 VAL 67 14.812 12.313 -7.908 503 3HG2 VAL 67 3HG2 VAL 67 13.061 12.516 -7.971 504 H ARG 68 H ARG 68 15.342 7.970 -8.897 505 HA ARG 68 HA ARG 68 14.196 6.890 -11.382 506 1HB ARG 68 2HB ARG 68 16.471 6.044 -9.632 507 2HB ARG 68 3HB ARG 68 15.629 4.832 -10.589 508 1HG ARG 68 2HG ARG 68 16.742 7.335 -11.812 509 2HG ARG 68 3HG ARG 68 17.710 5.875 -11.599 510 1HD ARG 68 2HD ARG 68 15.125 6.076 -13.140 511 2HD ARG 68 3HD ARG 68 16.740 5.993 -13.842 512 HE ARG 68 HE ARG 68 16.280 3.782 -12.135 513 1HH1 ARG 68 1HH1 ARG 68 15.450 5.055 -15.267 514 2HH1 ARG 68 2HH1 ARG 68 15.174 3.496 -15.972 515 1HH2 ARG 68 1HH2 ARG 68 15.919 1.724 -13.051 516 2HH2 ARG 68 2HH2 ARG 68 15.439 1.603 -14.710 517 H VAL 69 H VAL 69 12.147 6.298 -10.998 518 HA VAL 69 HA VAL 69 11.560 4.800 -8.533 519 HB VAL 69 HB VAL 69 9.520 6.046 -10.369 520 1HG1 VAL 69 1HG1 VAL 69 7.980 5.699 -8.642 521 2HG1 VAL 69 2HG1 VAL 69 8.936 4.216 -8.674 522 3HG1 VAL 69 3HG1 VAL 69 9.246 5.439 -7.443 523 1HG2 VAL 69 1HG2 VAL 69 11.194 7.277 -8.250 524 2HG2 VAL 69 2HG2 VAL 69 10.532 7.984 -9.724 525 3HG2 VAL 69 3HG2 VAL 69 9.493 7.737 -8.321 526 H GLU 70 H GLU 70 10.747 2.768 -8.620 527 HA GLU 70 HA GLU 70 9.769 1.664 -11.114 528 1HB GLU 70 2HB GLU 70 12.474 1.201 -10.181 529 2HB GLU 70 3HB GLU 70 11.570 -0.303 -10.278 530 1HG GLU 70 2HG GLU 70 10.937 0.363 -12.622 531 2HG GLU 70 3HG GLU 70 12.116 1.665 -12.479 532 H LEU 71 H LEU 71 8.881 -0.519 -10.838 533 HA LEU 71 HA LEU 71 7.928 -0.914 -8.082 534 1HB LEU 71 2HB LEU 71 6.599 -0.838 -10.615 535 2HB LEU 71 3HB LEU 71 6.380 -2.430 -9.889 536 HG LEU 71 HG LEU 71 5.396 -1.416 -7.910 537 1HD1 LEU 71 1HD1 LEU 71 5.914 1.188 -9.334 538 2HD1 LEU 71 2HD1 LEU 71 6.602 0.654 -7.801 539 3HD1 LEU 71 3HD1 LEU 71 4.879 1.011 -7.917 540 1HD2 LEU 71 1HD2 LEU 71 3.906 -1.999 -9.725 541 2HD2 LEU 71 2HD2 LEU 71 4.186 -0.436 -10.494 542 3HD2 LEU 71 3HD2 LEU 71 3.347 -0.519 -8.945 543 H SER 72 H SER 72 9.091 -2.437 -7.099 544 HA SER 72 HA SER 72 10.401 -4.552 -8.505 545 1HB SER 72 2HB SER 72 9.934 -4.363 -5.524 546 2HB SER 72 3HB SER 72 11.199 -5.266 -6.356 547 HG SER 72 HG SER 72 12.266 -3.481 -5.897 548 H THR 73 H THR 73 7.329 -4.159 -6.966 549 HA THR 73 HA THR 73 6.539 -6.814 -7.846 550 HB THR 73 HB THR 73 6.106 -6.001 -4.968 551 HG1 THR 73 HG1 THR 73 7.738 -8.159 -5.745 552 1HG2 THR 73 1HG2 THR 73 4.594 -7.636 -4.933 553 2HG2 THR 73 2HG2 THR 73 5.833 -8.787 -5.433 554 3HG2 THR 73 3HG2 THR 73 4.873 -7.943 -6.647 555 H GLY 74 H GLY 74 4.458 -6.883 -8.509 556 1HA GLY 74 2HA GLY 74 2.168 -6.270 -8.456 557 2HA GLY 74 3HA GLY 74 2.611 -4.789 -7.620 558 H MET 75 H MET 75 4.409 -5.776 -10.415 559 HA MET 75 HA MET 75 2.957 -3.815 -12.058 560 1HB MET 75 2HB MET 75 4.927 -2.670 -11.329 561 2HB MET 75 3HB MET 75 5.942 -4.061 -11.688 562 1HG MET 75 2HG MET 75 5.913 -3.673 -13.951 563 2HG MET 75 3HG MET 75 4.395 -2.779 -13.886 564 1HE MET 75 1HE MET 75 7.738 -0.619 -15.051 565 2HE MET 75 2HE MET 75 7.448 -2.354 -15.180 566 3HE MET 75 3HE MET 75 6.221 -1.211 -15.728 567 HA PRO 76 HA PRO 76 3.205 -7.780 -14.357 568 1HB PRO 76 2HB PRO 76 0.799 -7.462 -15.575 569 2HB PRO 76 3HB PRO 76 0.972 -8.141 -13.952 570 1HG PRO 76 2HG PRO 76 0.238 -5.357 -14.771 571 2HG PRO 76 3HG PRO 76 -0.467 -6.372 -13.499 572 1HD PRO 76 2HD PRO 76 1.325 -4.411 -12.973 573 2HD PRO 76 3HD PRO 76 1.226 -5.898 -12.008 574 H ARG 77 H ARG 77 4.475 -7.697 -16.095 575 HA ARG 77 HA ARG 77 3.888 -5.687 -18.168 576 1HB ARG 77 2HB ARG 77 6.198 -5.844 -16.678 577 2HB ARG 77 3HB ARG 77 6.625 -6.725 -18.139 578 1HG ARG 77 2HG ARG 77 6.609 -4.876 -19.423 579 2HG ARG 77 3HG ARG 77 5.257 -4.151 -18.551 580 1HD ARG 77 2HD ARG 77 6.737 -3.539 -16.723 581 2HD ARG 77 3HD ARG 77 8.091 -4.324 -17.535 582 HE ARG 77 HE ARG 77 6.834 -2.271 -19.105 583 1HH1 ARG 77 1HH1 ARG 77 9.227 -2.954 -16.670 584 2HH1 ARG 77 2HH1 ARG 77 10.162 -1.535 -17.006 585 1HH2 ARG 77 1HH2 ARG 77 8.057 -0.399 -19.556 586 2HH2 ARG 77 2HH2 ARG 77 9.496 -0.082 -18.647 587 H ARG 78 H ARG 78 5.091 -6.404 -20.303 588 HA ARG 78 HA ARG 78 3.999 -9.019 -20.946 589 1HB ARG 78 2HB ARG 78 4.458 -8.394 -23.281 590 2HB ARG 78 3HB ARG 78 3.511 -7.166 -22.451 591 1HG ARG 78 2HG ARG 78 4.978 -5.697 -23.234 592 2HG ARG 78 3HG ARG 78 6.111 -6.347 -22.047 593 1HD ARG 78 2HD ARG 78 7.244 -6.407 -24.114 594 2HD ARG 78 3HD ARG 78 6.742 -8.067 -23.794 595 HE ARG 78 HE ARG 78 4.737 -6.908 -25.312 596 1HH1 ARG 78 1HH1 ARG 78 8.121 -7.653 -25.656 597 2HH1 ARG 78 2HH1 ARG 78 8.031 -7.873 -27.372 598 1HH2 ARG 78 1HH2 ARG 78 4.607 -7.196 -27.571 599 2HH2 ARG 78 2HH2 ARG 78 6.032 -7.612 -28.460 600 H SER 79 H SER 79 6.943 -7.773 -19.961 601 HA SER 79 HA SER 79 8.742 -9.302 -21.528 602 1HB SER 79 2HB SER 79 9.126 -8.189 -18.738 603 2HB SER 79 3HB SER 79 10.407 -8.735 -19.820 604 HG SER 79 HG SER 79 9.210 -6.342 -19.711 605 H ARG 80 H ARG 80 10.201 -10.990 -20.543 606 HA ARG 80 HA ARG 80 8.557 -13.125 -19.525 607 1HB ARG 80 2HB ARG 80 11.470 -12.949 -20.291 608 2HB ARG 80 3HB ARG 80 10.746 -14.411 -19.634 609 1HG ARG 80 2HG ARG 80 9.053 -13.653 -21.706 610 2HG ARG 80 3HG ARG 80 10.683 -13.371 -22.320 611 1HD ARG 80 2HD ARG 80 11.011 -15.779 -21.145 612 2HD ARG 80 3HD ARG 80 9.320 -15.892 -21.630 613 HE ARG 80 HE ARG 80 10.021 -16.127 -23.784 614 1HH1 ARG 80 1HH1 ARG 80 12.565 -14.612 -21.954 615 2HH1 ARG 80 2HH1 ARG 80 13.697 -14.629 -23.266 616 1HH2 ARG 80 1HH2 ARG 80 11.501 -16.156 -25.519 617 2HH2 ARG 80 2HH2 ARG 80 13.090 -15.507 -25.294 618 H PHE 81 H PHE 81 8.406 -11.327 -17.603 619 HA PHE 81 HA PHE 81 10.437 -11.348 -15.650 620 1HB PHE 81 2HB PHE 81 8.764 -10.423 -14.144 621 2HB PHE 81 3HB PHE 81 8.619 -9.670 -15.729 622 HD1 PHE 81 HD1 PHE 81 7.088 -12.031 -13.372 623 HD2 PHE 81 HD2 PHE 81 6.666 -9.968 -17.071 624 HE1 PHE 81 HE1 PHE 81 4.704 -12.638 -13.435 625 HE2 PHE 81 HE2 PHE 81 4.282 -10.571 -17.139 626 HZ PHE 81 HZ PHE 81 3.298 -11.907 -15.319 627 H ASP 82 H ASP 82 10.900 -12.699 -14.006 628 HA ASP 82 HA ASP 82 9.507 -15.260 -13.955 629 1HB ASP 82 2HB ASP 82 12.102 -14.863 -13.973 630 2HB ASP 82 3HB ASP 82 11.882 -14.636 -12.240 631 H ARG 83 H ARG 83 10.258 -12.543 -11.834 632 HA ARG 83 HA ARG 83 9.108 -13.690 -9.496 633 1HB ARG 83 2HB ARG 83 10.758 -11.635 -9.847 634 2HB ARG 83 3HB ARG 83 9.248 -10.733 -9.833 635 1HG ARG 83 2HG ARG 83 9.897 -10.671 -7.621 636 2HG ARG 83 3HG ARG 83 8.767 -12.026 -7.649 637 1HD ARG 83 2HD ARG 83 10.534 -13.610 -7.640 638 2HD ARG 83 3HD ARG 83 11.740 -12.365 -7.960 639 HE ARG 83 HE ARG 83 10.328 -11.915 -5.518 640 1HH1 ARG 83 1HH1 ARG 83 12.929 -13.706 -6.980 641 2HH1 ARG 83 2HH1 ARG 83 13.800 -13.907 -5.496 642 1HH2 ARG 83 1HH2 ARG 83 11.464 -12.172 -3.557 643 2HH2 ARG 83 2HH2 ARG 83 12.965 -13.035 -3.549 644 HA PRO 84 HA PRO 84 4.852 -13.110 -10.623 645 1HB PRO 84 2HB PRO 84 3.803 -13.834 -8.225 646 2HB PRO 84 3HB PRO 84 4.435 -15.004 -9.389 647 1HG PRO 84 2HG PRO 84 5.743 -13.862 -6.951 648 2HG PRO 84 3HG PRO 84 5.733 -15.536 -7.534 649 1HD PRO 84 2HD PRO 84 7.835 -13.873 -7.918 650 2HD PRO 84 3HD PRO 84 7.395 -15.141 -9.081 651 HA PRO 85 HA PRO 85 4.604 -8.919 -8.962 652 1HB PRO 85 2HB PRO 85 2.729 -8.086 -10.740 653 2HB PRO 85 3HB PRO 85 4.449 -8.189 -11.135 654 1HG PRO 85 2HG PRO 85 2.242 -10.113 -11.762 655 2HG PRO 85 3HG PRO 85 3.568 -9.554 -12.799 656 1HD PRO 85 2HD PRO 85 3.615 -11.950 -11.537 657 2HD PRO 85 3HD PRO 85 5.087 -11.009 -11.855 658 H ALA 86 H ALA 86 3.168 -7.927 -7.598 659 HA ALA 86 HA ALA 86 1.099 -9.512 -6.463 660 1HB ALA 86 1HB ALA 86 2.312 -8.013 -5.050 661 2HB ALA 86 2HB ALA 86 1.862 -6.628 -6.045 662 3HB ALA 86 3HB ALA 86 0.633 -7.473 -5.103 663 H ARG 87 H ARG 87 -0.286 -9.930 -8.261 664 HA ARG 87 HA ARG 87 -2.171 -7.736 -8.754 665 1HB ARG 87 2HB ARG 87 -1.041 -9.577 -10.869 666 2HB ARG 87 3HB ARG 87 -2.367 -8.450 -11.122 667 1HG ARG 87 2HG ARG 87 0.399 -7.631 -10.266 668 2HG ARG 87 3HG ARG 87 -0.162 -7.649 -11.939 669 1HD ARG 87 2HD ARG 87 -1.522 -6.105 -9.741 670 2HD ARG 87 3HD ARG 87 -0.278 -5.419 -10.785 671 HE ARG 87 HE ARG 87 -2.319 -6.567 -12.355 672 1HH1 ARG 87 1HH1 ARG 87 -1.693 -3.836 -10.289 673 2HH1 ARG 87 2HH1 ARG 87 -2.836 -2.805 -11.085 674 1HH2 ARG 87 1HH2 ARG 87 -3.827 -5.220 -13.412 675 2HH2 ARG 87 2HH2 ARG 87 -4.050 -3.594 -12.861 676 H ARG 88 H ARG 88 -2.136 -10.168 -7.038 677 HA ARG 88 HA ARG 88 -4.168 -11.864 -8.249 678 1HB ARG 88 2HB ARG 88 -2.645 -12.004 -5.650 679 2HB ARG 88 3HB ARG 88 -3.961 -13.105 -6.036 680 1HG ARG 88 2HG ARG 88 -2.686 -13.736 -8.108 681 2HG ARG 88 3HG ARG 88 -1.330 -12.813 -7.457 682 1HD ARG 88 2HD ARG 88 -2.028 -14.376 -5.330 683 2HD ARG 88 3HD ARG 88 -2.362 -15.444 -6.692 684 HE ARG 88 HE ARG 88 -0.114 -15.673 -6.988 685 1HH1 ARG 88 1HH1 ARG 88 -0.703 -12.774 -5.152 686 2HH1 ARG 88 2HH1 ARG 88 0.977 -12.455 -4.870 687 1HH2 ARG 88 1HH2 ARG 88 2.100 -15.263 -6.625 688 2HH2 ARG 88 2HH2 ARG 88 2.570 -13.871 -5.709 689 H LYS 89 H LYS 89 -5.702 -10.031 -8.326 690 HA LYS 89 HA LYS 89 -7.464 -10.139 -6.050 691 1HB LYS 89 2HB LYS 89 -5.679 -8.233 -5.730 692 2HB LYS 89 3HB LYS 89 -6.693 -7.368 -6.878 693 1HG LYS 89 2HG LYS 89 -8.400 -7.126 -5.404 694 2HG LYS 89 3HG LYS 89 -8.042 -8.639 -4.568 695 1HD LYS 89 2HD LYS 89 -6.519 -7.666 -3.176 696 2HD LYS 89 3HD LYS 89 -6.044 -6.453 -4.366 697 1HE LYS 89 2HE LYS 89 -7.538 -4.973 -3.606 698 2HE LYS 89 3HE LYS 89 -8.814 -6.184 -3.508 699 1HZ LYS 89 1HZ LYS 89 -6.930 -6.682 -1.487 700 2HZ LYS 89 2HZ LYS 89 -8.556 -6.248 -1.325 701 3HZ LYS 89 3HZ LYS 89 -7.367 -5.049 -1.415 702 H LEU 90 H LEU 90 -9.483 -8.822 -6.476 703 HA LEU 90 HA LEU 90 -10.008 -8.165 -9.243 704 1HB LEU 90 2HB LEU 90 -10.328 -10.719 -8.792 705 2HB LEU 90 3HB LEU 90 -11.825 -10.196 -8.023 706 HG LEU 90 HG LEU 90 -12.423 -9.084 -10.208 707 1HD1 LEU 90 1HD1 LEU 90 -11.235 -10.154 -12.192 708 2HD1 LEU 90 2HD1 LEU 90 -9.953 -10.566 -11.054 709 3HD1 LEU 90 3HD1 LEU 90 -10.377 -8.876 -11.330 710 1HD2 LEU 90 1HD2 LEU 90 -12.310 -11.962 -9.612 711 2HD2 LEU 90 2HD2 LEU 90 -12.603 -11.552 -11.303 712 3HD2 LEU 90 3HD2 LEU 90 -13.682 -10.942 -10.047 713 H LEU 91 H LEU 91 -10.542 -6.115 -8.543 714 HA LEU 91 HA LEU 91 -13.210 -5.817 -7.503 715 1HB LEU 91 2HB LEU 91 -11.293 -5.938 -5.607 716 2HB LEU 91 3HB LEU 91 -11.272 -4.212 -5.967 717 HG LEU 91 HG LEU 91 -12.700 -4.616 -4.075 718 1HD1 LEU 91 1HD1 LEU 91 -13.389 -2.870 -5.629 719 2HD1 LEU 91 2HD1 LEU 91 -14.788 -3.648 -4.889 720 3HD1 LEU 91 3HD1 LEU 91 -14.332 -4.045 -6.546 721 1HD2 LEU 91 1HD2 LEU 91 -13.804 -6.757 -5.822 722 2HD2 LEU 91 2HD2 LEU 91 -14.886 -5.960 -4.679 723 3HD2 LEU 91 3HD2 LEU 91 -13.436 -6.781 -4.097 724 H GLU 92 H GLU 92 -10.184 -3.989 -7.985 725 HA GLU 92 HA GLU 92 -11.647 -1.717 -9.016 726 1HB GLU 92 2HB GLU 92 -9.204 -2.035 -7.749 727 2HB GLU 92 3HB GLU 92 -8.758 -1.671 -9.410 728 1HG GLU 92 2HG GLU 92 -9.778 0.417 -9.358 729 2HG GLU 92 3HG GLU 92 -10.759 0.008 -7.952 730 H VAL 93 H VAL 93 -9.838 -4.421 -10.256 731 HA VAL 93 HA VAL 93 -10.020 -3.341 -12.983 732 HB VAL 93 HB VAL 93 -8.493 -5.797 -12.131 733 1HG1 VAL 93 1HG1 VAL 93 -8.899 -5.729 -14.484 734 2HG1 VAL 93 2HG1 VAL 93 -8.412 -4.035 -14.574 735 3HG1 VAL 93 3HG1 VAL 93 -7.215 -5.280 -14.216 736 1HG2 VAL 93 1HG2 VAL 93 -7.142 -4.415 -11.003 737 2HG2 VAL 93 2HG2 VAL 93 -6.612 -3.852 -12.588 738 3HG2 VAL 93 3HG2 VAL 93 -7.870 -2.976 -11.716 739 H LEU 94 H LEU 94 -10.816 -4.667 -14.687 740 HA LEU 94 HA LEU 94 -12.346 -7.033 -13.909 741 1HB LEU 94 2HB LEU 94 -13.483 -4.477 -14.514 742 2HB LEU 94 3HB LEU 94 -13.947 -5.634 -15.759 743 HG LEU 94 HG LEU 94 -15.643 -5.511 -14.031 744 1HD1 LEU 94 1HD1 LEU 94 -14.049 -8.057 -14.135 745 2HD1 LEU 94 2HD1 LEU 94 -15.493 -7.632 -15.052 746 3HD1 LEU 94 3HD1 LEU 94 -15.608 -7.937 -13.319 747 1HD2 LEU 94 1HD2 LEU 94 -15.274 -5.716 -11.786 748 2HD2 LEU 94 2HD2 LEU 94 -13.759 -4.953 -12.270 749 3HD2 LEU 94 3HD2 LEU 94 -13.823 -6.695 -11.999 750 H PHE 95 H PHE 95 -13.319 -8.082 -15.944 751 HA PHE 95 HA PHE 95 -12.996 -9.099 -17.952 752 1HB PHE 95 2HB PHE 95 -12.949 -6.523 -18.582 753 2HB PHE 95 3HB PHE 95 -11.264 -6.881 -18.946 754 HD1 PHE 95 HD1 PHE 95 -14.709 -8.101 -19.650 755 HD2 PHE 95 HD2 PHE 95 -10.700 -7.709 -21.025 756 HE1 PHE 95 HE1 PHE 95 -15.379 -8.988 -21.845 757 HE2 PHE 95 HE2 PHE 95 -11.364 -8.595 -23.222 758 HZ PHE 95 HZ PHE 95 -13.706 -9.235 -23.635 759 H ASN 96 H ASN 96 -11.291 -9.823 -15.904 760 HA ASN 96 HA ASN 96 -8.741 -10.268 -17.314 761 1HB ASN 96 2HB ASN 96 -8.986 -10.529 -14.338 762 2HB ASN 96 3HB ASN 96 -7.566 -10.152 -15.310 763 1HD2 ASN 96 1HD2 ASN 96 -10.380 -8.910 -13.744 764 2HD2 ASN 96 2HD2 ASN 96 -10.016 -7.234 -13.953 765 H GLY 97 H GLY 97 -11.341 -11.806 -17.291 766 1HA GLY 97 2HA GLY 97 -11.883 -14.034 -17.484 767 2HA GLY 97 3HA GLY 97 -10.185 -14.407 -17.225 768 HA PRO 98 HA PRO 98 -12.155 -14.086 -12.819 769 1HB PRO 98 2HB PRO 98 -14.857 -13.851 -12.708 770 2HB PRO 98 3HB PRO 98 -13.773 -12.456 -12.759 771 1HG PRO 98 2HG PRO 98 -15.325 -13.731 -14.978 772 2HG PRO 98 3HG PRO 98 -15.096 -12.010 -14.619 773 1HD PRO 98 2HD PRO 98 -13.685 -13.298 -16.538 774 2HD PRO 98 3HD PRO 98 -13.008 -11.955 -15.594 775 H LEU 99 H LEU 99 -13.764 -15.731 -15.442 776 HA LEU 99 HA LEU 99 -14.387 -17.999 -13.680 777 1HB LEU 99 2HB LEU 99 -15.325 -17.438 -16.489 778 2HB LEU 99 3HB LEU 99 -15.831 -18.791 -15.480 779 HG LEU 99 HG LEU 99 -16.396 -15.881 -14.914 780 1HD1 LEU 99 1HD1 LEU 99 -18.428 -17.950 -15.648 781 2HD1 LEU 99 2HD1 LEU 99 -17.560 -17.057 -16.896 782 3HD1 LEU 99 3HD1 LEU 99 -18.547 -16.192 -15.718 783 1HD2 LEU 99 1HD2 LEU 99 -16.201 -17.219 -12.885 784 2HD2 LEU 99 2HD2 LEU 99 -17.344 -18.393 -13.538 785 3HD2 LEU 99 3HD2 LEU 99 -17.877 -16.751 -13.174 786 H GLU 100 H GLU 100 -12.874 -19.516 -13.611 787 HA GLU 100 HA GLU 100 -11.059 -19.874 -15.863 788 1HB GLU 100 2HB GLU 100 -9.677 -21.124 -14.389 789 2HB GLU 100 3HB GLU 100 -10.252 -19.737 -13.475 790 1HG GLU 100 2HG GLU 100 -12.097 -21.323 -12.641 791 2HG GLU 100 3HG GLU 100 -11.047 -22.609 -13.233 792 H HIS 101 H HIS 101 -14.021 -20.896 -15.346 793 HA HIS 101 HA HIS 101 -15.286 -22.666 -16.010 794 1HB HIS 101 2HB HIS 101 -14.331 -22.406 -18.172 795 2HB HIS 101 3HB HIS 101 -12.806 -23.125 -17.664 796 HD1 HIS 101 HD1 HIS 101 -16.347 -24.055 -18.536 797 HD2 HIS 101 HD2 HIS 101 -12.681 -25.881 -17.833 798 HE1 HIS 101 HE1 HIS 101 -16.650 -26.457 -19.217 Start of MODEL 7 1 1H MET 1 H MET 1 1.931 1.424 2.169 2 HA MET 1 HA MET 1 1.492 -0.403 0.057 3 1HB MET 1 2HB MET 1 0.404 2.138 -0.411 4 2HB MET 1 3HB MET 1 1.905 2.102 -1.326 5 1HG MET 1 2HG MET 1 -0.384 0.163 -1.534 6 2HG MET 1 3HG MET 1 0.096 1.374 -2.721 7 1HE MET 1 1HE MET 1 -0.069 -0.447 -4.480 8 2HE MET 1 2HE MET 1 1.041 -1.804 -4.668 9 3HE MET 1 3HE MET 1 -0.248 -1.879 -3.467 10 H LYS 2 H LYS 2 3.402 -1.043 -0.787 11 HA LYS 2 HA LYS 2 5.801 0.240 0.238 12 1HB LYS 2 2HB LYS 2 5.475 -2.301 -1.368 13 2HB LYS 2 3HB LYS 2 6.969 -1.741 -0.629 14 1HG LYS 2 2HG LYS 2 5.296 -1.757 1.509 15 2HG LYS 2 3HG LYS 2 4.671 -3.110 0.562 16 1HD LYS 2 2HD LYS 2 7.435 -3.403 0.462 17 2HD LYS 2 3HD LYS 2 7.102 -2.910 2.124 18 1HE LYS 2 2HE LYS 2 5.134 -4.771 1.594 19 2HE LYS 2 3HE LYS 2 6.549 -5.428 0.774 20 1HZ LYS 2 1HZ LYS 2 6.172 -4.864 3.642 21 2HZ LYS 2 2HZ LYS 2 7.729 -4.919 2.984 22 3HZ LYS 2 3HZ LYS 2 6.726 -6.279 2.899 23 H VAL 3 H VAL 3 6.903 1.688 -0.891 24 HA VAL 3 HA VAL 3 6.664 1.659 -3.831 25 HB VAL 3 HB VAL 3 7.417 4.130 -2.313 26 1HG1 VAL 3 1HG1 VAL 3 6.050 5.043 -4.349 27 2HG1 VAL 3 2HG1 VAL 3 7.715 4.500 -4.565 28 3HG1 VAL 3 3HG1 VAL 3 6.376 3.448 -5.025 29 1HG2 VAL 3 1HG2 VAL 3 5.357 3.368 -1.265 30 2HG2 VAL 3 2HG2 VAL 3 5.055 4.796 -2.255 31 3HG2 VAL 3 3HG2 VAL 3 4.596 3.199 -2.847 32 H TYR 4 H TYR 4 8.487 1.596 -5.016 33 HA TYR 4 HA TYR 4 11.050 1.765 -3.570 34 1HB TYR 4 2HB TYR 4 10.015 -0.189 -5.541 35 2HB TYR 4 3HB TYR 4 11.699 0.287 -5.732 36 HD1 TYR 4 HD1 TYR 4 9.480 -0.504 -2.820 37 HD2 TYR 4 HD2 TYR 4 13.161 -1.238 -4.824 38 HE1 TYR 4 HE1 TYR 4 10.121 -2.087 -1.050 39 HE2 TYR 4 HE2 TYR 4 13.811 -2.824 -3.061 40 HH TYR 4 HH TYR 4 11.658 -3.505 -0.316 41 H VAL 5 H VAL 5 11.817 3.744 -4.021 42 HA VAL 5 HA VAL 5 11.886 4.577 -6.849 43 HB VAL 5 HB VAL 5 12.165 6.921 -5.897 44 1HG1 VAL 5 1HG1 VAL 5 9.958 7.270 -6.216 45 2HG1 VAL 5 2HG1 VAL 5 9.974 5.573 -6.699 46 3HG1 VAL 5 3HG1 VAL 5 9.484 6.022 -5.064 47 1HG2 VAL 5 1HG2 VAL 5 12.035 7.332 -3.698 48 2HG2 VAL 5 2HG2 VAL 5 10.719 6.182 -3.464 49 3HG2 VAL 5 3HG2 VAL 5 12.388 5.615 -3.504 50 H GLY 6 H GLY 6 13.861 3.956 -7.543 51 1HA GLY 6 2HA GLY 6 16.178 4.881 -5.958 52 2HA GLY 6 3HA GLY 6 16.177 3.354 -6.828 53 H ASN 7 H ASN 7 18.017 3.967 -8.016 54 HA ASN 7 HA ASN 7 19.112 4.773 -9.839 55 1HB ASN 7 2HB ASN 7 16.263 5.340 -10.649 56 2HB ASN 7 3HB ASN 7 17.626 5.731 -11.695 57 1HD2 ASN 7 1HD2 ASN 7 16.699 2.987 -9.638 58 2HD2 ASN 7 2HD2 ASN 7 16.951 1.780 -10.848 59 H LEU 8 H LEU 8 19.522 6.353 -7.823 60 HA LEU 8 HA LEU 8 18.875 9.094 -8.668 61 1HB LEU 8 2HB LEU 8 20.063 8.300 -6.027 62 2HB LEU 8 3HB LEU 8 19.239 9.800 -6.451 63 HG LEU 8 HG LEU 8 17.802 7.161 -6.392 64 1HD1 LEU 8 1HD1 LEU 8 17.104 8.562 -4.100 65 2HD1 LEU 8 2HD1 LEU 8 18.864 8.657 -4.160 66 3HD1 LEU 8 3HD1 LEU 8 18.065 7.086 -4.188 67 1HD2 LEU 8 1HD2 LEU 8 15.935 8.357 -6.742 68 2HD2 LEU 8 2HD2 LEU 8 17.043 9.581 -7.360 69 3HD2 LEU 8 3HD2 LEU 8 16.461 9.678 -5.698 70 H GLY 9 H GLY 9 20.407 9.869 -9.980 71 1HA GLY 9 2HA GLY 9 23.139 9.007 -9.850 72 2HA GLY 9 3HA GLY 9 22.492 10.268 -10.888 73 H THR 10 H THR 10 22.607 12.392 -10.258 74 HA THR 10 HA THR 10 23.572 13.042 -7.590 75 HB THR 10 HB THR 10 25.454 14.380 -8.398 76 HG1 THR 10 HG1 THR 10 25.160 13.181 -10.946 77 1HG2 THR 10 1HG2 THR 10 25.832 12.028 -7.747 78 2HG2 THR 10 2HG2 THR 10 26.965 12.570 -8.985 79 3HG2 THR 10 3HG2 THR 10 25.601 11.545 -9.427 80 H GLY 11 H GLY 11 21.339 13.898 -7.667 81 1HA GLY 11 2HA GLY 11 21.202 16.625 -7.764 82 2HA GLY 11 3HA GLY 11 20.764 16.124 -9.390 83 H ALA 12 H ALA 12 19.585 13.600 -8.189 84 HA ALA 12 HA ALA 12 17.148 14.789 -7.039 85 1HB ALA 12 1HB ALA 12 17.177 12.559 -9.067 86 2HB ALA 12 2HB ALA 12 15.762 13.355 -8.377 87 3HB ALA 12 3HB ALA 12 16.845 14.250 -9.443 88 H GLY 13 H GLY 13 17.208 14.102 -4.980 89 1HA GLY 13 2HA GLY 13 17.531 11.199 -4.543 90 2HA GLY 13 3HA GLY 13 18.272 12.379 -3.472 91 H LYS 14 H LYS 14 17.236 12.404 -1.599 92 HA LYS 14 HA LYS 14 14.598 11.500 -1.212 93 1HB LYS 14 2HB LYS 14 16.128 11.440 0.627 94 2HB LYS 14 3HB LYS 14 16.427 13.170 0.514 95 1HG LYS 14 2HG LYS 14 14.486 13.719 1.573 96 2HG LYS 14 3HG LYS 14 13.645 12.268 1.023 97 1HD LYS 14 2HD LYS 14 13.961 11.941 3.326 98 2HD LYS 14 3HD LYS 14 15.226 10.978 2.560 99 1HE LYS 14 2HE LYS 14 16.862 12.217 3.456 100 2HE LYS 14 3HE LYS 14 16.028 13.731 3.109 101 1HZ LYS 14 1HZ LYS 14 15.798 13.820 5.319 102 2HZ LYS 14 2HZ LYS 14 16.073 12.166 5.535 103 3HZ LYS 14 3HZ LYS 14 14.535 12.716 5.094 104 H GLY 15 H GLY 15 15.943 14.797 -1.299 105 1HA GLY 15 2HA GLY 15 13.538 16.167 -0.855 106 2HA GLY 15 3HA GLY 15 14.944 16.827 -1.676 107 H GLU 16 H GLU 16 15.052 15.125 -3.888 108 HA GLU 16 HA GLU 16 13.198 16.367 -5.608 109 1HB GLU 16 2HB GLU 16 15.520 14.876 -5.910 110 2HB GLU 16 3HB GLU 16 14.281 13.871 -6.647 111 1HG GLU 16 2HG GLU 16 14.752 15.085 -8.470 112 2HG GLU 16 3HG GLU 16 13.653 16.248 -7.731 113 H LEU 17 H LEU 17 13.442 12.939 -4.646 114 HA LEU 17 HA LEU 17 11.042 12.115 -5.828 115 1HB LEU 17 2HB LEU 17 11.386 10.092 -4.812 116 2HB LEU 17 3HB LEU 17 13.015 10.765 -4.790 117 HG LEU 17 HG LEU 17 12.238 11.582 -2.386 118 1HD1 LEU 17 1HD1 LEU 17 10.103 10.833 -2.110 119 2HD1 LEU 17 2HD1 LEU 17 10.984 9.436 -1.493 120 3HD1 LEU 17 3HD1 LEU 17 10.345 9.419 -3.137 121 1HD2 LEU 17 1HD2 LEU 17 13.223 8.839 -3.147 122 2HD2 LEU 17 2HD2 LEU 17 13.207 9.450 -1.492 123 3HD2 LEU 17 3HD2 LEU 17 14.187 10.253 -2.720 124 H GLU 18 H GLU 18 11.699 13.655 -2.766 125 HA GLU 18 HA GLU 18 9.207 13.092 -1.532 126 1HB GLU 18 2HB GLU 18 11.068 13.760 -0.167 127 2HB GLU 18 3HB GLU 18 11.245 15.267 -1.054 128 1HG GLU 18 2HG GLU 18 9.086 16.025 -0.203 129 2HG GLU 18 3HG GLU 18 8.907 14.513 0.686 130 H ARG 19 H ARG 19 10.421 15.916 -3.317 131 HA ARG 19 HA ARG 19 8.090 17.469 -3.106 132 1HB ARG 19 2HB ARG 19 10.486 18.092 -3.929 133 2HB ARG 19 3HB ARG 19 9.880 17.608 -5.507 134 1HG ARG 19 2HG ARG 19 8.988 19.613 -5.763 135 2HG ARG 19 3HG ARG 19 7.951 19.324 -4.365 136 1HD ARG 19 2HD ARG 19 10.775 20.364 -4.199 137 2HD ARG 19 3HD ARG 19 9.341 21.390 -4.208 138 HE ARG 19 HE ARG 19 9.225 19.392 -2.173 139 1HH1 ARG 19 1HH1 ARG 19 10.564 22.502 -2.982 140 2HH1 ARG 19 2HH1 ARG 19 10.711 23.014 -1.333 141 1HH2 ARG 19 1HH2 ARG 19 9.413 20.055 0.002 142 2HH2 ARG 19 2HH2 ARG 19 10.056 21.620 0.363 143 H ALA 20 H ALA 20 9.160 15.187 -5.601 144 HA ALA 20 HA ALA 20 7.007 15.579 -7.370 145 1HB ALA 20 1HB ALA 20 8.059 14.069 -8.637 146 2HB ALA 20 2HB ALA 20 9.324 14.113 -7.408 147 3HB ALA 20 3HB ALA 20 8.077 12.866 -7.348 148 H PHE 21 H PHE 21 7.555 12.877 -5.099 149 HA PHE 21 HA PHE 21 5.143 11.591 -5.381 150 1HB PHE 21 2HB PHE 21 7.161 11.787 -3.220 151 2HB PHE 21 3HB PHE 21 5.577 11.178 -2.750 152 HD1 PHE 21 HD1 PHE 21 7.195 10.664 -6.028 153 HD2 PHE 21 HD2 PHE 21 6.144 8.942 -2.281 154 HE1 PHE 21 HE1 PHE 21 7.802 8.438 -6.885 155 HE2 PHE 21 HE2 PHE 21 6.750 6.714 -3.130 156 HZ PHE 21 HZ PHE 21 7.581 6.460 -5.435 157 H SER 22 H SER 22 5.920 14.164 -3.048 158 HA SER 22 HA SER 22 3.399 14.332 -1.854 159 1HB SER 22 2HB SER 22 5.049 15.475 -0.682 160 2HB SER 22 3HB SER 22 5.704 16.228 -2.136 161 HG SER 22 HG SER 22 3.154 16.837 -1.054 162 H TYR 23 H TYR 23 4.734 16.054 -4.649 163 HA TYR 23 HA TYR 23 2.632 17.807 -5.127 164 1HB TYR 23 2HB TYR 23 4.892 16.739 -6.645 165 2HB TYR 23 3HB TYR 23 3.511 17.141 -7.660 166 HD1 TYR 23 HD1 TYR 23 6.485 18.398 -6.683 167 HD2 TYR 23 HD2 TYR 23 2.378 19.510 -6.640 168 HE1 TYR 23 HE1 TYR 23 7.134 20.769 -6.614 169 HE2 TYR 23 HE2 TYR 23 3.016 21.885 -6.572 170 HH TYR 23 HH TYR 23 5.537 23.139 -7.445 171 H TYR 24 H TYR 24 3.046 14.446 -6.131 172 HA TYR 24 HA TYR 24 0.667 14.378 -7.714 173 1HB TYR 24 2HB TYR 24 2.629 12.346 -6.730 174 2HB TYR 24 3HB TYR 24 1.080 11.799 -7.361 175 HD1 TYR 24 HD1 TYR 24 3.817 14.169 -8.306 176 HD2 TYR 24 HD2 TYR 24 0.997 11.257 -9.598 177 HE1 TYR 24 HE1 TYR 24 4.698 14.341 -10.596 178 HE2 TYR 24 HE2 TYR 24 1.871 11.420 -11.891 179 HH TYR 24 HH TYR 24 4.124 13.882 -12.829 180 H GLY 25 H GLY 25 1.481 13.613 -4.383 181 1HA GLY 25 2HA GLY 25 -1.100 13.964 -3.399 182 2HA GLY 25 3HA GLY 25 -0.912 12.248 -3.730 183 HA PRO 26 HA PRO 26 1.001 13.637 0.432 184 1HB PRO 26 2HB PRO 26 -1.025 12.957 2.105 185 2HB PRO 26 3HB PRO 26 -0.859 14.571 1.404 186 1HG PRO 26 2HG PRO 26 -2.610 12.302 0.541 187 2HG PRO 26 3HG PRO 26 -2.997 14.028 0.668 188 1HD PRO 26 2HD PRO 26 -2.411 12.837 -1.692 189 2HD PRO 26 3HD PRO 26 -2.000 14.529 -1.348 190 H LEU 27 H LEU 27 2.424 11.991 0.585 191 HA LEU 27 HA LEU 27 1.523 9.236 0.627 192 1HB LEU 27 2HB LEU 27 3.880 8.668 0.653 193 2HB LEU 27 3HB LEU 27 3.532 9.839 -0.617 194 HG LEU 27 HG LEU 27 4.306 11.479 1.404 195 1HD1 LEU 27 1HD1 LEU 27 5.010 9.958 2.994 196 2HD1 LEU 27 2HD1 LEU 27 6.507 10.322 2.136 197 3HD1 LEU 27 3HD1 LEU 27 5.634 8.829 1.791 198 1HD2 LEU 27 1HD2 LEU 27 5.088 11.610 -0.876 199 2HD2 LEU 27 2HD2 LEU 27 6.028 10.132 -0.674 200 3HD2 LEU 27 3HD2 LEU 27 6.470 11.588 0.219 201 H ARG 28 H ARG 28 2.972 7.870 2.313 202 HA ARG 28 HA ARG 28 2.031 8.761 4.915 203 1HB ARG 28 2HB ARG 28 1.662 6.424 4.108 204 2HB ARG 28 3HB ARG 28 3.401 6.171 4.176 205 1HG ARG 28 2HG ARG 28 2.607 7.195 6.685 206 2HG ARG 28 3HG ARG 28 1.473 5.915 6.249 207 1HD ARG 28 2HD ARG 28 3.036 4.298 6.415 208 2HD ARG 28 3HD ARG 28 4.306 5.315 5.737 209 HE ARG 28 HE ARG 28 4.960 5.803 7.863 210 1HH1 ARG 28 1HH1 ARG 28 1.654 4.716 7.946 211 2HH1 ARG 28 2HH1 ARG 28 1.552 4.741 9.676 212 1HH2 ARG 28 1HH2 ARG 28 4.839 5.840 10.141 213 2HH2 ARG 28 2HH2 ARG 28 3.364 5.381 10.923 214 H THR 29 H THR 29 5.084 7.348 3.719 215 HA THR 29 HA THR 29 6.628 9.362 5.100 216 HB THR 29 HB THR 29 7.998 7.474 6.250 217 HG1 THR 29 HG1 THR 29 7.002 5.586 6.513 218 1HG2 THR 29 1HG2 THR 29 6.366 9.292 7.229 219 2HG2 THR 29 2HG2 THR 29 6.975 7.987 8.247 220 3HG2 THR 29 3HG2 THR 29 5.352 7.889 7.565 221 H VAL 30 H VAL 30 8.598 9.660 4.184 222 HA VAL 30 HA VAL 30 9.322 7.828 1.996 223 HB VAL 30 HB VAL 30 10.724 9.803 1.198 224 1HG1 VAL 30 1HG1 VAL 30 9.023 9.702 -0.244 225 2HG1 VAL 30 2HG1 VAL 30 7.852 9.353 1.030 226 3HG1 VAL 30 3HG1 VAL 30 8.311 11.021 0.684 227 1HG2 VAL 30 1HG2 VAL 30 10.374 11.936 2.045 228 2HG2 VAL 30 2HG2 VAL 30 8.871 11.481 2.848 229 3HG2 VAL 30 3HG2 VAL 30 10.418 10.942 3.501 230 H TRP 31 H TRP 31 11.584 7.420 1.615 231 HA TRP 31 HA TRP 31 13.502 8.089 3.658 232 1HB TRP 31 2HB TRP 31 12.119 6.060 4.481 233 2HB TRP 31 3HB TRP 31 13.000 5.152 3.256 234 HD1 TRP 31 HD1 TRP 31 13.730 7.303 6.393 235 HE1 TRP 31 HE1 TRP 31 15.906 6.437 7.461 236 HE3 TRP 31 HE3 TRP 31 15.006 3.793 2.902 237 HZ2 TRP 31 HZ2 TRP 31 17.899 4.519 6.898 238 HZ3 TRP 31 HZ3 TRP 31 17.063 2.486 3.241 239 HH2 TRP 31 HH2 TRP 31 18.479 2.843 5.198 240 H ILE 32 H ILE 32 15.669 7.362 3.127 241 HA ILE 32 HA ILE 32 15.981 6.560 0.312 242 HB ILE 32 HB ILE 32 16.677 9.067 1.407 243 1HG1 ILE 32 2HG1 ILE 32 17.384 7.724 -1.210 244 2HG1 ILE 32 3HG1 ILE 32 15.961 8.706 -0.882 245 1HG2 ILE 32 1HG2 ILE 32 18.697 7.986 2.295 246 2HG2 ILE 32 2HG2 ILE 32 19.119 7.461 0.665 247 3HG2 ILE 32 3HG2 ILE 32 19.076 9.181 1.054 248 1HD1 ILE 32 1HD1 ILE 32 18.806 9.565 -1.201 249 2HD1 ILE 32 2HD1 ILE 32 17.366 10.130 -2.050 250 3HD1 ILE 32 3HD1 ILE 32 17.632 10.582 -0.366 251 H ALA 33 H ALA 33 17.851 5.367 -0.191 252 HA ALA 33 HA ALA 33 19.097 4.084 2.145 253 1HB ALA 33 1HB ALA 33 19.176 2.944 -0.622 254 2HB ALA 33 2HB ALA 33 19.297 2.117 0.931 255 3HB ALA 33 3HB ALA 33 17.744 2.755 0.390 256 H ARG 34 H ARG 34 20.957 5.106 2.591 257 HA ARG 34 HA ARG 34 22.598 6.311 0.583 258 1HB ARG 34 2HB ARG 34 22.325 6.860 3.149 259 2HB ARG 34 3HB ARG 34 23.629 5.692 3.319 260 1HG ARG 34 2HG ARG 34 25.016 7.023 1.806 261 2HG ARG 34 3HG ARG 34 23.708 8.198 1.652 262 1HD ARG 34 2HD ARG 34 23.816 8.556 4.107 263 2HD ARG 34 3HD ARG 34 25.212 7.480 4.165 264 HE ARG 34 HE ARG 34 26.511 9.169 3.315 265 1HH1 ARG 34 1HH1 ARG 34 23.150 9.991 2.936 266 2HH1 ARG 34 2HH1 ARG 34 23.470 11.619 2.436 267 1HH2 ARG 34 1HH2 ARG 34 26.946 11.310 2.658 268 2HH2 ARG 34 2HH2 ARG 34 25.630 12.368 2.278 269 H ASN 35 H ASN 35 22.428 3.197 2.079 270 HA ASN 35 HA ASN 35 24.990 2.224 1.851 271 1HB ASN 35 2HB ASN 35 22.328 1.099 2.030 272 2HB ASN 35 3HB ASN 35 23.358 0.113 0.996 273 1HD2 ASN 35 1HD2 ASN 35 22.231 -0.328 3.704 274 2HD2 ASN 35 2HD2 ASN 35 23.589 -0.722 4.698 275 HA PRO 36 HA PRO 36 24.185 0.908 -2.720 276 1HB PRO 36 2HB PRO 36 21.902 1.785 -3.899 277 2HB PRO 36 3HB PRO 36 21.998 0.263 -3.005 278 1HG PRO 36 2HG PRO 36 20.960 2.924 -2.110 279 2HG PRO 36 3HG PRO 36 20.278 1.310 -1.841 280 1HD PRO 36 2HD PRO 36 21.700 2.623 0.052 281 2HD PRO 36 3HD PRO 36 21.716 0.854 -0.098 282 HA PRO 37 HA PRO 37 25.621 4.585 -4.655 283 1HB PRO 37 2HB PRO 37 25.171 4.101 -7.288 284 2HB PRO 37 3HB PRO 37 26.428 3.274 -6.361 285 1HG PRO 37 2HG PRO 37 23.688 2.325 -7.104 286 2HG PRO 37 3HG PRO 37 25.225 1.442 -7.137 287 1HD PRO 37 2HD PRO 37 23.425 1.158 -5.134 288 2HD PRO 37 3HD PRO 37 25.175 1.018 -4.872 289 H GLY 38 H GLY 38 22.327 3.620 -5.183 290 1HA GLY 38 2HA GLY 38 21.304 6.222 -4.992 291 2HA GLY 38 3HA GLY 38 21.423 5.815 -6.697 292 H PHE 39 H PHE 39 20.015 4.799 -3.621 293 HA PHE 39 HA PHE 39 17.652 3.880 -5.058 294 1HB PHE 39 2HB PHE 39 19.569 2.049 -4.178 295 2HB PHE 39 3HB PHE 39 18.305 1.991 -2.954 296 HD1 PHE 39 HD1 PHE 39 16.686 0.408 -3.264 297 HD2 PHE 39 HD2 PHE 39 18.542 2.143 -6.679 298 HE1 PHE 39 HE1 PHE 39 15.336 -1.037 -4.728 299 HE2 PHE 39 HE2 PHE 39 17.194 0.701 -8.148 300 HZ PHE 39 HZ PHE 39 15.588 -0.891 -7.173 301 H ALA 40 H ALA 40 15.811 4.353 -4.008 302 HA ALA 40 HA ALA 40 15.940 4.966 -1.138 303 1HB ALA 40 1HB ALA 40 14.288 6.696 -2.926 304 2HB ALA 40 2HB ALA 40 14.961 7.044 -1.333 305 3HB ALA 40 3HB ALA 40 16.014 7.014 -2.747 306 H PHE 41 H PHE 41 13.867 4.899 -0.056 307 HA PHE 41 HA PHE 41 11.833 3.341 -1.505 308 1HB PHE 41 2HB PHE 41 12.995 1.787 -0.078 309 2HB PHE 41 3HB PHE 41 12.872 2.881 1.295 310 HD1 PHE 41 HD1 PHE 41 10.740 3.197 2.445 311 HD2 PHE 41 HD2 PHE 41 11.159 0.407 -0.742 312 HE1 PHE 41 HE1 PHE 41 8.630 2.121 3.114 313 HE2 PHE 41 HE2 PHE 41 9.050 -0.673 -0.079 314 HZ PHE 41 HZ PHE 41 7.782 0.184 1.851 315 H VAL 42 H VAL 42 9.691 3.741 -0.982 316 HA VAL 42 HA VAL 42 9.147 5.844 0.989 317 HB VAL 42 HB VAL 42 8.071 5.878 -1.834 318 1HG1 VAL 42 1HG1 VAL 42 7.386 7.365 0.640 319 2HG1 VAL 42 2HG1 VAL 42 7.396 8.261 -0.880 320 3HG1 VAL 42 3HG1 VAL 42 6.355 6.849 -0.695 321 1HG2 VAL 42 1HG2 VAL 42 9.883 7.901 -0.540 322 2HG2 VAL 42 2HG2 VAL 42 10.486 6.559 -1.514 323 3HG2 VAL 42 3HG2 VAL 42 9.431 7.772 -2.240 324 H GLU 43 H GLU 43 7.015 5.859 1.810 325 HA GLU 43 HA GLU 43 5.476 3.415 1.222 326 1HB GLU 43 2HB GLU 43 6.409 4.551 3.761 327 2HB GLU 43 3HB GLU 43 4.703 4.129 3.757 328 1HG GLU 43 2HG GLU 43 6.642 2.141 2.711 329 2HG GLU 43 3HG GLU 43 6.560 2.400 4.453 330 H PHE 44 H PHE 44 3.497 3.741 0.468 331 HA PHE 44 HA PHE 44 2.310 6.412 0.755 332 1HB PHE 44 2HB PHE 44 2.409 4.456 -1.400 333 2HB PHE 44 3HB PHE 44 0.766 5.001 -1.076 334 HD1 PHE 44 HD1 PHE 44 3.452 5.573 -3.094 335 HD2 PHE 44 HD2 PHE 44 0.759 7.707 -0.581 336 HE1 PHE 44 HE1 PHE 44 3.888 7.627 -4.377 337 HE2 PHE 44 HE2 PHE 44 1.189 9.764 -1.861 338 HZ PHE 44 HZ PHE 44 2.755 9.726 -3.762 339 H GLU 45 H GLU 45 0.736 6.656 2.184 340 HA GLU 45 HA GLU 45 -0.370 4.613 3.715 341 1HB GLU 45 2HB GLU 45 -1.788 6.235 4.653 342 2HB GLU 45 3HB GLU 45 -0.353 7.129 4.171 343 1HG GLU 45 2HG GLU 45 -2.932 6.983 2.625 344 2HG GLU 45 3HG GLU 45 -2.403 8.332 3.629 345 H ASP 46 H ASP 46 -1.331 5.890 0.622 346 HA ASP 46 HA ASP 46 -3.531 3.932 0.552 347 1HB ASP 46 2HB ASP 46 -3.550 6.819 -0.065 348 2HB ASP 46 3HB ASP 46 -4.353 5.794 -1.252 349 HA PRO 47 HA PRO 47 -1.610 2.307 -3.051 350 1HB PRO 47 2HB PRO 47 -3.773 1.232 -4.291 351 2HB PRO 47 3HB PRO 47 -3.047 0.526 -2.842 352 1HG PRO 47 2HG PRO 47 -5.462 2.277 -3.089 353 2HG PRO 47 3HG PRO 47 -5.229 0.826 -2.097 354 1HD PRO 47 2HD PRO 47 -5.055 3.330 -1.080 355 2HD PRO 47 3HD PRO 47 -4.088 1.977 -0.458 356 H ARG 48 H ARG 48 -4.657 4.054 -3.653 357 HA ARG 48 HA ARG 48 -4.406 4.556 -6.342 358 1HB ARG 48 2HB ARG 48 -5.732 6.638 -5.907 359 2HB ARG 48 3HB ARG 48 -6.411 5.180 -5.196 360 1HG ARG 48 2HG ARG 48 -5.221 5.877 -3.051 361 2HG ARG 48 3HG ARG 48 -5.006 7.446 -3.828 362 1HD ARG 48 2HD ARG 48 -7.442 7.595 -4.149 363 2HD ARG 48 3HD ARG 48 -7.631 6.051 -3.318 364 HE ARG 48 HE ARG 48 -6.215 7.775 -1.638 365 1HH1 ARG 48 1HH1 ARG 48 -9.388 7.465 -3.035 366 2HH1 ARG 48 2HH1 ARG 48 -10.185 8.279 -1.730 367 1HH2 ARG 48 1HH2 ARG 48 -7.252 8.848 0.087 368 2HH2 ARG 48 2HH2 ARG 48 -8.969 9.066 0.045 369 H ASP 49 H ASP 49 -3.024 6.418 -3.658 370 HA ASP 49 HA ASP 49 -1.850 8.434 -5.248 371 1HB ASP 49 2HB ASP 49 -0.875 7.469 -2.554 372 2HB ASP 49 3HB ASP 49 -0.619 9.056 -3.274 373 H ALA 50 H ALA 50 -0.743 5.272 -4.197 374 HA ALA 50 HA ALA 50 1.964 5.614 -5.025 375 1HB ALA 50 1HB ALA 50 0.873 2.879 -4.954 376 2HB ALA 50 2HB ALA 50 2.307 3.553 -4.178 377 3HB ALA 50 3HB ALA 50 0.715 3.807 -3.462 378 H GLU 51 H GLU 51 -0.921 4.214 -6.520 379 HA GLU 51 HA GLU 51 0.359 3.192 -8.819 380 1HB GLU 51 2HB GLU 51 -2.114 2.926 -7.819 381 2HB GLU 51 3HB GLU 51 -2.444 4.148 -9.038 382 1HG GLU 51 2HG GLU 51 -2.209 2.706 -10.732 383 2HG GLU 51 3HG GLU 51 -0.834 1.895 -9.986 384 H ASP 52 H ASP 52 -1.331 6.256 -8.217 385 HA ASP 52 HA ASP 52 -0.950 7.291 -10.829 386 1HB ASP 52 2HB ASP 52 -2.617 8.050 -9.009 387 2HB ASP 52 3HB ASP 52 -1.277 9.002 -8.376 388 H ALA 53 H ALA 53 0.736 7.915 -7.756 389 HA ALA 53 HA ALA 53 2.623 9.726 -8.706 390 1HB ALA 53 1HB ALA 53 3.136 7.698 -6.541 391 2HB ALA 53 2HB ALA 53 3.866 9.293 -6.727 392 3HB ALA 53 3HB ALA 53 2.159 9.148 -6.308 393 H VAL 54 H VAL 54 2.787 6.184 -8.522 394 HA VAL 54 HA VAL 54 5.420 5.908 -9.466 395 HB VAL 54 HB VAL 54 3.058 4.057 -9.428 396 1HG1 VAL 54 1HG1 VAL 54 5.746 3.560 -10.686 397 2HG1 VAL 54 2HG1 VAL 54 4.665 2.263 -10.172 398 3HG1 VAL 54 3HG1 VAL 54 4.153 3.395 -11.424 399 1HG2 VAL 54 1HG2 VAL 54 5.679 3.464 -8.170 400 2HG2 VAL 54 2HG2 VAL 54 4.697 4.741 -7.452 401 3HG2 VAL 54 3HG2 VAL 54 4.046 3.109 -7.606 402 H ARG 55 H ARG 55 2.346 5.488 -11.230 403 HA ARG 55 HA ARG 55 3.345 5.055 -13.755 404 1HB ARG 55 2HB ARG 55 1.141 4.927 -14.090 405 2HB ARG 55 3HB ARG 55 0.821 5.824 -12.611 406 1HG ARG 55 2HG ARG 55 0.963 7.914 -13.779 407 2HG ARG 55 3HG ARG 55 1.480 7.099 -15.256 408 1HD ARG 55 2HD ARG 55 -1.146 6.503 -13.922 409 2HD ARG 55 3HD ARG 55 -0.965 7.795 -15.108 410 HE ARG 55 HE ARG 55 0.046 5.324 -16.092 411 1HH1 ARG 55 1HH1 ARG 55 -2.895 7.093 -15.507 412 2HH1 ARG 55 2HH1 ARG 55 -3.788 6.274 -16.745 413 1HH2 ARG 55 1HH2 ARG 55 -1.119 4.239 -17.725 414 2HH2 ARG 55 2HH2 ARG 55 -2.777 4.650 -18.006 415 H GLY 56 H GLY 56 2.822 8.145 -12.112 416 1HA GLY 56 2HA GLY 56 3.576 9.726 -14.383 417 2HA GLY 56 3HA GLY 56 3.358 10.302 -12.738 418 H LEU 57 H LEU 57 5.159 9.344 -11.208 419 HA LEU 57 HA LEU 57 7.539 10.584 -11.801 420 1HB LEU 57 2HB LEU 57 6.757 8.418 -9.919 421 2HB LEU 57 3HB LEU 57 8.473 8.755 -10.136 422 HG LEU 57 HG LEU 57 7.345 9.876 -8.173 423 1HD1 LEU 57 1HD1 LEU 57 9.357 10.732 -9.871 424 2HD1 LEU 57 2HD1 LEU 57 9.015 11.341 -8.252 425 3HD1 LEU 57 3HD1 LEU 57 8.334 12.154 -9.661 426 1HD2 LEU 57 1HD2 LEU 57 6.093 11.938 -8.683 427 2HD2 LEU 57 2HD2 LEU 57 5.253 10.484 -9.221 428 3HD2 LEU 57 3HD2 LEU 57 6.100 11.497 -10.391 429 H ASP 58 H ASP 58 6.789 7.125 -12.175 430 HA ASP 58 HA ASP 58 9.309 6.536 -13.401 431 1HB ASP 58 2HB ASP 58 7.956 4.874 -12.110 432 2HB ASP 58 3HB ASP 58 6.783 4.874 -13.425 433 H GLY 59 H GLY 59 6.075 7.300 -14.540 434 1HA GLY 59 2HA GLY 59 6.227 6.515 -17.188 435 2HA GLY 59 3HA GLY 59 5.322 7.911 -16.622 436 H LYS 60 H LYS 60 7.157 9.692 -15.866 437 HA LYS 60 HA LYS 60 9.005 9.986 -18.133 438 1HB LYS 60 2HB LYS 60 6.671 11.396 -17.977 439 2HB LYS 60 3HB LYS 60 7.788 12.487 -17.167 440 1HG LYS 60 2HG LYS 60 9.142 11.649 -19.448 441 2HG LYS 60 3HG LYS 60 7.479 11.919 -19.975 442 1HD LYS 60 2HD LYS 60 7.707 14.132 -18.610 443 2HD LYS 60 3HD LYS 60 9.439 13.850 -18.803 444 1HE LYS 60 2HE LYS 60 9.109 13.711 -21.245 445 2HE LYS 60 3HE LYS 60 7.400 14.079 -21.015 446 1HZ LYS 60 1HZ LYS 60 7.974 16.202 -21.170 447 2HZ LYS 60 2HZ LYS 60 9.627 15.849 -21.099 448 3HZ LYS 60 3HZ LYS 60 8.744 16.056 -19.670 449 H VAL 61 H VAL 61 9.791 12.641 -17.302 450 HA VAL 61 HA VAL 61 11.361 11.912 -14.922 451 HB VAL 61 HB VAL 61 13.031 13.494 -15.635 452 1HG1 VAL 61 1HG1 VAL 61 12.257 11.985 -18.115 453 2HG1 VAL 61 2HG1 VAL 61 13.873 12.366 -17.518 454 3HG1 VAL 61 3HG1 VAL 61 12.879 11.175 -16.678 455 1HG2 VAL 61 1HG2 VAL 61 12.093 15.319 -16.610 456 2HG2 VAL 61 2HG2 VAL 61 12.551 14.452 -18.076 457 3HG2 VAL 61 3HG2 VAL 61 10.891 14.373 -17.486 458 H ILE 62 H ILE 62 11.926 13.689 -13.443 459 HA ILE 62 HA ILE 62 9.787 15.711 -13.284 460 HB ILE 62 HB ILE 62 9.374 14.089 -11.559 461 1HG1 ILE 62 2HG1 ILE 62 9.556 15.505 -9.553 462 2HG1 ILE 62 3HG1 ILE 62 10.715 16.536 -10.385 463 1HG2 ILE 62 1HG2 ILE 62 12.121 14.567 -10.441 464 2HG2 ILE 62 2HG2 ILE 62 10.961 13.313 -10.007 465 3HG2 ILE 62 3HG2 ILE 62 11.776 13.256 -11.570 466 1HD1 ILE 62 1HD1 ILE 62 8.314 17.344 -10.246 467 2HD1 ILE 62 2HD1 ILE 62 9.084 17.381 -11.833 468 3HD1 ILE 62 3HD1 ILE 62 7.943 16.096 -11.435 469 H CYS 63 H CYS 63 10.627 17.651 -13.643 470 HA CYS 63 HA CYS 63 12.081 19.404 -13.719 471 1HB CYS 63 2HB CYS 63 11.560 18.892 -11.134 472 2HB CYS 63 3HB CYS 63 13.302 18.647 -11.120 473 HG CYS 63 HG CYS 63 13.377 21.320 -12.592 474 H GLY 64 H GLY 64 13.030 17.191 -15.085 475 1HA GLY 64 2HA GLY 64 14.993 16.623 -16.163 476 2HA GLY 64 3HA GLY 64 15.839 17.771 -15.136 477 H SER 65 H SER 65 13.864 15.213 -13.816 478 HA SER 65 HA SER 65 16.307 13.766 -13.034 479 1HB SER 65 2HB SER 65 13.887 14.212 -11.271 480 2HB SER 65 3HB SER 65 15.370 13.369 -10.825 481 HG SER 65 HG SER 65 16.417 15.469 -11.369 482 H ARG 66 H ARG 66 16.103 12.104 -14.475 483 HA ARG 66 HA ARG 66 13.595 10.741 -14.861 484 1HB ARG 66 2HB ARG 66 14.913 9.235 -16.317 485 2HB ARG 66 3HB ARG 66 15.122 10.931 -16.732 486 1HG ARG 66 2HG ARG 66 17.306 10.946 -16.161 487 2HG ARG 66 3HG ARG 66 17.082 9.795 -14.842 488 1HD ARG 66 2HD ARG 66 16.883 8.991 -17.731 489 2HD ARG 66 3HD ARG 66 18.418 9.006 -16.863 490 HE ARG 66 HE ARG 66 16.437 7.536 -15.449 491 1HH1 ARG 66 1HH1 ARG 66 18.638 7.360 -18.141 492 2HH1 ARG 66 2HH1 ARG 66 18.780 5.634 -18.080 493 1HH2 ARG 66 1HH2 ARG 66 16.616 5.264 -15.358 494 2HH2 ARG 66 2HH2 ARG 66 17.629 4.443 -16.497 495 H VAL 67 H VAL 67 13.808 10.546 -12.287 496 HA VAL 67 HA VAL 67 15.386 8.454 -11.237 497 HB VAL 67 HB VAL 67 14.175 10.293 -9.942 498 1HG1 VAL 67 1HG1 VAL 67 11.946 10.163 -9.472 499 2HG1 VAL 67 2HG1 VAL 67 11.942 9.450 -11.087 500 3HG1 VAL 67 3HG1 VAL 67 11.894 8.411 -9.662 501 1HG2 VAL 67 1HG2 VAL 67 13.809 7.505 -8.865 502 2HG2 VAL 67 2HG2 VAL 67 15.375 8.308 -8.970 503 3HG2 VAL 67 3HG2 VAL 67 14.103 8.986 -7.954 504 H ARG 68 H ARG 68 14.563 6.412 -10.342 505 HA ARG 68 HA ARG 68 12.619 5.186 -12.180 506 1HB ARG 68 2HB ARG 68 14.906 4.248 -12.246 507 2HB ARG 68 3HB ARG 68 14.781 3.857 -10.536 508 1HG ARG 68 2HG ARG 68 14.028 1.868 -11.164 509 2HG ARG 68 3HG ARG 68 12.540 2.682 -11.654 510 1HD ARG 68 2HD ARG 68 13.718 3.120 -13.875 511 2HD ARG 68 3HD ARG 68 14.910 1.935 -13.342 512 HE ARG 68 HE ARG 68 12.250 0.931 -13.147 513 1HH1 ARG 68 1HH1 ARG 68 14.855 1.542 -15.374 514 2HH1 ARG 68 2HH1 ARG 68 14.365 0.309 -16.489 515 1HH2 ARG 68 1HH2 ARG 68 11.594 -0.695 -14.607 516 2HH2 ARG 68 2HH2 ARG 68 12.510 -0.962 -16.052 517 H VAL 69 H VAL 69 10.687 4.762 -11.363 518 HA VAL 69 HA VAL 69 10.470 4.183 -8.479 519 HB VAL 69 HB VAL 69 8.400 5.535 -10.217 520 1HG1 VAL 69 1HG1 VAL 69 7.854 5.920 -7.497 521 2HG1 VAL 69 2HG1 VAL 69 6.951 4.929 -8.645 522 3HG1 VAL 69 3HG1 VAL 69 8.235 4.207 -7.674 523 1HG2 VAL 69 1HG2 VAL 69 9.840 7.266 -9.910 524 2HG2 VAL 69 2HG2 VAL 69 8.977 7.375 -8.376 525 3HG2 VAL 69 3HG2 VAL 69 10.544 6.569 -8.451 526 H GLU 70 H GLU 70 9.346 2.408 -7.866 527 HA GLU 70 HA GLU 70 7.613 1.029 -9.737 528 1HB GLU 70 2HB GLU 70 10.058 0.263 -10.083 529 2HB GLU 70 3HB GLU 70 9.873 -0.545 -8.533 530 1HG GLU 70 2HG GLU 70 8.302 -2.034 -9.346 531 2HG GLU 70 3HG GLU 70 7.887 -1.004 -10.715 532 H LEU 71 H LEU 71 6.611 -0.929 -8.695 533 HA LEU 71 HA LEU 71 6.174 -0.375 -5.839 534 1HB LEU 71 2HB LEU 71 4.388 -0.725 -7.988 535 2HB LEU 71 3HB LEU 71 4.224 -2.149 -6.964 536 HG LEU 71 HG LEU 71 3.648 -0.770 -5.067 537 1HD1 LEU 71 1HD1 LEU 71 4.823 1.312 -6.680 538 2HD1 LEU 71 2HD1 LEU 71 4.460 1.293 -4.955 539 3HD1 LEU 71 3HD1 LEU 71 3.219 1.773 -6.111 540 1HD2 LEU 71 1HD2 LEU 71 1.833 -1.429 -6.531 541 2HD2 LEU 71 2HD2 LEU 71 2.105 -0.013 -7.547 542 3HD2 LEU 71 3HD2 LEU 71 1.535 0.186 -5.889 543 H SER 72 H SER 72 7.229 -1.718 -4.544 544 HA SER 72 HA SER 72 8.306 -4.200 -5.356 545 1HB SER 72 2HB SER 72 9.518 -3.528 -3.563 546 2HB SER 72 3HB SER 72 8.170 -2.629 -2.868 547 HG SER 72 HG SER 72 8.776 -5.375 -2.636 548 H THR 73 H THR 73 5.252 -3.278 -3.996 549 HA THR 73 HA THR 73 4.290 -6.006 -4.310 550 HB THR 73 HB THR 73 3.534 -4.672 -1.747 551 HG1 THR 73 HG1 THR 73 5.357 -5.885 -0.803 552 1HG2 THR 73 1HG2 THR 73 4.112 -7.563 -1.956 553 2HG2 THR 73 2HG2 THR 73 2.747 -6.972 -2.905 554 3HG2 THR 73 3HG2 THR 73 2.779 -6.727 -1.159 555 H GLY 74 H GLY 74 2.197 -6.101 -4.959 556 1HA GLY 74 2HA GLY 74 -0.041 -5.334 -5.105 557 2HA GLY 74 3HA GLY 74 0.506 -3.729 -4.642 558 H MET 75 H MET 75 2.323 -5.391 -7.049 559 HA MET 75 HA MET 75 1.031 -3.768 -9.142 560 1HB MET 75 2HB MET 75 3.766 -3.761 -8.238 561 2HB MET 75 3HB MET 75 3.693 -4.259 -9.923 562 1HG MET 75 2HG MET 75 2.477 -1.748 -8.793 563 2HG MET 75 3HG MET 75 4.003 -1.845 -9.670 564 1HE MET 75 1HE MET 75 0.611 -1.276 -9.487 565 2HE MET 75 2HE MET 75 0.603 -0.285 -10.946 566 3HE MET 75 3HE MET 75 -0.226 -1.842 -10.934 567 HA PRO 76 HA PRO 76 0.686 -8.135 -10.481 568 1HB PRO 76 2HB PRO 76 -1.633 -7.748 -11.839 569 2HB PRO 76 3HB PRO 76 -1.578 -8.048 -10.097 570 1HG PRO 76 2HG PRO 76 -1.859 -5.454 -11.566 571 2HG PRO 76 3HG PRO 76 -2.722 -6.024 -10.125 572 1HD PRO 76 2HD PRO 76 -0.646 -4.290 -9.990 573 2HD PRO 76 3HD PRO 76 -0.984 -5.477 -8.714 574 H ARG 77 H ARG 77 1.987 -8.634 -12.125 575 HA ARG 77 HA ARG 77 1.499 -7.423 -14.738 576 1HB ARG 77 2HB ARG 77 3.572 -6.507 -13.195 577 2HB ARG 77 3HB ARG 77 4.356 -7.758 -14.150 578 1HG ARG 77 2HG ARG 77 3.148 -6.572 -16.145 579 2HG ARG 77 3HG ARG 77 3.108 -5.204 -15.030 580 1HD ARG 77 2HD ARG 77 5.222 -4.743 -15.523 581 2HD ARG 77 3HD ARG 77 5.706 -6.329 -14.924 582 HE ARG 77 HE ARG 77 5.886 -7.064 -17.092 583 1HH1 ARG 77 1HH1 ARG 77 4.218 -4.009 -17.031 584 2HH1 ARG 77 2HH1 ARG 77 4.263 -3.802 -18.751 585 1HH2 ARG 77 1HH2 ARG 77 5.951 -6.804 -19.357 586 2HH2 ARG 77 2HH2 ARG 77 5.248 -5.393 -20.073 587 H ARG 78 H ARG 78 3.093 -8.565 -16.382 588 HA ARG 78 HA ARG 78 2.568 -11.404 -16.085 589 1HB ARG 78 2HB ARG 78 3.283 -11.549 -18.441 590 2HB ARG 78 3HB ARG 78 2.014 -10.355 -18.205 591 1HG ARG 78 2HG ARG 78 3.783 -8.595 -18.166 592 2HG ARG 78 3HG ARG 78 4.949 -9.842 -18.614 593 1HD ARG 78 2HD ARG 78 2.555 -8.918 -20.194 594 2HD ARG 78 3HD ARG 78 4.255 -8.696 -20.603 595 HE ARG 78 HE ARG 78 3.757 -11.438 -20.359 596 1HH1 ARG 78 1HH1 ARG 78 2.917 -8.761 -22.421 597 2HH1 ARG 78 2HH1 ARG 78 2.707 -9.744 -23.831 598 1HH2 ARG 78 1HH2 ARG 78 3.483 -12.743 -22.209 599 2HH2 ARG 78 2HH2 ARG 78 3.029 -12.009 -23.710 600 H SER 79 H SER 79 5.357 -9.268 -16.565 601 HA SER 79 HA SER 79 7.082 -11.452 -15.605 602 1HB SER 79 2HB SER 79 8.871 -10.566 -17.111 603 2HB SER 79 3HB SER 79 7.486 -11.225 -17.980 604 HG SER 79 HG SER 79 6.742 -8.911 -17.935 605 H ARG 80 H ARG 80 9.430 -10.240 -15.280 606 HA ARG 80 HA ARG 80 10.644 -8.891 -13.910 607 1HB ARG 80 2HB ARG 80 8.372 -6.914 -14.088 608 2HB ARG 80 3HB ARG 80 10.062 -6.579 -13.734 609 1HG ARG 80 2HG ARG 80 10.065 -7.851 -16.220 610 2HG ARG 80 3HG ARG 80 8.715 -6.715 -16.267 611 1HD ARG 80 2HD ARG 80 10.064 -4.896 -16.125 612 2HD ARG 80 3HD ARG 80 11.251 -5.721 -15.116 613 HE ARG 80 HE ARG 80 11.323 -5.443 -17.940 614 1HH1 ARG 80 1HH1 ARG 80 12.105 -7.638 -15.354 615 2HH1 ARG 80 2HH1 ARG 80 13.373 -8.428 -16.232 616 1HH2 ARG 80 1HH2 ARG 80 12.990 -6.474 -19.107 617 2HH2 ARG 80 2HH2 ARG 80 13.876 -7.764 -18.367 618 H PHE 81 H PHE 81 8.238 -10.600 -12.978 619 HA PHE 81 HA PHE 81 8.355 -9.674 -10.197 620 1HB PHE 81 2HB PHE 81 5.955 -9.959 -11.882 621 2HB PHE 81 3HB PHE 81 5.839 -10.723 -10.301 622 HD1 PHE 81 HD1 PHE 81 6.328 -7.536 -12.066 623 HD2 PHE 81 HD2 PHE 81 5.684 -9.430 -8.309 624 HE1 PHE 81 HE1 PHE 81 5.827 -5.350 -11.054 625 HE2 PHE 81 HE2 PHE 81 5.181 -7.247 -7.292 626 HZ PHE 81 HZ PHE 81 5.251 -5.203 -8.664 627 H ASP 82 H ASP 82 9.111 -11.238 -8.949 628 HA ASP 82 HA ASP 82 9.073 -13.991 -9.902 629 1HB ASP 82 2HB ASP 82 11.152 -12.897 -8.967 630 2HB ASP 82 3HB ASP 82 10.369 -12.925 -7.390 631 H ARG 83 H ARG 83 7.997 -12.105 -7.100 632 HA ARG 83 HA ARG 83 6.450 -14.422 -6.174 633 1HB ARG 83 2HB ARG 83 7.777 -12.170 -4.847 634 2HB ARG 83 3HB ARG 83 6.153 -12.482 -4.249 635 1HG ARG 83 2HG ARG 83 7.408 -13.803 -2.862 636 2HG ARG 83 3HG ARG 83 6.974 -14.953 -4.129 637 1HD ARG 83 2HD ARG 83 9.295 -15.233 -3.689 638 2HD ARG 83 3HD ARG 83 9.154 -14.405 -5.240 639 HE ARG 83 HE ARG 83 10.229 -12.608 -4.328 640 1HH1 ARG 83 1HH1 ARG 83 9.047 -14.637 -1.758 641 2HH1 ARG 83 2HH1 ARG 83 9.842 -13.739 -0.508 642 1HH2 ARG 83 1HH2 ARG 83 11.280 -11.418 -2.691 643 2HH2 ARG 83 2HH2 ARG 83 11.111 -11.908 -1.039 644 HA PRO 84 HA PRO 84 2.570 -12.683 -7.252 645 1HB PRO 84 2HB PRO 84 1.022 -13.337 -5.120 646 2HB PRO 84 3HB PRO 84 1.585 -14.527 -6.299 647 1HG PRO 84 2HG PRO 84 2.683 -13.877 -3.591 648 2HG PRO 84 3HG PRO 84 2.429 -15.462 -4.344 649 1HD PRO 84 2HD PRO 84 4.858 -14.270 -4.244 650 2HD PRO 84 3HD PRO 84 4.366 -15.323 -5.586 651 HA PRO 85 HA PRO 85 2.440 -8.630 -5.463 652 1HB PRO 85 2HB PRO 85 0.185 -7.768 -6.705 653 2HB PRO 85 3HB PRO 85 1.740 -7.916 -7.531 654 1HG PRO 85 2HG PRO 85 -0.593 -9.792 -7.536 655 2HG PRO 85 3HG PRO 85 0.429 -9.274 -8.890 656 1HD PRO 85 2HD PRO 85 0.753 -11.659 -7.650 657 2HD PRO 85 3HD PRO 85 2.111 -10.755 -8.352 658 H ALA 86 H ALA 86 1.188 -7.388 -3.999 659 HA ALA 86 HA ALA 86 -0.557 -8.994 -2.329 660 1HB ALA 86 1HB ALA 86 1.051 -7.737 -1.137 661 2HB ALA 86 2HB ALA 86 0.645 -6.256 -2.004 662 3HB ALA 86 3HB ALA 86 -0.499 -6.945 -0.853 663 H ARG 87 H ARG 87 -1.853 -8.699 -4.644 664 HA ARG 87 HA ARG 87 -3.620 -6.391 -4.490 665 1HB ARG 87 2HB ARG 87 -3.400 -8.662 -6.469 666 2HB ARG 87 3HB ARG 87 -4.622 -7.401 -6.571 667 1HG ARG 87 2HG ARG 87 -1.640 -6.997 -6.698 668 2HG ARG 87 3HG ARG 87 -2.764 -6.934 -8.057 669 1HD ARG 87 2HD ARG 87 -3.772 -5.182 -6.099 670 2HD ARG 87 3HD ARG 87 -2.040 -4.872 -6.202 671 HE ARG 87 HE ARG 87 -2.348 -4.005 -8.304 672 1HH1 ARG 87 1HH1 ARG 87 -5.221 -5.704 -7.317 673 2HH1 ARG 87 2HH1 ARG 87 -6.171 -5.139 -8.651 674 1HH2 ARG 87 1HH2 ARG 87 -3.588 -3.254 -10.065 675 2HH2 ARG 87 2HH2 ARG 87 -5.241 -3.746 -10.214 676 H ARG 88 H ARG 88 -3.576 -9.748 -3.662 677 HA ARG 88 HA ARG 88 -5.086 -11.123 -2.660 678 1HB ARG 88 2HB ARG 88 -6.062 -8.409 -1.831 679 2HB ARG 88 3HB ARG 88 -6.962 -9.851 -1.379 680 1HG ARG 88 2HG ARG 88 -4.078 -9.947 -0.821 681 2HG ARG 88 3HG ARG 88 -4.996 -8.756 0.104 682 1HD ARG 88 2HD ARG 88 -5.981 -11.571 -0.147 683 2HD ARG 88 3HD ARG 88 -4.730 -11.167 1.028 684 HE ARG 88 HE ARG 88 -6.674 -9.333 1.500 685 1HH1 ARG 88 1HH1 ARG 88 -6.618 -12.809 1.309 686 2HH1 ARG 88 2HH1 ARG 88 -7.911 -13.022 2.443 687 1HH2 ARG 88 1HH2 ARG 88 -8.377 -9.601 2.994 688 2HH2 ARG 88 2HH2 ARG 88 -8.911 -11.197 3.400 689 H LYS 89 H LYS 89 -5.967 -12.176 -4.393 690 HA LYS 89 HA LYS 89 -7.582 -12.873 -5.835 691 1HB LYS 89 2HB LYS 89 -8.943 -11.866 -3.659 692 2HB LYS 89 3HB LYS 89 -9.672 -11.000 -5.005 693 1HG LYS 89 2HG LYS 89 -10.475 -12.942 -5.987 694 2HG LYS 89 3HG LYS 89 -9.347 -13.972 -5.103 695 1HD LYS 89 2HD LYS 89 -10.683 -14.093 -3.290 696 2HD LYS 89 3HD LYS 89 -11.195 -12.409 -3.428 697 1HE LYS 89 2HE LYS 89 -12.944 -12.912 -4.815 698 2HE LYS 89 3HE LYS 89 -12.149 -14.339 -5.478 699 1HZ LYS 89 1HZ LYS 89 -13.987 -14.999 -4.105 700 2HZ LYS 89 2HZ LYS 89 -13.399 -14.106 -2.795 701 3HZ LYS 89 3HZ LYS 89 -12.548 -15.461 -3.345 702 H LEU 90 H LEU 90 -9.515 -11.724 -7.287 703 HA LEU 90 HA LEU 90 -9.928 -10.417 -9.101 704 1HB LEU 90 2HB LEU 90 -9.741 -8.644 -7.299 705 2HB LEU 90 3HB LEU 90 -8.094 -8.379 -7.866 706 HG LEU 90 HG LEU 90 -9.543 -8.144 -10.177 707 1HD1 LEU 90 1HD1 LEU 90 -11.425 -6.686 -9.693 708 2HD1 LEU 90 2HD1 LEU 90 -11.152 -6.880 -7.962 709 3HD1 LEU 90 3HD1 LEU 90 -11.652 -8.263 -8.935 710 1HD2 LEU 90 1HD2 LEU 90 -7.953 -6.542 -9.912 711 2HD2 LEU 90 2HD2 LEU 90 -8.340 -6.278 -8.211 712 3HD2 LEU 90 3HD2 LEU 90 -9.368 -5.587 -9.468 713 H LEU 91 H LEU 91 -7.569 -12.205 -8.963 714 HA LEU 91 HA LEU 91 -6.117 -11.055 -11.241 715 1HB LEU 91 2HB LEU 91 -4.770 -12.672 -9.094 716 2HB LEU 91 3HB LEU 91 -4.015 -11.793 -10.422 717 HG LEU 91 HG LEU 91 -5.522 -9.999 -8.742 718 1HD1 LEU 91 1HD1 LEU 91 -4.652 -10.308 -6.661 719 2HD1 LEU 91 2HD1 LEU 91 -3.212 -11.131 -7.261 720 3HD1 LEU 91 3HD1 LEU 91 -4.750 -11.990 -7.183 721 1HD2 LEU 91 1HD2 LEU 91 -3.196 -8.988 -8.554 722 2HD2 LEU 91 2HD2 LEU 91 -3.876 -9.129 -10.176 723 3HD2 LEU 91 3HD2 LEU 91 -2.664 -10.286 -9.623 724 H GLU 92 H GLU 92 -6.778 -14.004 -9.371 725 HA GLU 92 HA GLU 92 -5.976 -15.824 -11.366 726 1HB GLU 92 2HB GLU 92 -6.944 -15.980 -8.746 727 2HB GLU 92 3HB GLU 92 -8.125 -16.849 -9.717 728 1HG GLU 92 2HG GLU 92 -6.454 -18.331 -10.553 729 2HG GLU 92 3HG GLU 92 -5.167 -17.377 -9.818 730 H VAL 93 H VAL 93 -8.917 -14.041 -10.854 731 HA VAL 93 HA VAL 93 -10.336 -15.585 -12.890 732 HB VAL 93 HB VAL 93 -11.379 -13.232 -11.316 733 1HG1 VAL 93 1HG1 VAL 93 -12.582 -15.261 -13.144 734 2HG1 VAL 93 2HG1 VAL 93 -13.557 -14.573 -11.843 735 3HG1 VAL 93 3HG1 VAL 93 -12.847 -13.519 -13.067 736 1HG2 VAL 93 1HG2 VAL 93 -11.378 -14.524 -9.507 737 2HG2 VAL 93 2HG2 VAL 93 -12.514 -15.592 -10.331 738 3HG2 VAL 93 3HG2 VAL 93 -10.781 -15.903 -10.429 739 H LEU 94 H LEU 94 -11.237 -14.617 -14.750 740 HA LEU 94 HA LEU 94 -10.872 -11.919 -15.474 741 1HB LEU 94 2HB LEU 94 -8.496 -13.046 -15.538 742 2HB LEU 94 3HB LEU 94 -9.069 -13.658 -17.088 743 HG LEU 94 HG LEU 94 -7.715 -11.645 -17.357 744 1HD1 LEU 94 1HD1 LEU 94 -9.849 -12.220 -18.740 745 2HD1 LEU 94 2HD1 LEU 94 -9.049 -10.663 -18.951 746 3HD1 LEU 94 3HD1 LEU 94 -10.505 -10.779 -17.963 747 1HD2 LEU 94 1HD2 LEU 94 -9.870 -10.141 -15.893 748 2HD2 LEU 94 2HD2 LEU 94 -8.307 -9.545 -16.453 749 3HD2 LEU 94 3HD2 LEU 94 -8.387 -10.689 -15.111 750 H PHE 95 H PHE 95 -12.242 -11.454 -17.084 751 HA PHE 95 HA PHE 95 -12.858 -13.378 -19.148 752 1HB PHE 95 2HB PHE 95 -14.428 -13.435 -16.864 753 2HB PHE 95 3HB PHE 95 -15.358 -12.437 -17.977 754 HD1 PHE 95 HD1 PHE 95 -16.218 -13.358 -20.054 755 HD2 PHE 95 HD2 PHE 95 -14.057 -15.771 -17.292 756 HE1 PHE 95 HE1 PHE 95 -17.031 -15.382 -21.192 757 HE2 PHE 95 HE2 PHE 95 -14.865 -17.799 -18.427 758 HZ PHE 95 HZ PHE 95 -16.353 -17.606 -20.380 759 H ASN 96 H ASN 96 -12.343 -11.981 -20.748 760 HA ASN 96 HA ASN 96 -14.202 -9.957 -21.452 761 1HB ASN 96 2HB ASN 96 -12.635 -8.026 -21.367 762 2HB ASN 96 3HB ASN 96 -13.054 -8.641 -19.771 763 1HD2 ASN 96 1HD2 ASN 96 -11.309 -8.158 -18.604 764 2HD2 ASN 96 2HD2 ASN 96 -9.700 -8.677 -18.962 765 H GLY 97 H GLY 97 -12.895 -12.308 -22.570 766 1HA GLY 97 2HA GLY 97 -12.465 -12.797 -24.824 767 2HA GLY 97 3HA GLY 97 -12.074 -11.106 -25.094 768 HA PRO 98 HA PRO 98 -8.137 -13.077 -23.088 769 1HB PRO 98 2HB PRO 98 -8.140 -15.777 -22.804 770 2HB PRO 98 3HB PRO 98 -8.715 -14.678 -21.545 771 1HG PRO 98 2HG PRO 98 -10.286 -16.239 -23.559 772 2HG PRO 98 3HG PRO 98 -10.612 -15.992 -21.833 773 1HD PRO 98 2HD PRO 98 -11.883 -14.592 -23.770 774 2HD PRO 98 3HD PRO 98 -11.522 -13.902 -22.175 775 H LEU 99 H LEU 99 -9.891 -15.019 -25.463 776 HA LEU 99 HA LEU 99 -7.409 -15.520 -26.930 777 1HB LEU 99 2HB LEU 99 -8.831 -17.003 -28.327 778 2HB LEU 99 3HB LEU 99 -8.755 -17.460 -26.627 779 HG LEU 99 HG LEU 99 -11.036 -15.752 -27.259 780 1HD1 LEU 99 1HD1 LEU 99 -10.563 -18.265 -28.792 781 2HD1 LEU 99 2HD1 LEU 99 -11.306 -16.752 -29.309 782 3HD1 LEU 99 3HD1 LEU 99 -12.199 -17.862 -28.270 783 1HD2 LEU 99 1HD2 LEU 99 -11.285 -16.722 -25.226 784 2HD2 LEU 99 2HD2 LEU 99 -10.377 -18.165 -25.677 785 3HD2 LEU 99 3HD2 LEU 99 -12.053 -17.979 -26.195 786 H GLU 100 H GLU 100 -6.923 -14.559 -28.817 787 HA GLU 100 HA GLU 100 -8.737 -12.477 -29.770 788 1HB GLU 100 2HB GLU 100 -6.817 -11.638 -31.025 789 2HB GLU 100 3HB GLU 100 -6.407 -11.854 -29.329 790 1HG GLU 100 2HG GLU 100 -5.421 -14.083 -29.979 791 2HG GLU 100 3HG GLU 100 -5.609 -13.574 -31.656 792 H HIS 101 H HIS 101 -8.559 -15.600 -30.329 793 HA HIS 101 HA HIS 101 -9.209 -16.978 -32.018 794 1HB HIS 101 2HB HIS 101 -10.514 -14.484 -32.525 795 2HB HIS 101 3HB HIS 101 -10.022 -15.182 -34.065 796 HD1 HIS 101 HD1 HIS 101 -12.750 -15.206 -31.791 797 HD2 HIS 101 HD2 HIS 101 -10.913 -18.077 -34.166 798 HE1 HIS 101 HE1 HIS 101 -14.433 -17.060 -32.028 Start of MODEL 8 1 1H MET 1 H MET 1 -1.025 2.260 -1.840 2 HA MET 1 HA MET 1 -0.026 0.388 -3.840 3 1HB MET 1 2HB MET 1 -1.164 2.865 -4.067 4 2HB MET 1 3HB MET 1 0.547 3.250 -4.199 5 1HG MET 1 2HG MET 1 -0.996 1.318 -5.912 6 2HG MET 1 3HG MET 1 -0.398 2.906 -6.385 7 1HE MET 1 1HE MET 1 1.766 0.238 -8.384 8 2HE MET 1 2HE MET 1 0.048 0.248 -7.984 9 3HE MET 1 3HE MET 1 0.825 1.718 -8.574 10 H LYS 2 H LYS 2 2.014 -0.277 -3.903 11 HA LYS 2 HA LYS 2 3.939 0.844 -2.043 12 1HB LYS 2 2HB LYS 2 3.966 -1.558 -3.863 13 2HB LYS 2 3HB LYS 2 5.392 -1.042 -2.973 14 1HG LYS 2 2HG LYS 2 3.022 -1.277 -1.297 15 2HG LYS 2 3HG LYS 2 3.483 -2.791 -2.078 16 1HD LYS 2 2HD LYS 2 5.564 -2.835 -1.045 17 2HD LYS 2 3HD LYS 2 5.544 -1.103 -0.709 18 1HE LYS 2 2HE LYS 2 5.081 -1.891 1.379 19 2HE LYS 2 3HE LYS 2 3.440 -1.781 0.745 20 1HZ LYS 2 1HZ LYS 2 4.644 -4.012 1.786 21 2HZ LYS 2 2HZ LYS 2 4.638 -4.287 0.117 22 3HZ LYS 2 3HZ LYS 2 3.188 -3.965 0.926 23 H VAL 3 H VAL 3 5.626 2.109 -2.553 24 HA VAL 3 HA VAL 3 6.140 2.621 -5.412 25 HB VAL 3 HB VAL 3 6.756 4.713 -3.379 26 1HG1 VAL 3 1HG1 VAL 3 5.938 6.115 -5.381 27 2HG1 VAL 3 2HG1 VAL 3 7.489 5.285 -5.513 28 3HG1 VAL 3 3HG1 VAL 3 6.057 4.609 -6.291 29 1HG2 VAL 3 1HG2 VAL 3 4.497 4.105 -2.782 30 2HG2 VAL 3 2HG2 VAL 3 4.481 5.649 -3.635 31 3HG2 VAL 3 3HG2 VAL 3 3.997 4.174 -4.472 32 H TYR 4 H TYR 4 8.213 2.572 -6.100 33 HA TYR 4 HA TYR 4 10.300 2.142 -4.063 34 1HB TYR 4 2HB TYR 4 10.554 0.120 -5.009 35 2HB TYR 4 3HB TYR 4 9.548 0.551 -6.387 36 HD1 TYR 4 HD1 TYR 4 10.511 1.000 -8.482 37 HD2 TYR 4 HD2 TYR 4 12.992 0.834 -5.029 38 HE1 TYR 4 HE1 TYR 4 12.506 1.084 -9.919 39 HE2 TYR 4 HE2 TYR 4 14.993 0.919 -6.456 40 HH TYR 4 HH TYR 4 15.610 1.693 -8.719 41 H VAL 5 H VAL 5 11.685 3.770 -3.991 42 HA VAL 5 HA VAL 5 12.416 5.115 -6.509 43 HB VAL 5 HB VAL 5 12.777 7.188 -5.077 44 1HG1 VAL 5 1HG1 VAL 5 10.525 6.208 -6.413 45 2HG1 VAL 5 2HG1 VAL 5 9.917 6.916 -4.916 46 3HG1 VAL 5 3HG1 VAL 5 10.891 7.888 -6.021 47 1HG2 VAL 5 1HG2 VAL 5 12.190 7.254 -2.916 48 2HG2 VAL 5 2HG2 VAL 5 10.712 6.333 -3.191 49 3HG2 VAL 5 3HG2 VAL 5 12.251 5.493 -2.995 50 H GLY 6 H GLY 6 14.410 4.344 -6.906 51 1HA GLY 6 2HA GLY 6 16.376 4.494 -4.703 52 2HA GLY 6 3HA GLY 6 16.404 3.229 -5.922 53 H ASN 7 H ASN 7 18.574 3.820 -6.414 54 HA ASN 7 HA ASN 7 20.171 4.825 -7.683 55 1HB ASN 7 2HB ASN 7 17.639 5.638 -9.018 56 2HB ASN 7 3HB ASN 7 19.103 6.509 -9.467 57 1HD2 ASN 7 1HD2 ASN 7 17.979 3.186 -8.940 58 2HD2 ASN 7 2HD2 ASN 7 18.822 2.507 -10.287 59 H LEU 8 H LEU 8 20.415 5.886 -5.435 60 HA LEU 8 HA LEU 8 20.014 8.791 -5.620 61 1HB LEU 8 2HB LEU 8 20.901 7.349 -3.151 62 2HB LEU 8 3HB LEU 8 20.083 8.903 -3.293 63 HG LEU 8 HG LEU 8 18.791 6.236 -3.860 64 1HD1 LEU 8 1HD1 LEU 8 19.486 7.346 -1.377 65 2HD1 LEU 8 2HD1 LEU 8 18.418 5.979 -1.691 66 3HD1 LEU 8 3HD1 LEU 8 17.752 7.608 -1.572 67 1HD2 LEU 8 1HD2 LEU 8 18.034 8.681 -4.754 68 2HD2 LEU 8 2HD2 LEU 8 17.183 8.608 -3.210 69 3HD2 LEU 8 3HD2 LEU 8 16.923 7.352 -4.421 70 H GLY 9 H GLY 9 21.811 9.029 -7.083 71 1HA GLY 9 2HA GLY 9 24.344 9.224 -5.623 72 2HA GLY 9 3HA GLY 9 24.327 8.299 -7.118 73 H THR 10 H THR 10 22.965 11.427 -6.077 74 HA THR 10 HA THR 10 24.666 13.003 -7.670 75 HB THR 10 HB THR 10 23.466 11.936 -9.542 76 HG1 THR 10 HG1 THR 10 23.915 13.855 -10.323 77 1HG2 THR 10 1HG2 THR 10 21.198 11.890 -9.776 78 2HG2 THR 10 2HG2 THR 10 20.967 13.403 -8.898 79 3HG2 THR 10 3HG2 THR 10 21.279 11.909 -8.015 80 H GLY 11 H GLY 11 23.407 12.965 -5.053 81 1HA GLY 11 2HA GLY 11 22.792 14.668 -3.601 82 2HA GLY 11 3HA GLY 11 22.567 15.725 -4.987 83 H ALA 12 H ALA 12 21.010 12.627 -4.911 84 HA ALA 12 HA ALA 12 18.462 13.919 -4.197 85 1HB ALA 12 1HB ALA 12 17.320 12.947 -5.989 86 2HB ALA 12 2HB ALA 12 18.829 13.520 -6.701 87 3HB ALA 12 3HB ALA 12 18.626 11.810 -6.324 88 H GLY 13 H GLY 13 18.025 13.041 -2.258 89 1HA GLY 13 2HA GLY 13 17.948 10.096 -2.112 90 2HA GLY 13 3HA GLY 13 18.663 11.036 -0.810 91 H LYS 14 H LYS 14 17.356 11.037 0.885 92 HA LYS 14 HA LYS 14 14.588 10.519 0.770 93 1HB LYS 14 2HB LYS 14 16.238 10.260 2.745 94 2HB LYS 14 3HB LYS 14 15.910 11.960 3.055 95 1HG LYS 14 2HG LYS 14 13.505 10.342 2.699 96 2HG LYS 14 3HG LYS 14 14.499 9.863 4.076 97 1HD LYS 14 2HD LYS 14 14.543 12.385 4.629 98 2HD LYS 14 3HD LYS 14 13.165 12.493 3.532 99 1HE LYS 14 2HE LYS 14 12.361 12.244 5.787 100 2HE LYS 14 3HE LYS 14 12.009 10.772 4.883 101 1HZ LYS 14 1HZ LYS 14 13.410 11.009 7.273 102 2HZ LYS 14 2HZ LYS 14 14.534 10.534 6.102 103 3HZ LYS 14 3HZ LYS 14 13.144 9.607 6.365 104 H GLY 15 H GLY 15 16.384 13.548 1.308 105 1HA GLY 15 2HA GLY 15 14.157 15.229 1.583 106 2HA GLY 15 3HA GLY 15 15.757 15.741 1.064 107 H GLU 16 H GLU 16 15.985 14.311 -1.316 108 HA GLU 16 HA GLU 16 14.628 16.007 -3.103 109 1HB GLU 16 2HB GLU 16 16.629 13.975 -3.249 110 2HB GLU 16 3HB GLU 16 15.409 13.636 -4.469 111 1HG GLU 16 2HG GLU 16 17.072 16.115 -4.156 112 2HG GLU 16 3HG GLU 16 17.058 14.973 -5.499 113 H LEU 17 H LEU 17 14.199 12.508 -2.549 114 HA LEU 17 HA LEU 17 11.921 12.231 -4.163 115 1HB LEU 17 2HB LEU 17 11.842 10.075 -3.437 116 2HB LEU 17 3HB LEU 17 13.505 10.477 -3.017 117 HG LEU 17 HG LEU 17 12.364 11.095 -0.697 118 1HD1 LEU 17 1HD1 LEU 17 10.384 9.439 -2.130 119 2HD1 LEU 17 2HD1 LEU 17 10.160 10.626 -0.845 120 3HD1 LEU 17 3HD1 LEU 17 10.718 8.999 -0.455 121 1HD2 LEU 17 1HD2 LEU 17 14.123 9.308 -1.407 122 2HD2 LEU 17 2HD2 LEU 17 12.769 8.188 -1.253 123 3HD2 LEU 17 3HD2 LEU 17 13.281 9.151 0.134 124 H GLU 18 H GLU 18 12.321 13.318 -0.879 125 HA GLU 18 HA GLU 18 9.626 13.016 -0.050 126 1HB GLU 18 2HB GLU 18 11.386 13.265 1.591 127 2HB GLU 18 3HB GLU 18 11.818 14.841 0.944 128 1HG GLU 18 2HG GLU 18 9.882 15.847 1.785 129 2HG GLU 18 3HG GLU 18 9.090 14.295 2.056 130 H ARG 19 H ARG 19 11.452 15.791 -1.314 131 HA ARG 19 HA ARG 19 9.318 17.628 -1.233 132 1HB ARG 19 2HB ARG 19 11.814 18.104 -1.524 133 2HB ARG 19 3HB ARG 19 11.578 17.715 -3.222 134 1HG ARG 19 2HG ARG 19 11.109 19.868 -3.502 135 2HG ARG 19 3HG ARG 19 9.570 19.525 -2.710 136 1HD ARG 19 2HD ARG 19 12.064 20.270 -1.200 137 2HD ARG 19 3HD ARG 19 10.900 21.463 -1.776 138 HE ARG 19 HE ARG 19 9.557 19.483 -0.294 139 1HH1 ARG 19 1HH1 ARG 19 11.761 22.144 0.131 140 2HH1 ARG 19 2HH1 ARG 19 11.239 22.488 1.747 141 1HH2 ARG 19 1HH2 ARG 19 8.862 19.925 1.832 142 2HH2 ARG 19 2HH2 ARG 19 9.590 21.225 2.714 143 H ALA 20 H ALA 20 10.513 15.506 -3.809 144 HA ALA 20 HA ALA 20 8.777 16.388 -5.834 145 1HB ALA 20 1HB ALA 20 9.553 13.536 -5.829 146 2HB ALA 20 2HB ALA 20 9.681 14.747 -7.105 147 3HB ALA 20 3HB ALA 20 10.864 14.715 -5.797 148 H PHE 21 H PHE 21 8.534 13.414 -3.872 149 HA PHE 21 HA PHE 21 6.032 12.598 -4.697 150 1HB PHE 21 2HB PHE 21 7.650 12.184 -2.235 151 2HB PHE 21 3HB PHE 21 5.949 11.737 -2.166 152 HD1 PHE 21 HD1 PHE 21 8.953 11.280 -4.323 153 HD2 PHE 21 HD2 PHE 21 5.333 9.620 -2.820 154 HE1 PHE 21 HE1 PHE 21 9.476 9.145 -5.430 155 HE2 PHE 21 HE2 PHE 21 5.851 7.483 -3.924 156 HZ PHE 21 HZ PHE 21 7.924 7.243 -5.230 157 H SER 22 H SER 22 6.788 14.615 -1.858 158 HA SER 22 HA SER 22 4.165 15.077 -1.036 159 1HB SER 22 2HB SER 22 5.812 15.702 0.508 160 2HB SER 22 3HB SER 22 6.727 16.613 -0.692 161 HG SER 22 HG SER 22 5.130 17.647 0.998 162 H TYR 23 H TYR 23 6.185 16.859 -3.330 163 HA TYR 23 HA TYR 23 4.525 19.039 -3.790 164 1HB TYR 23 2HB TYR 23 6.719 17.702 -5.231 165 2HB TYR 23 3HB TYR 23 5.625 18.627 -6.253 166 HD1 TYR 23 HD1 TYR 23 6.700 19.356 -2.767 167 HD2 TYR 23 HD2 TYR 23 6.892 20.496 -6.861 168 HE1 TYR 23 HE1 TYR 23 7.863 21.427 -2.129 169 HE2 TYR 23 HE2 TYR 23 8.057 22.569 -6.236 170 HH TYR 23 HH TYR 23 9.480 23.374 -4.316 171 H TYR 24 H TYR 24 4.569 15.873 -5.395 172 HA TYR 24 HA TYR 24 2.413 16.486 -7.158 173 1HB TYR 24 2HB TYR 24 3.840 13.961 -6.379 174 2HB TYR 24 3HB TYR 24 2.385 13.895 -7.367 175 HD1 TYR 24 HD1 TYR 24 2.817 13.615 -9.607 176 HD2 TYR 24 HD2 TYR 24 5.481 16.001 -7.303 177 HE1 TYR 24 HE1 TYR 24 4.160 14.049 -11.621 178 HE2 TYR 24 HE2 TYR 24 6.831 16.443 -9.311 179 HH TYR 24 HH TYR 24 6.795 16.352 -11.610 180 H GLY 25 H GLY 25 2.673 15.077 -3.961 181 1HA GLY 25 2HA GLY 25 0.115 15.669 -3.133 182 2HA GLY 25 3HA GLY 25 0.000 14.072 -3.857 183 HA PRO 26 HA PRO 26 1.605 14.025 0.645 184 1HB PRO 26 2HB PRO 26 -0.702 13.373 1.920 185 2HB PRO 26 3HB PRO 26 -0.181 15.044 1.671 186 1HG PRO 26 2HG PRO 26 -2.164 13.427 0.117 187 2HG PRO 26 3HG PRO 26 -2.269 15.115 0.652 188 1HD PRO 26 2HD PRO 26 -1.599 14.428 -1.880 189 2HD PRO 26 3HD PRO 26 -0.956 15.877 -1.082 190 H LEU 27 H LEU 27 2.682 12.144 0.620 191 HA LEU 27 HA LEU 27 1.390 9.689 -0.218 192 1HB LEU 27 2HB LEU 27 3.618 8.688 0.119 193 2HB LEU 27 3HB LEU 27 3.634 10.070 -0.974 194 HG LEU 27 HG LEU 27 4.366 11.406 1.127 195 1HD1 LEU 27 1HD1 LEU 27 4.844 8.563 1.963 196 2HD1 LEU 27 2HD1 LEU 27 4.066 9.864 2.863 197 3HD1 LEU 27 3HD1 LEU 27 5.808 9.898 2.594 198 1HD2 LEU 27 1HD2 LEU 27 6.736 10.030 0.643 199 2HD2 LEU 27 2HD2 LEU 27 6.150 11.465 -0.199 200 3HD2 LEU 27 3HD2 LEU 27 5.803 9.860 -0.844 201 H ARG 28 H ARG 28 1.602 7.709 1.103 202 HA ARG 28 HA ARG 28 0.460 8.065 3.654 203 1HB ARG 28 2HB ARG 28 0.843 5.938 1.881 204 2HB ARG 28 3HB ARG 28 1.716 5.473 3.335 205 1HG ARG 28 2HG ARG 28 -0.929 6.571 3.880 206 2HG ARG 28 3HG ARG 28 -0.958 5.111 2.888 207 1HD ARG 28 2HD ARG 28 -0.155 3.798 4.557 208 2HD ARG 28 3HD ARG 28 0.830 5.088 5.244 209 HE ARG 28 HE ARG 28 -1.774 5.817 5.728 210 1HH1 ARG 28 1HH1 ARG 28 0.260 3.098 6.498 211 2HH1 ARG 28 2HH1 ARG 28 -0.553 2.745 7.987 212 1HH2 ARG 28 1HH2 ARG 28 -2.852 5.363 7.686 213 2HH2 ARG 28 2HH2 ARG 28 -2.324 4.034 8.661 214 H THR 29 H THR 29 3.696 6.910 2.710 215 HA THR 29 HA THR 29 4.938 8.219 4.925 216 HB THR 29 HB THR 29 5.888 5.792 5.622 217 HG1 THR 29 HG1 THR 29 3.121 5.364 5.088 218 1HG2 THR 29 1HG2 THR 29 3.371 6.399 6.997 219 2HG2 THR 29 2HG2 THR 29 4.454 7.781 6.827 220 3HG2 THR 29 3HG2 THR 29 5.015 6.314 7.628 221 H VAL 30 H VAL 30 7.224 8.138 4.839 222 HA VAL 30 HA VAL 30 8.259 7.160 2.262 223 HB VAL 30 HB VAL 30 8.397 9.609 2.616 224 1HG1 VAL 30 1HG1 VAL 30 10.343 8.925 4.816 225 2HG1 VAL 30 2HG1 VAL 30 9.895 10.540 4.262 226 3HG1 VAL 30 3HG1 VAL 30 8.703 9.521 5.070 227 1HG2 VAL 30 1HG2 VAL 30 11.232 8.810 2.684 228 2HG2 VAL 30 2HG2 VAL 30 10.229 7.972 1.499 229 3HG2 VAL 30 3HG2 VAL 30 10.339 9.732 1.474 230 H TRP 31 H TRP 31 10.301 6.151 2.182 231 HA TRP 31 HA TRP 31 11.548 5.397 4.709 232 1HB TRP 31 2HB TRP 31 9.727 3.686 3.698 233 2HB TRP 31 3HB TRP 31 11.154 3.150 2.815 234 HD1 TRP 31 HD1 TRP 31 10.116 3.777 6.505 235 HE1 TRP 31 HE1 TRP 31 11.326 2.041 7.970 236 HE3 TRP 31 HE3 TRP 31 12.898 1.465 2.893 237 HZ2 TRP 31 HZ2 TRP 31 13.211 -0.034 7.639 238 HZ3 TRP 31 HZ3 TRP 31 14.380 -0.386 3.550 239 HH2 TRP 31 HH2 TRP 31 14.532 -1.118 5.874 240 H ILE 32 H ILE 32 13.717 4.839 4.534 241 HA ILE 32 HA ILE 32 14.898 5.036 1.845 242 HB ILE 32 HB ILE 32 15.730 6.483 4.343 243 1HG1 ILE 32 2HG1 ILE 32 14.194 7.428 2.474 244 2HG1 ILE 32 3HG1 ILE 32 15.521 8.424 3.062 245 1HG2 ILE 32 1HG2 ILE 32 17.794 7.115 2.952 246 2HG2 ILE 32 2HG2 ILE 32 17.776 5.540 3.743 247 3HG2 ILE 32 3HG2 ILE 32 17.434 5.664 2.017 248 1HD1 ILE 32 1HD1 ILE 32 16.147 6.691 0.771 249 2HD1 ILE 32 2HD1 ILE 32 15.001 7.997 0.467 250 3HD1 ILE 32 3HD1 ILE 32 16.607 8.361 1.099 251 H ALA 33 H ALA 33 16.584 3.682 1.410 252 HA ALA 33 HA ALA 33 17.215 1.700 3.490 253 1HB ALA 33 1HB ALA 33 17.856 1.255 0.612 254 2HB ALA 33 2HB ALA 33 17.434 0.090 1.867 255 3HB ALA 33 3HB ALA 33 16.184 1.111 1.156 256 H ARG 34 H ARG 34 19.009 2.331 4.535 257 HA ARG 34 HA ARG 34 21.146 3.726 3.207 258 1HB ARG 34 2HB ARG 34 20.315 3.819 5.723 259 2HB ARG 34 3HB ARG 34 21.490 2.525 5.916 260 1HG ARG 34 2HG ARG 34 23.197 4.040 4.889 261 2HG ARG 34 3HG ARG 34 21.997 5.332 4.968 262 1HD ARG 34 2HD ARG 34 22.845 3.728 7.368 263 2HD ARG 34 3HD ARG 34 23.647 5.220 6.881 264 HE ARG 34 HE ARG 34 20.819 5.534 7.146 265 1HH1 ARG 34 1HH1 ARG 34 23.821 5.424 8.904 266 2HH1 ARG 34 2HH1 ARG 34 23.237 6.388 10.220 267 1HH2 ARG 34 1HH2 ARG 34 20.037 6.803 8.873 268 2HH2 ARG 34 2HH2 ARG 34 21.084 7.171 10.202 269 H ASN 35 H ASN 35 20.432 0.442 4.115 270 HA ASN 35 HA ASN 35 22.886 -0.765 4.203 271 1HB ASN 35 2HB ASN 35 20.168 -1.600 3.533 272 2HB ASN 35 3HB ASN 35 21.396 -2.561 2.714 273 1HD2 ASN 35 1HD2 ASN 35 22.084 -4.260 3.777 274 2HD2 ASN 35 2HD2 ASN 35 22.066 -4.470 5.492 275 HA PRO 36 HA PRO 36 22.984 -1.200 -0.606 276 1HB PRO 36 2HB PRO 36 21.132 0.189 -2.024 277 2HB PRO 36 3HB PRO 36 20.860 -1.459 -1.443 278 1HG PRO 36 2HG PRO 36 19.941 1.139 -0.272 279 2HG PRO 36 3HG PRO 36 19.046 -0.380 -0.466 280 1HD PRO 36 2HD PRO 36 20.142 0.374 1.893 281 2HD PRO 36 3HD PRO 36 20.000 -1.327 1.406 282 HA PRO 37 HA PRO 37 25.190 2.499 -1.495 283 1HB PRO 37 2HB PRO 37 25.214 2.578 -4.208 284 2HB PRO 37 3HB PRO 37 26.155 1.410 -3.273 285 1HG PRO 37 2HG PRO 37 23.521 1.051 -4.651 286 2HG PRO 37 3HG PRO 37 24.918 -0.040 -4.605 287 1HD PRO 37 2HD PRO 37 22.738 -0.399 -3.041 288 2HD PRO 37 3HD PRO 37 24.372 -0.855 -2.520 289 H GLY 38 H GLY 38 22.050 2.163 -3.042 290 1HA GLY 38 2HA GLY 38 21.261 4.797 -2.383 291 2HA GLY 38 3HA GLY 38 21.736 4.736 -4.074 292 H PHE 39 H PHE 39 19.516 3.410 -1.680 293 HA PHE 39 HA PHE 39 17.496 3.142 -3.757 294 1HB PHE 39 2HB PHE 39 18.662 0.857 -2.226 295 2HB PHE 39 3HB PHE 39 16.944 0.826 -2.607 296 HD1 PHE 39 HD1 PHE 39 16.395 1.402 -5.137 297 HD2 PHE 39 HD2 PHE 39 20.114 -0.104 -3.716 298 HE1 PHE 39 HE1 PHE 39 16.909 0.555 -7.389 299 HE2 PHE 39 HE2 PHE 39 20.634 -0.953 -5.966 300 HZ PHE 39 HZ PHE 39 19.031 -0.623 -7.806 301 H ALA 40 H ALA 40 15.481 3.594 -3.044 302 HA ALA 40 HA ALA 40 14.966 3.620 -0.160 303 1HB ALA 40 1HB ALA 40 15.706 5.916 -1.177 304 2HB ALA 40 2HB ALA 40 14.040 5.962 -1.756 305 3HB ALA 40 3HB ALA 40 14.370 5.834 -0.028 306 H PHE 41 H PHE 41 12.674 3.766 0.371 307 HA PHE 41 HA PHE 41 10.904 2.952 -1.832 308 1HB PHE 41 2HB PHE 41 11.080 1.682 0.907 309 2HB PHE 41 3HB PHE 41 9.813 1.345 -0.268 310 HD1 PHE 41 HD1 PHE 41 10.175 -0.133 -2.078 311 HD2 PHE 41 HD2 PHE 41 13.421 1.034 0.415 312 HE1 PHE 41 HE1 PHE 41 11.578 -1.882 -3.092 313 HE2 PHE 41 HE2 PHE 41 14.829 -0.713 -0.594 314 HZ PHE 41 HZ PHE 41 13.908 -2.173 -2.351 315 H VAL 42 H VAL 42 8.755 3.590 -1.668 316 HA VAL 42 HA VAL 42 8.030 5.279 0.621 317 HB VAL 42 HB VAL 42 7.620 6.085 -2.263 318 1HG1 VAL 42 1HG1 VAL 42 5.858 7.138 -1.319 319 2HG1 VAL 42 2HG1 VAL 42 6.544 7.064 0.305 320 3HG1 VAL 42 3HG1 VAL 42 7.094 8.297 -0.831 321 1HG2 VAL 42 1HG2 VAL 42 9.266 7.751 -1.952 322 2HG2 VAL 42 2HG2 VAL 42 9.342 7.461 -0.214 323 3HG2 VAL 42 3HG2 VAL 42 9.972 6.256 -1.337 324 H GLU 43 H GLU 43 5.813 5.415 1.055 325 HA GLU 43 HA GLU 43 4.159 3.454 -0.397 326 1HB GLU 43 2HB GLU 43 4.192 4.199 2.526 327 2HB GLU 43 3HB GLU 43 2.869 3.306 1.789 328 1HG GLU 43 2HG GLU 43 5.157 1.941 1.004 329 2HG GLU 43 3HG GLU 43 5.447 2.378 2.687 330 H PHE 44 H PHE 44 2.470 4.253 -1.444 331 HA PHE 44 HA PHE 44 1.556 6.963 -0.778 332 1HB PHE 44 2HB PHE 44 2.005 5.557 -3.261 333 2HB PHE 44 3HB PHE 44 0.348 6.146 -3.179 334 HD1 PHE 44 HD1 PHE 44 3.290 6.939 -4.554 335 HD2 PHE 44 HD2 PHE 44 0.453 8.661 -1.888 336 HE1 PHE 44 HE1 PHE 44 4.065 9.188 -5.187 337 HE2 PHE 44 HE2 PHE 44 1.222 10.911 -2.518 338 HZ PHE 44 HZ PHE 44 3.030 11.177 -4.169 339 H GLU 45 H GLU 45 -0.274 7.160 0.315 340 HA GLU 45 HA GLU 45 -1.928 5.052 1.063 341 1HB GLU 45 2HB GLU 45 -3.385 6.676 1.996 342 2HB GLU 45 3HB GLU 45 -1.761 7.335 2.139 343 1HG GLU 45 2HG GLU 45 -2.228 8.603 0.006 344 2HG GLU 45 3HG GLU 45 -3.911 8.117 0.197 345 H ASP 46 H ASP 46 -1.987 7.071 -1.773 346 HA ASP 46 HA ASP 46 -4.356 5.597 -2.722 347 1HB ASP 46 2HB ASP 46 -4.016 8.405 -2.443 348 2HB ASP 46 3HB ASP 46 -4.044 8.044 -4.167 349 HA PRO 47 HA PRO 47 -1.872 4.182 -6.060 350 1HB PRO 47 2HB PRO 47 -3.805 3.733 -7.913 351 2HB PRO 47 3HB PRO 47 -3.567 2.695 -6.502 352 1HG PRO 47 2HG PRO 47 -5.559 4.889 -6.925 353 2HG PRO 47 3HG PRO 47 -5.794 3.289 -6.197 354 1HD PRO 47 2HD PRO 47 -5.499 5.535 -4.714 355 2HD PRO 47 3HD PRO 47 -4.926 3.947 -4.166 356 H ARG 48 H ARG 48 -4.416 6.490 -7.029 357 HA ARG 48 HA ARG 48 -3.367 7.340 -9.429 358 1HB ARG 48 2HB ARG 48 -5.582 7.990 -8.403 359 2HB ARG 48 3HB ARG 48 -4.706 9.167 -7.433 360 1HG ARG 48 2HG ARG 48 -4.240 10.514 -9.238 361 2HG ARG 48 3HG ARG 48 -4.397 9.194 -10.398 362 1HD ARG 48 2HD ARG 48 -6.257 10.874 -10.446 363 2HD ARG 48 3HD ARG 48 -6.768 9.203 -10.211 364 HE ARG 48 HE ARG 48 -6.416 10.457 -7.710 365 1HH1 ARG 48 1HH1 ARG 48 -8.553 10.432 -10.458 366 2HH1 ARG 48 2HH1 ARG 48 -9.944 10.917 -9.546 367 1HH2 ARG 48 1HH2 ARG 48 -8.240 11.096 -6.498 368 2HH2 ARG 48 2HH2 ARG 48 -9.764 11.296 -7.294 369 H ASP 49 H ASP 49 -2.599 8.502 -6.173 370 HA ASP 49 HA ASP 49 -0.882 10.593 -6.939 371 1HB ASP 49 2HB ASP 49 -0.601 8.969 -4.411 372 2HB ASP 49 3HB ASP 49 -0.172 10.659 -4.667 373 H ALA 50 H ALA 50 -0.341 7.157 -6.453 374 HA ALA 50 HA ALA 50 2.510 7.306 -6.607 375 1HB ALA 50 1HB ALA 50 0.586 5.325 -6.012 376 2HB ALA 50 2HB ALA 50 1.572 4.719 -7.343 377 3HB ALA 50 3HB ALA 50 2.339 5.233 -5.840 378 H GLU 51 H GLU 51 -0.074 6.524 -8.900 379 HA GLU 51 HA GLU 51 1.549 5.769 -11.056 380 1HB GLU 51 2HB GLU 51 -1.231 6.911 -10.896 381 2HB GLU 51 3HB GLU 51 -0.481 6.532 -12.441 382 1HG GLU 51 2HG GLU 51 -0.517 4.266 -12.061 383 2HG GLU 51 3HG GLU 51 -0.566 4.453 -10.309 384 H ASP 52 H ASP 52 0.170 8.932 -10.212 385 HA ASP 52 HA ASP 52 1.319 10.304 -12.416 386 1HB ASP 52 2HB ASP 52 -0.086 11.073 -9.910 387 2HB ASP 52 3HB ASP 52 0.896 12.309 -10.693 388 H ALA 53 H ALA 53 2.199 10.199 -8.965 389 HA ALA 53 HA ALA 53 4.461 11.792 -9.062 390 1HB ALA 53 1HB ALA 53 3.742 9.468 -7.302 391 2HB ALA 53 2HB ALA 53 5.229 10.391 -7.079 392 3HB ALA 53 3HB ALA 53 3.664 11.192 -6.937 393 H VAL 54 H VAL 54 4.349 8.231 -9.277 394 HA VAL 54 HA VAL 54 7.060 7.828 -9.791 395 HB VAL 54 HB VAL 54 4.677 6.185 -10.645 396 1HG1 VAL 54 1HG1 VAL 54 6.636 4.389 -10.630 397 2HG1 VAL 54 2HG1 VAL 54 6.212 5.306 -12.077 398 3HG1 VAL 54 3HG1 VAL 54 7.585 5.804 -11.087 399 1HG2 VAL 54 1HG2 VAL 54 4.650 5.417 -8.560 400 2HG2 VAL 54 2HG2 VAL 54 6.363 5.004 -8.647 401 3HG2 VAL 54 3HG2 VAL 54 5.870 6.619 -8.139 402 H ARG 55 H ARG 55 4.360 8.122 -12.094 403 HA ARG 55 HA ARG 55 5.774 7.800 -14.452 404 1HB ARG 55 2HB ARG 55 3.281 9.285 -13.726 405 2HB ARG 55 3HB ARG 55 3.954 9.483 -15.338 406 1HG ARG 55 2HG ARG 55 3.686 7.186 -15.833 407 2HG ARG 55 3HG ARG 55 3.335 6.795 -14.148 408 1HD ARG 55 2HD ARG 55 1.209 7.725 -14.244 409 2HD ARG 55 3HD ARG 55 1.599 8.713 -15.652 410 HE ARG 55 HE ARG 55 0.602 6.040 -15.657 411 1HH1 ARG 55 1HH1 ARG 55 2.610 8.289 -17.398 412 2HH1 ARG 55 2HH1 ARG 55 2.380 7.510 -18.928 413 1HH2 ARG 55 1HH2 ARG 55 0.293 5.005 -17.666 414 2HH2 ARG 55 2HH2 ARG 55 1.062 5.643 -19.080 415 H GLY 56 H GLY 56 5.434 10.652 -12.417 416 1HA GLY 56 2HA GLY 56 6.728 12.409 -14.293 417 2HA GLY 56 3HA GLY 56 6.315 12.782 -12.626 418 H LEU 57 H LEU 57 7.697 11.432 -11.002 419 HA LEU 57 HA LEU 57 10.295 12.330 -11.089 420 1HB LEU 57 2HB LEU 57 8.955 10.102 -9.624 421 2HB LEU 57 3HB LEU 57 10.703 10.291 -9.502 422 HG LEU 57 HG LEU 57 10.387 12.551 -8.599 423 1HD1 LEU 57 1HD1 LEU 57 8.274 13.080 -9.706 424 2HD1 LEU 57 2HD1 LEU 57 8.168 13.323 -7.963 425 3HD1 LEU 57 3HD1 LEU 57 7.446 11.893 -8.699 426 1HD2 LEU 57 1HD2 LEU 57 9.400 10.100 -7.320 427 2HD2 LEU 57 2HD2 LEU 57 8.877 11.600 -6.554 428 3HD2 LEU 57 3HD2 LEU 57 10.597 11.270 -6.766 429 H ASP 58 H ASP 58 9.030 9.210 -12.179 430 HA ASP 58 HA ASP 58 11.624 8.252 -12.981 431 1HB ASP 58 2HB ASP 58 9.729 6.775 -12.208 432 2HB ASP 58 3HB ASP 58 8.927 7.120 -13.738 433 H GLY 59 H GLY 59 8.797 9.651 -14.563 434 1HA GLY 59 2HA GLY 59 9.406 9.205 -17.221 435 2HA GLY 59 3HA GLY 59 8.569 10.632 -16.628 436 H LYS 60 H LYS 60 10.430 11.990 -15.248 437 HA LYS 60 HA LYS 60 12.751 12.287 -17.015 438 1HB LYS 60 2HB LYS 60 10.600 13.961 -17.242 439 2HB LYS 60 3HB LYS 60 11.601 14.832 -16.088 440 1HG LYS 60 2HG LYS 60 13.353 14.004 -18.094 441 2HG LYS 60 3HG LYS 60 11.902 14.555 -18.934 442 1HD LYS 60 2HD LYS 60 12.185 16.518 -17.097 443 2HD LYS 60 3HD LYS 60 13.874 16.073 -17.354 444 1HE LYS 60 2HE LYS 60 13.619 17.642 -18.997 445 2HE LYS 60 3HE LYS 60 13.167 16.190 -19.888 446 1HZ LYS 60 1HZ LYS 60 11.148 17.003 -20.221 447 2HZ LYS 60 2HZ LYS 60 11.654 18.468 -19.545 448 3HZ LYS 60 3HZ LYS 60 10.915 17.299 -18.571 449 H VAL 61 H VAL 61 13.613 14.719 -15.752 450 HA VAL 61 HA VAL 61 14.595 13.575 -13.244 451 HB VAL 61 HB VAL 61 16.359 15.192 -13.316 452 1HG1 VAL 61 1HG1 VAL 61 16.358 14.597 -16.191 453 2HG1 VAL 61 2HG1 VAL 61 17.528 14.169 -14.941 454 3HG1 VAL 61 3HG1 VAL 61 16.063 13.208 -15.147 455 1HG2 VAL 61 1HG2 VAL 61 14.549 16.563 -15.201 456 2HG2 VAL 61 2HG2 VAL 61 15.659 17.230 -14.004 457 3HG2 VAL 61 3HG2 VAL 61 16.272 16.670 -15.560 458 H ILE 62 H ILE 62 14.388 14.581 -11.272 459 HA ILE 62 HA ILE 62 12.344 16.684 -11.148 460 HB ILE 62 HB ILE 62 11.716 14.784 -9.856 461 1HG1 ILE 62 2HG1 ILE 62 11.545 15.731 -7.610 462 2HG1 ILE 62 3HG1 ILE 62 12.855 16.853 -7.963 463 1HG2 ILE 62 1HG2 ILE 62 13.620 14.528 -7.826 464 2HG2 ILE 62 2HG2 ILE 62 13.286 13.391 -9.131 465 3HG2 ILE 62 3HG2 ILE 62 14.538 14.617 -9.329 466 1HD1 ILE 62 1HD1 ILE 62 11.497 17.986 -9.595 467 2HD1 ILE 62 2HD1 ILE 62 10.202 16.807 -9.380 468 3HD1 ILE 62 3HD1 ILE 62 10.633 17.895 -8.061 469 H CYS 63 H CYS 63 13.522 18.544 -11.437 470 HA CYS 63 HA CYS 63 14.793 20.333 -10.847 471 1HB CYS 63 2HB CYS 63 13.739 19.455 -8.506 472 2HB CYS 63 3HB CYS 63 15.457 19.323 -8.150 473 HG CYS 63 HG CYS 63 13.700 22.142 -8.927 474 H GLY 64 H GLY 64 16.019 18.007 -12.043 475 1HA GLY 64 2HA GLY 64 18.241 17.760 -12.775 476 2HA GLY 64 3HA GLY 64 18.785 18.623 -11.344 477 H SER 65 H SER 65 16.495 16.074 -10.937 478 HA SER 65 HA SER 65 18.647 14.267 -10.054 479 1HB SER 65 2HB SER 65 17.868 14.833 -7.975 480 2HB SER 65 3HB SER 65 16.262 15.251 -8.573 481 HG SER 65 HG SER 65 15.929 13.385 -7.528 482 H ARG 66 H ARG 66 18.549 12.967 -11.861 483 HA ARG 66 HA ARG 66 16.030 11.903 -12.787 484 1HB ARG 66 2HB ARG 66 18.170 12.446 -14.174 485 2HB ARG 66 3HB ARG 66 18.711 10.862 -13.635 486 1HG ARG 66 2HG ARG 66 17.230 9.756 -14.941 487 2HG ARG 66 3HG ARG 66 16.002 11.016 -14.806 488 1HD ARG 66 2HD ARG 66 16.602 11.817 -16.786 489 2HD ARG 66 3HD ARG 66 18.230 12.111 -16.176 490 HE ARG 66 HE ARG 66 17.994 9.399 -16.845 491 1HH1 ARG 66 1HH1 ARG 66 18.082 12.528 -18.370 492 2HH1 ARG 66 2HH1 ARG 66 18.762 11.933 -19.848 493 1HH2 ARG 66 1HH2 ARG 66 18.889 8.604 -18.787 494 2HH2 ARG 66 2HH2 ARG 66 19.220 9.701 -20.085 495 H VAL 67 H VAL 67 15.998 11.175 -10.283 496 HA VAL 67 HA VAL 67 17.347 8.816 -9.556 497 HB VAL 67 HB VAL 67 15.466 8.535 -7.894 498 1HG1 VAL 67 1HG1 VAL 67 16.027 10.792 -6.753 499 2HG1 VAL 67 2HG1 VAL 67 17.325 9.633 -7.048 500 3HG1 VAL 67 3HG1 VAL 67 17.119 11.019 -8.120 501 1HG2 VAL 67 1HG2 VAL 67 13.795 9.706 -9.394 502 2HG2 VAL 67 2HG2 VAL 67 13.777 10.178 -7.695 503 3HG2 VAL 67 3HG2 VAL 67 14.546 11.220 -8.892 504 H ARG 68 H ARG 68 15.981 6.782 -8.944 505 HA ARG 68 HA ARG 68 14.537 5.969 -11.377 506 1HB ARG 68 2HB ARG 68 16.712 4.797 -10.685 507 2HB ARG 68 3HB ARG 68 15.775 4.094 -9.373 508 1HG ARG 68 2HG ARG 68 15.675 2.457 -10.990 509 2HG ARG 68 3HG ARG 68 14.167 3.336 -11.254 510 1HD ARG 68 2HD ARG 68 16.008 4.684 -12.819 511 2HD ARG 68 3HD ARG 68 16.456 2.989 -13.008 512 HE ARG 68 HE ARG 68 13.747 3.023 -13.342 513 1HH1 ARG 68 1HH1 ARG 68 16.436 4.659 -14.830 514 2HH1 ARG 68 2HH1 ARG 68 15.661 4.807 -16.372 515 1HH2 ARG 68 1HH2 ARG 68 12.716 3.211 -15.368 516 2HH2 ARG 68 2HH2 ARG 68 13.544 3.984 -16.677 517 H VAL 69 H VAL 69 12.415 6.218 -11.010 518 HA VAL 69 HA VAL 69 11.317 5.169 -8.483 519 HB VAL 69 HB VAL 69 10.088 7.244 -10.304 520 1HG1 VAL 69 1HG1 VAL 69 8.261 6.317 -9.278 521 2HG1 VAL 69 2HG1 VAL 69 9.168 5.850 -7.838 522 3HG1 VAL 69 3HG1 VAL 69 8.708 7.535 -8.085 523 1HG2 VAL 69 1HG2 VAL 69 10.517 8.567 -8.025 524 2HG2 VAL 69 2HG2 VAL 69 11.868 7.436 -7.945 525 3HG2 VAL 69 3HG2 VAL 69 11.701 8.513 -9.331 526 H GLU 70 H GLU 70 9.719 3.669 -8.540 527 HA GLU 70 HA GLU 70 8.157 3.123 -10.863 528 1HB GLU 70 2HB GLU 70 10.687 1.881 -10.762 529 2HB GLU 70 3HB GLU 70 9.514 0.636 -10.356 530 1HG GLU 70 2HG GLU 70 8.312 1.037 -12.404 531 2HG GLU 70 3HG GLU 70 9.373 2.388 -12.798 532 H LEU 71 H LEU 71 6.771 1.154 -10.538 533 HA LEU 71 HA LEU 71 6.149 0.879 -7.676 534 1HB LEU 71 2HB LEU 71 4.330 0.340 -10.015 535 2HB LEU 71 3HB LEU 71 3.884 0.412 -8.311 536 HG LEU 71 HG LEU 71 4.951 2.801 -9.795 537 1HD1 LEU 71 1HD1 LEU 71 2.235 3.178 -9.489 538 2HD1 LEU 71 2HD1 LEU 71 2.364 1.511 -10.049 539 3HD1 LEU 71 3HD1 LEU 71 3.077 2.817 -10.996 540 1HD2 LEU 71 1HD2 LEU 71 5.017 3.460 -7.638 541 2HD2 LEU 71 2HD2 LEU 71 3.857 2.239 -7.115 542 3HD2 LEU 71 3HD2 LEU 71 3.291 3.721 -7.887 543 H SER 72 H SER 72 6.872 -0.955 -6.833 544 HA SER 72 HA SER 72 7.493 -3.251 -8.419 545 1HB SER 72 2HB SER 72 7.459 -4.070 -5.750 546 2HB SER 72 3HB SER 72 8.862 -3.507 -6.657 547 HG SER 72 HG SER 72 8.859 -1.763 -5.497 548 H THR 73 H THR 73 4.743 -2.179 -6.614 549 HA THR 73 HA THR 73 3.311 -4.611 -7.399 550 HB THR 73 HB THR 73 2.702 -3.478 -4.704 551 HG1 THR 73 HG1 THR 73 4.411 -4.401 -3.786 552 1HG2 THR 73 1HG2 THR 73 1.588 -5.425 -4.387 553 2HG2 THR 73 2HG2 THR 73 2.799 -6.380 -5.242 554 3HG2 THR 73 3HG2 THR 73 1.594 -5.467 -6.150 555 H GLY 74 H GLY 74 1.263 -4.262 -8.094 556 1HA GLY 74 2HA GLY 74 -0.809 -3.110 -8.176 557 2HA GLY 74 3HA GLY 74 -0.016 -1.691 -7.507 558 H MET 75 H MET 75 1.572 -3.345 -10.078 559 HA MET 75 HA MET 75 0.638 -1.296 -11.978 560 1HB MET 75 2HB MET 75 3.287 -1.754 -10.997 561 2HB MET 75 3HB MET 75 3.247 -2.132 -12.714 562 1HG MET 75 2HG MET 75 2.071 0.418 -11.692 563 2HG MET 75 3HG MET 75 3.807 0.267 -11.955 564 1HE MET 75 1HE MET 75 2.946 2.589 -13.966 565 2HE MET 75 2HE MET 75 1.460 2.162 -14.814 566 3HE MET 75 3HE MET 75 1.511 2.125 -13.051 567 HA PRO 76 HA PRO 76 -0.294 -5.372 -13.849 568 1HB PRO 76 2HB PRO 76 -2.473 -4.481 -15.202 569 2HB PRO 76 3HB PRO 76 -2.534 -4.988 -13.510 570 1HG PRO 76 2HG PRO 76 -2.368 -2.227 -14.656 571 2HG PRO 76 3HG PRO 76 -3.364 -2.824 -13.316 572 1HD PRO 76 2HD PRO 76 -1.062 -1.454 -12.922 573 2HD PRO 76 3HD PRO 76 -1.623 -2.718 -11.809 574 H ARG 77 H ARG 77 0.983 -5.867 -15.513 575 HA ARG 77 HA ARG 77 0.788 -4.297 -17.968 576 1HB ARG 77 2HB ARG 77 3.125 -4.401 -16.225 577 2HB ARG 77 3HB ARG 77 3.487 -4.916 -17.867 578 1HG ARG 77 2HG ARG 77 2.277 -2.763 -18.584 579 2HG ARG 77 3HG ARG 77 2.489 -2.266 -16.904 580 1HD ARG 77 2HD ARG 77 4.554 -1.614 -17.393 581 2HD ARG 77 3HD ARG 77 4.967 -3.289 -17.759 582 HE ARG 77 HE ARG 77 3.817 -2.449 -20.046 583 1HH1 ARG 77 1HH1 ARG 77 6.342 -1.130 -18.046 584 2HH1 ARG 77 2HH1 ARG 77 7.168 -0.369 -19.365 585 1HH2 ARG 77 1HH2 ARG 77 4.895 -1.451 -21.791 586 2HH2 ARG 77 2HH2 ARG 77 6.344 -0.551 -21.494 587 H ARG 78 H ARG 78 2.254 -5.466 -19.705 588 HA ARG 78 HA ARG 78 1.302 -8.207 -19.771 589 1HB ARG 78 2HB ARG 78 2.074 -8.182 -22.109 590 2HB ARG 78 3HB ARG 78 1.006 -6.831 -21.756 591 1HG ARG 78 2HG ARG 78 3.322 -5.622 -21.286 592 2HG ARG 78 3HG ARG 78 3.890 -6.851 -22.418 593 1HD ARG 78 2HD ARG 78 3.327 -5.187 -23.883 594 2HD ARG 78 3HD ARG 78 1.797 -6.059 -23.804 595 HE ARG 78 HE ARG 78 1.899 -4.019 -21.839 596 1HH1 ARG 78 1HH1 ARG 78 1.474 -4.537 -25.255 597 2HH1 ARG 78 2HH1 ARG 78 0.520 -3.109 -25.485 598 1HH2 ARG 78 1HH2 ARG 78 0.645 -2.136 -22.129 599 2HH2 ARG 78 2HH2 ARG 78 0.050 -1.743 -23.707 600 H SER 79 H SER 79 4.396 -6.481 -19.917 601 HA SER 79 HA SER 79 5.735 -9.003 -19.196 602 1HB SER 79 2HB SER 79 6.873 -6.871 -21.020 603 2HB SER 79 3HB SER 79 7.638 -8.399 -20.585 604 HG SER 79 HG SER 79 6.526 -9.332 -22.094 605 H ARG 80 H ARG 80 8.216 -8.221 -18.655 606 HA ARG 80 HA ARG 80 9.558 -7.248 -17.098 607 1HB ARG 80 2HB ARG 80 7.620 -4.936 -17.087 608 2HB ARG 80 3HB ARG 80 9.322 -4.912 -16.648 609 1HG ARG 80 2HG ARG 80 9.436 -5.814 -19.212 610 2HG ARG 80 3HG ARG 80 8.051 -4.723 -19.274 611 1HD ARG 80 2HD ARG 80 10.095 -3.527 -19.806 612 2HD ARG 80 3HD ARG 80 9.420 -2.945 -18.284 613 HE ARG 80 HE ARG 80 11.261 -4.934 -17.667 614 1HH1 ARG 80 1HH1 ARG 80 11.236 -1.772 -19.122 615 2HH1 ARG 80 2HH1 ARG 80 12.846 -1.382 -18.614 616 1HH2 ARG 80 1HH2 ARG 80 13.381 -4.433 -16.992 617 2HH2 ARG 80 2HH2 ARG 80 14.065 -2.897 -17.404 618 H PHE 81 H PHE 81 6.876 -8.658 -16.452 619 HA PHE 81 HA PHE 81 7.012 -8.109 -13.574 620 1HB PHE 81 2HB PHE 81 4.670 -7.805 -15.340 621 2HB PHE 81 3HB PHE 81 4.372 -8.712 -13.861 622 HD1 PHE 81 HD1 PHE 81 5.411 -5.468 -15.236 623 HD2 PHE 81 HD2 PHE 81 4.359 -7.642 -11.732 624 HE1 PHE 81 HE1 PHE 81 5.220 -3.356 -13.987 625 HE2 PHE 81 HE2 PHE 81 4.165 -5.534 -10.478 626 HZ PHE 81 HZ PHE 81 4.595 -3.388 -11.605 627 H ASP 82 H ASP 82 7.457 -9.916 -12.519 628 HA ASP 82 HA ASP 82 7.031 -12.488 -13.817 629 1HB ASP 82 2HB ASP 82 9.097 -11.526 -12.307 630 2HB ASP 82 3HB ASP 82 8.199 -12.464 -11.116 631 H ARG 83 H ARG 83 6.135 -10.811 -10.826 632 HA ARG 83 HA ARG 83 4.202 -12.944 -10.248 633 1HB ARG 83 2HB ARG 83 5.801 -11.114 -8.604 634 2HB ARG 83 3HB ARG 83 4.123 -11.244 -8.092 635 1HG ARG 83 2HG ARG 83 4.355 -13.671 -7.938 636 2HG ARG 83 3HG ARG 83 6.039 -13.539 -8.450 637 1HD ARG 83 2HD ARG 83 5.338 -11.822 -6.187 638 2HD ARG 83 3HD ARG 83 5.166 -13.545 -5.859 639 HE ARG 83 HE ARG 83 7.613 -12.090 -6.249 640 1HH1 ARG 83 1HH1 ARG 83 6.079 -15.211 -6.421 641 2HH1 ARG 83 2HH1 ARG 83 7.559 -16.093 -6.238 642 1HH2 ARG 83 1HH2 ARG 83 9.568 -13.241 -6.006 643 2HH2 ARG 83 2HH2 ARG 83 9.542 -14.972 -6.001 644 HA PRO 84 HA PRO 84 0.699 -10.477 -11.186 645 1HB PRO 84 2HB PRO 84 -1.029 -11.127 -9.195 646 2HB PRO 84 3HB PRO 84 -0.608 -12.239 -10.504 647 1HG PRO 84 2HG PRO 84 0.455 -12.116 -7.708 648 2HG PRO 84 3HG PRO 84 -0.013 -13.533 -8.666 649 1HD PRO 84 2HD PRO 84 2.567 -12.774 -8.353 650 2HD PRO 84 3HD PRO 84 1.976 -13.559 -9.831 651 HA PRO 85 HA PRO 85 1.119 -6.707 -8.897 652 1HB PRO 85 2HB PRO 85 -0.932 -5.355 -10.053 653 2HB PRO 85 3HB PRO 85 0.611 -5.642 -10.868 654 1HG PRO 85 2HG PRO 85 -1.981 -7.113 -11.147 655 2HG PRO 85 3HG PRO 85 -0.846 -6.599 -12.408 656 1HD PRO 85 2HD PRO 85 -0.936 -9.140 -11.476 657 2HD PRO 85 3HD PRO 85 0.568 -8.381 -12.037 658 H ALA 86 H ALA 86 0.026 -5.476 -7.304 659 HA ALA 86 HA ALA 86 -1.984 -6.983 -5.863 660 1HB ALA 86 1HB ALA 86 -0.401 -4.511 -5.224 661 2HB ALA 86 2HB ALA 86 -1.697 -5.099 -4.182 662 3HB ALA 86 3HB ALA 86 -0.286 -6.111 -4.490 663 H ARG 87 H ARG 87 -3.199 -6.306 -8.112 664 HA ARG 87 HA ARG 87 -4.729 -3.856 -7.585 665 1HB ARG 87 2HB ARG 87 -4.673 -5.539 -10.095 666 2HB ARG 87 3HB ARG 87 -5.440 -3.969 -9.903 667 1HG ARG 87 2HG ARG 87 -2.502 -4.297 -9.449 668 2HG ARG 87 3HG ARG 87 -3.155 -4.109 -11.078 669 1HD ARG 87 2HD ARG 87 -3.531 -2.198 -8.774 670 2HD ARG 87 3HD ARG 87 -2.461 -1.961 -10.156 671 HE ARG 87 HE ARG 87 -5.038 -2.384 -11.132 672 1HH1 ARG 87 1HH1 ARG 87 -3.295 -0.031 -9.251 673 2HH1 ARG 87 2HH1 ARG 87 -4.283 1.299 -9.756 674 1HH2 ARG 87 1HH2 ARG 87 -6.347 -0.642 -11.806 675 2HH2 ARG 87 2HH2 ARG 87 -6.020 0.950 -11.209 676 H ARG 88 H ARG 88 -5.348 -7.147 -8.826 677 HA ARG 88 HA ARG 88 -7.742 -7.268 -7.143 678 1HB ARG 88 2HB ARG 88 -9.135 -8.045 -8.940 679 2HB ARG 88 3HB ARG 88 -8.408 -6.520 -9.428 680 1HG ARG 88 2HG ARG 88 -7.639 -7.479 -11.263 681 2HG ARG 88 3HG ARG 88 -6.686 -8.595 -10.282 682 1HD ARG 88 2HD ARG 88 -8.650 -10.076 -10.111 683 2HD ARG 88 3HD ARG 88 -9.548 -8.974 -11.155 684 HE ARG 88 HE ARG 88 -7.145 -9.784 -12.408 685 1HH1 ARG 88 1HH1 ARG 88 -10.319 -10.937 -11.563 686 2HH1 ARG 88 2HH1 ARG 88 -10.393 -12.080 -12.863 687 1HH2 ARG 88 1HH2 ARG 88 -7.230 -11.285 -14.124 688 2HH2 ARG 88 2HH2 ARG 88 -8.635 -12.278 -14.318 689 H LYS 89 H LYS 89 -8.748 -9.667 -7.824 690 HA LYS 89 HA LYS 89 -8.514 -11.910 -7.527 691 1HB LYS 89 2HB LYS 89 -6.983 -11.546 -9.550 692 2HB LYS 89 3HB LYS 89 -5.647 -11.631 -8.409 693 1HG LYS 89 2HG LYS 89 -5.875 -13.862 -8.092 694 2HG LYS 89 3HG LYS 89 -7.625 -13.829 -8.321 695 1HD LYS 89 2HD LYS 89 -7.468 -14.125 -10.560 696 2HD LYS 89 3HD LYS 89 -5.994 -13.163 -10.691 697 1HE LYS 89 2HE LYS 89 -5.240 -15.397 -9.222 698 2HE LYS 89 3HE LYS 89 -6.323 -16.032 -10.459 699 1HZ LYS 89 1HZ LYS 89 -4.524 -15.994 -11.753 700 2HZ LYS 89 2HZ LYS 89 -3.668 -14.959 -10.725 701 3HZ LYS 89 3HZ LYS 89 -4.761 -14.322 -11.849 702 H LEU 90 H LEU 90 -7.459 -13.547 -6.169 703 HA LEU 90 HA LEU 90 -5.497 -12.666 -4.248 704 1HB LEU 90 2HB LEU 90 -8.140 -12.165 -3.647 705 2HB LEU 90 3HB LEU 90 -7.824 -13.693 -2.828 706 HG LEU 90 HG LEU 90 -5.740 -11.724 -2.341 707 1HD1 LEU 90 1HD1 LEU 90 -7.208 -9.971 -2.350 708 2HD1 LEU 90 2HD1 LEU 90 -7.401 -10.533 -0.690 709 3HD1 LEU 90 3HD1 LEU 90 -8.589 -10.978 -1.915 710 1HD2 LEU 90 1HD2 LEU 90 -7.432 -13.647 -0.835 711 2HD2 LEU 90 2HD2 LEU 90 -6.667 -12.333 0.060 712 3HD2 LEU 90 3HD2 LEU 90 -5.678 -13.463 -0.867 713 H LEU 91 H LEU 91 -5.834 -14.781 -6.246 714 HA LEU 91 HA LEU 91 -5.088 -16.935 -6.432 715 1HB LEU 91 2HB LEU 91 -3.993 -16.250 -4.119 716 2HB LEU 91 3HB LEU 91 -5.173 -17.401 -3.497 717 HG LEU 91 HG LEU 91 -3.411 -18.274 -5.729 718 1HD1 LEU 91 1HD1 LEU 91 -1.554 -18.709 -4.372 719 2HD1 LEU 91 2HD1 LEU 91 -2.441 -18.354 -2.890 720 3HD1 LEU 91 3HD1 LEU 91 -2.006 -17.047 -3.991 721 1HD2 LEU 91 1HD2 LEU 91 -3.586 -20.160 -3.670 722 2HD2 LEU 91 2HD2 LEU 91 -4.446 -20.169 -5.210 723 3HD2 LEU 91 3HD2 LEU 91 -5.189 -19.433 -3.789 724 H GLU 92 H GLU 92 -7.905 -15.909 -5.021 725 HA GLU 92 HA GLU 92 -9.046 -18.589 -4.749 726 1HB GLU 92 2HB GLU 92 -11.023 -17.409 -3.832 727 2HB GLU 92 3HB GLU 92 -9.548 -17.068 -2.939 728 1HG GLU 92 2HG GLU 92 -9.334 -14.934 -4.126 729 2HG GLU 92 3HG GLU 92 -10.837 -15.274 -4.982 730 H VAL 93 H VAL 93 -9.400 -15.620 -6.621 731 HA VAL 93 HA VAL 93 -11.469 -16.848 -8.278 732 HB VAL 93 HB VAL 93 -10.316 -14.071 -8.537 733 1HG1 VAL 93 1HG1 VAL 93 -12.832 -13.887 -9.430 734 2HG1 VAL 93 2HG1 VAL 93 -11.472 -14.307 -10.473 735 3HG1 VAL 93 3HG1 VAL 93 -12.513 -15.575 -9.826 736 1HG2 VAL 93 1HG2 VAL 93 -12.390 -15.168 -6.706 737 2HG2 VAL 93 2HG2 VAL 93 -11.196 -13.899 -6.430 738 3HG2 VAL 93 3HG2 VAL 93 -12.636 -13.560 -7.390 739 H LEU 94 H LEU 94 -11.276 -17.032 -10.546 740 HA LEU 94 HA LEU 94 -8.722 -16.559 -11.811 741 1HB LEU 94 2HB LEU 94 -8.202 -18.785 -12.370 742 2HB LEU 94 3HB LEU 94 -8.529 -18.778 -10.638 743 HG LEU 94 HG LEU 94 -9.542 -20.730 -11.411 744 1HD1 LEU 94 1HD1 LEU 94 -11.815 -18.769 -11.552 745 2HD1 LEU 94 2HD1 LEU 94 -11.010 -19.196 -10.043 746 3HD1 LEU 94 3HD1 LEU 94 -11.843 -20.436 -10.979 747 1HD2 LEU 94 1HD2 LEU 94 -9.450 -19.641 -13.872 748 2HD2 LEU 94 2HD2 LEU 94 -11.179 -19.524 -13.545 749 3HD2 LEU 94 3HD2 LEU 94 -10.373 -21.091 -13.476 750 H PHE 95 H PHE 95 -8.796 -17.326 -14.153 751 HA PHE 95 HA PHE 95 -11.194 -17.929 -15.454 752 1HB PHE 95 2HB PHE 95 -10.999 -15.191 -14.635 753 2HB PHE 95 3HB PHE 95 -10.927 -15.266 -16.393 754 HD1 PHE 95 HD1 PHE 95 -12.690 -17.334 -17.179 755 HD2 PHE 95 HD2 PHE 95 -13.099 -14.601 -13.942 756 HE1 PHE 95 HE1 PHE 95 -15.135 -17.598 -17.270 757 HE2 PHE 95 HE2 PHE 95 -15.544 -14.862 -14.026 758 HZ PHE 95 HZ PHE 95 -16.565 -16.362 -15.691 759 H ASN 96 H ASN 96 -9.833 -19.222 -16.665 760 HA ASN 96 HA ASN 96 -8.151 -17.783 -18.606 761 1HB ASN 96 2HB ASN 96 -7.518 -20.410 -17.244 762 2HB ASN 96 3HB ASN 96 -6.590 -19.721 -18.573 763 1HD2 ASN 96 1HD2 ASN 96 -7.177 -19.709 -15.215 764 2HD2 ASN 96 2HD2 ASN 96 -6.031 -18.490 -14.785 765 H GLY 97 H GLY 97 -10.936 -18.786 -18.722 766 1HA GLY 97 2HA GLY 97 -12.260 -19.693 -20.373 767 2HA GLY 97 3HA GLY 97 -10.802 -19.957 -21.318 768 HA PRO 98 HA PRO 98 -11.305 -23.846 -18.477 769 1HB PRO 98 2HB PRO 98 -13.658 -24.065 -17.141 770 2HB PRO 98 3HB PRO 98 -12.235 -23.272 -16.456 771 1HG PRO 98 2HG PRO 98 -14.639 -22.054 -17.759 772 2HG PRO 98 3HG PRO 98 -13.780 -21.542 -16.294 773 1HD PRO 98 2HD PRO 98 -13.415 -20.339 -18.692 774 2HD PRO 98 3HD PRO 98 -12.119 -20.480 -17.488 775 H LEU 99 H LEU 99 -13.965 -22.449 -20.243 776 HA LEU 99 HA LEU 99 -15.260 -24.918 -20.872 777 1HB LEU 99 2HB LEU 99 -15.455 -22.123 -21.943 778 2HB LEU 99 3HB LEU 99 -16.335 -23.456 -22.687 779 HG LEU 99 HG LEU 99 -16.675 -23.013 -19.765 780 1HD1 LEU 99 1HD1 LEU 99 -18.689 -21.505 -20.754 781 2HD1 LEU 99 2HD1 LEU 99 -17.380 -21.068 -21.852 782 3HD1 LEU 99 3HD1 LEU 99 -17.181 -20.852 -20.114 783 1HD2 LEU 99 1HD2 LEU 99 -18.571 -23.781 -21.982 784 2HD2 LEU 99 2HD2 LEU 99 -18.921 -23.792 -20.253 785 3HD2 LEU 99 3HD2 LEU 99 -17.728 -24.908 -20.919 786 H GLU 100 H GLU 100 -15.406 -25.872 -22.995 787 HA GLU 100 HA GLU 100 -12.821 -25.894 -24.328 788 1HB GLU 100 2HB GLU 100 -13.627 -27.886 -25.464 789 2HB GLU 100 3HB GLU 100 -13.904 -28.025 -23.733 790 1HG GLU 100 2HG GLU 100 -16.232 -27.540 -24.002 791 2HG GLU 100 3HG GLU 100 -16.004 -27.174 -25.711 792 H HIS 101 H HIS 101 -15.287 -23.909 -24.581 793 HA HIS 101 HA HIS 101 -16.141 -22.548 -26.192 794 1HB HIS 101 2HB HIS 101 -13.911 -21.949 -26.742 795 2HB HIS 101 3HB HIS 101 -13.617 -23.487 -27.548 796 HD1 HIS 101 HD1 HIS 101 -13.205 -22.846 -29.912 797 HD2 HIS 101 HD2 HIS 101 -16.535 -20.929 -28.331 798 HE1 HIS 101 HE1 HIS 101 -14.244 -21.605 -31.837 Start of MODEL 9 1 1H MET 1 H MET 1 2.409 -2.449 -1.367 2 HA MET 1 HA MET 1 2.206 -0.860 -3.408 3 1HB MET 1 2HB MET 1 -0.009 -0.086 -2.847 4 2HB MET 1 3HB MET 1 0.533 0.457 -1.265 5 1HG MET 1 2HG MET 1 2.065 1.668 -3.397 6 2HG MET 1 3HG MET 1 0.338 1.974 -3.569 7 1HE MET 1 1HE MET 1 -1.115 2.540 -1.561 8 2HE MET 1 2HE MET 1 -0.326 2.042 -0.065 9 3HE MET 1 3HE MET 1 -0.658 3.749 -0.361 10 H LYS 2 H LYS 2 4.403 -0.805 -3.166 11 HA LYS 2 HA LYS 2 5.430 0.967 -1.046 12 1HB LYS 2 2HB LYS 2 6.943 -1.330 -2.291 13 2HB LYS 2 3HB LYS 2 7.433 -0.353 -0.913 14 1HG LYS 2 2HG LYS 2 5.001 -2.123 -0.923 15 2HG LYS 2 3HG LYS 2 6.590 -2.632 -0.346 16 1HD LYS 2 2HD LYS 2 6.480 -1.325 1.522 17 2HD LYS 2 3HD LYS 2 5.474 -0.104 0.741 18 1HE LYS 2 2HE LYS 2 4.014 -2.545 0.855 19 2HE LYS 2 3HE LYS 2 4.679 -2.219 2.454 20 1HZ LYS 2 1HZ LYS 2 3.329 -0.066 0.973 21 2HZ LYS 2 2HZ LYS 2 3.505 -0.268 2.643 22 3HZ LYS 2 3HZ LYS 2 2.403 -1.225 1.787 23 H VAL 3 H VAL 3 7.052 2.419 -1.598 24 HA VAL 3 HA VAL 3 7.396 2.831 -4.492 25 HB VAL 3 HB VAL 3 8.041 4.959 -2.496 26 1HG1 VAL 3 1HG1 VAL 3 7.227 4.800 -5.367 27 2HG1 VAL 3 2HG1 VAL 3 6.963 6.288 -4.457 28 3HG1 VAL 3 3HG1 VAL 3 8.594 5.638 -4.634 29 1HG2 VAL 3 1HG2 VAL 3 5.258 4.255 -3.423 30 2HG2 VAL 3 2HG2 VAL 3 5.864 4.201 -1.767 31 3HG2 VAL 3 3HG2 VAL 3 5.701 5.749 -2.596 32 H TYR 4 H TYR 4 9.367 2.738 -5.376 33 HA TYR 4 HA TYR 4 11.682 2.563 -3.560 34 1HB TYR 4 2HB TYR 4 11.856 0.489 -4.441 35 2HB TYR 4 3HB TYR 4 10.826 0.879 -5.814 36 HD1 TYR 4 HD1 TYR 4 11.759 1.211 -7.931 37 HD2 TYR 4 HD2 TYR 4 14.280 1.325 -4.506 38 HE1 TYR 4 HE1 TYR 4 13.734 1.295 -9.395 39 HE2 TYR 4 HE2 TYR 4 16.262 1.410 -5.960 40 HH TYR 4 HH TYR 4 16.937 0.898 -8.183 41 H VAL 5 H VAL 5 12.829 4.373 -3.667 42 HA VAL 5 HA VAL 5 13.237 5.620 -6.308 43 HB VAL 5 HB VAL 5 13.678 7.744 -4.926 44 1HG1 VAL 5 1HG1 VAL 5 10.870 6.650 -5.068 45 2HG1 VAL 5 2HG1 VAL 5 11.324 8.352 -4.964 46 3HG1 VAL 5 3HG1 VAL 5 11.740 7.413 -6.398 47 1HG2 VAL 5 1HG2 VAL 5 12.424 7.850 -2.800 48 2HG2 VAL 5 2HG2 VAL 5 12.144 6.112 -2.905 49 3HG2 VAL 5 3HG2 VAL 5 13.786 6.731 -2.733 50 H GLY 6 H GLY 6 15.205 4.908 -6.916 51 1HA GLY 6 2HA GLY 6 17.413 5.250 -4.980 52 2HA GLY 6 3HA GLY 6 17.368 3.955 -6.168 53 H ASN 7 H ASN 7 19.483 4.746 -6.808 54 HA ASN 7 HA ASN 7 20.864 5.817 -8.263 55 1HB ASN 7 2HB ASN 7 18.175 6.185 -9.444 56 2HB ASN 7 3HB ASN 7 19.421 7.287 -10.021 57 1HD2 ASN 7 1HD2 ASN 7 18.890 3.844 -9.376 58 2HD2 ASN 7 2HD2 ASN 7 19.777 3.275 -10.745 59 H LEU 8 H LEU 8 21.357 7.073 -6.257 60 HA LEU 8 HA LEU 8 20.581 9.899 -6.553 61 1HB LEU 8 2HB LEU 8 21.791 8.841 -4.045 62 2HB LEU 8 3HB LEU 8 20.676 10.187 -4.274 63 HG LEU 8 HG LEU 8 19.906 7.279 -4.492 64 1HD1 LEU 8 1HD1 LEU 8 20.627 8.483 -2.186 65 2HD1 LEU 8 2HD1 LEU 8 19.408 7.214 -2.301 66 3HD1 LEU 8 3HD1 LEU 8 18.916 8.907 -2.253 67 1HD2 LEU 8 1HD2 LEU 8 17.866 7.960 -5.097 68 2HD2 LEU 8 2HD2 LEU 8 18.638 9.495 -5.496 69 3HD2 LEU 8 3HD2 LEU 8 17.861 9.279 -3.927 70 H GLY 9 H GLY 9 22.521 11.045 -4.950 71 1HA GLY 9 2HA GLY 9 24.848 11.390 -4.752 72 2HA GLY 9 3HA GLY 9 25.108 10.214 -6.032 73 H THR 10 H THR 10 22.748 12.740 -6.399 74 HA THR 10 HA THR 10 24.583 14.416 -7.919 75 HB THR 10 HB THR 10 23.233 14.426 -9.933 76 HG1 THR 10 HG1 THR 10 21.268 13.645 -9.921 77 1HG2 THR 10 1HG2 THR 10 25.012 12.757 -9.804 78 2HG2 THR 10 2HG2 THR 10 23.645 12.140 -10.732 79 3HG2 THR 10 3HG2 THR 10 23.895 11.608 -9.069 80 H GLY 11 H GLY 11 23.081 14.753 -5.463 81 1HA GLY 11 2HA GLY 11 22.133 16.676 -4.539 82 2HA GLY 11 3HA GLY 11 21.761 17.243 -6.161 83 H ALA 12 H ALA 12 20.840 14.024 -5.387 84 HA ALA 12 HA ALA 12 18.076 14.898 -4.875 85 1HB ALA 12 1HB ALA 12 18.722 13.993 -7.272 86 2HB ALA 12 2HB ALA 12 18.519 12.433 -6.474 87 3HB ALA 12 3HB ALA 12 17.183 13.584 -6.513 88 H GLY 13 H GLY 13 17.781 14.332 -2.799 89 1HA GLY 13 2HA GLY 13 18.170 11.500 -2.116 90 2HA GLY 13 3HA GLY 13 18.863 12.729 -1.067 91 H LYS 14 H LYS 14 17.697 12.949 0.711 92 HA LYS 14 HA LYS 14 15.000 12.122 0.941 93 1HB LYS 14 2HB LYS 14 16.846 12.385 2.762 94 2HB LYS 14 3HB LYS 14 16.281 14.048 2.853 95 1HG LYS 14 2HG LYS 14 14.283 13.468 3.784 96 2HG LYS 14 3HG LYS 14 14.263 11.876 3.020 97 1HD LYS 14 2HD LYS 14 15.040 10.980 4.899 98 2HD LYS 14 3HD LYS 14 16.501 11.959 4.752 99 1HE LYS 14 2HE LYS 14 13.931 12.859 6.050 100 2HE LYS 14 3HE LYS 14 15.347 12.265 6.915 101 1HZ LYS 14 1HZ LYS 14 16.247 14.259 5.225 102 2HZ LYS 14 2HZ LYS 14 16.103 14.331 6.908 103 3HZ LYS 14 3HZ LYS 14 14.831 14.863 5.928 104 H GLY 15 H GLY 15 16.472 15.372 0.946 105 1HA GLY 15 2HA GLY 15 14.084 16.826 1.097 106 2HA GLY 15 3HA GLY 15 15.594 17.428 0.428 107 H GLU 16 H GLU 16 15.857 15.636 -1.727 108 HA GLU 16 HA GLU 16 14.256 16.931 -3.661 109 1HB GLU 16 2HB GLU 16 16.571 15.528 -3.756 110 2HB GLU 16 3HB GLU 16 15.453 14.330 -4.393 111 1HG GLU 16 2HG GLU 16 16.507 15.651 -6.159 112 2HG GLU 16 3HG GLU 16 14.756 15.847 -6.135 113 H LEU 17 H LEU 17 14.273 13.514 -2.629 114 HA LEU 17 HA LEU 17 11.974 12.768 -4.051 115 1HB LEU 17 2HB LEU 17 12.258 10.733 -3.121 116 2HB LEU 17 3HB LEU 17 13.828 11.413 -2.699 117 HG LEU 17 HG LEU 17 12.548 12.097 -0.490 118 1HD1 LEU 17 1HD1 LEU 17 10.784 10.135 -1.800 119 2HD1 LEU 17 2HD1 LEU 17 10.417 11.376 -0.602 120 3HD1 LEU 17 3HD1 LEU 17 11.129 9.844 -0.095 121 1HD2 LEU 17 1HD2 LEU 17 13.450 9.263 -0.986 122 2HD2 LEU 17 2HD2 LEU 17 13.423 10.119 0.556 123 3HD2 LEU 17 3HD2 LEU 17 14.536 10.627 -0.715 124 H GLU 18 H GLU 18 12.387 14.348 -0.981 125 HA GLU 18 HA GLU 18 9.774 13.854 0.031 126 1HB GLU 18 2HB GLU 18 11.589 14.481 1.522 127 2HB GLU 18 3HB GLU 18 11.774 16.021 0.695 128 1HG GLU 18 2HG GLU 18 10.605 16.465 2.690 129 2HG GLU 18 3HG GLU 18 9.422 16.560 1.387 130 H ARG 19 H ARG 19 11.247 16.633 -1.627 131 HA ARG 19 HA ARG 19 8.955 18.257 -1.647 132 1HB ARG 19 2HB ARG 19 11.233 19.087 -2.109 133 2HB ARG 19 3HB ARG 19 11.236 18.205 -3.631 134 1HG ARG 19 2HG ARG 19 9.262 19.567 -4.332 135 2HG ARG 19 3HG ARG 19 9.491 20.533 -2.873 136 1HD ARG 19 2HD ARG 19 11.375 20.210 -5.197 137 2HD ARG 19 3HD ARG 19 10.572 21.682 -4.650 138 HE ARG 19 HE ARG 19 12.986 20.530 -3.600 139 1HH1 ARG 19 1HH1 ARG 19 10.262 22.587 -2.916 140 2HH1 ARG 19 2HH1 ARG 19 11.074 23.464 -1.662 141 1HH2 ARG 19 1HH2 ARG 19 14.066 21.678 -1.951 142 2HH2 ARG 19 2HH2 ARG 19 13.238 22.948 -1.115 143 H ALA 20 H ALA 20 10.174 15.891 -3.982 144 HA ALA 20 HA ALA 20 8.213 16.362 -5.964 145 1HB ALA 20 1HB ALA 20 10.490 15.027 -6.011 146 2HB ALA 20 2HB ALA 20 9.422 13.662 -5.678 147 3HB ALA 20 3HB ALA 20 9.173 14.644 -7.121 148 H PHE 21 H PHE 21 8.515 13.594 -3.727 149 HA PHE 21 HA PHE 21 6.078 12.410 -4.232 150 1HB PHE 21 2HB PHE 21 7.851 12.487 -1.819 151 2HB PHE 21 3HB PHE 21 6.279 11.702 -1.713 152 HD1 PHE 21 HD1 PHE 21 8.948 11.801 -4.321 153 HD2 PHE 21 HD2 PHE 21 6.495 9.424 -1.782 154 HE1 PHE 21 HE1 PHE 21 9.907 9.762 -5.310 155 HE2 PHE 21 HE2 PHE 21 7.450 7.381 -2.766 156 HZ PHE 21 HZ PHE 21 9.159 7.548 -4.531 157 H SER 22 H SER 22 6.812 14.835 -1.732 158 HA SER 22 HA SER 22 4.234 15.044 -0.673 159 1HB SER 22 2HB SER 22 6.069 16.001 0.536 160 2HB SER 22 3HB SER 22 6.489 17.053 -0.815 161 HG SER 22 HG SER 22 4.841 18.351 -0.347 162 H TYR 23 H TYR 23 5.789 16.839 -3.302 163 HA TYR 23 HA TYR 23 3.801 18.705 -3.811 164 1HB TYR 23 2HB TYR 23 6.032 17.522 -5.330 165 2HB TYR 23 3HB TYR 23 4.738 18.189 -6.319 166 HD1 TYR 23 HD1 TYR 23 5.748 20.105 -7.223 167 HD2 TYR 23 HD2 TYR 23 5.929 19.428 -3.027 168 HE1 TYR 23 HE1 TYR 23 6.666 22.365 -6.904 169 HE2 TYR 23 HE2 TYR 23 6.846 21.686 -2.696 170 HH TYR 23 HH TYR 23 8.013 23.588 -5.248 171 H TYR 24 H TYR 24 4.144 15.405 -5.059 172 HA TYR 24 HA TYR 24 1.808 15.527 -6.689 173 1HB TYR 24 2HB TYR 24 3.640 13.342 -5.771 174 2HB TYR 24 3HB TYR 24 2.109 12.926 -6.532 175 HD1 TYR 24 HD1 TYR 24 2.124 12.584 -8.810 176 HD2 TYR 24 HD2 TYR 24 5.017 15.205 -7.118 177 HE1 TYR 24 HE1 TYR 24 3.141 12.886 -11.030 178 HE2 TYR 24 HE2 TYR 24 6.041 15.515 -9.333 179 HH TYR 24 HH TYR 24 6.180 14.363 -11.473 180 H GLY 25 H GLY 25 2.466 14.604 -3.378 181 1HA GLY 25 2HA GLY 25 -0.069 14.987 -2.399 182 2HA GLY 25 3HA GLY 25 -0.052 13.313 -2.936 183 HA PRO 26 HA PRO 26 1.850 13.940 1.396 184 1HB PRO 26 2HB PRO 26 -0.252 13.109 2.899 185 2HB PRO 26 3HB PRO 26 0.003 14.801 2.457 186 1HG PRO 26 2HG PRO 26 -1.817 12.774 1.217 187 2HG PRO 26 3HG PRO 26 -2.133 14.476 1.599 188 1HD PRO 26 2HD PRO 26 -1.529 13.632 -0.902 189 2HD PRO 26 3HD PRO 26 -1.056 15.231 -0.293 190 H LEU 27 H LEU 27 3.179 12.238 1.523 191 HA LEU 27 HA LEU 27 2.229 9.554 0.978 192 1HB LEU 27 2HB LEU 27 4.515 8.889 1.076 193 2HB LEU 27 3HB LEU 27 4.415 10.386 0.151 194 HG LEU 27 HG LEU 27 5.054 10.598 3.044 195 1HD1 LEU 27 1HD1 LEU 27 7.409 10.206 1.362 196 2HD1 LEU 27 2HD1 LEU 27 6.443 8.748 1.590 197 3HD1 LEU 27 3HD1 LEU 27 7.063 9.622 2.990 198 1HD2 LEU 27 1HD2 LEU 27 5.006 12.669 2.059 199 2HD2 LEU 27 2HD2 LEU 27 5.605 12.071 0.512 200 3HD2 LEU 27 3HD2 LEU 27 6.711 12.259 1.873 201 H ARG 28 H ARG 28 3.412 7.858 2.559 202 HA ARG 28 HA ARG 28 2.216 8.375 5.166 203 1HB ARG 28 2HB ARG 28 2.352 6.127 3.540 204 2HB ARG 28 3HB ARG 28 3.493 5.779 4.832 205 1HG ARG 28 2HG ARG 28 0.780 6.796 5.525 206 2HG ARG 28 3HG ARG 28 0.983 5.107 5.054 207 1HD ARG 28 2HD ARG 28 2.421 4.665 6.858 208 2HD ARG 28 3HD ARG 28 2.697 6.379 7.164 209 HE ARG 28 HE ARG 28 0.045 6.103 7.593 210 1HH1 ARG 28 1HH1 ARG 28 2.842 4.401 8.775 211 2HH1 ARG 28 2HH1 ARG 28 2.116 3.998 10.296 212 1HH2 ARG 28 1HH2 ARG 28 -0.922 5.580 9.592 213 2HH2 ARG 28 2HH2 ARG 28 -0.026 4.668 10.759 214 H THR 29 H THR 29 5.325 7.230 3.859 215 HA THR 29 HA THR 29 6.782 8.674 5.873 216 HB THR 29 HB THR 29 8.011 6.392 6.457 217 HG1 THR 29 HG1 THR 29 6.668 5.043 5.245 218 1HG2 THR 29 1HG2 THR 29 6.598 8.123 7.878 219 2HG2 THR 29 2HG2 THR 29 7.082 6.564 8.544 220 3HG2 THR 29 3HG2 THR 29 5.448 6.788 7.918 221 H VAL 30 H VAL 30 9.163 8.357 5.625 222 HA VAL 30 HA VAL 30 9.939 7.357 2.980 223 HB VAL 30 HB VAL 30 9.630 9.687 2.559 224 1HG1 VAL 30 1HG1 VAL 30 9.626 11.056 4.321 225 2HG1 VAL 30 2HG1 VAL 30 10.633 9.962 5.273 226 3HG1 VAL 30 3HG1 VAL 30 11.381 11.103 4.154 227 1HG2 VAL 30 1HG2 VAL 30 11.760 8.519 1.784 228 2HG2 VAL 30 2HG2 VAL 30 11.752 10.283 1.746 229 3HG2 VAL 30 3HG2 VAL 30 12.583 9.433 3.049 230 H TRP 31 H TRP 31 12.023 6.587 2.836 231 HA TRP 31 HA TRP 31 13.877 6.958 5.029 232 1HB TRP 31 2HB TRP 31 12.221 4.962 5.489 233 2HB TRP 31 3HB TRP 31 13.260 4.109 4.351 234 HD1 TRP 31 HD1 TRP 31 13.365 5.774 7.815 235 HE1 TRP 31 HE1 TRP 31 15.390 4.842 9.102 236 HE3 TRP 31 HE3 TRP 31 15.506 3.022 4.076 237 HZ2 TRP 31 HZ2 TRP 31 17.602 3.162 8.598 238 HZ3 TRP 31 HZ3 TRP 31 17.575 1.782 4.560 239 HH2 TRP 31 HH2 TRP 31 18.600 1.853 6.775 240 H ILE 32 H ILE 32 15.845 7.157 4.198 241 HA ILE 32 HA ILE 32 16.360 6.017 1.535 242 HB ILE 32 HB ILE 32 17.716 8.326 2.932 243 1HG1 ILE 32 2HG1 ILE 32 16.698 9.226 0.536 244 2HG1 ILE 32 3HG1 ILE 32 15.462 8.094 1.071 245 1HG2 ILE 32 1HG2 ILE 32 18.595 8.518 0.424 246 2HG2 ILE 32 2HG2 ILE 32 19.449 7.598 1.662 247 3HG2 ILE 32 3HG2 ILE 32 18.403 6.767 0.511 248 1HD1 ILE 32 1HD1 ILE 32 16.516 10.435 2.639 249 2HD1 ILE 32 2HD1 ILE 32 14.960 10.341 1.814 250 3HD1 ILE 32 3HD1 ILE 32 15.291 9.293 3.193 251 H ALA 33 H ALA 33 18.280 4.913 1.119 252 HA ALA 33 HA ALA 33 19.615 3.862 3.519 253 1HB ALA 33 1HB ALA 33 18.394 2.335 1.848 254 2HB ALA 33 2HB ALA 33 19.787 2.610 0.801 255 3HB ALA 33 3HB ALA 33 20.007 1.866 2.385 256 H ARG 34 H ARG 34 21.432 4.946 3.941 257 HA ARG 34 HA ARG 34 22.981 6.212 1.879 258 1HB ARG 34 2HB ARG 34 22.654 7.000 4.309 259 2HB ARG 34 3HB ARG 34 23.876 5.804 4.722 260 1HG ARG 34 2HG ARG 34 25.240 7.017 2.836 261 2HG ARG 34 3HG ARG 34 24.143 8.348 3.207 262 1HD ARG 34 2HD ARG 34 24.867 8.450 5.450 263 2HD ARG 34 3HD ARG 34 25.681 6.890 5.337 264 HE ARG 34 HE ARG 34 26.741 8.856 3.537 265 1HH1 ARG 34 1HH1 ARG 34 26.851 7.617 6.789 266 2HH1 ARG 34 2HH1 ARG 34 28.460 8.184 7.090 267 1HH2 ARG 34 1HH2 ARG 34 28.860 9.607 3.921 268 2HH2 ARG 34 2HH2 ARG 34 29.602 9.317 5.458 269 H ASN 35 H ASN 35 23.031 3.182 3.548 270 HA ASN 35 HA ASN 35 25.650 2.384 3.420 271 1HB ASN 35 2HB ASN 35 23.068 1.072 3.546 272 2HB ASN 35 3HB ASN 35 24.212 0.127 2.598 273 1HD2 ASN 35 1HD2 ASN 35 24.633 -1.486 3.988 274 2HD2 ASN 35 2HD2 ASN 35 25.341 -1.273 5.550 275 HA PRO 36 HA PRO 36 25.069 0.876 -1.133 276 1HB PRO 36 2HB PRO 36 22.809 1.647 -2.423 277 2HB PRO 36 3HB PRO 36 22.916 0.154 -1.482 278 1HG PRO 36 2HG PRO 36 21.762 2.804 -0.704 279 2HG PRO 36 3HG PRO 36 21.120 1.176 -0.416 280 1HD PRO 36 2HD PRO 36 22.426 2.586 1.492 281 2HD PRO 36 3HD PRO 36 22.502 0.815 1.393 282 HA PRO 37 HA PRO 37 26.446 4.534 -3.146 283 1HB PRO 37 2HB PRO 37 26.034 3.994 -5.775 284 2HB PRO 37 3HB PRO 37 27.294 3.206 -4.819 285 1HG PRO 37 2HG PRO 37 24.579 2.197 -5.574 286 2HG PRO 37 3HG PRO 37 26.132 1.339 -5.575 287 1HD PRO 37 2HD PRO 37 24.315 1.061 -3.587 288 2HD PRO 37 3HD PRO 37 26.064 0.956 -3.303 289 H GLY 38 H GLY 38 23.175 3.502 -3.691 290 1HA GLY 38 2HA GLY 38 22.049 6.031 -3.500 291 2HA GLY 38 3HA GLY 38 22.297 5.734 -5.214 292 H PHE 39 H PHE 39 20.687 4.549 -2.312 293 HA PHE 39 HA PHE 39 18.485 3.605 -3.963 294 1HB PHE 39 2HB PHE 39 20.136 1.832 -2.179 295 2HB PHE 39 3HB PHE 39 18.454 1.454 -2.534 296 HD1 PHE 39 HD1 PHE 39 21.425 0.290 -3.303 297 HD2 PHE 39 HD2 PHE 39 18.185 2.160 -5.332 298 HE1 PHE 39 HE1 PHE 39 22.118 -0.793 -5.400 299 HE2 PHE 39 HE2 PHE 39 18.872 1.079 -7.432 300 HZ PHE 39 HZ PHE 39 20.840 -0.401 -7.468 301 H ALA 40 H ALA 40 16.710 4.455 -3.124 302 HA ALA 40 HA ALA 40 16.463 4.615 -0.196 303 1HB ALA 40 1HB ALA 40 16.561 6.834 -0.355 304 2HB ALA 40 2HB ALA 40 16.443 6.790 -2.115 305 3HB ALA 40 3HB ALA 40 14.979 6.750 -1.131 306 H PHE 41 H PHE 41 14.324 4.501 0.626 307 HA PHE 41 HA PHE 41 12.339 3.472 -1.293 308 1HB PHE 41 2HB PHE 41 13.447 2.230 1.099 309 2HB PHE 41 3HB PHE 41 11.689 2.321 1.150 310 HD1 PHE 41 HD1 PHE 41 10.332 1.074 -0.400 311 HD2 PHE 41 HD2 PHE 41 14.581 0.903 -0.582 312 HE1 PHE 41 HE1 PHE 41 10.186 -0.897 -1.865 313 HE2 PHE 41 HE2 PHE 41 14.442 -1.068 -2.048 314 HZ PHE 41 HZ PHE 41 12.243 -1.971 -2.692 315 H VAL 42 H VAL 42 10.192 4.024 -0.951 316 HA VAL 42 HA VAL 42 9.589 5.835 1.273 317 HB VAL 42 HB VAL 42 8.830 6.480 -1.577 318 1HG1 VAL 42 1HG1 VAL 42 7.226 7.492 -0.264 319 2HG1 VAL 42 2HG1 VAL 42 8.342 7.765 1.075 320 3HG1 VAL 42 3HG1 VAL 42 8.445 8.761 -0.377 321 1HG2 VAL 42 1HG2 VAL 42 11.287 6.661 -1.114 322 2HG2 VAL 42 2HG2 VAL 42 10.510 8.172 -1.586 323 3HG2 VAL 42 3HG2 VAL 42 10.902 7.874 0.107 324 H GLU 43 H GLU 43 7.371 5.978 1.809 325 HA GLU 43 HA GLU 43 5.661 3.942 0.543 326 1HB GLU 43 2HB GLU 43 6.603 3.355 2.856 327 2HB GLU 43 3HB GLU 43 5.542 4.612 3.476 328 1HG GLU 43 2HG GLU 43 3.694 3.365 3.227 329 2HG GLU 43 3HG GLU 43 4.253 2.647 1.717 330 H PHE 44 H PHE 44 3.737 4.643 -0.125 331 HA PHE 44 HA PHE 44 2.930 7.363 0.613 332 1HB PHE 44 2HB PHE 44 2.817 5.800 -1.823 333 2HB PHE 44 3HB PHE 44 1.228 6.434 -1.407 334 HD1 PHE 44 HD1 PHE 44 1.101 8.953 -0.852 335 HD2 PHE 44 HD2 PHE 44 4.339 7.137 -2.934 336 HE1 PHE 44 HE1 PHE 44 1.732 11.144 -1.775 337 HE2 PHE 44 HE2 PHE 44 4.975 9.325 -3.860 338 HZ PHE 44 HZ PHE 44 3.672 11.333 -3.281 339 H GLU 45 H GLU 45 1.168 7.758 1.799 340 HA GLU 45 HA GLU 45 -0.126 5.799 3.271 341 1HB GLU 45 2HB GLU 45 -1.624 7.490 4.006 342 2HB GLU 45 3HB GLU 45 -0.079 8.282 3.729 343 1HG GLU 45 2HG GLU 45 -0.862 9.149 1.614 344 2HG GLU 45 3HG GLU 45 -2.388 8.285 1.798 345 H ASP 46 H ASP 46 -0.905 7.116 0.121 346 HA ASP 46 HA ASP 46 -3.141 5.204 -0.065 347 1HB ASP 46 2HB ASP 46 -3.006 8.058 -0.700 348 2HB ASP 46 3HB ASP 46 -3.637 7.083 -2.024 349 HA PRO 47 HA PRO 47 -1.105 3.331 -3.473 350 1HB PRO 47 2HB PRO 47 -3.233 2.474 -4.925 351 2HB PRO 47 3HB PRO 47 -2.743 1.721 -3.402 352 1HG PRO 47 2HG PRO 47 -4.912 3.720 -3.916 353 2HG PRO 47 3HG PRO 47 -4.944 2.272 -2.893 354 1HD PRO 47 2HD PRO 47 -4.602 4.761 -1.884 355 2HD PRO 47 3HD PRO 47 -3.859 3.324 -1.152 356 H ARG 48 H ARG 48 -3.922 5.271 -4.498 357 HA ARG 48 HA ARG 48 -3.163 5.730 -7.121 358 1HB ARG 48 2HB ARG 48 -4.602 7.739 -7.016 359 2HB ARG 48 3HB ARG 48 -5.369 6.322 -6.311 360 1HG ARG 48 2HG ARG 48 -4.256 7.365 -4.108 361 2HG ARG 48 3HG ARG 48 -4.503 8.839 -5.046 362 1HD ARG 48 2HD ARG 48 -6.533 8.737 -4.032 363 2HD ARG 48 3HD ARG 48 -6.886 7.721 -5.429 364 HE ARG 48 HE ARG 48 -5.991 5.954 -3.585 365 1HH1 ARG 48 1HH1 ARG 48 -8.440 8.428 -3.546 366 2HH1 ARG 48 2HH1 ARG 48 -9.442 7.600 -2.400 367 1HH2 ARG 48 1HH2 ARG 48 -7.301 4.855 -2.077 368 2HH2 ARG 48 2HH2 ARG 48 -8.793 5.568 -1.565 369 H ASP 49 H ASP 49 -2.227 7.449 -4.188 370 HA ASP 49 HA ASP 49 -0.849 9.561 -5.478 371 1HB ASP 49 2HB ASP 49 -0.331 8.461 -2.710 372 2HB ASP 49 3HB ASP 49 0.068 10.071 -3.302 373 H ALA 50 H ALA 50 0.096 6.352 -4.413 374 HA ALA 50 HA ALA 50 2.894 6.705 -4.742 375 1HB ALA 50 1HB ALA 50 2.370 3.997 -5.110 376 2HB ALA 50 2HB ALA 50 2.791 4.802 -3.598 377 3HB ALA 50 3HB ALA 50 1.097 4.563 -4.027 378 H GLU 51 H GLU 51 0.338 5.436 -6.843 379 HA GLU 51 HA GLU 51 2.049 4.654 -8.958 380 1HB GLU 51 2HB GLU 51 -0.523 4.172 -8.434 381 2HB GLU 51 3HB GLU 51 -0.738 5.515 -9.548 382 1HG GLU 51 2HG GLU 51 -0.531 4.102 -11.231 383 2HG GLU 51 3HG GLU 51 1.137 3.808 -10.743 384 H ASP 52 H ASP 52 0.110 7.579 -8.411 385 HA ASP 52 HA ASP 52 0.811 8.870 -10.818 386 1HB ASP 52 2HB ASP 52 -1.031 9.402 -8.989 387 2HB ASP 52 3HB ASP 52 0.224 10.468 -8.364 388 H ALA 53 H ALA 53 2.180 9.054 -7.550 389 HA ALA 53 HA ALA 53 4.082 11.044 -8.033 390 1HB ALA 53 1HB ALA 53 3.529 10.332 -5.790 391 2HB ALA 53 2HB ALA 53 4.198 8.730 -6.103 392 3HB ALA 53 3HB ALA 53 5.260 10.138 -6.068 393 H VAL 54 H VAL 54 4.530 7.503 -8.052 394 HA VAL 54 HA VAL 54 7.183 7.471 -8.888 395 HB VAL 54 HB VAL 54 5.016 5.447 -9.467 396 1HG1 VAL 54 1HG1 VAL 54 7.724 5.599 -10.385 397 2HG1 VAL 54 2HG1 VAL 54 7.540 4.218 -9.303 398 3HG1 VAL 54 3HG1 VAL 54 6.502 4.373 -10.720 399 1HG2 VAL 54 1HG2 VAL 54 7.133 5.146 -7.383 400 2HG2 VAL 54 2HG2 VAL 54 5.705 6.122 -7.039 401 3HG2 VAL 54 3HG2 VAL 54 5.528 4.420 -7.466 402 H ARG 55 H ARG 55 4.293 6.973 -10.925 403 HA ARG 55 HA ARG 55 5.537 6.896 -13.385 404 1HB ARG 55 2HB ARG 55 2.822 7.956 -12.605 405 2HB ARG 55 3HB ARG 55 3.341 7.807 -14.278 406 1HG ARG 55 2HG ARG 55 3.423 5.468 -14.162 407 2HG ARG 55 3HG ARG 55 3.377 5.472 -12.398 408 1HD ARG 55 2HD ARG 55 1.130 5.725 -12.323 409 2HD ARG 55 3HD ARG 55 1.093 6.749 -13.757 410 HE ARG 55 HE ARG 55 0.770 3.897 -13.656 411 1HH1 ARG 55 1HH1 ARG 55 1.713 6.599 -15.640 412 2HH1 ARG 55 2HH1 ARG 55 1.374 5.788 -17.133 413 1HH2 ARG 55 1HH2 ARG 55 0.320 2.820 -15.616 414 2HH2 ARG 55 2HH2 ARG 55 0.580 3.639 -17.118 415 H GLY 56 H GLY 56 4.638 9.695 -11.447 416 1HA GLY 56 2HA GLY 56 5.142 11.647 -13.451 417 2HA GLY 56 3HA GLY 56 5.044 11.942 -11.722 418 H LEU 57 H LEU 57 7.047 10.928 -10.521 419 HA LEU 57 HA LEU 57 9.280 12.425 -11.223 420 1HB LEU 57 2HB LEU 57 8.784 10.139 -9.388 421 2HB LEU 57 3HB LEU 57 10.455 10.583 -9.730 422 HG LEU 57 HG LEU 57 10.031 12.836 -8.872 423 1HD1 LEU 57 1HD1 LEU 57 7.760 12.855 -7.467 424 2HD1 LEU 57 2HD1 LEU 57 7.251 11.835 -8.812 425 3HD1 LEU 57 3HD1 LEU 57 7.870 13.457 -9.122 426 1HD2 LEU 57 1HD2 LEU 57 9.933 10.393 -7.338 427 2HD2 LEU 57 2HD2 LEU 57 9.101 11.706 -6.504 428 3HD2 LEU 57 3HD2 LEU 57 10.783 11.901 -7.000 429 H ASP 58 H ASP 58 8.808 8.910 -11.594 430 HA ASP 58 HA ASP 58 11.209 8.445 -12.985 431 1HB ASP 58 2HB ASP 58 10.146 6.564 -12.013 432 2HB ASP 58 3HB ASP 58 8.618 6.915 -12.817 433 H GLY 59 H GLY 59 8.003 9.392 -14.058 434 1HA GLY 59 2HA GLY 59 8.562 8.997 -16.849 435 2HA GLY 59 3HA GLY 59 7.165 9.819 -16.170 436 H LYS 60 H LYS 60 9.275 11.463 -14.597 437 HA LYS 60 HA LYS 60 10.548 13.045 -16.628 438 1HB LYS 60 2HB LYS 60 7.879 13.711 -15.835 439 2HB LYS 60 3HB LYS 60 8.969 14.963 -15.256 440 1HG LYS 60 2HG LYS 60 9.294 14.060 -18.059 441 2HG LYS 60 3HG LYS 60 7.875 15.034 -17.667 442 1HD LYS 60 2HD LYS 60 9.091 16.900 -17.480 443 2HD LYS 60 3HD LYS 60 10.312 16.096 -16.490 444 1HE LYS 60 2HE LYS 60 11.500 16.714 -18.386 445 2HE LYS 60 3HE LYS 60 11.082 15.033 -18.712 446 1HZ LYS 60 1HZ LYS 60 9.070 16.005 -19.907 447 2HZ LYS 60 2HZ LYS 60 10.573 16.147 -20.671 448 3HZ LYS 60 3HZ LYS 60 9.902 17.479 -19.872 449 H VAL 61 H VAL 61 12.392 13.720 -15.769 450 HA VAL 61 HA VAL 61 13.244 13.336 -13.201 451 HB VAL 61 HB VAL 61 15.057 14.834 -13.618 452 1HG1 VAL 61 1HG1 VAL 61 14.269 13.731 -16.307 453 2HG1 VAL 61 2HG1 VAL 61 15.898 14.006 -15.687 454 3HG1 VAL 61 3HG1 VAL 61 14.889 12.739 -14.988 455 1HG2 VAL 61 1HG2 VAL 61 13.293 16.030 -15.748 456 2HG2 VAL 61 2HG2 VAL 61 13.904 16.816 -14.292 457 3HG2 VAL 61 3HG2 VAL 61 15.015 16.376 -15.589 458 H ILE 62 H ILE 62 13.522 14.663 -11.368 459 HA ILE 62 HA ILE 62 11.590 16.882 -11.195 460 HB ILE 62 HB ILE 62 10.851 15.119 -9.765 461 1HG1 ILE 62 2HG1 ILE 62 11.276 17.640 -8.890 462 2HG1 ILE 62 3HG1 ILE 62 10.474 16.403 -7.928 463 1HG2 ILE 62 1HG2 ILE 62 12.841 13.796 -9.601 464 2HG2 ILE 62 2HG2 ILE 62 13.670 15.067 -8.705 465 3HG2 ILE 62 3HG2 ILE 62 12.317 14.210 -7.969 466 1HD1 ILE 62 1HD1 ILE 62 12.242 17.716 -6.745 467 2HD1 ILE 62 2HD1 ILE 62 12.449 15.965 -6.697 468 3HD1 ILE 62 3HD1 ILE 62 13.426 16.939 -7.796 469 H CYS 63 H CYS 63 12.416 18.832 -10.861 470 HA CYS 63 HA CYS 63 13.965 20.480 -10.541 471 1HB CYS 63 2HB CYS 63 13.276 19.506 -8.167 472 2HB CYS 63 3HB CYS 63 14.976 19.052 -8.125 473 HG CYS 63 HG CYS 63 15.468 21.943 -8.947 474 H GLY 64 H GLY 64 14.890 18.563 -12.322 475 1HA GLY 64 2HA GLY 64 16.864 18.095 -13.416 476 2HA GLY 64 3HA GLY 64 17.704 19.037 -12.193 477 H SER 65 H SER 65 15.649 16.282 -11.484 478 HA SER 65 HA SER 65 18.052 14.722 -10.799 479 1HB SER 65 2HB SER 65 15.530 14.527 -9.176 480 2HB SER 65 3HB SER 65 17.175 14.081 -8.725 481 HG SER 65 HG SER 65 17.655 16.370 -8.809 482 H ARG 66 H ARG 66 18.036 13.284 -12.447 483 HA ARG 66 HA ARG 66 15.563 12.002 -13.264 484 1HB ARG 66 2HB ARG 66 16.919 10.937 -14.993 485 2HB ARG 66 3HB ARG 66 17.195 12.674 -14.968 486 1HG ARG 66 2HG ARG 66 19.098 11.487 -13.245 487 2HG ARG 66 3HG ARG 66 19.083 10.566 -14.750 488 1HD ARG 66 2HD ARG 66 19.238 12.778 -15.958 489 2HD ARG 66 3HD ARG 66 19.548 13.518 -14.388 490 HE ARG 66 HE ARG 66 21.399 11.563 -14.499 491 1HH1 ARG 66 1HH1 ARG 66 20.490 14.089 -16.715 492 2HH1 ARG 66 2HH1 ARG 66 22.077 14.247 -17.390 493 1HH2 ARG 66 1HH2 ARG 66 23.494 11.761 -15.380 494 2HH2 ARG 66 2HH2 ARG 66 23.785 12.922 -16.631 495 H VAL 67 H VAL 67 15.976 11.382 -10.677 496 HA VAL 67 HA VAL 67 17.532 9.109 -10.140 497 HB VAL 67 HB VAL 67 15.931 8.754 -8.216 498 1HG1 VAL 67 1HG1 VAL 67 17.563 11.160 -8.744 499 2HG1 VAL 67 2HG1 VAL 67 16.494 11.224 -7.341 500 3HG1 VAL 67 3HG1 VAL 67 17.704 9.948 -7.472 501 1HG2 VAL 67 1HG2 VAL 67 14.749 11.410 -8.896 502 2HG2 VAL 67 2HG2 VAL 67 14.063 9.946 -9.602 503 3HG2 VAL 67 3HG2 VAL 67 14.122 10.136 -7.849 504 H ARG 68 H ARG 68 16.302 7.043 -9.249 505 HA ARG 68 HA ARG 68 14.647 6.075 -11.481 506 1HB ARG 68 2HB ARG 68 16.883 4.976 -11.049 507 2HB ARG 68 3HB ARG 68 16.220 4.396 -9.527 508 1HG ARG 68 2HG ARG 68 15.965 2.605 -10.994 509 2HG ARG 68 3HG ARG 68 14.366 3.350 -10.937 510 1HD ARG 68 2HD ARG 68 15.406 4.716 -12.988 511 2HD ARG 68 3HD ARG 68 16.334 3.225 -13.144 512 HE ARG 68 HE ARG 68 13.509 2.795 -12.858 513 1HH1 ARG 68 1HH1 ARG 68 16.085 3.464 -15.102 514 2HH1 ARG 68 2HH1 ARG 68 15.243 2.807 -16.466 515 1HH2 ARG 68 1HH2 ARG 68 12.390 1.926 -14.646 516 2HH2 ARG 68 2HH2 ARG 68 13.141 1.933 -16.206 517 H VAL 69 H VAL 69 12.565 6.274 -10.914 518 HA VAL 69 HA VAL 69 11.761 5.385 -8.223 519 HB VAL 69 HB VAL 69 10.083 7.065 -10.077 520 1HG1 VAL 69 1HG1 VAL 69 8.778 6.065 -8.377 521 2HG1 VAL 69 2HG1 VAL 69 9.988 6.416 -7.141 522 3HG1 VAL 69 3HG1 VAL 69 9.058 7.729 -7.865 523 1HG2 VAL 69 1HG2 VAL 69 10.959 8.793 -8.157 524 2HG2 VAL 69 2HG2 VAL 69 12.406 7.833 -8.466 525 3HG2 VAL 69 3HG2 VAL 69 11.612 8.683 -9.792 526 H GLU 70 H GLU 70 10.497 3.646 -8.016 527 HA GLU 70 HA GLU 70 8.698 2.803 -10.097 528 1HB GLU 70 2HB GLU 70 11.294 1.826 -10.243 529 2HB GLU 70 3HB GLU 70 10.406 0.539 -9.439 530 1HG GLU 70 2HG GLU 70 8.774 1.331 -11.551 531 2HG GLU 70 3HG GLU 70 10.410 1.315 -12.209 532 H LEU 71 H LEU 71 7.460 0.852 -9.451 533 HA LEU 71 HA LEU 71 7.269 0.678 -6.516 534 1HB LEU 71 2HB LEU 71 4.861 -0.199 -7.345 535 2HB LEU 71 3HB LEU 71 5.213 1.475 -6.923 536 HG LEU 71 HG LEU 71 5.626 1.910 -9.355 537 1HD1 LEU 71 1HD1 LEU 71 4.895 -0.965 -9.475 538 2HD1 LEU 71 2HD1 LEU 71 6.054 -0.049 -10.437 539 3HD1 LEU 71 3HD1 LEU 71 4.327 0.094 -10.767 540 1HD2 LEU 71 1HD2 LEU 71 3.468 2.358 -8.130 541 2HD2 LEU 71 2HD2 LEU 71 2.863 0.848 -8.812 542 3HD2 LEU 71 3HD2 LEU 71 3.331 2.173 -9.878 543 H SER 72 H SER 72 7.780 -1.218 -5.664 544 HA SER 72 HA SER 72 8.294 -3.505 -7.303 545 1HB SER 72 2HB SER 72 9.707 -3.184 -5.398 546 2HB SER 72 3HB SER 72 8.323 -3.085 -4.310 547 HG SER 72 HG SER 72 8.333 -5.175 -4.175 548 H THR 73 H THR 73 5.619 -2.368 -5.427 549 HA THR 73 HA THR 73 4.009 -4.603 -6.351 550 HB THR 73 HB THR 73 3.988 -3.938 -3.409 551 HG1 THR 73 HG1 THR 73 5.490 -5.863 -4.846 552 1HG2 THR 73 1HG2 THR 73 2.037 -5.049 -3.649 553 2HG2 THR 73 2HG2 THR 73 3.070 -6.478 -3.688 554 3HG2 THR 73 3HG2 THR 73 2.511 -5.752 -5.194 555 H GLY 74 H GLY 74 1.748 -4.200 -6.273 556 1HA GLY 74 2HA GLY 74 -0.153 -2.859 -5.816 557 2HA GLY 74 3HA GLY 74 0.918 -1.521 -5.426 558 H MET 75 H MET 75 1.448 -3.392 -8.303 559 HA MET 75 HA MET 75 0.236 -1.260 -9.926 560 1HB MET 75 2HB MET 75 2.590 -0.792 -9.917 561 2HB MET 75 3HB MET 75 2.981 -2.474 -10.251 562 1HG MET 75 2HG MET 75 1.258 -1.491 -12.300 563 2HG MET 75 3HG MET 75 2.602 -0.373 -12.082 564 1HE MET 75 1HE MET 75 5.582 -1.766 -13.176 565 2HE MET 75 2HE MET 75 4.525 -1.219 -14.477 566 3HE MET 75 3HE MET 75 4.484 -0.412 -12.908 567 HA PRO 76 HA PRO 76 -1.384 -5.309 -11.350 568 1HB PRO 76 2HB PRO 76 -3.827 -4.330 -12.017 569 2HB PRO 76 3HB PRO 76 -3.408 -4.829 -10.374 570 1HG PRO 76 2HG PRO 76 -3.476 -2.081 -11.560 571 2HG PRO 76 3HG PRO 76 -4.056 -2.631 -9.978 572 1HD PRO 76 2HD PRO 76 -1.687 -1.359 -10.299 573 2HD PRO 76 3HD PRO 76 -1.946 -2.595 -9.051 574 H ARG 77 H ARG 77 -0.703 -5.878 -13.313 575 HA ARG 77 HA ARG 77 -1.405 -4.169 -15.597 576 1HB ARG 77 2HB ARG 77 1.215 -4.602 -14.615 577 2HB ARG 77 3HB ARG 77 1.074 -5.517 -16.111 578 1HG ARG 77 2HG ARG 77 -0.039 -3.166 -16.853 579 2HG ARG 77 3HG ARG 77 1.147 -2.619 -15.667 580 1HD ARG 77 2HD ARG 77 2.586 -4.436 -17.105 581 2HD ARG 77 3HD ARG 77 1.533 -3.750 -18.342 582 HE ARG 77 HE ARG 77 2.497 -1.565 -17.080 583 1HH1 ARG 77 1HH1 ARG 77 4.008 -4.370 -18.484 584 2HH1 ARG 77 2HH1 ARG 77 5.462 -3.532 -18.915 585 1HH2 ARG 77 1HH2 ARG 77 4.407 -0.451 -17.642 586 2HH2 ARG 77 2HH2 ARG 77 5.688 -1.304 -18.435 587 H ARG 78 H ARG 78 -1.719 -5.258 -17.572 588 HA ARG 78 HA ARG 78 -2.572 -8.010 -17.244 589 1HB ARG 78 2HB ARG 78 -3.656 -7.769 -19.358 590 2HB ARG 78 3HB ARG 78 -3.938 -6.286 -18.457 591 1HG ARG 78 2HG ARG 78 -3.337 -5.304 -20.380 592 2HG ARG 78 3HG ARG 78 -1.699 -5.617 -19.804 593 1HD ARG 78 2HD ARG 78 -1.848 -6.362 -22.073 594 2HD ARG 78 3HD ARG 78 -1.752 -7.782 -21.032 595 HE ARG 78 HE ARG 78 -3.843 -8.391 -21.732 596 1HH1 ARG 78 1HH1 ARG 78 -3.297 -5.051 -22.550 597 2HH1 ARG 78 2HH1 ARG 78 -4.748 -4.907 -23.485 598 1HH2 ARG 78 1HH2 ARG 78 -5.756 -8.214 -22.961 599 2HH2 ARG 78 2HH2 ARG 78 -6.147 -6.706 -23.718 600 H SER 79 H SER 79 0.235 -6.436 -18.176 601 HA SER 79 HA SER 79 1.122 -8.118 -20.282 602 1HB SER 79 2HB SER 79 2.022 -5.798 -19.524 603 2HB SER 79 3HB SER 79 2.998 -6.728 -18.388 604 HG SER 79 HG SER 79 3.050 -6.754 -21.206 605 H ARG 80 H ARG 80 3.581 -9.045 -19.629 606 HA ARG 80 HA ARG 80 2.931 -11.401 -18.105 607 1HB ARG 80 2HB ARG 80 5.316 -10.499 -19.688 608 2HB ARG 80 3HB ARG 80 5.427 -11.902 -18.633 609 1HG ARG 80 2HG ARG 80 3.333 -12.728 -19.901 610 2HG ARG 80 3HG ARG 80 3.797 -11.528 -21.109 611 1HD ARG 80 2HD ARG 80 5.449 -13.843 -20.110 612 2HD ARG 80 3HD ARG 80 4.743 -13.654 -21.715 613 HE ARG 80 HE ARG 80 6.369 -11.469 -21.376 614 1HH1 ARG 80 1HH1 ARG 80 6.773 -14.927 -21.322 615 2HH1 ARG 80 2HH1 ARG 80 8.411 -14.875 -21.884 616 1HH2 ARG 80 1HH2 ARG 80 8.525 -11.388 -22.116 617 2HH2 ARG 80 2HH2 ARG 80 9.407 -12.861 -22.334 618 H PHE 81 H PHE 81 2.663 -9.440 -16.341 619 HA PHE 81 HA PHE 81 4.987 -8.662 -14.943 620 1HB PHE 81 2HB PHE 81 3.521 -7.871 -13.235 621 2HB PHE 81 3HB PHE 81 2.696 -7.606 -14.768 622 HD1 PHE 81 HD1 PHE 81 0.740 -8.897 -15.370 623 HD2 PHE 81 HD2 PHE 81 2.725 -9.511 -11.656 624 HE1 PHE 81 HE1 PHE 81 -1.209 -10.147 -14.539 625 HE2 PHE 81 HE2 PHE 81 0.780 -10.763 -10.819 626 HZ PHE 81 HZ PHE 81 -1.191 -11.083 -12.261 627 H ASP 82 H ASP 82 6.203 -9.671 -13.469 628 HA ASP 82 HA ASP 82 5.540 -12.430 -12.801 629 1HB ASP 82 2HB ASP 82 7.974 -10.924 -13.180 630 2HB ASP 82 3HB ASP 82 7.999 -11.745 -11.622 631 H ARG 83 H ARG 83 6.325 -9.380 -11.170 632 HA ARG 83 HA ARG 83 5.924 -10.477 -8.548 633 1HB ARG 83 2HB ARG 83 7.232 -8.278 -9.507 634 2HB ARG 83 3HB ARG 83 5.770 -7.554 -8.850 635 1HG ARG 83 2HG ARG 83 6.754 -7.580 -6.867 636 2HG ARG 83 3HG ARG 83 6.616 -9.340 -6.893 637 1HD ARG 83 2HD ARG 83 8.873 -9.080 -6.546 638 2HD ARG 83 3HD ARG 83 8.812 -9.193 -8.304 639 HE ARG 83 HE ARG 83 8.653 -6.500 -7.311 640 1HH1 ARG 83 1HH1 ARG 83 10.786 -9.088 -8.245 641 2HH1 ARG 83 2HH1 ARG 83 12.117 -8.037 -8.602 642 1HH2 ARG 83 1HH2 ARG 83 10.398 -5.106 -7.777 643 2HH2 ARG 83 2HH2 ARG 83 11.895 -5.773 -8.334 644 HA PRO 84 HA PRO 84 1.496 -10.114 -8.634 645 1HB PRO 84 2HB PRO 84 1.092 -10.794 -6.037 646 2HB PRO 84 3HB PRO 84 1.478 -11.978 -7.292 647 1HG PRO 84 2HG PRO 84 3.282 -10.703 -5.272 648 2HG PRO 84 3HG PRO 84 3.208 -12.395 -5.795 649 1HD PRO 84 2HD PRO 84 5.076 -10.667 -6.718 650 2HD PRO 84 3HD PRO 84 4.428 -11.989 -7.708 651 HA PRO 85 HA PRO 85 1.320 -5.899 -7.101 652 1HB PRO 85 2HB PRO 85 -1.133 -5.363 -8.134 653 2HB PRO 85 3HB PRO 85 0.342 -5.356 -9.108 654 1HG PRO 85 2HG PRO 85 -1.731 -7.497 -8.827 655 2HG PRO 85 3HG PRO 85 -0.916 -6.915 -10.290 656 1HD PRO 85 2HD PRO 85 -0.184 -9.193 -9.022 657 2HD PRO 85 3HD PRO 85 0.979 -8.162 -9.882 658 H ALA 86 H ALA 86 0.096 -4.769 -5.538 659 HA ALA 86 HA ALA 86 -1.227 -6.486 -3.629 660 1HB ALA 86 1HB ALA 86 -1.452 -4.194 -2.410 661 2HB ALA 86 2HB ALA 86 0.129 -4.965 -2.550 662 3HB ALA 86 3HB ALA 86 -0.307 -3.645 -3.634 663 H ARG 87 H ARG 87 -2.812 -6.675 -5.711 664 HA ARG 87 HA ARG 87 -5.312 -5.806 -4.829 665 1HB ARG 87 2HB ARG 87 -5.800 -4.229 -6.790 666 2HB ARG 87 3HB ARG 87 -4.859 -3.588 -5.450 667 1HG ARG 87 2HG ARG 87 -3.132 -4.748 -7.437 668 2HG ARG 87 3HG ARG 87 -4.203 -3.543 -8.156 669 1HD ARG 87 2HD ARG 87 -3.056 -2.722 -5.598 670 2HD ARG 87 3HD ARG 87 -1.850 -3.017 -6.850 671 HE ARG 87 HE ARG 87 -3.705 -1.475 -8.094 672 1HH1 ARG 87 1HH1 ARG 87 -1.873 -1.156 -5.151 673 2HH1 ARG 87 2HH1 ARG 87 -1.826 0.575 -5.214 674 1HH2 ARG 87 1HH2 ARG 87 -3.651 0.803 -8.188 675 2HH2 ARG 87 2HH2 ARG 87 -2.839 1.688 -6.942 676 H ARG 88 H ARG 88 -4.026 -8.142 -5.867 677 HA ARG 88 HA ARG 88 -4.924 -8.630 -8.537 678 1HB ARG 88 2HB ARG 88 -4.305 -10.989 -8.047 679 2HB ARG 88 3HB ARG 88 -3.014 -9.844 -7.709 680 1HG ARG 88 2HG ARG 88 -3.423 -9.978 -5.355 681 2HG ARG 88 3HG ARG 88 -4.869 -10.955 -5.617 682 1HD ARG 88 2HD ARG 88 -2.262 -11.919 -6.692 683 2HD ARG 88 3HD ARG 88 -2.574 -12.064 -4.963 684 HE ARG 88 HE ARG 88 -3.719 -13.636 -7.048 685 1HH1 ARG 88 1HH1 ARG 88 -4.323 -12.296 -3.892 686 2HH1 ARG 88 2HH1 ARG 88 -5.478 -13.511 -3.454 687 1HH2 ARG 88 1HH2 ARG 88 -5.239 -15.241 -6.483 688 2HH2 ARG 88 2HH2 ARG 88 -5.998 -15.186 -4.929 689 H LYS 89 H LYS 89 -6.441 -10.401 -9.083 690 HA LYS 89 HA LYS 89 -8.470 -11.046 -7.121 691 1HB LYS 89 2HB LYS 89 -10.321 -10.070 -8.304 692 2HB LYS 89 3HB LYS 89 -9.136 -8.806 -7.998 693 1HG LYS 89 2HG LYS 89 -8.322 -9.030 -10.302 694 2HG LYS 89 3HG LYS 89 -9.550 -10.263 -10.602 695 1HD LYS 89 2HD LYS 89 -10.310 -7.544 -9.592 696 2HD LYS 89 3HD LYS 89 -10.033 -7.826 -11.312 697 1HE LYS 89 2HE LYS 89 -12.057 -8.716 -11.524 698 2HE LYS 89 3HE LYS 89 -11.697 -9.904 -10.273 699 1HZ LYS 89 1HZ LYS 89 -12.166 -7.739 -8.795 700 2HZ LYS 89 2HZ LYS 89 -13.361 -8.861 -9.212 701 3HZ LYS 89 3HZ LYS 89 -13.199 -7.429 -10.099 702 H LEU 90 H LEU 90 -10.241 -12.407 -8.180 703 HA LEU 90 HA LEU 90 -9.854 -13.650 -10.663 704 1HB LEU 90 2HB LEU 90 -7.883 -14.640 -9.821 705 2HB LEU 90 3HB LEU 90 -8.651 -15.037 -8.285 706 HG LEU 90 HG LEU 90 -10.007 -16.740 -9.404 707 1HD1 LEU 90 1HD1 LEU 90 -10.372 -16.196 -11.581 708 2HD1 LEU 90 2HD1 LEU 90 -9.018 -17.304 -11.798 709 3HD1 LEU 90 3HD1 LEU 90 -8.742 -15.563 -11.814 710 1HD2 LEU 90 1HD2 LEU 90 -8.334 -18.352 -9.557 711 2HD2 LEU 90 2HD2 LEU 90 -7.625 -17.122 -8.511 712 3HD2 LEU 90 3HD2 LEU 90 -7.159 -17.211 -10.210 713 H LEU 91 H LEU 91 -12.059 -13.518 -10.828 714 HA LEU 91 HA LEU 91 -13.569 -15.644 -9.674 715 1HB LEU 91 2HB LEU 91 -13.402 -13.514 -8.026 716 2HB LEU 91 3HB LEU 91 -14.813 -13.062 -8.980 717 HG LEU 91 HG LEU 91 -15.584 -14.137 -7.001 718 1HD1 LEU 91 1HD1 LEU 91 -16.895 -15.908 -7.896 719 2HD1 LEU 91 2HD1 LEU 91 -15.726 -16.206 -9.182 720 3HD1 LEU 91 3HD1 LEU 91 -16.673 -14.719 -9.180 721 1HD2 LEU 91 1HD2 LEU 91 -13.491 -15.284 -6.422 722 2HD2 LEU 91 2HD2 LEU 91 -13.787 -16.455 -7.708 723 3HD2 LEU 91 3HD2 LEU 91 -14.885 -16.361 -6.329 724 H GLU 92 H GLU 92 -14.114 -12.357 -10.957 725 HA GLU 92 HA GLU 92 -16.372 -13.079 -12.492 726 1HB GLU 92 2HB GLU 92 -15.621 -10.741 -11.730 727 2HB GLU 92 3HB GLU 92 -14.559 -10.763 -13.131 728 1HG GLU 92 2HG GLU 92 -16.484 -11.053 -14.597 729 2HG GLU 92 3HG GLU 92 -17.554 -11.047 -13.197 730 H VAL 93 H VAL 93 -12.959 -13.245 -13.087 731 HA VAL 93 HA VAL 93 -13.385 -13.801 -15.930 732 HB VAL 93 HB VAL 93 -10.748 -13.625 -14.474 733 1HG1 VAL 93 1HG1 VAL 93 -11.539 -13.618 -17.376 734 2HG1 VAL 93 2HG1 VAL 93 -9.952 -13.087 -16.813 735 3HG1 VAL 93 3HG1 VAL 93 -10.477 -14.749 -16.536 736 1HG2 VAL 93 1HG2 VAL 93 -12.508 -11.502 -15.604 737 2HG2 VAL 93 2HG2 VAL 93 -11.511 -11.482 -14.149 738 3HG2 VAL 93 3HG2 VAL 93 -10.758 -11.324 -15.736 739 H LEU 94 H LEU 94 -12.606 -15.710 -16.910 740 HA LEU 94 HA LEU 94 -11.418 -17.842 -15.493 741 1HB LEU 94 2HB LEU 94 -13.986 -17.627 -14.765 742 2HB LEU 94 3HB LEU 94 -14.182 -18.618 -16.209 743 HG LEU 94 HG LEU 94 -14.102 -20.028 -14.256 744 1HD1 LEU 94 1HD1 LEU 94 -11.392 -20.485 -15.360 745 2HD1 LEU 94 2HD1 LEU 94 -12.740 -20.477 -16.497 746 3HD1 LEU 94 3HD1 LEU 94 -12.736 -21.607 -15.142 747 1HD2 LEU 94 1HD2 LEU 94 -11.343 -18.956 -13.701 748 2HD2 LEU 94 2HD2 LEU 94 -12.289 -20.076 -12.720 749 3HD2 LEU 94 3HD2 LEU 94 -12.793 -18.391 -12.870 750 H PHE 95 H PHE 95 -10.540 -19.236 -16.908 751 HA PHE 95 HA PHE 95 -11.742 -19.791 -19.461 752 1HB PHE 95 2HB PHE 95 -10.417 -17.541 -19.614 753 2HB PHE 95 3HB PHE 95 -9.001 -18.587 -19.620 754 HD1 PHE 95 HD1 PHE 95 -11.378 -16.979 -21.620 755 HD2 PHE 95 HD2 PHE 95 -9.112 -20.572 -21.348 756 HE1 PHE 95 HE1 PHE 95 -11.662 -17.336 -24.038 757 HE2 PHE 95 HE2 PHE 95 -9.391 -20.934 -23.766 758 HZ PHE 95 HZ PHE 95 -10.666 -19.315 -25.114 759 H ASN 96 H ASN 96 -11.605 -21.947 -19.170 760 HA ASN 96 HA ASN 96 -8.909 -23.093 -19.006 761 1HB ASN 96 2HB ASN 96 -9.600 -24.757 -17.401 762 2HB ASN 96 3HB ASN 96 -9.984 -23.166 -16.750 763 1HD2 ASN 96 1HD2 ASN 96 -12.264 -22.412 -17.416 764 2HD2 ASN 96 2HD2 ASN 96 -13.518 -23.582 -17.200 765 H GLY 97 H GLY 97 -10.867 -22.662 -21.186 766 1HA GLY 97 2HA GLY 97 -11.306 -23.856 -23.123 767 2HA GLY 97 3HA GLY 97 -10.683 -25.298 -22.335 768 HA PRO 98 HA PRO 98 -15.303 -24.911 -20.948 769 1HB PRO 98 2HB PRO 98 -16.791 -23.016 -22.198 770 2HB PRO 98 3HB PRO 98 -15.904 -22.708 -20.700 771 1HG PRO 98 2HG PRO 98 -15.147 -22.047 -23.520 772 2HG PRO 98 3HG PRO 98 -14.992 -21.055 -22.058 773 1HD PRO 98 2HD PRO 98 -12.904 -22.405 -23.130 774 2HD PRO 98 3HD PRO 98 -13.064 -22.124 -21.385 775 H LEU 99 H LEU 99 -14.405 -24.266 -24.279 776 HA LEU 99 HA LEU 99 -16.682 -25.577 -25.423 777 1HB LEU 99 2HB LEU 99 -14.338 -24.148 -26.357 778 2HB LEU 99 3HB LEU 99 -14.679 -25.569 -27.341 779 HG LEU 99 HG LEU 99 -17.057 -24.645 -27.531 780 1HD1 LEU 99 1HD1 LEU 99 -17.592 -22.670 -26.654 781 2HD1 LEU 99 2HD1 LEU 99 -16.104 -21.920 -27.231 782 3HD1 LEU 99 3HD1 LEU 99 -16.111 -22.805 -25.705 783 1HD2 LEU 99 1HD2 LEU 99 -16.135 -22.827 -29.201 784 2HD2 LEU 99 2HD2 LEU 99 -15.918 -24.549 -29.511 785 3HD2 LEU 99 3HD2 LEU 99 -14.594 -23.601 -28.832 786 H GLU 100 H GLU 100 -16.777 -27.598 -26.412 787 HA GLU 100 HA GLU 100 -14.875 -29.540 -25.341 788 1HB GLU 100 2HB GLU 100 -16.517 -31.222 -25.883 789 2HB GLU 100 3HB GLU 100 -17.311 -29.906 -25.029 790 1HG GLU 100 2HG GLU 100 -18.274 -29.076 -27.038 791 2HG GLU 100 3HG GLU 100 -17.306 -30.172 -28.022 792 H HIS 101 H HIS 101 -14.840 -27.680 -27.917 793 HA HIS 101 HA HIS 101 -13.820 -27.755 -29.950 794 1HB HIS 101 2HB HIS 101 -12.518 -29.752 -28.370 795 2HB HIS 101 3HB HIS 101 -12.668 -30.352 -30.019 796 HD1 HIS 101 HD1 HIS 101 -12.168 -27.836 -31.634 797 HD2 HIS 101 HD2 HIS 101 -9.964 -28.855 -28.263 798 HE1 HIS 101 HE1 HIS 101 -9.979 -26.619 -31.868 Start of MODEL 10 1 1H MET 1 H MET 1 0.703 -0.060 -2.232 2 HA MET 1 HA MET 1 1.845 -2.067 -2.865 3 1HB MET 1 2HB MET 1 2.783 -2.344 -5.051 4 2HB MET 1 3HB MET 1 1.134 -1.764 -5.249 5 1HG MET 1 2HG MET 1 1.918 0.458 -5.721 6 2HG MET 1 3HG MET 1 3.579 -0.017 -5.374 7 1HE MET 1 1HE MET 1 1.847 0.402 -9.270 8 2HE MET 1 2HE MET 1 0.652 -0.493 -8.331 9 3HE MET 1 3HE MET 1 1.338 1.001 -7.691 10 H LYS 2 H LYS 2 4.370 -2.109 -3.870 11 HA LYS 2 HA LYS 2 5.765 -0.394 -1.987 12 1HB LYS 2 2HB LYS 2 6.926 -2.499 -3.816 13 2HB LYS 2 3HB LYS 2 7.690 -1.782 -2.403 14 1HG LYS 2 2HG LYS 2 5.356 -2.817 -1.385 15 2HG LYS 2 3HG LYS 2 5.834 -4.009 -2.595 16 1HD LYS 2 2HD LYS 2 8.207 -3.634 -1.444 17 2HD LYS 2 3HD LYS 2 7.180 -3.204 -0.074 18 1HE LYS 2 2HE LYS 2 6.654 -5.712 -1.615 19 2HE LYS 2 3HE LYS 2 7.938 -5.674 -0.408 20 1HZ LYS 2 1HZ LYS 2 5.809 -6.453 0.492 21 2HZ LYS 2 2HZ LYS 2 5.102 -4.963 0.115 22 3HZ LYS 2 3HZ LYS 2 6.344 -5.043 1.261 23 H VAL 3 H VAL 3 7.340 1.104 -2.512 24 HA VAL 3 HA VAL 3 7.635 1.757 -5.368 25 HB VAL 3 HB VAL 3 7.516 3.899 -3.263 26 1HG1 VAL 3 1HG1 VAL 3 6.656 5.094 -5.444 27 2HG1 VAL 3 2HG1 VAL 3 8.381 4.852 -5.160 28 3HG1 VAL 3 3HG1 VAL 3 7.503 3.767 -6.238 29 1HG2 VAL 3 1HG2 VAL 3 5.410 2.689 -3.117 30 2HG2 VAL 3 2HG2 VAL 3 5.164 4.269 -3.860 31 3HG2 VAL 3 3HG2 VAL 3 5.196 2.819 -4.863 32 H TYR 4 H TYR 4 9.645 2.375 -6.029 33 HA TYR 4 HA TYR 4 11.741 2.519 -3.963 34 1HB TYR 4 2HB TYR 4 12.585 0.643 -4.857 35 2HB TYR 4 3HB TYR 4 11.480 0.715 -6.225 36 HD1 TYR 4 HD1 TYR 4 12.241 1.364 -8.355 37 HD2 TYR 4 HD2 TYR 4 14.720 2.006 -4.956 38 HE1 TYR 4 HE1 TYR 4 14.109 1.964 -9.838 39 HE2 TYR 4 HE2 TYR 4 16.594 2.608 -6.430 40 HH TYR 4 HH TYR 4 16.327 2.353 -9.941 41 H VAL 5 H VAL 5 12.697 4.432 -3.931 42 HA VAL 5 HA VAL 5 13.044 5.886 -6.469 43 HB VAL 5 HB VAL 5 12.822 8.008 -5.083 44 1HG1 VAL 5 1HG1 VAL 5 10.943 6.464 -6.429 45 2HG1 VAL 5 2HG1 VAL 5 10.143 6.933 -4.928 46 3HG1 VAL 5 3HG1 VAL 5 10.801 8.169 -6.001 47 1HG2 VAL 5 1HG2 VAL 5 12.750 6.270 -2.968 48 2HG2 VAL 5 2HG2 VAL 5 12.239 7.957 -2.921 49 3HG2 VAL 5 3HG2 VAL 5 11.048 6.683 -3.178 50 H GLY 6 H GLY 6 15.176 5.647 -6.837 51 1HA GLY 6 2HA GLY 6 17.011 6.324 -4.621 52 2HA GLY 6 3HA GLY 6 17.391 5.142 -5.865 53 H ASN 7 H ASN 7 19.317 6.311 -6.328 54 HA ASN 7 HA ASN 7 20.584 7.744 -7.558 55 1HB ASN 7 2HB ASN 7 17.928 7.878 -8.899 56 2HB ASN 7 3HB ASN 7 19.115 9.109 -9.322 57 1HD2 ASN 7 1HD2 ASN 7 18.985 5.600 -8.796 58 2HD2 ASN 7 2HD2 ASN 7 19.946 5.188 -10.171 59 H LEU 8 H LEU 8 20.524 8.781 -5.289 60 HA LEU 8 HA LEU 8 19.274 11.429 -5.347 61 1HB LEU 8 2HB LEU 8 20.775 10.247 -3.035 62 2HB LEU 8 3HB LEU 8 19.558 11.522 -3.019 63 HG LEU 8 HG LEU 8 19.015 8.608 -3.587 64 1HD1 LEU 8 1HD1 LEU 8 18.928 8.282 -1.399 65 2HD1 LEU 8 2HD1 LEU 8 17.740 9.575 -1.240 66 3HD1 LEU 8 3HD1 LEU 8 19.462 9.942 -1.129 67 1HD2 LEU 8 1HD2 LEU 8 17.546 10.758 -4.386 68 2HD2 LEU 8 2HD2 LEU 8 16.830 10.400 -2.815 69 3HD2 LEU 8 3HD2 LEU 8 16.893 9.153 -4.061 70 H GLY 9 H GLY 9 21.174 11.476 -7.151 71 1HA GLY 9 2HA GLY 9 23.495 12.722 -5.810 72 2HA GLY 9 3HA GLY 9 23.616 11.837 -7.323 73 H THR 10 H THR 10 22.061 14.672 -5.857 74 HA THR 10 HA THR 10 22.908 16.478 -7.801 75 HB THR 10 HB THR 10 21.549 15.446 -9.445 76 HG1 THR 10 HG1 THR 10 21.324 17.771 -9.254 77 1HG2 THR 10 1HG2 THR 10 20.128 14.029 -8.190 78 2HG2 THR 10 2HG2 THR 10 19.058 15.154 -9.026 79 3HG2 THR 10 3HG2 THR 10 19.421 15.387 -7.316 80 H GLY 11 H GLY 11 20.473 15.557 -5.460 81 1HA GLY 11 2HA GLY 11 20.546 17.293 -3.562 82 2HA GLY 11 3HA GLY 11 20.010 18.394 -4.822 83 H ALA 12 H ALA 12 18.960 15.057 -4.569 84 HA ALA 12 HA ALA 12 16.324 15.984 -3.645 85 1HB ALA 12 1HB ALA 12 16.278 15.645 -6.082 86 2HB ALA 12 2HB ALA 12 16.777 13.970 -5.843 87 3HB ALA 12 3HB ALA 12 15.220 14.523 -5.227 88 H GLY 13 H GLY 13 16.220 15.138 -1.646 89 1HA GLY 13 2HA GLY 13 16.818 12.257 -1.368 90 2HA GLY 13 3HA GLY 13 17.160 13.427 -0.102 91 H LYS 14 H LYS 14 15.823 13.057 1.535 92 HA LYS 14 HA LYS 14 13.295 11.822 1.292 93 1HB LYS 14 2HB LYS 14 12.997 12.529 3.676 94 2HB LYS 14 3HB LYS 14 14.482 11.639 3.364 95 1HG LYS 14 2HG LYS 14 15.452 13.281 4.528 96 2HG LYS 14 3HG LYS 14 15.321 14.198 3.025 97 1HD LYS 14 2HD LYS 14 12.891 14.682 4.044 98 2HD LYS 14 3HD LYS 14 13.787 14.441 5.546 99 1HE LYS 14 2HE LYS 14 15.029 16.183 3.497 100 2HE LYS 14 3HE LYS 14 13.604 16.811 4.322 101 1HZ LYS 14 1HZ LYS 14 15.350 15.659 6.207 102 2HZ LYS 14 2HZ LYS 14 14.836 17.265 6.087 103 3HZ LYS 14 3HZ LYS 14 16.218 16.756 5.256 104 H GLY 15 H GLY 15 14.243 15.211 1.797 105 1HA GLY 15 2HA GLY 15 11.643 16.267 1.989 106 2HA GLY 15 3HA GLY 15 13.077 17.168 1.520 107 H GLU 16 H GLU 16 13.774 15.886 -0.828 108 HA GLU 16 HA GLU 16 12.081 17.140 -2.686 109 1HB GLU 16 2HB GLU 16 14.563 15.749 -2.730 110 2HB GLU 16 3HB GLU 16 13.535 15.048 -3.972 111 1HG GLU 16 2HG GLU 16 14.509 16.709 -5.172 112 2HG GLU 16 3HG GLU 16 13.099 17.575 -4.563 113 H LEU 17 H LEU 17 12.586 13.655 -2.113 114 HA LEU 17 HA LEU 17 10.535 12.774 -3.810 115 1HB LEU 17 2HB LEU 17 11.142 10.714 -3.163 116 2HB LEU 17 3HB LEU 17 12.489 11.561 -2.405 117 HG LEU 17 HG LEU 17 10.833 11.639 -0.349 118 1HD1 LEU 17 1HD1 LEU 17 9.739 9.511 -2.127 119 2HD1 LEU 17 2HD1 LEU 17 8.893 10.662 -1.093 120 3HD1 LEU 17 3HD1 LEU 17 9.719 9.276 -0.379 121 1HD2 LEU 17 1HD2 LEU 17 11.860 9.573 0.467 122 2HD2 LEU 17 2HD2 LEU 17 13.035 10.601 -0.353 123 3HD2 LEU 17 3HD2 LEU 17 12.379 9.183 -1.172 124 H GLU 18 H GLU 18 10.480 13.972 -0.547 125 HA GLU 18 HA GLU 18 7.941 12.947 0.195 126 1HB GLU 18 2HB GLU 18 9.424 13.670 1.925 127 2HB GLU 18 3HB GLU 18 9.570 15.272 1.215 128 1HG GLU 18 2HG GLU 18 6.852 14.408 1.974 129 2HG GLU 18 3HG GLU 18 7.982 14.722 3.289 130 H ARG 19 H ARG 19 8.978 16.119 -1.039 131 HA ARG 19 HA ARG 19 6.409 17.272 -1.102 132 1HB ARG 19 2HB ARG 19 8.311 18.712 -1.192 133 2HB ARG 19 3HB ARG 19 8.940 17.897 -2.617 134 1HG ARG 19 2HG ARG 19 7.630 19.062 -4.026 135 2HG ARG 19 3HG ARG 19 6.263 19.079 -2.910 136 1HD ARG 19 2HD ARG 19 6.918 21.313 -3.013 137 2HD ARG 19 3HD ARG 19 7.674 20.725 -1.533 138 HE ARG 19 HE ARG 19 9.446 20.444 -3.717 139 1HH1 ARG 19 1HH1 ARG 19 8.053 22.846 -1.617 140 2HH1 ARG 19 2HH1 ARG 19 9.390 23.938 -1.764 141 1HH2 ARG 19 1HH2 ARG 19 11.212 21.873 -3.918 142 2HH2 ARG 19 2HH2 ARG 19 11.186 23.384 -3.074 143 H ALA 20 H ALA 20 8.248 15.439 -3.491 144 HA ALA 20 HA ALA 20 6.469 15.829 -5.656 145 1HB ALA 20 1HB ALA 20 7.989 14.675 -6.806 146 2HB ALA 20 2HB ALA 20 8.936 14.643 -5.318 147 3HB ALA 20 3HB ALA 20 7.879 13.290 -5.720 148 H PHE 21 H PHE 21 6.989 12.865 -3.732 149 HA PHE 21 HA PHE 21 4.816 11.432 -4.636 150 1HB PHE 21 2HB PHE 21 6.424 11.405 -2.130 151 2HB PHE 21 3HB PHE 21 4.914 10.499 -2.137 152 HD1 PHE 21 HD1 PHE 21 4.802 8.383 -3.103 153 HD2 PHE 21 HD2 PHE 21 8.124 10.906 -3.949 154 HE1 PHE 21 HE1 PHE 21 5.929 6.512 -4.237 155 HE2 PHE 21 HE2 PHE 21 9.255 9.040 -5.086 156 HZ PHE 21 HZ PHE 21 8.158 6.840 -5.231 157 H SER 22 H SER 22 4.951 13.672 -1.884 158 HA SER 22 HA SER 22 2.298 13.337 -1.034 159 1HB SER 22 2HB SER 22 4.007 14.434 0.349 160 2HB SER 22 3HB SER 22 4.072 15.780 -0.789 161 HG SER 22 HG SER 22 2.093 15.098 1.064 162 H TYR 23 H TYR 23 3.744 15.611 -3.330 163 HA TYR 23 HA TYR 23 1.504 17.192 -3.827 164 1HB TYR 23 2HB TYR 23 4.042 16.607 -5.207 165 2HB TYR 23 3HB TYR 23 2.744 17.166 -6.255 166 HD1 TYR 23 HD1 TYR 23 3.413 19.336 -6.822 167 HD2 TYR 23 HD2 TYR 23 3.439 18.149 -2.736 168 HE1 TYR 23 HE1 TYR 23 3.872 21.659 -6.156 169 HE2 TYR 23 HE2 TYR 23 3.897 20.468 -2.059 170 HH TYR 23 HH TYR 23 3.375 22.890 -3.316 171 H TYR 24 H TYR 24 2.525 14.151 -5.320 172 HA TYR 24 HA TYR 24 0.400 14.085 -7.220 173 1HB TYR 24 2HB TYR 24 2.470 12.143 -6.277 174 2HB TYR 24 3HB TYR 24 1.110 11.549 -7.223 175 HD1 TYR 24 HD1 TYR 24 3.715 14.225 -7.311 176 HD2 TYR 24 HD2 TYR 24 1.294 11.519 -9.528 177 HE1 TYR 24 HE1 TYR 24 4.868 14.897 -9.377 178 HE2 TYR 24 HE2 TYR 24 2.441 12.182 -11.600 179 HH TYR 24 HH TYR 24 3.776 13.830 -12.519 180 H GLY 25 H GLY 25 0.880 12.781 -3.985 181 1HA GLY 25 2HA GLY 25 -1.776 12.730 -3.252 182 2HA GLY 25 3HA GLY 25 -1.473 11.162 -3.987 183 HA PRO 26 HA PRO 26 -0.064 11.454 0.574 184 1HB PRO 26 2HB PRO 26 -2.194 10.264 1.765 185 2HB PRO 26 3HB PRO 26 -2.074 12.012 1.537 186 1HG PRO 26 2HG PRO 26 -3.565 9.988 -0.088 187 2HG PRO 26 3HG PRO 26 -4.084 11.598 0.444 188 1HD PRO 26 2HD PRO 26 -3.184 11.112 -2.063 189 2HD PRO 26 3HD PRO 26 -2.930 12.665 -1.241 190 H LEU 27 H LEU 27 1.436 9.884 0.536 191 HA LEU 27 HA LEU 27 0.758 7.191 -0.302 192 1HB LEU 27 2HB LEU 27 3.247 6.840 0.296 193 2HB LEU 27 3HB LEU 27 2.823 7.786 -1.129 194 HG LEU 27 HG LEU 27 3.287 9.846 0.067 195 1HD1 LEU 27 1HD1 LEU 27 2.620 9.255 2.292 196 2HD1 LEU 27 2HD1 LEU 27 4.315 9.741 2.326 197 3HD1 LEU 27 3HD1 LEU 27 3.887 8.032 2.397 198 1HD2 LEU 27 1HD2 LEU 27 5.108 8.403 -1.039 199 2HD2 LEU 27 2HD2 LEU 27 5.619 8.044 0.611 200 3HD2 LEU 27 3HD2 LEU 27 5.610 9.710 0.033 201 H ARG 28 H ARG 28 2.074 5.469 1.145 202 HA ARG 28 HA ARG 28 0.671 5.453 3.659 203 1HB ARG 28 2HB ARG 28 1.751 3.511 1.913 204 2HB ARG 28 3HB ARG 28 2.599 3.334 3.444 205 1HG ARG 28 2HG ARG 28 -0.343 3.596 3.570 206 2HG ARG 28 3HG ARG 28 0.306 2.096 2.904 207 1HD ARG 28 2HD ARG 28 1.404 1.550 4.886 208 2HD ARG 28 3HD ARG 28 1.338 3.206 5.487 209 HE ARG 28 HE ARG 28 -0.763 2.794 6.313 210 1HH1 ARG 28 1HH1 ARG 28 0.151 0.236 4.136 211 2HH1 ARG 28 2HH1 ARG 28 -1.199 -0.771 4.544 212 1HH2 ARG 28 1HH2 ARG 28 -2.544 1.478 6.860 213 2HH2 ARG 28 2HH2 ARG 28 -2.731 -0.063 6.093 214 H THR 29 H THR 29 4.098 5.311 2.694 215 HA THR 29 HA THR 29 4.902 6.960 4.886 216 HB THR 29 HB THR 29 6.551 4.938 5.585 217 HG1 THR 29 HG1 THR 29 5.727 3.075 5.044 218 1HG2 THR 29 1HG2 THR 29 5.556 5.125 7.608 219 2HG2 THR 29 2HG2 THR 29 3.943 4.831 6.958 220 3HG2 THR 29 3HG2 THR 29 4.669 6.432 6.824 221 H VAL 30 H VAL 30 7.306 7.203 4.965 222 HA VAL 30 HA VAL 30 8.568 6.558 2.386 223 HB VAL 30 HB VAL 30 8.714 9.223 3.804 224 1HG1 VAL 30 1HG1 VAL 30 10.825 8.971 2.874 225 2HG1 VAL 30 2HG1 VAL 30 10.215 8.075 1.481 226 3HG1 VAL 30 3HG1 VAL 30 9.938 9.813 1.604 227 1HG2 VAL 30 1HG2 VAL 30 7.609 8.623 1.068 228 2HG2 VAL 30 2HG2 VAL 30 6.609 8.702 2.518 229 3HG2 VAL 30 3HG2 VAL 30 7.494 10.129 1.979 230 H TRP 31 H TRP 31 10.775 6.182 2.428 231 HA TRP 31 HA TRP 31 12.226 6.462 4.929 232 1HB TRP 31 2HB TRP 31 10.976 4.159 4.760 233 2HB TRP 31 3HB TRP 31 12.286 3.751 3.655 234 HD1 TRP 31 HD1 TRP 31 11.969 5.175 7.261 235 HE1 TRP 31 HE1 TRP 31 13.860 4.153 8.677 236 HE3 TRP 31 HE3 TRP 31 14.299 2.424 3.637 237 HZ2 TRP 31 HZ2 TRP 31 16.051 2.412 8.305 238 HZ3 TRP 31 HZ3 TRP 31 16.287 1.109 4.249 239 HH2 TRP 31 HH2 TRP 31 17.143 1.105 6.535 240 H ILE 32 H ILE 32 14.495 6.322 4.691 241 HA ILE 32 HA ILE 32 15.432 6.323 1.897 242 HB ILE 32 HB ILE 32 16.660 8.000 4.076 243 1HG1 ILE 32 2HG1 ILE 32 14.326 8.711 3.742 244 2HG1 ILE 32 3HG1 ILE 32 15.459 9.922 3.150 245 1HG2 ILE 32 1HG2 ILE 32 17.182 9.219 1.709 246 2HG2 ILE 32 2HG2 ILE 32 18.255 8.062 2.495 247 3HG2 ILE 32 3HG2 ILE 32 17.158 7.524 1.223 248 1HD1 ILE 32 1HD1 ILE 32 14.242 7.893 1.316 249 2HD1 ILE 32 2HD1 ILE 32 13.412 9.395 1.727 250 3HD1 ILE 32 3HD1 ILE 32 14.981 9.445 0.922 251 H ALA 33 H ALA 33 17.521 5.515 1.507 252 HA ALA 33 HA ALA 33 18.516 3.739 3.631 253 1HB ALA 33 1HB ALA 33 19.283 2.262 1.992 254 2HB ALA 33 2HB ALA 33 17.724 2.814 1.378 255 3HB ALA 33 3HB ALA 33 19.218 3.488 0.725 256 H ARG 34 H ARG 34 20.080 4.770 4.724 257 HA ARG 34 HA ARG 34 21.860 6.646 3.489 258 1HB ARG 34 2HB ARG 34 21.043 6.620 5.928 259 2HB ARG 34 3HB ARG 34 22.265 5.383 6.190 260 1HG ARG 34 2HG ARG 34 23.981 6.971 5.368 261 2HG ARG 34 3HG ARG 34 22.727 8.209 5.265 262 1HD ARG 34 2HD ARG 34 23.914 8.479 7.336 263 2HD ARG 34 3HD ARG 34 22.288 7.894 7.685 264 HE ARG 34 HE ARG 34 23.962 5.676 7.495 265 1HH1 ARG 34 1HH1 ARG 34 23.538 8.473 9.525 266 2HH1 ARG 34 2HH1 ARG 34 24.158 7.698 10.945 267 1HH2 ARG 34 1HH2 ARG 34 24.780 4.645 9.358 268 2HH2 ARG 34 2HH2 ARG 34 24.865 5.521 10.849 269 H ASN 35 H ASN 35 21.934 3.250 4.244 270 HA ASN 35 HA ASN 35 24.616 2.672 4.314 271 1HB ASN 35 2HB ASN 35 22.175 1.222 3.647 272 2HB ASN 35 3HB ASN 35 23.576 0.614 2.770 273 1HD2 ASN 35 1HD2 ASN 35 24.035 -1.221 3.795 274 2HD2 ASN 35 2HD2 ASN 35 24.362 -1.361 5.486 275 HA PRO 36 HA PRO 36 24.787 2.387 -0.502 276 1HB PRO 36 2HB PRO 36 22.629 3.279 -1.888 277 2HB PRO 36 3HB PRO 36 22.795 1.606 -1.340 278 1HG PRO 36 2HG PRO 36 21.247 3.856 -0.115 279 2HG PRO 36 3HG PRO 36 20.771 2.163 -0.338 280 1HD PRO 36 2HD PRO 36 21.653 3.128 2.033 281 2HD PRO 36 3HD PRO 36 21.950 1.457 1.513 282 HA PRO 37 HA PRO 37 25.963 6.545 -1.311 283 1HB PRO 37 2HB PRO 37 25.965 6.675 -4.023 284 2HB PRO 37 3HB PRO 37 27.176 5.774 -3.104 285 1HG PRO 37 2HG PRO 37 24.725 4.771 -4.499 286 2HG PRO 37 3HG PRO 37 26.356 4.077 -4.466 287 1HD PRO 37 2HD PRO 37 24.343 3.140 -2.917 288 2HD PRO 37 3HD PRO 37 26.041 3.112 -2.397 289 H GLY 38 H GLY 38 23.079 5.465 -3.054 290 1HA GLY 38 2HA GLY 38 21.621 7.800 -2.302 291 2HA GLY 38 3HA GLY 38 22.090 7.861 -3.994 292 H PHE 39 H PHE 39 20.286 6.017 -1.593 293 HA PHE 39 HA PHE 39 18.400 5.237 -3.670 294 1HB PHE 39 2HB PHE 39 20.091 3.333 -2.104 295 2HB PHE 39 3HB PHE 39 18.440 2.869 -2.501 296 HD1 PHE 39 HD1 PHE 39 17.822 3.381 -5.069 297 HD2 PHE 39 HD2 PHE 39 21.725 2.638 -3.542 298 HE1 PHE 39 HE1 PHE 39 18.559 2.670 -7.307 299 HE2 PHE 39 HE2 PHE 39 22.468 1.926 -5.777 300 HZ PHE 39 HZ PHE 39 20.884 1.942 -7.663 301 H ALA 40 H ALA 40 16.354 5.346 -2.975 302 HA ALA 40 HA ALA 40 15.839 5.253 -0.082 303 1HB ALA 40 1HB ALA 40 15.527 7.469 -0.146 304 2HB ALA 40 2HB ALA 40 15.411 7.499 -1.906 305 3HB ALA 40 3HB ALA 40 13.999 7.079 -0.936 306 H PHE 41 H PHE 41 13.720 4.606 0.513 307 HA PHE 41 HA PHE 41 12.210 3.293 -1.650 308 1HB PHE 41 2HB PHE 41 12.940 2.309 1.091 309 2HB PHE 41 3HB PHE 41 11.501 1.696 0.282 310 HD1 PHE 41 HD1 PHE 41 15.172 1.960 0.065 311 HD2 PHE 41 HD2 PHE 41 11.655 0.121 -1.472 312 HE1 PHE 41 HE1 PHE 41 16.560 0.343 -1.166 313 HE2 PHE 41 HE2 PHE 41 13.037 -1.499 -2.705 314 HZ PHE 41 HZ PHE 41 15.492 -1.390 -2.552 315 H VAL 42 H VAL 42 9.966 3.335 -1.535 316 HA VAL 42 HA VAL 42 8.755 4.904 0.627 317 HB VAL 42 HB VAL 42 8.315 5.434 -2.315 318 1HG1 VAL 42 1HG1 VAL 42 6.802 7.226 -1.538 319 2HG1 VAL 42 2HG1 VAL 42 6.221 5.612 -1.123 320 3HG1 VAL 42 3HG1 VAL 42 6.974 6.623 0.110 321 1HG2 VAL 42 1HG2 VAL 42 10.404 6.358 -1.267 322 2HG2 VAL 42 2HG2 VAL 42 9.310 7.564 -1.946 323 3HG2 VAL 42 3HG2 VAL 42 9.365 7.306 -0.202 324 H GLU 43 H GLU 43 6.599 4.430 1.060 325 HA GLU 43 HA GLU 43 5.542 2.060 -0.337 326 1HB GLU 43 2HB GLU 43 6.263 1.783 2.088 327 2HB GLU 43 3HB GLU 43 4.917 2.833 2.510 328 1HG GLU 43 2HG GLU 43 3.354 1.256 2.050 329 2HG GLU 43 3HG GLU 43 4.328 0.495 0.792 330 H PHE 44 H PHE 44 3.742 2.390 -1.448 331 HA PHE 44 HA PHE 44 2.115 4.754 -0.833 332 1HB PHE 44 2HB PHE 44 3.032 3.590 -3.272 333 2HB PHE 44 3HB PHE 44 1.273 3.511 -3.252 334 HD1 PHE 44 HD1 PHE 44 3.681 5.322 -4.631 335 HD2 PHE 44 HD2 PHE 44 0.442 5.914 -1.933 336 HE1 PHE 44 HE1 PHE 44 3.573 7.691 -5.285 337 HE2 PHE 44 HE2 PHE 44 0.329 8.283 -2.584 338 HZ PHE 44 HZ PHE 44 1.895 9.175 -4.263 339 H GLU 45 H GLU 45 0.259 4.480 0.199 340 HA GLU 45 HA GLU 45 -0.779 2.090 1.077 341 1HB GLU 45 2HB GLU 45 -1.394 4.577 1.649 342 2HB GLU 45 3HB GLU 45 -2.645 4.342 0.437 343 1HG GLU 45 2HG GLU 45 -3.746 2.739 1.693 344 2HG GLU 45 3HG GLU 45 -2.324 2.388 2.674 345 H ASP 46 H ASP 46 -1.347 3.733 -1.967 346 HA ASP 46 HA ASP 46 -2.897 1.395 -2.865 347 1HB ASP 46 2HB ASP 46 -3.350 4.181 -3.923 348 2HB ASP 46 3HB ASP 46 -4.374 2.760 -4.114 349 HA PRO 47 HA PRO 47 0.034 1.003 -6.113 350 1HB PRO 47 2HB PRO 47 -1.505 -0.180 -8.011 351 2HB PRO 47 3HB PRO 47 -0.943 -1.027 -6.566 352 1HG PRO 47 2HG PRO 47 -3.606 0.228 -7.110 353 2HG PRO 47 3HG PRO 47 -3.238 -1.330 -6.346 354 1HD PRO 47 2HD PRO 47 -3.885 0.878 -4.917 355 2HD PRO 47 3HD PRO 47 -2.769 -0.361 -4.308 356 H ARG 48 H ARG 48 -3.154 2.220 -7.141 357 HA ARG 48 HA ARG 48 -2.480 3.331 -9.566 358 1HB ARG 48 2HB ARG 48 -4.778 3.209 -8.625 359 2HB ARG 48 3HB ARG 48 -4.375 4.534 -7.541 360 1HG ARG 48 2HG ARG 48 -4.578 6.090 -9.152 361 2HG ARG 48 3HG ARG 48 -3.891 5.044 -10.397 362 1HD ARG 48 2HD ARG 48 -6.288 5.607 -10.757 363 2HD ARG 48 3HD ARG 48 -5.966 3.877 -10.651 364 HE ARG 48 HE ARG 48 -6.639 4.796 -8.100 365 1HH1 ARG 48 1HH1 ARG 48 -8.106 4.371 -11.229 366 2HH1 ARG 48 2HH1 ARG 48 -9.698 4.123 -10.593 367 1HH2 ARG 48 1HH2 ARG 48 -8.732 4.472 -7.251 368 2HH2 ARG 48 2HH2 ARG 48 -10.053 4.182 -8.331 369 H ASP 49 H ASP 49 -2.288 4.870 -6.366 370 HA ASP 49 HA ASP 49 -1.337 7.359 -7.216 371 1HB ASP 49 2HB ASP 49 -0.594 6.028 -4.610 372 2HB ASP 49 3HB ASP 49 -0.721 7.754 -4.941 373 H ALA 50 H ALA 50 0.343 4.346 -6.550 374 HA ALA 50 HA ALA 50 2.970 5.463 -6.701 375 1HB ALA 50 1HB ALA 50 3.703 3.407 -6.135 376 2HB ALA 50 2HB ALA 50 2.007 3.147 -5.724 377 3HB ALA 50 3HB ALA 50 2.632 2.593 -7.277 378 H GLU 51 H GLU 51 0.823 3.807 -8.967 379 HA GLU 51 HA GLU 51 2.644 3.491 -11.075 380 1HB GLU 51 2HB GLU 51 0.052 2.781 -10.662 381 2HB GLU 51 3HB GLU 51 -0.146 4.081 -11.830 382 1HG GLU 51 2HG GLU 51 0.745 2.889 -13.514 383 2HG GLU 51 3HG GLU 51 1.930 2.100 -12.475 384 H ASP 52 H ASP 52 0.411 6.139 -10.317 385 HA ASP 52 HA ASP 52 1.124 7.697 -12.599 386 1HB ASP 52 2HB ASP 52 -1.002 7.793 -11.046 387 2HB ASP 52 3HB ASP 52 -0.023 8.934 -10.128 388 H ALA 53 H ALA 53 1.929 7.928 -9.140 389 HA ALA 53 HA ALA 53 3.590 10.159 -9.274 390 1HB ALA 53 1HB ALA 53 3.017 9.535 -7.123 391 2HB ALA 53 2HB ALA 53 3.415 7.838 -7.397 392 3HB ALA 53 3HB ALA 53 4.704 9.029 -7.221 393 H VAL 54 H VAL 54 4.420 6.714 -9.567 394 HA VAL 54 HA VAL 54 7.197 7.125 -9.928 395 HB VAL 54 HB VAL 54 5.421 4.803 -10.674 396 1HG1 VAL 54 1HG1 VAL 54 7.200 4.540 -12.150 397 2HG1 VAL 54 2HG1 VAL 54 8.375 5.188 -11.003 398 3HG1 VAL 54 3HG1 VAL 54 7.689 3.582 -10.753 399 1HG2 VAL 54 1HG2 VAL 54 7.405 4.282 -8.670 400 2HG2 VAL 54 2HG2 VAL 54 6.455 5.698 -8.220 401 3HG2 VAL 54 3HG2 VAL 54 5.649 4.166 -8.557 402 H ARG 55 H ARG 55 4.545 6.576 -12.231 403 HA ARG 55 HA ARG 55 6.000 6.509 -14.583 404 1HB ARG 55 2HB ARG 55 3.214 7.305 -13.880 405 2HB ARG 55 3HB ARG 55 3.803 7.696 -15.491 406 1HG ARG 55 2HG ARG 55 4.257 5.372 -15.938 407 2HG ARG 55 3HG ARG 55 3.812 4.938 -14.286 408 1HD ARG 55 2HD ARG 55 1.536 5.566 -14.662 409 2HD ARG 55 3HD ARG 55 1.934 6.263 -16.232 410 HE ARG 55 HE ARG 55 1.485 3.488 -15.629 411 1HH1 ARG 55 1HH1 ARG 55 3.003 5.739 -17.808 412 2HH1 ARG 55 2HH1 ARG 55 3.037 4.629 -19.139 413 1HH2 ARG 55 1HH2 ARG 55 1.524 2.018 -17.373 414 2HH2 ARG 55 2HH2 ARG 55 2.194 2.513 -18.890 415 H GLY 56 H GLY 56 4.812 9.313 -12.777 416 1HA GLY 56 2HA GLY 56 5.804 11.193 -14.726 417 2HA GLY 56 3HA GLY 56 5.114 11.580 -13.157 418 H LEU 57 H LEU 57 6.664 10.531 -11.326 419 HA LEU 57 HA LEU 57 8.861 12.174 -11.127 420 1HB LEU 57 2HB LEU 57 8.388 9.471 -9.885 421 2HB LEU 57 3HB LEU 57 9.697 10.553 -9.413 422 HG LEU 57 HG LEU 57 6.797 11.339 -9.238 423 1HD1 LEU 57 1HD1 LEU 57 6.786 10.691 -6.944 424 2HD1 LEU 57 2HD1 LEU 57 8.487 10.230 -7.006 425 3HD1 LEU 57 3HD1 LEU 57 7.286 9.291 -7.893 426 1HD2 LEU 57 1HD2 LEU 57 7.517 13.163 -8.028 427 2HD2 LEU 57 2HD2 LEU 57 8.814 12.991 -9.211 428 3HD2 LEU 57 3HD2 LEU 57 9.035 12.393 -7.565 429 H ASP 58 H ASP 58 8.735 8.846 -12.336 430 HA ASP 58 HA ASP 58 11.563 8.844 -12.950 431 1HB ASP 58 2HB ASP 58 10.304 6.802 -12.177 432 2HB ASP 58 3HB ASP 58 9.491 6.792 -13.740 433 H GLY 59 H GLY 59 8.510 9.211 -14.646 434 1HA GLY 59 2HA GLY 59 9.315 8.884 -17.277 435 2HA GLY 59 3HA GLY 59 8.044 9.982 -16.759 436 H LYS 60 H LYS 60 9.590 11.765 -15.236 437 HA LYS 60 HA LYS 60 11.675 12.775 -16.993 438 1HB LYS 60 2HB LYS 60 8.992 13.807 -17.031 439 2HB LYS 60 3HB LYS 60 10.086 15.039 -16.418 440 1HG LYS 60 2HG LYS 60 10.893 13.569 -18.864 441 2HG LYS 60 3HG LYS 60 9.592 14.755 -18.997 442 1HD LYS 60 2HD LYS 60 12.302 15.317 -17.797 443 2HD LYS 60 3HD LYS 60 11.851 15.687 -19.463 444 1HE LYS 60 2HE LYS 60 9.812 16.856 -18.139 445 2HE LYS 60 3HE LYS 60 11.098 17.027 -16.945 446 1HZ LYS 60 1HZ LYS 60 10.828 18.258 -19.575 447 2HZ LYS 60 2HZ LYS 60 12.391 17.828 -19.094 448 3HZ LYS 60 3HZ LYS 60 11.477 18.890 -18.146 449 H VAL 61 H VAL 61 11.936 15.308 -15.917 450 HA VAL 61 HA VAL 61 12.912 14.652 -13.247 451 HB VAL 61 HB VAL 61 14.467 15.739 -14.797 452 1HG1 VAL 61 1HG1 VAL 61 14.127 18.087 -15.445 453 2HG1 VAL 61 2HG1 VAL 61 12.884 17.027 -16.112 454 3HG1 VAL 61 3HG1 VAL 61 12.521 18.043 -14.717 455 1HG2 VAL 61 1HG2 VAL 61 13.832 16.605 -12.155 456 2HG2 VAL 61 2HG2 VAL 61 15.405 16.540 -12.949 457 3HG2 VAL 61 3HG2 VAL 61 14.407 17.988 -13.086 458 H ILE 62 H ILE 62 12.157 15.525 -11.395 459 HA ILE 62 HA ILE 62 9.891 17.395 -11.626 460 HB ILE 62 HB ILE 62 9.105 15.342 -10.702 461 1HG1 ILE 62 2HG1 ILE 62 8.778 17.724 -9.464 462 2HG1 ILE 62 3HG1 ILE 62 7.966 16.247 -8.956 463 1HG2 ILE 62 1HG2 ILE 62 10.120 14.388 -8.628 464 2HG2 ILE 62 2HG2 ILE 62 11.151 14.295 -10.055 465 3HG2 ILE 62 3HG2 ILE 62 11.455 15.523 -8.827 466 1HD1 ILE 62 1HD1 ILE 62 9.537 15.889 -7.216 467 2HD1 ILE 62 2HD1 ILE 62 10.588 17.171 -7.819 468 3HD1 ILE 62 3HD1 ILE 62 9.019 17.572 -7.123 469 H CYS 63 H CYS 63 10.192 19.369 -10.849 470 HA CYS 63 HA CYS 63 11.186 21.159 -9.845 471 1HB CYS 63 2HB CYS 63 10.153 19.597 -7.920 472 2HB CYS 63 3HB CYS 63 11.842 19.563 -7.428 473 HG CYS 63 HG CYS 63 11.615 22.610 -7.816 474 H GLY 64 H GLY 64 12.936 19.889 -11.524 475 1HA GLY 64 2HA GLY 64 15.178 19.902 -12.034 476 2HA GLY 64 3HA GLY 64 15.442 20.777 -10.533 477 H SER 65 H SER 65 13.824 17.736 -10.370 478 HA SER 65 HA SER 65 16.318 16.443 -9.483 479 1HB SER 65 2HB SER 65 13.602 16.130 -8.181 480 2HB SER 65 3HB SER 65 15.102 15.356 -7.669 481 HG SER 65 HG SER 65 14.169 17.816 -7.082 482 H ARG 66 H ARG 66 16.607 15.249 -11.334 483 HA ARG 66 HA ARG 66 14.428 13.627 -12.365 484 1HB ARG 66 2HB ARG 66 15.987 13.009 -14.137 485 2HB ARG 66 3HB ARG 66 15.943 14.755 -13.934 486 1HG ARG 66 2HG ARG 66 17.995 13.836 -12.260 487 2HG ARG 66 3HG ARG 66 18.171 12.965 -13.785 488 1HD ARG 66 2HD ARG 66 17.672 15.487 -14.664 489 2HD ARG 66 3HD ARG 66 18.556 15.811 -13.173 490 HE ARG 66 HE ARG 66 20.009 13.888 -14.505 491 1HH1 ARG 66 1HH1 ARG 66 18.921 17.133 -15.145 492 2HH1 ARG 66 2HH1 ARG 66 20.265 17.522 -16.166 493 1HH2 ARG 66 1HH2 ARG 66 21.784 14.388 -15.847 494 2HH2 ARG 66 2HH2 ARG 66 21.892 15.959 -16.566 495 H VAL 67 H VAL 67 14.933 12.860 -9.819 496 HA VAL 67 HA VAL 67 16.862 10.910 -9.370 497 HB VAL 67 HB VAL 67 15.226 9.977 -7.678 498 1HG1 VAL 67 1HG1 VAL 67 16.294 11.408 -6.361 499 2HG1 VAL 67 2HG1 VAL 67 16.627 12.456 -7.741 500 3HG1 VAL 67 3HG1 VAL 67 15.144 12.667 -6.809 501 1HG2 VAL 67 1HG2 VAL 67 13.533 12.378 -8.165 502 2HG2 VAL 67 2HG2 VAL 67 13.271 10.940 -9.152 503 3HG2 VAL 67 3HG2 VAL 67 13.121 10.844 -7.398 504 H ARG 68 H ARG 68 16.094 8.530 -8.822 505 HA ARG 68 HA ARG 68 14.893 7.483 -11.296 506 1HB ARG 68 2HB ARG 68 17.300 6.895 -10.708 507 2HB ARG 68 3HB ARG 68 16.642 5.950 -9.378 508 1HG ARG 68 2HG ARG 68 16.860 4.336 -10.976 509 2HG ARG 68 3HG ARG 68 15.201 4.860 -11.277 510 1HD ARG 68 2HD ARG 68 16.892 6.556 -12.771 511 2HD ARG 68 3HD ARG 68 17.455 4.906 -13.035 512 HE ARG 68 HE ARG 68 14.710 4.837 -13.317 513 1HH1 ARG 68 1HH1 ARG 68 17.392 6.442 -14.851 514 2HH1 ARG 68 2HH1 ARG 68 16.620 6.533 -16.400 515 1HH2 ARG 68 1HH2 ARG 68 13.684 4.951 -15.351 516 2HH2 ARG 68 2HH2 ARG 68 14.511 5.685 -16.682 517 H VAL 69 H VAL 69 12.787 7.127 -10.926 518 HA VAL 69 HA VAL 69 12.025 5.751 -8.435 519 HB VAL 69 HB VAL 69 10.249 7.366 -10.270 520 1HG1 VAL 69 1HG1 VAL 69 9.779 5.710 -7.864 521 2HG1 VAL 69 2HG1 VAL 69 8.912 7.244 -7.959 522 3HG1 VAL 69 3HG1 VAL 69 8.724 6.043 -9.237 523 1HG2 VAL 69 1HG2 VAL 69 11.993 8.133 -8.051 524 2HG2 VAL 69 2HG2 VAL 69 11.262 9.123 -9.314 525 3HG2 VAL 69 3HG2 VAL 69 10.328 8.691 -7.882 526 H GLU 70 H GLU 70 10.766 3.918 -8.511 527 HA GLU 70 HA GLU 70 9.569 2.934 -10.899 528 1HB GLU 70 2HB GLU 70 12.307 2.430 -10.688 529 2HB GLU 70 3HB GLU 70 11.541 0.931 -10.178 530 1HG GLU 70 2HG GLU 70 10.105 1.319 -12.348 531 2HG GLU 70 3HG GLU 70 11.506 2.278 -12.824 532 H LEU 71 H LEU 71 8.719 0.681 -10.585 533 HA LEU 71 HA LEU 71 8.014 0.303 -7.754 534 1HB LEU 71 2HB LEU 71 6.549 -0.601 -10.229 535 2HB LEU 71 3HB LEU 71 6.016 -0.849 -8.568 536 HG LEU 71 HG LEU 71 6.374 1.874 -9.808 537 1HD1 LEU 71 1HD1 LEU 71 4.200 -0.075 -10.063 538 2HD1 LEU 71 2HD1 LEU 71 4.591 1.331 -11.052 539 3HD1 LEU 71 3HD1 LEU 71 3.693 1.533 -9.548 540 1HD2 LEU 71 1HD2 LEU 71 5.471 0.826 -7.190 541 2HD2 LEU 71 2HD2 LEU 71 4.580 2.194 -7.859 542 3HD2 LEU 71 3HD2 LEU 71 6.318 2.321 -7.585 543 H SER 72 H SER 72 9.218 -1.231 -6.847 544 HA SER 72 HA SER 72 10.425 -3.350 -8.341 545 1HB SER 72 2HB SER 72 11.658 -2.604 -6.463 546 2HB SER 72 3HB SER 72 10.257 -2.715 -5.398 547 HG SER 72 HG SER 72 11.872 -4.461 -5.265 548 H THR 73 H THR 73 7.474 -2.950 -6.580 549 HA THR 73 HA THR 73 6.675 -5.657 -7.332 550 HB THR 73 HB THR 73 6.048 -4.703 -4.551 551 HG1 THR 73 HG1 THR 73 8.395 -5.957 -5.502 552 1HG2 THR 73 1HG2 THR 73 6.422 -7.554 -5.234 553 2HG2 THR 73 2HG2 THR 73 5.035 -6.754 -5.972 554 3HG2 THR 73 3HG2 THR 73 5.206 -6.782 -4.217 555 H GLY 74 H GLY 74 4.505 -5.881 -7.765 556 1HA GLY 74 2HA GLY 74 2.227 -5.228 -7.692 557 2HA GLY 74 3HA GLY 74 2.729 -3.628 -7.166 558 H MET 75 H MET 75 4.349 -5.136 -9.834 559 HA MET 75 HA MET 75 2.914 -3.342 -11.680 560 1HB MET 75 2HB MET 75 5.226 -2.591 -11.222 561 2HB MET 75 3HB MET 75 5.828 -4.139 -11.799 562 1HG MET 75 2HG MET 75 5.397 -3.652 -13.989 563 2HG MET 75 3HG MET 75 4.092 -2.534 -13.597 564 1HE MET 75 1HE MET 75 5.317 -0.136 -15.246 565 2HE MET 75 2HE MET 75 6.884 -0.815 -15.687 566 3HE MET 75 3HE MET 75 5.442 -1.831 -15.719 567 HA PRO 76 HA PRO 76 2.201 -7.593 -13.235 568 1HB PRO 76 2HB PRO 76 -0.233 -7.018 -14.293 569 2HB PRO 76 3HB PRO 76 0.001 -7.437 -12.591 570 1HG PRO 76 2HG PRO 76 -0.313 -4.740 -13.852 571 2HG PRO 76 3HG PRO 76 -1.038 -5.369 -12.361 572 1HD PRO 76 2HD PRO 76 1.124 -3.738 -12.355 573 2HD PRO 76 3HD PRO 76 0.872 -4.994 -11.126 574 H ARG 77 H ARG 77 3.263 -8.050 -15.053 575 HA ARG 77 HA ARG 77 2.566 -6.622 -17.504 576 1HB ARG 77 2HB ARG 77 4.879 -5.990 -16.143 577 2HB ARG 77 3HB ARG 77 5.434 -7.170 -17.322 578 1HG ARG 77 2HG ARG 77 5.076 -5.793 -19.076 579 2HG ARG 77 3HG ARG 77 3.665 -5.035 -18.335 580 1HD ARG 77 2HD ARG 77 4.929 -3.514 -17.162 581 2HD ARG 77 3HD ARG 77 6.355 -4.551 -17.148 582 HE ARG 77 HE ARG 77 6.994 -3.656 -19.162 583 1HH1 ARG 77 1HH1 ARG 77 3.692 -2.778 -18.496 584 2HH1 ARG 77 2HH1 ARG 77 3.590 -1.651 -19.808 585 1HH2 ARG 77 1HH2 ARG 77 6.872 -2.175 -20.893 586 2HH2 ARG 77 2HH2 ARG 77 5.399 -1.310 -21.171 587 H ARG 78 H ARG 78 3.931 -7.735 -19.384 588 HA ARG 78 HA ARG 78 3.069 -10.462 -19.408 589 1HB ARG 78 2HB ARG 78 4.018 -10.505 -21.685 590 2HB ARG 78 3HB ARG 78 2.957 -9.126 -21.434 591 1HG ARG 78 2HG ARG 78 4.638 -8.007 -22.417 592 2HG ARG 78 3HG ARG 78 5.317 -8.015 -20.788 593 1HD ARG 78 2HD ARG 78 7.052 -8.725 -22.225 594 2HD ARG 78 3HD ARG 78 6.463 -10.176 -21.415 595 HE ARG 78 HE ARG 78 5.089 -9.870 -23.840 596 1HH1 ARG 78 1HH1 ARG 78 8.275 -10.610 -22.647 597 2HH1 ARG 78 2HH1 ARG 78 8.706 -11.576 -24.019 598 1HH2 ARG 78 1HH2 ARG 78 5.645 -11.141 -25.651 599 2HH2 ARG 78 2HH2 ARG 78 7.210 -11.877 -25.727 600 H SER 79 H SER 79 5.808 -8.965 -18.220 601 HA SER 79 HA SER 79 7.831 -10.808 -18.927 602 1HB SER 79 2HB SER 79 7.745 -8.412 -17.557 603 2HB SER 79 3HB SER 79 8.158 -9.571 -16.293 604 HG SER 79 HG SER 79 9.515 -9.190 -18.757 605 H ARG 80 H ARG 80 8.060 -12.853 -18.339 606 HA ARG 80 HA ARG 80 6.470 -13.925 -16.160 607 1HB ARG 80 2HB ARG 80 8.340 -15.312 -18.090 608 2HB ARG 80 3HB ARG 80 7.269 -16.113 -16.948 609 1HG ARG 80 2HG ARG 80 5.696 -14.334 -18.484 610 2HG ARG 80 3HG ARG 80 6.724 -15.243 -19.594 611 1HD ARG 80 2HD ARG 80 5.729 -17.225 -19.108 612 2HD ARG 80 3HD ARG 80 5.408 -16.776 -17.433 613 HE ARG 80 HE ARG 80 3.341 -16.058 -18.076 614 1HH1 ARG 80 1HH1 ARG 80 5.386 -16.237 -20.888 615 2HH1 ARG 80 2HH1 ARG 80 4.107 -15.882 -22.002 616 1HH2 ARG 80 1HH2 ARG 80 1.649 -15.590 -19.532 617 2HH2 ARG 80 2HH2 ARG 80 1.982 -15.513 -21.229 618 H PHE 81 H PHE 81 8.051 -12.330 -14.884 619 HA PHE 81 HA PHE 81 10.653 -13.202 -14.270 620 1HB PHE 81 2HB PHE 81 8.900 -11.118 -13.439 621 2HB PHE 81 3HB PHE 81 9.512 -11.914 -11.993 622 HD1 PHE 81 HD1 PHE 81 11.324 -10.878 -11.065 623 HD2 PHE 81 HD2 PHE 81 10.918 -10.901 -15.302 624 HE1 PHE 81 HE1 PHE 81 13.434 -9.628 -11.271 625 HE2 PHE 81 HE2 PHE 81 13.028 -9.652 -15.514 626 HZ PHE 81 HZ PHE 81 14.289 -9.015 -13.497 627 H ASP 82 H ASP 82 11.391 -14.055 -12.174 628 HA ASP 82 HA ASP 82 10.209 -16.526 -11.583 629 1HB ASP 82 2HB ASP 82 12.628 -15.737 -11.178 630 2HB ASP 82 3HB ASP 82 12.015 -15.063 -9.670 631 H ARG 83 H ARG 83 10.097 -13.431 -9.856 632 HA ARG 83 HA ARG 83 8.077 -14.553 -8.045 633 1HB ARG 83 2HB ARG 83 10.286 -13.013 -7.500 634 2HB ARG 83 3HB ARG 83 8.997 -11.817 -7.527 635 1HG ARG 83 2HG ARG 83 8.696 -12.372 -5.389 636 2HG ARG 83 3HG ARG 83 7.889 -13.807 -6.024 637 1HD ARG 83 2HD ARG 83 10.102 -14.966 -5.997 638 2HD ARG 83 3HD ARG 83 10.771 -13.555 -5.178 639 HE ARG 83 HE ARG 83 9.857 -14.327 -3.240 640 1HH1 ARG 83 1HH1 ARG 83 8.159 -15.772 -5.914 641 2HH1 ARG 83 2HH1 ARG 83 7.186 -16.796 -4.911 642 1HH2 ARG 83 1HH2 ARG 83 8.582 -15.671 -1.909 643 2HH2 ARG 83 2HH2 ARG 83 7.426 -16.737 -2.634 644 HA PRO 84 HA PRO 84 4.993 -12.407 -10.414 645 1HB PRO 84 2HB PRO 84 2.914 -12.933 -8.750 646 2HB PRO 84 3HB PRO 84 3.590 -14.138 -9.853 647 1HG PRO 84 2HG PRO 84 4.085 -13.763 -6.925 648 2HG PRO 84 3HG PRO 84 3.823 -15.264 -7.832 649 1HD PRO 84 2HD PRO 84 6.287 -14.422 -7.088 650 2HD PRO 84 3HD PRO 84 6.001 -15.339 -8.581 651 HA PRO 85 HA PRO 85 4.620 -8.441 -8.539 652 1HB PRO 85 2HB PRO 85 2.323 -7.563 -9.689 653 2HB PRO 85 3HB PRO 85 3.849 -7.697 -10.571 654 1HG PRO 85 2HG PRO 85 1.518 -9.575 -10.522 655 2HG PRO 85 3HG PRO 85 2.492 -9.035 -11.903 656 1HD PRO 85 2HD PRO 85 2.860 -11.438 -10.711 657 2HD PRO 85 3HD PRO 85 4.191 -10.524 -11.446 658 H ALA 86 H ALA 86 3.442 -7.237 -6.997 659 HA ALA 86 HA ALA 86 1.584 -8.861 -5.423 660 1HB ALA 86 1HB ALA 86 1.993 -7.160 -3.650 661 2HB ALA 86 2HB ALA 86 3.445 -8.012 -4.178 662 3HB ALA 86 3HB ALA 86 3.134 -6.369 -4.739 663 H ARG 87 H ARG 87 -0.298 -8.583 -6.664 664 HA ARG 87 HA ARG 87 -1.665 -6.066 -6.156 665 1HB ARG 87 2HB ARG 87 -2.498 -6.382 -8.690 666 2HB ARG 87 3HB ARG 87 -1.135 -5.362 -8.249 667 1HG ARG 87 2HG ARG 87 -0.667 -6.809 -10.180 668 2HG ARG 87 3HG ARG 87 0.418 -7.111 -8.822 669 1HD ARG 87 2HD ARG 87 -0.348 -9.204 -8.515 670 2HD ARG 87 3HD ARG 87 -2.019 -8.745 -8.837 671 HE ARG 87 HE ARG 87 -0.813 -8.635 -11.277 672 1HH1 ARG 87 1HH1 ARG 87 -1.126 -11.068 -8.806 673 2HH1 ARG 87 2HH1 ARG 87 -1.077 -12.392 -9.922 674 1HH2 ARG 87 1HH2 ARG 87 -0.747 -10.370 -12.755 675 2HH2 ARG 87 2HH2 ARG 87 -0.861 -11.995 -12.168 676 H ARG 88 H ARG 88 -1.792 -8.978 -5.396 677 HA ARG 88 HA ARG 88 -3.922 -10.319 -6.524 678 1HB ARG 88 2HB ARG 88 -4.170 -11.461 -4.358 679 2HB ARG 88 3HB ARG 88 -2.483 -11.329 -4.839 680 1HG ARG 88 2HG ARG 88 -3.067 -9.045 -3.299 681 2HG ARG 88 3HG ARG 88 -3.749 -10.432 -2.447 682 1HD ARG 88 2HD ARG 88 -1.602 -11.570 -2.542 683 2HD ARG 88 3HD ARG 88 -0.914 -10.230 -3.458 684 HE ARG 88 HE ARG 88 -2.003 -9.395 -0.951 685 1HH1 ARG 88 1HH1 ARG 88 0.773 -10.834 -2.481 686 2HH1 ARG 88 2HH1 ARG 88 1.881 -10.319 -1.252 687 1HH2 ARG 88 1HH2 ARG 88 -0.555 -8.711 0.674 688 2HH2 ARG 88 2HH2 ARG 88 1.124 -9.112 0.542 689 H LYS 89 H LYS 89 -6.002 -9.861 -6.742 690 HA LYS 89 HA LYS 89 -7.523 -8.637 -4.636 691 1HB LYS 89 2HB LYS 89 -6.301 -6.846 -6.284 692 2HB LYS 89 3HB LYS 89 -7.828 -7.083 -7.124 693 1HG LYS 89 2HG LYS 89 -9.031 -6.047 -5.519 694 2HG LYS 89 3HG LYS 89 -7.993 -6.624 -4.213 695 1HD LYS 89 2HD LYS 89 -6.771 -4.754 -4.237 696 2HD LYS 89 3HD LYS 89 -6.607 -4.796 -5.994 697 1HE LYS 89 2HE LYS 89 -7.794 -2.854 -5.733 698 2HE LYS 89 3HE LYS 89 -9.112 -4.009 -5.924 699 1HZ LYS 89 1HZ LYS 89 -8.271 -3.722 -3.200 700 2HZ LYS 89 2HZ LYS 89 -9.823 -3.621 -3.866 701 3HZ LYS 89 3HZ LYS 89 -8.814 -2.263 -3.863 702 H LEU 90 H LEU 90 -9.773 -7.880 -5.944 703 HA LEU 90 HA LEU 90 -10.561 -10.320 -7.397 704 1HB LEU 90 2HB LEU 90 -11.528 -9.980 -5.096 705 2HB LEU 90 3HB LEU 90 -12.366 -8.570 -5.741 706 HG LEU 90 HG LEU 90 -13.027 -10.678 -7.459 707 1HD1 LEU 90 1HD1 LEU 90 -13.382 -11.545 -4.598 708 2HD1 LEU 90 2HD1 LEU 90 -12.139 -12.182 -5.674 709 3HD1 LEU 90 3HD1 LEU 90 -13.843 -12.424 -6.056 710 1HD2 LEU 90 1HD2 LEU 90 -14.535 -8.915 -6.949 711 2HD2 LEU 90 2HD2 LEU 90 -14.502 -9.295 -5.227 712 3HD2 LEU 90 3HD2 LEU 90 -15.271 -10.406 -6.361 713 H LEU 91 H LEU 91 -9.488 -7.925 -8.595 714 HA LEU 91 HA LEU 91 -11.842 -7.064 -10.145 715 1HB LEU 91 2HB LEU 91 -10.479 -5.396 -8.599 716 2HB LEU 91 3HB LEU 91 -9.424 -5.342 -10.009 717 HG LEU 91 HG LEU 91 -11.006 -3.486 -10.002 718 1HD1 LEU 91 1HD1 LEU 91 -11.879 -5.355 -12.175 719 2HD1 LEU 91 2HD1 LEU 91 -10.238 -4.710 -12.122 720 3HD1 LEU 91 3HD1 LEU 91 -11.613 -3.613 -12.246 721 1HD2 LEU 91 1HD2 LEU 91 -13.278 -5.359 -10.470 722 2HD2 LEU 91 2HD2 LEU 91 -13.290 -3.696 -9.882 723 3HD2 LEU 91 3HD2 LEU 91 -12.779 -5.005 -8.816 724 H GLU 92 H GLU 92 -8.430 -7.914 -10.181 725 HA GLU 92 HA GLU 92 -7.974 -7.543 -12.936 726 1HB GLU 92 2HB GLU 92 -6.246 -7.885 -11.095 727 2HB GLU 92 3HB GLU 92 -6.601 -9.602 -11.215 728 1HG GLU 92 2HG GLU 92 -6.138 -9.022 -13.806 729 2HG GLU 92 3HG GLU 92 -5.081 -7.851 -13.019 730 H VAL 93 H VAL 93 -9.541 -10.056 -11.145 731 HA VAL 93 HA VAL 93 -9.510 -11.881 -13.427 732 HB VAL 93 HB VAL 93 -10.806 -12.327 -10.738 733 1HG1 VAL 93 1HG1 VAL 93 -10.292 -14.755 -11.489 734 2HG1 VAL 93 2HG1 VAL 93 -11.683 -13.916 -12.178 735 3HG1 VAL 93 3HG1 VAL 93 -10.186 -14.052 -13.102 736 1HG2 VAL 93 1HG2 VAL 93 -8.610 -13.833 -10.588 737 2HG2 VAL 93 2HG2 VAL 93 -7.977 -12.531 -11.595 738 3HG2 VAL 93 3HG2 VAL 93 -8.659 -12.167 -10.010 739 H LEU 94 H LEU 94 -11.423 -12.689 -14.375 740 HA LEU 94 HA LEU 94 -14.000 -11.670 -13.681 741 1HB LEU 94 2HB LEU 94 -12.810 -9.769 -14.910 742 2HB LEU 94 3HB LEU 94 -12.953 -10.776 -16.350 743 HG LEU 94 HG LEU 94 -15.494 -10.431 -14.973 744 1HD1 LEU 94 1HD1 LEU 94 -14.695 -8.283 -14.334 745 2HD1 LEU 94 2HD1 LEU 94 -15.752 -8.057 -15.726 746 3HD1 LEU 94 3HD1 LEU 94 -14.002 -7.998 -15.931 747 1HD2 LEU 94 1HD2 LEU 94 -16.302 -10.110 -17.158 748 2HD2 LEU 94 2HD2 LEU 94 -15.006 -11.297 -17.312 749 3HD2 LEU 94 3HD2 LEU 94 -14.719 -9.615 -17.760 750 H PHE 95 H PHE 95 -15.671 -12.359 -15.317 751 HA PHE 95 HA PHE 95 -14.820 -14.859 -16.624 752 1HB PHE 95 2HB PHE 95 -17.124 -14.241 -14.861 753 2HB PHE 95 3HB PHE 95 -17.445 -15.303 -16.228 754 HD1 PHE 95 HD1 PHE 95 -14.505 -14.972 -13.960 755 HD2 PHE 95 HD2 PHE 95 -17.619 -17.460 -15.455 756 HE1 PHE 95 HE1 PHE 95 -13.591 -16.872 -12.692 757 HE2 PHE 95 HE2 PHE 95 -16.711 -19.363 -14.188 758 HZ PHE 95 HZ PHE 95 -14.695 -19.071 -12.804 759 H ASN 96 H ASN 96 -14.958 -14.790 -18.757 760 HA ASN 96 HA ASN 96 -17.049 -13.110 -19.979 761 1HB ASN 96 2HB ASN 96 -14.331 -13.696 -21.168 762 2HB ASN 96 3HB ASN 96 -15.550 -12.592 -21.799 763 1HD2 ASN 96 1HD2 ASN 96 -13.218 -13.137 -19.258 764 2HD2 ASN 96 2HD2 ASN 96 -13.100 -11.490 -18.748 765 H GLY 97 H GLY 97 -17.144 -15.948 -19.243 766 1HA GLY 97 2HA GLY 97 -18.027 -17.868 -20.146 767 2HA GLY 97 3HA GLY 97 -18.317 -16.953 -21.618 768 HA PRO 98 HA PRO 98 -13.824 -18.702 -22.010 769 1HB PRO 98 2HB PRO 98 -13.037 -20.473 -20.109 770 2HB PRO 98 3HB PRO 98 -12.772 -18.732 -19.967 771 1HG PRO 98 2HG PRO 98 -14.914 -20.428 -18.743 772 2HG PRO 98 3HG PRO 98 -13.966 -19.121 -18.010 773 1HD PRO 98 2HD PRO 98 -16.496 -18.761 -18.903 774 2HD PRO 98 3HD PRO 98 -15.275 -17.474 -18.951 775 H LEU 99 H LEU 99 -16.504 -20.595 -20.870 776 HA LEU 99 HA LEU 99 -15.676 -23.084 -21.991 777 1HB LEU 99 2HB LEU 99 -17.871 -23.865 -21.476 778 2HB LEU 99 3HB LEU 99 -17.312 -22.855 -20.144 779 HG LEU 99 HG LEU 99 -18.967 -21.529 -22.209 780 1HD1 LEU 99 1HD1 LEU 99 -20.454 -23.027 -20.129 781 2HD1 LEU 99 2HD1 LEU 99 -19.894 -23.925 -21.539 782 3HD1 LEU 99 3HD1 LEU 99 -20.952 -22.530 -21.746 783 1HD2 LEU 99 1HD2 LEU 99 -18.037 -21.013 -19.602 784 2HD2 LEU 99 2HD2 LEU 99 -19.789 -21.183 -19.491 785 3HD2 LEU 99 3HD2 LEU 99 -19.085 -20.006 -20.601 786 H GLU 100 H GLU 100 -16.422 -24.112 -23.865 787 HA GLU 100 HA GLU 100 -17.116 -22.268 -26.014 788 1HB GLU 100 2HB GLU 100 -16.486 -24.045 -27.525 789 2HB GLU 100 3HB GLU 100 -15.237 -23.860 -26.302 790 1HG GLU 100 2HG GLU 100 -16.829 -25.750 -25.169 791 2HG GLU 100 3HG GLU 100 -16.986 -26.130 -26.883 792 H HIS 101 H HIS 101 -18.886 -23.755 -23.834 793 HA HIS 101 HA HIS 101 -21.062 -24.404 -23.690 794 1HB HIS 101 2HB HIS 101 -20.940 -22.645 -25.941 795 2HB HIS 101 3HB HIS 101 -22.066 -23.948 -26.309 796 HD1 HIS 101 HD1 HIS 101 -23.271 -24.316 -23.472 797 HD2 HIS 101 HD2 HIS 101 -22.714 -20.653 -25.352 798 HE1 HIS 101 HE1 HIS 101 -24.908 -22.747 -22.385 Start of MODEL 11 1 1H MET 1 H MET 1 0.130 -0.170 -1.214 2 HA MET 1 HA MET 1 1.746 -1.121 -3.232 3 1HB MET 1 2HB MET 1 0.256 1.150 -2.826 4 2HB MET 1 3HB MET 1 1.892 1.791 -2.912 5 1HG MET 1 2HG MET 1 0.895 1.836 -5.093 6 2HG MET 1 3HG MET 1 2.200 0.652 -5.069 7 1HE MET 1 1HE MET 1 -1.417 1.161 -4.265 8 2HE MET 1 2HE MET 1 -2.288 -0.136 -5.084 9 3HE MET 1 3HE MET 1 -1.520 -0.437 -3.524 10 H LYS 2 H LYS 2 3.887 -1.052 -3.731 11 HA LYS 2 HA LYS 2 5.687 0.003 -1.650 12 1HB LYS 2 2HB LYS 2 5.825 -2.457 -3.356 13 2HB LYS 2 3HB LYS 2 7.308 -1.728 -2.756 14 1HG LYS 2 2HG LYS 2 6.928 -2.373 -0.626 15 2HG LYS 2 3HG LYS 2 5.178 -2.187 -0.765 16 1HD LYS 2 2HD LYS 2 4.877 -4.311 -1.522 17 2HD LYS 2 3HD LYS 2 6.432 -4.349 -2.357 18 1HE LYS 2 2HE LYS 2 7.266 -4.216 0.202 19 2HE LYS 2 3HE LYS 2 5.743 -5.077 0.419 20 1HZ LYS 2 1HZ LYS 2 6.587 -6.569 -1.450 21 2HZ LYS 2 2HZ LYS 2 7.302 -6.745 0.073 22 3HZ LYS 2 3HZ LYS 2 8.109 -5.895 -1.147 23 H VAL 3 H VAL 3 7.073 1.550 -2.220 24 HA VAL 3 HA VAL 3 7.581 1.979 -5.093 25 HB VAL 3 HB VAL 3 7.678 4.253 -3.152 26 1HG1 VAL 3 1HG1 VAL 3 6.602 5.111 -5.527 27 2HG1 VAL 3 2HG1 VAL 3 8.305 5.207 -5.075 28 3HG1 VAL 3 3HG1 VAL 3 7.722 3.849 -6.040 29 1HG2 VAL 3 1HG2 VAL 3 5.511 3.260 -2.732 30 2HG2 VAL 3 2HG2 VAL 3 5.312 4.754 -3.649 31 3HG2 VAL 3 3HG2 VAL 3 5.175 3.195 -4.462 32 H TYR 4 H TYR 4 9.649 2.569 -5.707 33 HA TYR 4 HA TYR 4 11.697 2.564 -3.593 34 1HB TYR 4 2HB TYR 4 12.413 0.595 -4.393 35 2HB TYR 4 3HB TYR 4 11.359 0.703 -5.799 36 HD1 TYR 4 HD1 TYR 4 12.249 1.143 -7.921 37 HD2 TYR 4 HD2 TYR 4 14.634 1.854 -4.470 38 HE1 TYR 4 HE1 TYR 4 14.202 1.541 -9.361 39 HE2 TYR 4 HE2 TYR 4 16.594 2.255 -5.901 40 HH TYR 4 HH TYR 4 16.682 1.441 -9.169 41 H VAL 5 H VAL 5 12.799 4.397 -3.602 42 HA VAL 5 HA VAL 5 13.216 5.782 -6.172 43 HB VAL 5 HB VAL 5 13.276 7.909 -4.874 44 1HG1 VAL 5 1HG1 VAL 5 11.224 8.001 -5.733 45 2HG1 VAL 5 2HG1 VAL 5 10.968 6.273 -5.481 46 3HG1 VAL 5 3HG1 VAL 5 10.635 7.414 -4.178 47 1HG2 VAL 5 1HG2 VAL 5 12.000 7.689 -2.611 48 2HG2 VAL 5 2HG2 VAL 5 12.603 6.031 -2.649 49 3HG2 VAL 5 3HG2 VAL 5 13.736 7.382 -2.674 50 H GLY 6 H GLY 6 15.273 5.310 -6.698 51 1HA GLY 6 2HA GLY 6 17.332 5.770 -4.627 52 2HA GLY 6 3HA GLY 6 17.472 4.517 -5.852 53 H ASN 7 H ASN 7 19.508 5.458 -6.435 54 HA ASN 7 HA ASN 7 20.863 6.709 -7.765 55 1HB ASN 7 2HB ASN 7 18.179 7.119 -9.034 56 2HB ASN 7 3HB ASN 7 19.560 8.047 -9.612 57 1HD2 ASN 7 1HD2 ASN 7 18.778 4.702 -8.716 58 2HD2 ASN 7 2HD2 ASN 7 19.585 3.975 -10.060 59 H LEU 8 H LEU 8 20.827 7.856 -5.488 60 HA LEU 8 HA LEU 8 20.496 10.716 -6.050 61 1HB LEU 8 2HB LEU 8 19.919 9.728 -3.303 62 2HB LEU 8 3HB LEU 8 19.347 11.182 -4.119 63 HG LEU 8 HG LEU 8 18.122 9.246 -5.579 64 1HD1 LEU 8 1HD1 LEU 8 18.489 8.212 -2.787 65 2HD1 LEU 8 2HD1 LEU 8 18.731 7.373 -4.318 66 3HD1 LEU 8 3HD1 LEU 8 17.099 7.760 -3.774 67 1HD2 LEU 8 1HD2 LEU 8 16.137 9.992 -4.595 68 2HD2 LEU 8 2HD2 LEU 8 17.250 11.348 -4.407 69 3HD2 LEU 8 3HD2 LEU 8 16.912 10.288 -3.038 70 H GLY 9 H GLY 9 22.337 11.772 -5.728 71 1HA GLY 9 2HA GLY 9 24.586 10.476 -4.504 72 2HA GLY 9 3HA GLY 9 24.552 12.104 -5.165 73 H THR 10 H THR 10 23.935 13.839 -3.839 74 HA THR 10 HA THR 10 23.443 13.298 -1.017 75 HB THR 10 HB THR 10 25.245 14.673 -0.208 76 HG1 THR 10 HG1 THR 10 25.600 15.222 -2.951 77 1HG2 THR 10 1HG2 THR 10 25.770 12.311 -0.620 78 2HG2 THR 10 2HG2 THR 10 27.185 13.337 -0.857 79 3HG2 THR 10 3HG2 THR 10 26.302 12.716 -2.251 80 H GLY 11 H GLY 11 22.090 14.568 -3.399 81 1HA GLY 11 2HA GLY 11 21.593 17.208 -2.164 82 2HA GLY 11 3HA GLY 11 21.544 16.938 -3.900 83 H ALA 12 H ALA 12 20.238 14.230 -3.159 84 HA ALA 12 HA ALA 12 17.549 15.278 -2.574 85 1HB ALA 12 1HB ALA 12 17.907 14.852 -5.020 86 2HB ALA 12 2HB ALA 12 18.101 13.144 -4.626 87 3HB ALA 12 3HB ALA 12 16.572 13.957 -4.295 88 H GLY 13 H GLY 13 17.144 14.466 -0.602 89 1HA GLY 13 2HA GLY 13 17.505 11.555 -0.246 90 2HA GLY 13 3HA GLY 13 17.870 12.699 1.036 91 H LYS 14 H LYS 14 16.387 12.578 2.574 92 HA LYS 14 HA LYS 14 13.777 11.552 2.169 93 1HB LYS 14 2HB LYS 14 15.255 11.694 4.332 94 2HB LYS 14 3HB LYS 14 14.472 13.255 4.533 95 1HG LYS 14 2HG LYS 14 12.455 12.341 5.015 96 2HG LYS 14 3HG LYS 14 12.723 10.930 3.988 97 1HD LYS 14 2HD LYS 14 12.857 9.970 6.069 98 2HD LYS 14 3HD LYS 14 14.553 10.369 5.789 99 1HE LYS 14 2HE LYS 14 14.284 12.426 7.077 100 2HE LYS 14 3HE LYS 14 12.582 12.050 7.337 101 1HZ LYS 14 1HZ LYS 14 14.152 11.471 9.199 102 2HZ LYS 14 2HZ LYS 14 14.756 10.239 8.209 103 3HZ LYS 14 3HZ LYS 14 13.132 10.224 8.683 104 H GLY 15 H GLY 15 14.952 14.850 2.844 105 1HA GLY 15 2HA GLY 15 12.460 16.127 2.751 106 2HA GLY 15 3HA GLY 15 14.007 16.901 2.441 107 H GLU 16 H GLU 16 14.760 15.404 0.163 108 HA GLU 16 HA GLU 16 13.413 16.865 -1.851 109 1HB GLU 16 2HB GLU 16 15.783 15.400 -1.658 110 2HB GLU 16 3HB GLU 16 14.832 14.550 -2.868 111 1HG GLU 16 2HG GLU 16 16.333 16.258 -3.819 112 2HG GLU 16 3HG GLU 16 14.633 16.533 -4.195 113 H LEU 17 H LEU 17 13.527 13.350 -1.243 114 HA LEU 17 HA LEU 17 11.574 12.663 -3.136 115 1HB LEU 17 2HB LEU 17 11.816 10.536 -2.391 116 2HB LEU 17 3HB LEU 17 13.273 11.239 -1.691 117 HG LEU 17 HG LEU 17 11.648 11.608 0.376 118 1HD1 LEU 17 1HD1 LEU 17 9.622 10.766 -0.234 119 2HD1 LEU 17 2HD1 LEU 17 10.354 9.305 0.427 120 3HD1 LEU 17 3HD1 LEU 17 10.320 9.562 -1.317 121 1HD2 LEU 17 1HD2 LEU 17 13.709 10.404 0.531 122 2HD2 LEU 17 2HD2 LEU 17 13.047 9.049 -0.384 123 3HD2 LEU 17 3HD2 LEU 17 12.439 9.402 1.234 124 H GLU 18 H GLU 18 11.328 13.833 0.132 125 HA GLU 18 HA GLU 18 8.618 13.072 0.567 126 1HB GLU 18 2HB GLU 18 10.029 13.524 2.465 127 2HB GLU 18 3HB GLU 18 10.364 15.151 1.889 128 1HG GLU 18 2HG GLU 18 8.213 15.904 2.410 129 2HG GLU 18 3HG GLU 18 7.582 14.265 2.560 130 H ARG 19 H ARG 19 10.165 16.138 -0.360 131 HA ARG 19 HA ARG 19 7.808 17.644 -0.587 132 1HB ARG 19 2HB ARG 19 9.919 18.772 -0.489 133 2HB ARG 19 3HB ARG 19 10.498 17.934 -1.923 134 1HG ARG 19 2HG ARG 19 9.467 19.351 -3.330 135 2HG ARG 19 3HG ARG 19 8.049 19.516 -2.292 136 1HD ARG 19 2HD ARG 19 9.002 21.629 -2.204 137 2HD ARG 19 3HD ARG 19 9.624 20.857 -0.746 138 HE ARG 19 HE ARG 19 11.418 20.458 -2.887 139 1HH1 ARG 19 1HH1 ARG 19 10.270 22.934 -0.724 140 2HH1 ARG 19 2HH1 ARG 19 11.740 23.849 -0.782 141 1HH2 ARG 19 1HH2 ARG 19 13.359 21.654 -2.971 142 2HH2 ARG 19 2HH2 ARG 19 13.496 23.120 -2.061 143 H ALA 20 H ALA 20 9.552 15.659 -2.933 144 HA ALA 20 HA ALA 20 7.978 16.358 -5.179 145 1HB ALA 20 1HB ALA 20 9.035 13.684 -5.362 146 2HB ALA 20 2HB ALA 20 9.481 15.133 -6.264 147 3HB ALA 20 3HB ALA 20 10.239 14.795 -4.708 148 H PHE 21 H PHE 21 8.005 13.301 -3.332 149 HA PHE 21 HA PHE 21 5.763 12.147 -4.437 150 1HB PHE 21 2HB PHE 21 7.144 11.896 -1.811 151 2HB PHE 21 3HB PHE 21 5.546 11.174 -1.960 152 HD1 PHE 21 HD1 PHE 21 5.365 9.021 -2.751 153 HD2 PHE 21 HD2 PHE 21 8.822 11.304 -3.730 154 HE1 PHE 21 HE1 PHE 21 6.358 7.047 -3.835 155 HE2 PHE 21 HE2 PHE 21 9.819 9.334 -4.816 156 HZ PHE 21 HZ PHE 21 8.587 7.203 -4.870 157 H SER 22 H SER 22 5.918 14.283 -1.601 158 HA SER 22 HA SER 22 3.171 14.257 -1.015 159 1HB SER 22 2HB SER 22 4.684 15.071 0.649 160 2HB SER 22 3HB SER 22 5.326 16.298 -0.443 161 HG SER 22 HG SER 22 3.231 16.460 1.214 162 H TYR 23 H TYR 23 5.110 16.404 -3.055 163 HA TYR 23 HA TYR 23 3.172 18.297 -3.676 164 1HB TYR 23 2HB TYR 23 5.704 17.384 -4.867 165 2HB TYR 23 3HB TYR 23 4.591 18.134 -6.005 166 HD1 TYR 23 HD1 TYR 23 5.069 18.972 -2.416 167 HD2 TYR 23 HD2 TYR 23 5.640 20.184 -6.455 168 HE1 TYR 23 HE1 TYR 23 5.784 21.194 -1.642 169 HE2 TYR 23 HE2 TYR 23 6.358 22.409 -5.691 170 HH TYR 23 HH TYR 23 6.479 23.799 -3.924 171 H TYR 24 H TYR 24 3.866 15.187 -5.219 172 HA TYR 24 HA TYR 24 1.892 15.491 -7.258 173 1HB TYR 24 2HB TYR 24 3.605 13.241 -6.279 174 2HB TYR 24 3HB TYR 24 2.255 12.889 -7.352 175 HD1 TYR 24 HD1 TYR 24 5.211 15.160 -7.097 176 HD2 TYR 24 HD2 TYR 24 2.608 12.953 -9.638 177 HE1 TYR 24 HE1 TYR 24 6.605 15.757 -9.034 178 HE2 TYR 24 HE2 TYR 24 3.995 13.543 -11.582 179 HH TYR 24 HH TYR 24 5.595 15.258 -12.248 180 H GLY 25 H GLY 25 1.955 14.064 -4.048 181 1HA GLY 25 2HA GLY 25 -0.751 14.313 -3.546 182 2HA GLY 25 3HA GLY 25 -0.550 12.720 -4.260 183 HA PRO 26 HA PRO 26 0.430 12.844 0.408 184 1HB PRO 26 2HB PRO 26 -1.881 11.772 1.345 185 2HB PRO 26 3HB PRO 26 -1.632 13.513 1.168 186 1HG PRO 26 2HG PRO 26 -3.064 11.609 -0.646 187 2HG PRO 26 3HG PRO 26 -3.538 13.240 -0.137 188 1HD PRO 26 2HD PRO 26 -2.409 12.737 -2.546 189 2HD PRO 26 3HD PRO 26 -2.149 14.258 -1.670 190 H LEU 27 H LEU 27 1.856 11.190 0.388 191 HA LEU 27 HA LEU 27 1.070 8.549 -0.512 192 1HB LEU 27 2HB LEU 27 3.363 7.949 -0.266 193 2HB LEU 27 3HB LEU 27 3.288 9.531 -1.039 194 HG LEU 27 HG LEU 27 3.634 9.493 1.903 195 1HD1 LEU 27 1HD1 LEU 27 5.793 8.752 1.959 196 2HD1 LEU 27 2HD1 LEU 27 6.082 9.116 0.258 197 3HD1 LEU 27 3HD1 LEU 27 5.142 7.694 0.707 198 1HD2 LEU 27 1HD2 LEU 27 4.218 11.216 -0.404 199 2HD2 LEU 27 2HD2 LEU 27 5.458 11.195 0.849 200 3HD2 LEU 27 3HD2 LEU 27 3.800 11.639 1.256 201 H ARG 28 H ARG 28 2.466 6.864 1.108 202 HA ARG 28 HA ARG 28 0.859 6.951 3.548 203 1HB ARG 28 2HB ARG 28 0.804 4.909 2.162 204 2HB ARG 28 3HB ARG 28 2.534 4.709 2.405 205 1HG ARG 28 2HG ARG 28 2.293 4.016 4.568 206 2HG ARG 28 3HG ARG 28 0.782 4.897 4.798 207 1HD ARG 28 2HD ARG 28 0.215 2.600 4.753 208 2HD ARG 28 3HD ARG 28 -0.276 3.264 3.195 209 HE ARG 28 HE ARG 28 2.353 2.160 3.111 210 1HH1 ARG 28 1HH1 ARG 28 -1.033 1.355 3.027 211 2HH1 ARG 28 2HH1 ARG 28 -0.796 -0.112 2.136 212 1HH2 ARG 28 1HH2 ARG 28 2.678 0.231 1.938 213 2HH2 ARG 28 2HH2 ARG 28 1.315 -0.751 1.518 214 H THR 29 H THR 29 4.231 6.305 2.592 215 HA THR 29 HA THR 29 5.256 7.789 4.814 216 HB THR 29 HB THR 29 6.594 5.483 5.408 217 HG1 THR 29 HG1 THR 29 4.823 3.936 5.705 218 1HG2 THR 29 1HG2 THR 29 5.957 6.325 7.374 219 2HG2 THR 29 2HG2 THR 29 4.412 5.502 7.158 220 3HG2 THR 29 3HG2 THR 29 4.602 7.175 6.632 221 H VAL 30 H VAL 30 7.627 7.828 4.844 222 HA VAL 30 HA VAL 30 8.787 7.070 2.242 223 HB VAL 30 HB VAL 30 10.233 9.080 2.407 224 1HG1 VAL 30 1HG1 VAL 30 8.650 10.574 1.527 225 2HG1 VAL 30 2HG1 VAL 30 8.005 8.970 1.171 226 3HG1 VAL 30 3HG1 VAL 30 7.348 9.909 2.512 227 1HG2 VAL 30 1HG2 VAL 30 8.389 9.902 4.648 228 2HG2 VAL 30 2HG2 VAL 30 10.048 9.345 4.866 229 3HG2 VAL 30 3HG2 VAL 30 9.728 10.836 3.980 230 H TRP 31 H TRP 31 11.075 6.659 2.235 231 HA TRP 31 HA TRP 31 12.466 6.390 4.748 232 1HB TRP 31 2HB TRP 31 10.921 4.255 4.101 233 2HB TRP 31 3HB TRP 31 12.420 3.824 3.282 234 HD1 TRP 31 HD1 TRP 31 11.063 4.558 6.811 235 HE1 TRP 31 HE1 TRP 31 12.640 3.464 8.525 236 HE3 TRP 31 HE3 TRP 31 14.738 2.967 3.633 237 HZ2 TRP 31 HZ2 TRP 31 15.115 2.107 8.530 238 HZ3 TRP 31 HZ3 TRP 31 16.677 1.779 4.573 239 HH2 TRP 31 HH2 TRP 31 16.860 1.359 6.971 240 H ILE 32 H ILE 32 14.710 5.817 4.477 241 HA ILE 32 HA ILE 32 15.715 5.818 1.732 242 HB ILE 32 HB ILE 32 16.646 7.788 3.824 243 1HG1 ILE 32 2HG1 ILE 32 15.946 9.296 1.710 244 2HG1 ILE 32 3HG1 ILE 32 14.820 7.961 1.487 245 1HG2 ILE 32 1HG2 ILE 32 17.825 6.817 1.307 246 2HG2 ILE 32 2HG2 ILE 32 17.833 8.565 1.532 247 3HG2 ILE 32 3HG2 ILE 32 18.597 7.519 2.728 248 1HD1 ILE 32 1HD1 ILE 32 13.722 9.645 2.747 249 2HD1 ILE 32 2HD1 ILE 32 14.078 8.311 3.844 250 3HD1 ILE 32 3HD1 ILE 32 15.072 9.767 3.875 251 H ALA 33 H ALA 33 17.717 4.849 1.472 252 HA ALA 33 HA ALA 33 18.700 3.394 3.833 253 1HB ALA 33 1HB ALA 33 17.843 2.194 1.707 254 2HB ALA 33 2HB ALA 33 19.401 2.656 1.019 255 3HB ALA 33 3HB ALA 33 19.339 1.640 2.460 256 H ARG 34 H ARG 34 20.336 4.485 4.735 257 HA ARG 34 HA ARG 34 22.110 6.160 3.252 258 1HB ARG 34 2HB ARG 34 21.387 6.209 5.792 259 2HB ARG 34 3HB ARG 34 22.793 5.171 5.986 260 1HG ARG 34 2HG ARG 34 24.177 6.906 4.899 261 2HG ARG 34 3HG ARG 34 22.757 7.952 4.835 262 1HD ARG 34 2HD ARG 34 24.023 8.581 6.752 263 2HD ARG 34 3HD ARG 34 22.588 7.729 7.321 264 HE ARG 34 HE ARG 34 23.947 6.114 8.197 265 1HH1 ARG 34 1HH1 ARG 34 25.759 7.984 5.887 266 2HH1 ARG 34 2HH1 ARG 34 27.271 7.229 6.266 267 1HH2 ARG 34 1HH2 ARG 34 25.932 5.112 8.705 268 2HH2 ARG 34 2HH2 ARG 34 27.368 5.595 7.869 269 H ASN 35 H ASN 35 22.084 2.826 4.147 270 HA ASN 35 HA ASN 35 24.749 2.147 4.224 271 1HB ASN 35 2HB ASN 35 22.244 0.771 3.696 272 2HB ASN 35 3HB ASN 35 23.571 0.081 2.765 273 1HD2 ASN 35 1HD2 ASN 35 23.307 -1.814 4.046 274 2HD2 ASN 35 2HD2 ASN 35 23.988 -1.897 5.632 275 HA PRO 36 HA PRO 36 24.853 1.634 -0.571 276 1HB PRO 36 2HB PRO 36 22.696 2.495 -1.978 277 2HB PRO 36 3HB PRO 36 22.837 0.850 -1.346 278 1HG PRO 36 2HG PRO 36 21.346 3.189 -0.222 279 2HG PRO 36 3HG PRO 36 20.837 1.496 -0.352 280 1HD PRO 36 2HD PRO 36 21.764 2.564 1.957 281 2HD PRO 36 3HD PRO 36 22.023 0.863 1.520 282 HA PRO 37 HA PRO 37 26.113 5.726 -1.570 283 1HB PRO 37 2HB PRO 37 26.175 5.692 -4.283 284 2HB PRO 37 3HB PRO 37 27.355 4.835 -3.284 285 1HG PRO 37 2HG PRO 37 24.922 3.777 -4.671 286 2HG PRO 37 3HG PRO 37 26.543 3.068 -4.560 287 1HD PRO 37 2HD PRO 37 24.485 2.249 -3.003 288 2HD PRO 37 3HD PRO 37 26.170 2.233 -2.444 289 H GLY 38 H GLY 38 23.120 4.557 -2.914 290 1HA GLY 38 2HA GLY 38 21.754 6.977 -2.481 291 2HA GLY 38 3HA GLY 38 22.202 6.887 -4.178 292 H PHE 39 H PHE 39 20.529 5.105 -1.609 293 HA PHE 39 HA PHE 39 18.544 4.260 -3.582 294 1HB PHE 39 2HB PHE 39 20.494 2.511 -2.422 295 2HB PHE 39 3HB PHE 39 18.901 2.064 -1.822 296 HD1 PHE 39 HD1 PHE 39 20.581 2.962 -5.028 297 HD2 PHE 39 HD2 PHE 39 17.662 0.575 -3.053 298 HE1 PHE 39 HE1 PHE 39 20.124 1.780 -7.138 299 HE2 PHE 39 HE2 PHE 39 17.202 -0.611 -5.158 300 HZ PHE 39 HZ PHE 39 18.434 -0.010 -7.204 301 H ALA 40 H ALA 40 16.611 4.819 -2.854 302 HA ALA 40 HA ALA 40 16.093 4.679 0.042 303 1HB ALA 40 1HB ALA 40 15.892 6.894 0.064 304 2HB ALA 40 2HB ALA 40 15.979 6.990 -1.695 305 3HB ALA 40 3HB ALA 40 14.432 6.689 -0.905 306 H PHE 41 H PHE 41 13.793 4.492 0.594 307 HA PHE 41 HA PHE 41 12.196 3.259 -1.548 308 1HB PHE 41 2HB PHE 41 13.009 2.135 1.070 309 2HB PHE 41 3HB PHE 41 11.334 1.868 0.598 310 HD1 PHE 41 HD1 PHE 41 14.681 1.762 -1.059 311 HD2 PHE 41 HD2 PHE 41 10.930 -0.142 -0.410 312 HE1 PHE 41 HE1 PHE 41 15.388 -0.111 -2.489 313 HE2 PHE 41 HE2 PHE 41 11.631 -2.018 -1.838 314 HZ PHE 41 HZ PHE 41 13.863 -2.005 -2.879 315 H VAL 42 H VAL 42 9.968 3.547 -1.430 316 HA VAL 42 HA VAL 42 8.942 5.247 0.728 317 HB VAL 42 HB VAL 42 8.382 5.813 -2.184 318 1HG1 VAL 42 1HG1 VAL 42 6.552 6.519 -0.865 319 2HG1 VAL 42 2HG1 VAL 42 7.611 7.175 0.386 320 3HG1 VAL 42 3HG1 VAL 42 7.507 7.967 -1.187 321 1HG2 VAL 42 1HG2 VAL 42 9.810 7.749 -1.982 322 2HG2 VAL 42 2HG2 VAL 42 10.155 7.361 -0.296 323 3HG2 VAL 42 3HG2 VAL 42 10.731 6.299 -1.581 324 H GLU 43 H GLU 43 6.683 5.123 1.054 325 HA GLU 43 HA GLU 43 5.401 2.826 -0.277 326 1HB GLU 43 2HB GLU 43 5.233 3.741 2.593 327 2HB GLU 43 3HB GLU 43 4.088 2.610 1.887 328 1HG GLU 43 2HG GLU 43 5.937 1.080 1.374 329 2HG GLU 43 3HG GLU 43 7.059 2.206 2.137 330 H PHE 44 H PHE 44 3.591 3.249 -1.349 331 HA PHE 44 HA PHE 44 2.264 5.831 -0.877 332 1HB PHE 44 2HB PHE 44 3.019 4.405 -3.274 333 2HB PHE 44 3HB PHE 44 1.289 4.730 -3.268 334 HD1 PHE 44 HD1 PHE 44 1.006 7.291 -2.042 335 HD2 PHE 44 HD2 PHE 44 4.067 5.907 -4.655 336 HE1 PHE 44 HE1 PHE 44 1.436 9.606 -2.758 337 HE2 PHE 44 HE2 PHE 44 4.503 8.219 -5.375 338 HZ PHE 44 HZ PHE 44 3.188 10.072 -4.425 339 H GLU 45 H GLU 45 0.325 5.829 0.037 340 HA GLU 45 HA GLU 45 -0.984 3.497 0.875 341 1HB GLU 45 2HB GLU 45 -2.757 4.926 1.625 342 2HB GLU 45 3HB GLU 45 -1.236 5.763 1.901 343 1HG GLU 45 2HG GLU 45 -1.644 6.962 -0.281 344 2HG GLU 45 3HG GLU 45 -3.271 6.285 -0.244 345 H ASP 46 H ASP 46 -1.194 5.324 -2.069 346 HA ASP 46 HA ASP 46 -3.220 3.429 -3.051 347 1HB ASP 46 2HB ASP 46 -3.524 6.236 -2.764 348 2HB ASP 46 3HB ASP 46 -3.406 5.898 -4.489 349 HA PRO 47 HA PRO 47 -0.440 2.613 -6.352 350 1HB PRO 47 2HB PRO 47 -2.192 1.889 -8.296 351 2HB PRO 47 3HB PRO 47 -1.823 0.863 -6.904 352 1HG PRO 47 2HG PRO 47 -4.160 2.679 -7.352 353 2HG PRO 47 3HG PRO 47 -4.130 1.039 -6.677 354 1HD PRO 47 2HD PRO 47 -4.298 3.250 -5.123 355 2HD PRO 47 3HD PRO 47 -3.470 1.772 -4.594 356 H ARG 48 H ARG 48 -3.327 4.436 -7.396 357 HA ARG 48 HA ARG 48 -2.361 5.547 -9.715 358 1HB ARG 48 2HB ARG 48 -3.922 7.464 -9.235 359 2HB ARG 48 3HB ARG 48 -4.652 5.866 -9.141 360 1HG ARG 48 2HG ARG 48 -4.266 5.985 -6.643 361 2HG ARG 48 3HG ARG 48 -3.888 7.692 -6.885 362 1HD ARG 48 2HD ARG 48 -6.169 7.634 -6.313 363 2HD ARG 48 3HD ARG 48 -6.131 7.868 -8.060 364 HE ARG 48 HE ARG 48 -6.291 5.142 -7.644 365 1HH1 ARG 48 1HH1 ARG 48 -8.207 7.956 -6.914 366 2HH1 ARG 48 2HH1 ARG 48 -9.714 7.104 -6.966 367 1HH2 ARG 48 1HH2 ARG 48 -8.270 4.009 -7.715 368 2HH2 ARG 48 2HH2 ARG 48 -9.749 4.859 -7.421 369 H ASP 49 H ASP 49 -1.968 6.766 -6.408 370 HA ASP 49 HA ASP 49 -0.632 9.143 -7.030 371 1HB ASP 49 2HB ASP 49 -0.087 7.482 -4.572 372 2HB ASP 49 3HB ASP 49 0.009 9.232 -4.740 373 H ALA 50 H ALA 50 0.543 5.852 -6.683 374 HA ALA 50 HA ALA 50 3.317 6.560 -6.779 375 1HB ALA 50 1HB ALA 50 3.099 3.893 -7.549 376 2HB ALA 50 2HB ALA 50 3.412 4.509 -5.926 377 3HB ALA 50 3HB ALA 50 1.759 4.156 -6.432 378 H GLU 51 H GLU 51 0.936 5.395 -9.122 379 HA GLU 51 HA GLU 51 2.663 4.973 -11.280 380 1HB GLU 51 2HB GLU 51 0.028 4.595 -10.900 381 2HB GLU 51 3HB GLU 51 -0.032 6.062 -11.867 382 1HG GLU 51 2HG GLU 51 0.117 4.780 -13.662 383 2HG GLU 51 3HG GLU 51 1.779 4.428 -13.192 384 H ASP 52 H ASP 52 0.863 7.878 -10.322 385 HA ASP 52 HA ASP 52 1.849 9.463 -12.482 386 1HB ASP 52 2HB ASP 52 -0.123 9.732 -10.492 387 2HB ASP 52 3HB ASP 52 1.015 11.049 -10.222 388 H ALA 53 H ALA 53 2.602 9.319 -9.007 389 HA ALA 53 HA ALA 53 4.564 11.284 -8.930 390 1HB ALA 53 1HB ALA 53 3.744 10.431 -6.882 391 2HB ALA 53 2HB ALA 53 4.217 8.782 -7.296 392 3HB ALA 53 3HB ALA 53 5.452 9.993 -6.951 393 H VAL 54 H VAL 54 4.922 7.799 -9.541 394 HA VAL 54 HA VAL 54 7.736 7.876 -9.879 395 HB VAL 54 HB VAL 54 5.691 5.859 -10.805 396 1HG1 VAL 54 1HG1 VAL 54 7.319 5.168 -12.192 397 2HG1 VAL 54 2HG1 VAL 54 8.571 6.071 -11.336 398 3HG1 VAL 54 3HG1 VAL 54 8.039 4.503 -10.726 399 1HG2 VAL 54 1HG2 VAL 54 5.752 5.108 -8.718 400 2HG2 VAL 54 2HG2 VAL 54 7.499 4.894 -8.829 401 3HG2 VAL 54 3HG2 VAL 54 6.832 6.431 -8.277 402 H ARG 55 H ARG 55 5.032 7.883 -12.182 403 HA ARG 55 HA ARG 55 6.455 7.787 -14.553 404 1HB ARG 55 2HB ARG 55 3.813 8.899 -13.749 405 2HB ARG 55 3HB ARG 55 4.445 9.357 -15.324 406 1HG ARG 55 2HG ARG 55 4.497 7.104 -16.058 407 2HG ARG 55 3HG ARG 55 4.185 6.500 -14.429 408 1HD ARG 55 2HD ARG 55 1.966 6.882 -14.572 409 2HD ARG 55 3HD ARG 55 2.178 8.373 -15.489 410 HE ARG 55 HE ARG 55 1.665 5.777 -16.543 411 1HH1 ARG 55 1HH1 ARG 55 3.297 8.783 -17.192 412 2HH1 ARG 55 2HH1 ARG 55 3.232 8.597 -18.913 413 1HH2 ARG 55 1HH2 ARG 55 1.574 5.520 -18.807 414 2HH2 ARG 55 2HH2 ARG 55 2.251 6.741 -19.831 415 H GLY 56 H GLY 56 5.673 10.591 -12.535 416 1HA GLY 56 2HA GLY 56 6.929 12.450 -14.346 417 2HA GLY 56 3HA GLY 56 6.301 12.812 -12.745 418 H LEU 57 H LEU 57 7.682 11.435 -11.008 419 HA LEU 57 HA LEU 57 10.099 12.722 -10.728 420 1HB LEU 57 2HB LEU 57 9.246 10.043 -9.649 421 2HB LEU 57 3HB LEU 57 10.682 10.912 -9.113 422 HG LEU 57 HG LEU 57 7.910 12.064 -8.891 423 1HD1 LEU 57 1HD1 LEU 57 9.411 10.635 -6.710 424 2HD1 LEU 57 2HD1 LEU 57 8.142 9.879 -7.674 425 3HD1 LEU 57 3HD1 LEU 57 7.767 11.272 -6.660 426 1HD2 LEU 57 1HD2 LEU 57 10.204 12.719 -7.112 427 2HD2 LEU 57 2HD2 LEU 57 8.852 13.726 -7.633 428 3HD2 LEU 57 3HD2 LEU 57 10.181 13.389 -8.744 429 H ASP 58 H ASP 58 9.443 9.590 -12.224 430 HA ASP 58 HA ASP 58 12.235 9.106 -12.782 431 1HB ASP 58 2HB ASP 58 10.199 7.413 -12.408 432 2HB ASP 58 3HB ASP 58 10.107 7.550 -14.162 433 H GLY 59 H GLY 59 9.363 10.128 -14.568 434 1HA GLY 59 2HA GLY 59 10.291 10.014 -17.165 435 2HA GLY 59 3HA GLY 59 9.163 11.226 -16.576 436 H LYS 60 H LYS 60 10.715 12.677 -14.849 437 HA LYS 60 HA LYS 60 13.076 13.526 -16.348 438 1HB LYS 60 2HB LYS 60 10.709 14.835 -16.736 439 2HB LYS 60 3HB LYS 60 11.409 15.767 -15.419 440 1HG LYS 60 2HG LYS 60 13.243 16.422 -16.689 441 2HG LYS 60 3HG LYS 60 13.004 15.132 -17.870 442 1HD LYS 60 2HD LYS 60 10.902 16.235 -18.581 443 2HD LYS 60 3HD LYS 60 11.256 17.559 -17.469 444 1HE LYS 60 2HE LYS 60 12.162 18.447 -19.353 445 2HE LYS 60 3HE LYS 60 13.561 17.528 -18.798 446 1HZ LYS 60 1HZ LYS 60 11.571 16.430 -20.699 447 2HZ LYS 60 2HZ LYS 60 13.101 15.812 -20.327 448 3HZ LYS 60 3HZ LYS 60 12.961 17.253 -21.202 449 H VAL 61 H VAL 61 13.292 15.991 -14.830 450 HA VAL 61 HA VAL 61 14.118 14.830 -12.259 451 HB VAL 61 HB VAL 61 15.747 16.551 -12.067 452 1HG1 VAL 61 1HG1 VAL 61 15.786 15.787 -14.978 453 2HG1 VAL 61 2HG1 VAL 61 17.162 16.114 -13.922 454 3HG1 VAL 61 3HG1 VAL 61 16.186 14.665 -13.678 455 1HG2 VAL 61 1HG2 VAL 61 14.677 18.513 -12.730 456 2HG2 VAL 61 2HG2 VAL 61 15.914 18.281 -13.965 457 3HG2 VAL 61 3HG2 VAL 61 14.237 17.855 -14.305 458 H ILE 62 H ILE 62 13.722 15.941 -10.311 459 HA ILE 62 HA ILE 62 11.561 17.939 -10.467 460 HB ILE 62 HB ILE 62 10.611 15.942 -9.575 461 1HG1 ILE 62 2HG1 ILE 62 10.505 18.314 -8.286 462 2HG1 ILE 62 3HG1 ILE 62 9.581 16.900 -7.790 463 1HG2 ILE 62 1HG2 ILE 62 12.987 15.878 -7.726 464 2HG2 ILE 62 2HG2 ILE 62 11.564 14.853 -7.543 465 3HG2 ILE 62 3HG2 ILE 62 12.573 14.711 -8.982 466 1HD1 ILE 62 1HD1 ILE 62 10.772 18.098 -5.953 467 2HD1 ILE 62 2HD1 ILE 62 11.148 16.380 -6.086 468 3HD1 ILE 62 3HD1 ILE 62 12.291 17.581 -6.686 469 H CYS 63 H CYS 63 12.031 19.859 -9.636 470 HA CYS 63 HA CYS 63 13.229 21.529 -8.639 471 1HB CYS 63 2HB CYS 63 12.009 20.085 -6.737 472 2HB CYS 63 3HB CYS 63 13.677 19.849 -6.228 473 HG CYS 63 HG CYS 63 12.522 22.996 -6.810 474 H GLY 64 H GLY 64 14.833 19.951 -10.285 475 1HA GLY 64 2HA GLY 64 17.083 19.813 -10.777 476 2HA GLY 64 3HA GLY 64 17.419 20.580 -9.233 477 H SER 65 H SER 65 15.546 17.636 -9.580 478 HA SER 65 HA SER 65 17.795 16.119 -8.433 479 1HB SER 65 2HB SER 65 14.948 15.513 -7.689 480 2HB SER 65 3HB SER 65 16.431 15.099 -6.830 481 HG SER 65 HG SER 65 14.917 17.391 -6.733 482 H ARG 66 H ARG 66 18.391 15.025 -10.244 483 HA ARG 66 HA ARG 66 16.402 13.742 -11.918 484 1HB ARG 66 2HB ARG 66 18.312 13.055 -13.294 485 2HB ARG 66 3HB ARG 66 18.349 14.783 -12.967 486 1HG ARG 66 2HG ARG 66 20.318 14.650 -11.939 487 2HG ARG 66 3HG ARG 66 19.828 13.238 -11.000 488 1HD ARG 66 2HD ARG 66 20.776 11.798 -12.443 489 2HD ARG 66 3HD ARG 66 20.257 12.719 -13.854 490 HE ARG 66 HE ARG 66 22.316 13.697 -13.904 491 1HH1 ARG 66 1HH1 ARG 66 21.785 12.383 -10.724 492 2HH1 ARG 66 2HH1 ARG 66 23.386 12.739 -10.167 493 1HH2 ARG 66 1HH2 ARG 66 24.427 14.170 -13.183 494 2HH2 ARG 66 2HH2 ARG 66 24.888 13.756 -11.566 495 H VAL 67 H VAL 67 16.067 12.684 -9.502 496 HA VAL 67 HA VAL 67 17.680 10.374 -9.008 497 HB VAL 67 HB VAL 67 16.072 9.803 -7.294 498 1HG1 VAL 67 1HG1 VAL 67 16.005 12.027 -6.060 499 2HG1 VAL 67 2HG1 VAL 67 17.592 11.449 -6.574 500 3HG1 VAL 67 3HG1 VAL 67 16.775 12.718 -7.488 501 1HG2 VAL 67 1HG2 VAL 67 14.303 11.464 -8.927 502 2HG2 VAL 67 2HG2 VAL 67 13.921 10.136 -7.832 503 3HG2 VAL 67 3HG2 VAL 67 14.170 11.761 -7.194 504 H ARG 68 H ARG 68 16.567 8.176 -8.786 505 HA ARG 68 HA ARG 68 14.860 7.698 -11.140 506 1HB ARG 68 2HB ARG 68 17.202 6.905 -11.445 507 2HB ARG 68 3HB ARG 68 16.989 5.846 -10.057 508 1HG ARG 68 2HG ARG 68 15.882 4.317 -11.249 509 2HG ARG 68 3HG ARG 68 14.923 5.533 -12.094 510 1HD ARG 68 2HD ARG 68 17.276 5.995 -13.254 511 2HD ARG 68 3HD ARG 68 17.518 4.301 -12.830 512 HE ARG 68 HE ARG 68 15.017 4.791 -14.145 513 1HH1 ARG 68 1HH1 ARG 68 18.415 4.198 -14.620 514 2HH1 ARG 68 2HH1 ARG 68 18.212 3.544 -16.211 515 1HH2 ARG 68 1HH2 ARG 68 14.737 3.932 -16.240 516 2HH2 ARG 68 2HH2 ARG 68 16.119 3.394 -17.132 517 H VAL 69 H VAL 69 12.909 7.043 -10.551 518 HA VAL 69 HA VAL 69 12.653 5.371 -8.135 519 HB VAL 69 HB VAL 69 11.561 7.408 -7.641 520 1HG1 VAL 69 1HG1 VAL 69 11.314 8.624 -9.564 521 2HG1 VAL 69 2HG1 VAL 69 10.653 7.262 -10.472 522 3HG1 VAL 69 3HG1 VAL 69 9.645 8.116 -9.303 523 1HG2 VAL 69 1HG2 VAL 69 9.258 6.757 -7.357 524 2HG2 VAL 69 2HG2 VAL 69 9.404 5.545 -8.631 525 3HG2 VAL 69 3HG2 VAL 69 10.288 5.345 -7.118 526 H GLU 70 H GLU 70 11.412 3.541 -8.233 527 HA GLU 70 HA GLU 70 9.967 2.948 -10.703 528 1HB GLU 70 2HB GLU 70 12.515 1.989 -10.353 529 2HB GLU 70 3HB GLU 70 11.537 0.669 -9.727 530 1HG GLU 70 2HG GLU 70 10.611 0.201 -11.758 531 2HG GLU 70 3HG GLU 70 10.787 1.854 -12.344 532 H LEU 71 H LEU 71 8.682 0.898 -10.487 533 HA LEU 71 HA LEU 71 7.647 0.695 -7.741 534 1HB LEU 71 2HB LEU 71 6.391 0.949 -10.321 535 2HB LEU 71 3HB LEU 71 5.832 -0.507 -9.499 536 HG LEU 71 HG LEU 71 4.430 1.566 -9.178 537 1HD1 LEU 71 1HD1 LEU 71 4.659 1.178 -6.507 538 2HD1 LEU 71 2HD1 LEU 71 5.445 -0.274 -7.127 539 3HD1 LEU 71 3HD1 LEU 71 3.789 0.102 -7.602 540 1HD2 LEU 71 1HD2 LEU 71 6.443 2.439 -7.158 541 2HD2 LEU 71 2HD2 LEU 71 5.164 3.362 -7.947 542 3HD2 LEU 71 3HD2 LEU 71 6.629 2.944 -8.837 543 H SER 72 H SER 72 8.460 -1.022 -6.732 544 HA SER 72 HA SER 72 9.378 -3.351 -8.114 545 1HB SER 72 2HB SER 72 10.609 -3.109 -6.198 546 2HB SER 72 3HB SER 72 9.256 -2.438 -5.286 547 HG SER 72 HG SER 72 9.319 -4.389 -4.443 548 H THR 73 H THR 73 6.426 -2.402 -6.545 549 HA THR 73 HA THR 73 5.135 -4.821 -7.505 550 HB THR 73 HB THR 73 4.929 -4.049 -4.589 551 HG1 THR 73 HG1 THR 73 6.291 -6.201 -5.870 552 1HG2 THR 73 1HG2 THR 73 3.093 -5.307 -4.555 553 2HG2 THR 73 2HG2 THR 73 4.024 -6.682 -5.149 554 3HG2 THR 73 3HG2 THR 73 3.244 -5.586 -6.289 555 H GLY 74 H GLY 74 3.071 -4.467 -8.135 556 1HA GLY 74 2HA GLY 74 0.941 -3.428 -8.017 557 2HA GLY 74 3HA GLY 74 1.673 -2.088 -7.147 558 H MET 75 H MET 75 3.197 -3.322 -10.009 559 HA MET 75 HA MET 75 2.132 -1.067 -11.567 560 1HB MET 75 2HB MET 75 4.296 -0.348 -10.830 561 2HB MET 75 3HB MET 75 5.021 -1.888 -11.271 562 1HG MET 75 2HG MET 75 3.761 -0.737 -13.563 563 2HG MET 75 3HG MET 75 4.829 0.448 -12.815 564 1HE MET 75 1HE MET 75 8.296 -0.685 -13.515 565 2HE MET 75 2HE MET 75 7.194 0.646 -13.869 566 3HE MET 75 3HE MET 75 7.302 0.001 -12.230 567 HA PRO 76 HA PRO 76 1.588 -4.924 -13.988 568 1HB PRO 76 2HB PRO 76 -0.709 -4.098 -15.176 569 2HB PRO 76 3HB PRO 76 -0.671 -4.846 -13.575 570 1HG PRO 76 2HG PRO 76 -0.837 -1.948 -14.309 571 2HG PRO 76 3HG PRO 76 -1.727 -2.839 -13.061 572 1HD PRO 76 2HD PRO 76 0.420 -1.291 -12.493 573 2HD PRO 76 3HD PRO 76 0.029 -2.756 -11.571 574 H ARG 77 H ARG 77 2.844 -5.045 -15.733 575 HA ARG 77 HA ARG 77 2.701 -2.874 -17.722 576 1HB ARG 77 2HB ARG 77 4.931 -3.717 -16.297 577 2HB ARG 77 3HB ARG 77 5.109 -4.504 -17.860 578 1HG ARG 77 2HG ARG 77 5.516 -2.572 -18.938 579 2HG ARG 77 3HG ARG 77 4.377 -1.656 -17.949 580 1HD ARG 77 2HD ARG 77 6.046 -0.869 -16.715 581 2HD ARG 77 3HD ARG 77 6.540 -2.511 -16.303 582 HE ARG 77 HE ARG 77 8.255 -2.329 -17.804 583 1HH1 ARG 77 1HH1 ARG 77 5.917 0.169 -18.447 584 2HH1 ARG 77 2HH1 ARG 77 6.902 0.969 -19.626 585 1HH2 ARG 77 1HH2 ARG 77 9.562 -1.285 -19.354 586 2HH2 ARG 77 2HH2 ARG 77 8.975 0.141 -20.142 587 H ARG 78 H ARG 78 3.667 -3.755 -19.914 588 HA ARG 78 HA ARG 78 1.991 -6.027 -20.626 589 1HB ARG 78 2HB ARG 78 2.406 -5.379 -22.931 590 2HB ARG 78 3HB ARG 78 1.907 -3.978 -21.994 591 1HG ARG 78 2HG ARG 78 3.639 -3.062 -23.139 592 2HG ARG 78 3HG ARG 78 4.519 -3.669 -21.735 593 1HD ARG 78 2HD ARG 78 4.387 -5.804 -23.550 594 2HD ARG 78 3HD ARG 78 4.789 -4.379 -24.507 595 HE ARG 78 HE ARG 78 6.390 -4.500 -22.175 596 1HH1 ARG 78 1HH1 ARG 78 5.987 -5.954 -25.312 597 2HH1 ARG 78 2HH1 ARG 78 7.655 -6.399 -25.464 598 1HH2 ARG 78 1HH2 ARG 78 8.588 -5.080 -22.363 599 2HH2 ARG 78 2HH2 ARG 78 9.133 -5.903 -23.785 600 H SER 79 H SER 79 5.172 -5.481 -19.736 601 HA SER 79 HA SER 79 6.538 -7.276 -21.452 602 1HB SER 79 2HB SER 79 7.569 -6.927 -18.696 603 2HB SER 79 3HB SER 79 8.395 -6.741 -20.243 604 HG SER 79 HG SER 79 8.216 -4.699 -19.633 605 H ARG 80 H ARG 80 7.785 -9.192 -20.337 606 HA ARG 80 HA ARG 80 5.742 -11.059 -19.506 607 1HB ARG 80 2HB ARG 80 8.683 -11.362 -20.110 608 2HB ARG 80 3HB ARG 80 7.676 -12.695 -19.561 609 1HG ARG 80 2HG ARG 80 6.183 -12.197 -21.549 610 2HG ARG 80 3HG ARG 80 7.487 -11.159 -22.131 611 1HD ARG 80 2HD ARG 80 9.006 -13.011 -22.214 612 2HD ARG 80 3HD ARG 80 7.838 -14.066 -21.419 613 HE ARG 80 HE ARG 80 7.929 -13.369 -24.202 614 1HH1 ARG 80 1HH1 ARG 80 5.878 -14.404 -21.586 615 2HH1 ARG 80 2HH1 ARG 80 4.702 -15.137 -22.625 616 1HH2 ARG 80 1HH2 ARG 80 6.387 -14.331 -25.581 617 2HH2 ARG 80 2HH2 ARG 80 4.993 -15.095 -24.897 618 H PHE 81 H PHE 81 5.892 -9.219 -17.556 619 HA PHE 81 HA PHE 81 7.760 -9.748 -15.505 620 1HB PHE 81 2HB PHE 81 5.116 -8.342 -15.631 621 2HB PHE 81 3HB PHE 81 5.862 -8.654 -14.067 622 HD1 PHE 81 HD1 PHE 81 5.824 -6.566 -16.978 623 HD2 PHE 81 HD2 PHE 81 8.168 -7.745 -13.627 624 HE1 PHE 81 HE1 PHE 81 7.216 -4.555 -17.249 625 HE2 PHE 81 HE2 PHE 81 9.563 -5.736 -13.891 626 HZ PHE 81 HZ PHE 81 9.088 -4.137 -15.703 627 H ASP 82 H ASP 82 7.952 -11.550 -14.369 628 HA ASP 82 HA ASP 82 5.766 -13.437 -14.188 629 1HB ASP 82 2HB ASP 82 8.520 -13.685 -14.254 630 2HB ASP 82 3HB ASP 82 8.129 -14.026 -12.571 631 H ARG 83 H ARG 83 7.286 -11.039 -12.192 632 HA ARG 83 HA ARG 83 6.321 -11.994 -9.689 633 1HB ARG 83 2HB ARG 83 8.038 -9.957 -10.560 634 2HB ARG 83 3HB ARG 83 6.715 -9.130 -9.748 635 1HG ARG 83 2HG ARG 83 7.076 -10.623 -7.787 636 2HG ARG 83 3HG ARG 83 8.508 -11.255 -8.602 637 1HD ARG 83 2HD ARG 83 9.111 -8.697 -8.789 638 2HD ARG 83 3HD ARG 83 8.024 -8.572 -7.405 639 HE ARG 83 HE ARG 83 9.944 -10.636 -7.035 640 1HH1 ARG 83 1HH1 ARG 83 9.523 -7.182 -6.937 641 2HH1 ARG 83 2HH1 ARG 83 10.794 -6.928 -5.788 642 1HH2 ARG 83 1HH2 ARG 83 11.620 -10.315 -5.521 643 2HH2 ARG 83 2HH2 ARG 83 11.987 -8.711 -4.984 644 HA PRO 84 HA PRO 84 2.088 -10.763 -10.216 645 1HB PRO 84 2HB PRO 84 1.297 -11.297 -7.674 646 2HB PRO 84 3HB PRO 84 1.569 -12.559 -8.881 647 1HG PRO 84 2HG PRO 84 3.373 -11.617 -6.686 648 2HG PRO 84 3HG PRO 84 3.022 -13.274 -7.212 649 1HD PRO 84 2HD PRO 84 5.277 -11.961 -7.937 650 2HD PRO 84 3HD PRO 84 4.486 -13.153 -8.989 651 HA PRO 85 HA PRO 85 2.735 -6.573 -8.657 652 1HB PRO 85 2HB PRO 85 0.789 -5.463 -10.191 653 2HB PRO 85 3HB PRO 85 2.401 -5.841 -10.809 654 1HG PRO 85 2HG PRO 85 -0.144 -7.393 -11.082 655 2HG PRO 85 3HG PRO 85 1.099 -7.059 -12.302 656 1HD PRO 85 2HD PRO 85 0.942 -9.424 -10.993 657 2HD PRO 85 3HD PRO 85 2.486 -8.730 -11.530 658 H ALA 86 H ALA 86 1.570 -5.218 -7.279 659 HA ALA 86 HA ALA 86 -0.533 -6.492 -5.798 660 1HB ALA 86 1HB ALA 86 0.886 -3.859 -5.539 661 2HB ALA 86 2HB ALA 86 -0.484 -4.288 -4.514 662 3HB ALA 86 3HB ALA 86 0.979 -5.272 -4.488 663 H ARG 87 H ARG 87 -1.733 -6.449 -8.060 664 HA ARG 87 HA ARG 87 -3.430 -4.041 -8.118 665 1HB ARG 87 2HB ARG 87 -2.836 -5.990 -10.353 666 2HB ARG 87 3HB ARG 87 -3.910 -4.602 -10.469 667 1HG ARG 87 2HG ARG 87 -0.975 -4.413 -9.830 668 2HG ARG 87 3HG ARG 87 -1.655 -4.246 -11.450 669 1HD ARG 87 2HD ARG 87 -2.588 -2.553 -9.152 670 2HD ARG 87 3HD ARG 87 -1.189 -2.106 -10.127 671 HE ARG 87 HE ARG 87 -3.427 -2.668 -11.774 672 1HH1 ARG 87 1HH1 ARG 87 -2.119 -0.256 -9.630 673 2HH1 ARG 87 2HH1 ARG 87 -2.939 1.061 -10.401 674 1HH2 ARG 87 1HH2 ARG 87 -4.512 -0.942 -12.796 675 2HH2 ARG 87 2HH2 ARG 87 -4.301 0.670 -12.201 676 H ARG 88 H ARG 88 -3.439 -7.569 -8.503 677 HA ARG 88 HA ARG 88 -5.048 -9.140 -8.164 678 1HB ARG 88 2HB ARG 88 -5.877 -6.972 -6.262 679 2HB ARG 88 3HB ARG 88 -6.873 -8.408 -6.457 680 1HG ARG 88 2HG ARG 88 -5.313 -9.791 -5.499 681 2HG ARG 88 3HG ARG 88 -3.964 -8.729 -5.908 682 1HD ARG 88 2HD ARG 88 -4.053 -7.873 -3.862 683 2HD ARG 88 3HD ARG 88 -5.672 -7.266 -4.209 684 HE ARG 88 HE ARG 88 -5.831 -9.979 -3.489 685 1HH1 ARG 88 1HH1 ARG 88 -5.146 -6.862 -2.099 686 2HH1 ARG 88 2HH1 ARG 88 -5.693 -7.303 -0.515 687 1HH2 ARG 88 1HH2 ARG 88 -6.554 -10.572 -1.408 688 2HH2 ARG 88 2HH2 ARG 88 -6.492 -9.413 -0.123 689 H LYS 89 H LYS 89 -7.576 -9.441 -8.181 690 HA LYS 89 HA LYS 89 -9.232 -7.601 -9.475 691 1HB LYS 89 2HB LYS 89 -7.338 -8.628 -11.233 692 2HB LYS 89 3HB LYS 89 -8.778 -9.585 -11.555 693 1HG LYS 89 2HG LYS 89 -9.790 -7.899 -12.594 694 2HG LYS 89 3HG LYS 89 -9.352 -6.746 -11.332 695 1HD LYS 89 2HD LYS 89 -7.460 -6.083 -12.406 696 2HD LYS 89 3HD LYS 89 -7.179 -7.672 -13.119 697 1HE LYS 89 2HE LYS 89 -9.391 -7.045 -14.443 698 2HE LYS 89 3HE LYS 89 -8.837 -5.408 -14.095 699 1HZ LYS 89 1HZ LYS 89 -7.824 -7.305 -15.978 700 2HZ LYS 89 2HZ LYS 89 -6.603 -6.703 -14.974 701 3HZ LYS 89 3HZ LYS 89 -7.554 -5.637 -15.879 702 H LEU 90 H LEU 90 -10.911 -9.144 -10.950 703 HA LEU 90 HA LEU 90 -11.442 -11.667 -9.696 704 1HB LEU 90 2HB LEU 90 -12.270 -9.719 -8.148 705 2HB LEU 90 3HB LEU 90 -13.608 -9.655 -9.294 706 HG LEU 90 HG LEU 90 -13.480 -12.328 -8.653 707 1HD1 LEU 90 1HD1 LEU 90 -12.931 -12.678 -6.489 708 2HD1 LEU 90 2HD1 LEU 90 -13.427 -11.063 -5.984 709 3HD1 LEU 90 3HD1 LEU 90 -11.871 -11.298 -6.780 710 1HD2 LEU 90 1HD2 LEU 90 -15.200 -10.036 -8.125 711 2HD2 LEU 90 2HD2 LEU 90 -15.337 -11.303 -6.905 712 3HD2 LEU 90 3HD2 LEU 90 -15.617 -11.681 -8.606 713 H LEU 91 H LEU 91 -11.126 -10.414 -12.366 714 HA LEU 91 HA LEU 91 -13.729 -11.168 -13.522 715 1HB LEU 91 2HB LEU 91 -12.796 -8.768 -13.784 716 2HB LEU 91 3HB LEU 91 -11.695 -9.498 -14.950 717 HG LEU 91 HG LEU 91 -14.469 -10.201 -15.462 718 1HD1 LEU 91 1HD1 LEU 91 -13.839 -7.423 -14.835 719 2HD1 LEU 91 2HD1 LEU 91 -15.401 -8.223 -15.013 720 3HD1 LEU 91 3HD1 LEU 91 -14.539 -7.644 -16.439 721 1HD2 LEU 91 1HD2 LEU 91 -12.199 -8.977 -17.009 722 2HD2 LEU 91 2HD2 LEU 91 -13.795 -9.249 -17.710 723 3HD2 LEU 91 3HD2 LEU 91 -12.844 -10.615 -17.123 724 H GLU 92 H GLU 92 -10.249 -11.526 -13.700 725 HA GLU 92 HA GLU 92 -10.121 -13.023 -16.083 726 1HB GLU 92 2HB GLU 92 -8.209 -11.923 -14.771 727 2HB GLU 92 3HB GLU 92 -8.230 -13.365 -13.765 728 1HG GLU 92 2HG GLU 92 -7.693 -14.755 -15.640 729 2HG GLU 92 3HG GLU 92 -7.851 -13.394 -16.749 730 H VAL 93 H VAL 93 -11.038 -13.853 -12.853 731 HA VAL 93 HA VAL 93 -10.865 -16.719 -13.398 732 HB VAL 93 HB VAL 93 -11.826 -15.387 -10.867 733 1HG1 VAL 93 1HG1 VAL 93 -12.520 -17.628 -10.867 734 2HG1 VAL 93 2HG1 VAL 93 -11.010 -18.185 -11.591 735 3HG1 VAL 93 3HG1 VAL 93 -11.032 -17.618 -9.921 736 1HG2 VAL 93 1HG2 VAL 93 -9.534 -15.861 -10.005 737 2HG2 VAL 93 2HG2 VAL 93 -9.043 -16.237 -11.657 738 3HG2 VAL 93 3HG2 VAL 93 -9.591 -14.611 -11.248 739 H LEU 94 H LEU 94 -12.670 -18.107 -13.239 740 HA LEU 94 HA LEU 94 -15.303 -17.313 -12.746 741 1HB LEU 94 2HB LEU 94 -15.286 -15.961 -14.664 742 2HB LEU 94 3HB LEU 94 -14.413 -17.167 -15.608 743 HG LEU 94 HG LEU 94 -16.462 -18.592 -15.546 744 1HD1 LEU 94 1HD1 LEU 94 -18.355 -16.531 -15.024 745 2HD1 LEU 94 2HD1 LEU 94 -17.278 -16.677 -13.636 746 3HD1 LEU 94 3HD1 LEU 94 -18.161 -18.088 -14.219 747 1HD2 LEU 94 1HD2 LEU 94 -17.179 -17.667 -17.469 748 2HD2 LEU 94 2HD2 LEU 94 -15.796 -16.597 -17.242 749 3HD2 LEU 94 3HD2 LEU 94 -17.406 -16.075 -16.744 750 H PHE 95 H PHE 95 -16.793 -19.017 -12.973 751 HA PHE 95 HA PHE 95 -16.021 -21.481 -14.243 752 1HB PHE 95 2HB PHE 95 -15.258 -21.097 -11.557 753 2HB PHE 95 3HB PHE 95 -16.639 -22.188 -11.521 754 HD1 PHE 95 HD1 PHE 95 -13.159 -21.981 -11.843 755 HD2 PHE 95 HD2 PHE 95 -16.531 -24.157 -13.263 756 HE1 PHE 95 HE1 PHE 95 -11.687 -23.853 -12.460 757 HE2 PHE 95 HE2 PHE 95 -15.064 -26.033 -13.881 758 HZ PHE 95 HZ PHE 95 -12.639 -25.883 -13.479 759 H ASN 96 H ASN 96 -17.934 -21.390 -15.363 760 HA ASN 96 HA ASN 96 -20.367 -21.795 -13.755 761 1HB ASN 96 2HB ASN 96 -19.973 -20.041 -16.171 762 2HB ASN 96 3HB ASN 96 -21.566 -20.647 -15.726 763 1HD2 ASN 96 1HD2 ASN 96 -20.365 -17.919 -15.780 764 2HD2 ASN 96 2HD2 ASN 96 -20.663 -17.275 -14.204 765 H GLY 97 H GLY 97 -18.465 -23.662 -15.085 766 1HA GLY 97 2HA GLY 97 -18.679 -25.702 -16.131 767 2HA GLY 97 3HA GLY 97 -20.411 -25.416 -16.208 768 HA PRO 98 HA PRO 98 -18.501 -23.354 -20.153 769 1HB PRO 98 2HB PRO 98 -15.902 -23.940 -20.674 770 2HB PRO 98 3HB PRO 98 -16.397 -22.539 -19.717 771 1HG PRO 98 2HG PRO 98 -15.411 -25.210 -18.794 772 2HG PRO 98 3HG PRO 98 -14.994 -23.595 -18.193 773 1HD PRO 98 2HD PRO 98 -16.769 -25.205 -16.932 774 2HD PRO 98 3HD PRO 98 -16.911 -23.435 -16.922 775 H LEU 99 H LEU 99 -17.838 -26.552 -19.049 776 HA LEU 99 HA LEU 99 -17.386 -27.751 -21.598 777 1HB LEU 99 2HB LEU 99 -16.957 -28.571 -19.094 778 2HB LEU 99 3HB LEU 99 -18.510 -29.355 -19.375 779 HG LEU 99 HG LEU 99 -16.973 -29.983 -21.616 780 1HD1 LEU 99 1HD1 LEU 99 -14.944 -29.277 -20.565 781 2HD1 LEU 99 2HD1 LEU 99 -14.978 -31.040 -20.567 782 3HD1 LEU 99 3HD1 LEU 99 -15.345 -30.153 -19.087 783 1HD2 LEU 99 1HD2 LEU 99 -17.209 -32.216 -20.859 784 2HD2 LEU 99 2HD2 LEU 99 -18.647 -31.349 -20.320 785 3HD2 LEU 99 3HD2 LEU 99 -17.352 -31.705 -19.177 786 H GLU 100 H GLU 100 -18.791 -28.649 -23.014 787 HA GLU 100 HA GLU 100 -21.629 -28.124 -22.556 788 1HB GLU 100 2HB GLU 100 -21.925 -28.289 -24.903 789 2HB GLU 100 3HB GLU 100 -20.444 -27.374 -24.661 790 1HG GLU 100 2HG GLU 100 -19.590 -28.771 -26.176 791 2HG GLU 100 3HG GLU 100 -19.473 -29.898 -24.826 792 H HIS 101 H HIS 101 -19.716 -30.527 -21.744 793 HA HIS 101 HA HIS 101 -20.008 -32.730 -21.254 794 1HB HIS 101 2HB HIS 101 -22.631 -31.591 -21.234 795 2HB HIS 101 3HB HIS 101 -22.727 -33.205 -21.931 796 HD1 HIS 101 HD1 HIS 101 -22.451 -35.175 -20.362 797 HD2 HIS 101 HD2 HIS 101 -21.700 -31.520 -18.535 798 HE1 HIS 101 HE1 HIS 101 -22.280 -35.675 -17.904 Start of MODEL 12 1 1H MET 1 H MET 1 1.151 1.674 -2.885 2 HA MET 1 HA MET 1 1.589 -1.085 -2.046 3 1HB MET 1 2HB MET 1 2.481 -1.818 -4.120 4 2HB MET 1 3HB MET 1 0.935 -1.065 -4.490 5 1HG MET 1 2HG MET 1 2.066 0.952 -5.220 6 2HG MET 1 3HG MET 1 3.625 0.250 -4.793 7 1HE MET 1 1HE MET 1 2.066 0.344 -8.819 8 2HE MET 1 2HE MET 1 0.818 0.453 -7.577 9 3HE MET 1 3HE MET 1 2.228 1.511 -7.506 10 H LYS 2 H LYS 2 4.119 -1.477 -2.968 11 HA LYS 2 HA LYS 2 5.615 0.413 -1.346 12 1HB LYS 2 2HB LYS 2 6.411 -2.169 -2.701 13 2HB LYS 2 3HB LYS 2 7.507 -1.185 -1.740 14 1HG LYS 2 2HG LYS 2 6.312 -1.609 0.245 15 2HG LYS 2 3HG LYS 2 4.934 -2.271 -0.638 16 1HD LYS 2 2HD LYS 2 5.951 -4.285 -0.987 17 2HD LYS 2 3HD LYS 2 7.571 -3.586 -1.007 18 1HE LYS 2 2HE LYS 2 7.782 -4.436 1.050 19 2HE LYS 2 3HE LYS 2 6.740 -3.111 1.565 20 1HZ LYS 2 1HZ LYS 2 4.862 -4.757 0.932 21 2HZ LYS 2 2HZ LYS 2 5.658 -4.931 2.414 22 3HZ LYS 2 3HZ LYS 2 6.061 -5.936 1.114 23 H VAL 3 H VAL 3 7.312 1.680 -2.064 24 HA VAL 3 HA VAL 3 7.732 1.815 -4.972 25 HB VAL 3 HB VAL 3 7.685 4.321 -3.327 26 1HG1 VAL 3 1HG1 VAL 3 7.033 5.257 -5.581 27 2HG1 VAL 3 2HG1 VAL 3 8.664 4.593 -5.465 28 3HG1 VAL 3 3HG1 VAL 3 7.386 3.662 -6.247 29 1HG2 VAL 3 1HG2 VAL 3 5.343 4.669 -4.044 30 2HG2 VAL 3 2HG2 VAL 3 5.308 3.011 -4.644 31 3HG2 VAL 3 3HG2 VAL 3 5.525 3.322 -2.921 32 H TYR 4 H TYR 4 9.783 2.461 -5.643 33 HA TYR 4 HA TYR 4 11.801 2.793 -3.528 34 1HB TYR 4 2HB TYR 4 12.566 0.743 -4.041 35 2HB TYR 4 3HB TYR 4 11.574 0.649 -5.492 36 HD1 TYR 4 HD1 TYR 4 14.797 1.884 -4.155 37 HD2 TYR 4 HD2 TYR 4 12.510 1.018 -7.637 38 HE1 TYR 4 HE1 TYR 4 16.811 2.163 -5.539 39 HE2 TYR 4 HE2 TYR 4 14.517 1.294 -9.031 40 HH TYR 4 HH TYR 4 17.029 1.123 -8.697 41 H VAL 5 H VAL 5 12.892 4.614 -3.786 42 HA VAL 5 HA VAL 5 13.248 5.675 -6.514 43 HB VAL 5 HB VAL 5 13.350 7.950 -5.392 44 1HG1 VAL 5 1HG1 VAL 5 10.610 7.003 -4.918 45 2HG1 VAL 5 2HG1 VAL 5 11.205 8.276 -5.986 46 3HG1 VAL 5 3HG1 VAL 5 11.281 6.588 -6.495 47 1HG2 VAL 5 1HG2 VAL 5 13.111 8.158 -3.191 48 2HG2 VAL 5 2HG2 VAL 5 11.630 7.200 -3.204 49 3HG2 VAL 5 3HG2 VAL 5 13.197 6.401 -3.073 50 H GLY 6 H GLY 6 15.307 5.161 -7.003 51 1HA GLY 6 2HA GLY 6 17.383 5.726 -4.985 52 2HA GLY 6 3HA GLY 6 17.551 4.572 -6.299 53 H ASN 7 H ASN 7 19.600 5.824 -6.561 54 HA ASN 7 HA ASN 7 20.888 7.251 -7.775 55 1HB ASN 7 2HB ASN 7 18.289 7.479 -9.286 56 2HB ASN 7 3HB ASN 7 19.739 8.345 -9.784 57 1HD2 ASN 7 1HD2 ASN 7 18.972 5.066 -8.653 58 2HD2 ASN 7 2HD2 ASN 7 19.813 4.250 -9.923 59 H LEU 8 H LEU 8 20.763 8.448 -5.644 60 HA LEU 8 HA LEU 8 19.651 11.137 -6.108 61 1HB LEU 8 2HB LEU 8 19.977 9.808 -3.425 62 2HB LEU 8 3HB LEU 8 19.219 11.364 -3.759 63 HG LEU 8 HG LEU 8 17.714 9.631 -5.266 64 1HD1 LEU 8 1HD1 LEU 8 19.069 7.839 -3.926 65 2HD1 LEU 8 2HD1 LEU 8 17.333 7.649 -4.173 66 3HD1 LEU 8 3HD1 LEU 8 17.943 8.252 -2.633 67 1HD2 LEU 8 1HD2 LEU 8 17.334 10.700 -2.478 68 2HD2 LEU 8 2HD2 LEU 8 16.060 9.880 -3.382 69 3HD2 LEU 8 3HD2 LEU 8 16.750 11.385 -3.994 70 H GLY 9 H GLY 9 21.367 12.339 -6.661 71 1HA GLY 9 2HA GLY 9 24.008 11.853 -5.693 72 2HA GLY 9 3HA GLY 9 23.486 13.244 -6.631 73 H THR 10 H THR 10 23.258 15.159 -5.636 74 HA THR 10 HA THR 10 23.082 15.226 -2.711 75 HB THR 10 HB THR 10 24.806 16.966 -2.564 76 HG1 THR 10 HG1 THR 10 25.112 17.933 -4.446 77 1HG2 THR 10 1HG2 THR 10 26.763 15.550 -2.942 78 2HG2 THR 10 2HG2 THR 10 25.796 14.467 -3.943 79 3HG2 THR 10 3HG2 THR 10 25.448 14.623 -2.221 80 H GLY 11 H GLY 11 21.513 15.956 -5.314 81 1HA GLY 11 2HA GLY 11 20.768 18.672 -4.414 82 2HA GLY 11 3HA GLY 11 20.739 18.181 -6.101 83 H ALA 12 H ALA 12 19.682 15.484 -5.168 84 HA ALA 12 HA ALA 12 16.928 16.317 -4.542 85 1HB ALA 12 1HB ALA 12 16.299 14.313 -6.081 86 2HB ALA 12 2HB ALA 12 16.690 15.879 -6.793 87 3HB ALA 12 3HB ALA 12 17.894 14.591 -6.779 88 H GLY 13 H GLY 13 16.660 15.569 -2.520 89 1HA GLY 13 2HA GLY 13 17.178 12.700 -2.076 90 2HA GLY 13 3HA GLY 13 17.675 13.892 -0.884 91 H LYS 14 H LYS 14 16.374 13.850 0.812 92 HA LYS 14 HA LYS 14 13.812 12.716 0.854 93 1HB LYS 14 2HB LYS 14 15.454 13.247 2.797 94 2HB LYS 14 3HB LYS 14 14.669 14.821 2.818 95 1HG LYS 14 2HG LYS 14 12.732 14.001 3.663 96 2HG LYS 14 3HG LYS 14 12.913 12.438 2.862 97 1HD LYS 14 2HD LYS 14 13.210 11.965 5.137 98 2HD LYS 14 3HD LYS 14 14.850 12.038 4.489 99 1HE LYS 14 2HE LYS 14 15.064 14.336 5.297 100 2HE LYS 14 3HE LYS 14 13.422 14.270 5.933 101 1HZ LYS 14 1HZ LYS 14 15.859 13.231 7.045 102 2HZ LYS 14 2HZ LYS 14 14.599 12.103 7.045 103 3HZ LYS 14 3HZ LYS 14 14.394 13.599 7.807 104 H GLY 15 H GLY 15 14.790 16.144 0.851 105 1HA GLY 15 2HA GLY 15 12.210 17.238 0.852 106 2HA GLY 15 3HA GLY 15 13.650 18.039 0.239 107 H GLU 16 H GLU 16 14.282 16.265 -1.851 108 HA GLU 16 HA GLU 16 12.594 17.265 -3.888 109 1HB GLU 16 2HB GLU 16 15.106 16.093 -3.775 110 2HB GLU 16 3HB GLU 16 14.140 14.916 -4.654 111 1HG GLU 16 2HG GLU 16 14.743 16.153 -6.425 112 2HG GLU 16 3HG GLU 16 13.384 17.156 -5.921 113 H LEU 17 H LEU 17 13.108 13.917 -2.764 114 HA LEU 17 HA LEU 17 11.058 12.764 -4.282 115 1HB LEU 17 2HB LEU 17 11.833 10.886 -3.391 116 2HB LEU 17 3HB LEU 17 12.984 11.881 -2.502 117 HG LEU 17 HG LEU 17 11.101 12.020 -0.719 118 1HD1 LEU 17 1HD1 LEU 17 9.217 11.014 -1.396 119 2HD1 LEU 17 2HD1 LEU 17 10.044 9.526 -0.937 120 3HD1 LEU 17 3HD1 LEU 17 10.048 10.054 -2.620 121 1HD2 LEU 17 1HD2 LEU 17 13.363 10.608 -0.894 122 2HD2 LEU 17 2HD2 LEU 17 12.206 9.278 -0.837 123 3HD2 LEU 17 3HD2 LEU 17 12.249 10.467 0.466 124 H GLU 18 H GLU 18 11.010 14.432 -1.217 125 HA GLU 18 HA GLU 18 8.424 13.572 -0.400 126 1HB GLU 18 2HB GLU 18 9.921 14.425 1.263 127 2HB GLU 18 3HB GLU 18 10.121 15.938 0.391 128 1HG GLU 18 2HG GLU 18 7.346 15.437 1.011 129 2HG GLU 18 3HG GLU 18 8.351 15.423 2.459 130 H ARG 19 H ARG 19 9.615 16.509 -2.007 131 HA ARG 19 HA ARG 19 7.137 17.814 -2.207 132 1HB ARG 19 2HB ARG 19 9.276 18.959 -2.551 133 2HB ARG 19 3HB ARG 19 9.552 18.022 -4.013 134 1HG ARG 19 2HG ARG 19 8.469 19.533 -5.207 135 2HG ARG 19 3HG ARG 19 7.019 19.289 -4.232 136 1HD ARG 19 2HD ARG 19 9.301 21.131 -3.530 137 2HD ARG 19 3HD ARG 19 7.773 21.637 -4.248 138 HE ARG 19 HE ARG 19 7.393 20.177 -1.826 139 1HH1 ARG 19 1HH1 ARG 19 8.202 23.305 -3.122 140 2HH1 ARG 19 2HH1 ARG 19 7.638 24.171 -1.732 141 1HH2 ARG 19 1HH2 ARG 19 6.647 21.306 0.010 142 2HH2 ARG 19 2HH2 ARG 19 6.754 23.034 0.049 143 H ALA 20 H ALA 20 8.783 15.565 -4.384 144 HA ALA 20 HA ALA 20 6.912 15.748 -6.500 145 1HB ALA 20 1HB ALA 20 9.336 14.715 -6.376 146 2HB ALA 20 2HB ALA 20 8.434 13.232 -6.062 147 3HB ALA 20 3HB ALA 20 8.150 14.139 -7.547 148 H PHE 21 H PHE 21 7.426 13.062 -4.202 149 HA PHE 21 HA PHE 21 5.185 11.584 -4.812 150 1HB PHE 21 2HB PHE 21 6.877 11.877 -2.381 151 2HB PHE 21 3HB PHE 21 5.343 11.032 -2.205 152 HD1 PHE 21 HD1 PHE 21 5.213 8.779 -2.698 153 HD2 PHE 21 HD2 PHE 21 8.420 11.076 -4.295 154 HE1 PHE 21 HE1 PHE 21 6.245 6.723 -3.572 155 HE2 PHE 21 HE2 PHE 21 9.457 9.025 -5.173 156 HZ PHE 21 HZ PHE 21 8.369 6.845 -4.813 157 H SER 22 H SER 22 5.473 14.186 -2.412 158 HA SER 22 HA SER 22 2.831 14.066 -1.466 159 1HB SER 22 2HB SER 22 4.633 15.272 -0.292 160 2HB SER 22 3HB SER 22 4.678 16.464 -1.591 161 HG SER 22 HG SER 22 2.515 15.926 0.166 162 H TYR 23 H TYR 23 4.300 15.963 -4.071 163 HA TYR 23 HA TYR 23 2.115 17.554 -4.733 164 1HB TYR 23 2HB TYR 23 4.582 16.668 -6.078 165 2HB TYR 23 3HB TYR 23 3.276 17.129 -7.165 166 HD1 TYR 23 HD1 TYR 23 4.111 18.570 -3.839 167 HD2 TYR 23 HD2 TYR 23 4.016 19.165 -8.051 168 HE1 TYR 23 HE1 TYR 23 4.682 20.940 -3.511 169 HE2 TYR 23 HE2 TYR 23 4.588 21.536 -7.735 170 HH TYR 23 HH TYR 23 4.438 23.249 -5.995 171 H TYR 24 H TYR 24 2.939 14.280 -5.777 172 HA TYR 24 HA TYR 24 0.745 14.061 -7.598 173 1HB TYR 24 2HB TYR 24 2.781 12.174 -6.481 174 2HB TYR 24 3HB TYR 24 1.363 11.520 -7.293 175 HD1 TYR 24 HD1 TYR 24 1.458 11.178 -9.578 176 HD2 TYR 24 HD2 TYR 24 4.057 14.054 -7.824 177 HE1 TYR 24 HE1 TYR 24 2.544 11.518 -11.759 178 HE2 TYR 24 HE2 TYR 24 5.148 14.404 -9.999 179 HH TYR 24 HH TYR 24 4.820 14.085 -12.297 180 H GLY 25 H GLY 25 1.327 13.125 -4.247 181 1HA GLY 25 2HA GLY 25 -1.277 13.309 -3.381 182 2HA GLY 25 3HA GLY 25 -1.110 11.658 -3.962 183 HA PRO 26 HA PRO 26 0.561 12.310 0.468 184 1HB PRO 26 2HB PRO 26 -1.558 11.356 1.872 185 2HB PRO 26 3HB PRO 26 -1.366 13.065 1.466 186 1HG PRO 26 2HG PRO 26 -3.037 10.976 0.123 187 2HG PRO 26 3HG PRO 26 -3.449 12.655 0.517 188 1HD PRO 26 2HD PRO 26 -2.706 11.883 -1.970 189 2HD PRO 26 3HD PRO 26 -2.334 13.492 -1.319 190 H LEU 27 H LEU 27 1.971 10.668 0.571 191 HA LEU 27 HA LEU 27 1.141 7.948 -0.003 192 1HB LEU 27 2HB LEU 27 3.619 7.518 0.561 193 2HB LEU 27 3HB LEU 27 3.213 8.377 -0.924 194 HG LEU 27 HG LEU 27 3.785 10.501 0.149 195 1HD1 LEU 27 1HD1 LEU 27 4.942 10.456 2.342 196 2HD1 LEU 27 2HD1 LEU 27 4.470 8.766 2.515 197 3HD1 LEU 27 3HD1 LEU 27 3.235 10.022 2.435 198 1HD2 LEU 27 1HD2 LEU 27 6.218 9.048 0.801 199 2HD2 LEU 27 2HD2 LEU 27 5.916 10.245 -0.458 200 3HD2 LEU 27 3HD2 LEU 27 5.517 8.549 -0.739 201 H ARG 28 H ARG 28 2.426 6.307 1.572 202 HA ARG 28 HA ARG 28 1.123 6.652 4.135 203 1HB ARG 28 2HB ARG 28 1.061 4.487 2.915 204 2HB ARG 28 3HB ARG 28 2.801 4.348 3.130 205 1HG ARG 28 2HG ARG 28 1.754 4.809 5.685 206 2HG ARG 28 3HG ARG 28 0.680 3.635 4.921 207 1HD ARG 28 2HD ARG 28 3.093 2.647 4.205 208 2HD ARG 28 3HD ARG 28 3.491 3.375 5.761 209 HE ARG 28 HE ARG 28 2.308 1.714 6.794 210 1HH1 ARG 28 1HH1 ARG 28 1.416 1.815 3.431 211 2HH1 ARG 28 2HH1 ARG 28 0.458 0.373 3.507 212 1HH2 ARG 28 1HH2 ARG 28 1.050 -0.185 6.908 213 2HH2 ARG 28 2HH2 ARG 28 0.250 -0.763 5.486 214 H THR 29 H THR 29 4.439 5.986 3.014 215 HA THR 29 HA THR 29 5.526 7.643 5.114 216 HB THR 29 HB THR 29 7.119 5.569 5.663 217 HG1 THR 29 HG1 THR 29 4.759 4.489 4.622 218 1HG2 THR 29 1HG2 THR 29 6.191 5.629 7.735 219 2HG2 THR 29 2HG2 THR 29 4.547 5.453 7.121 220 3HG2 THR 29 3HG2 THR 29 5.348 7.023 7.061 221 H VAL 30 H VAL 30 7.940 7.748 4.977 222 HA VAL 30 HA VAL 30 9.086 6.890 2.444 223 HB VAL 30 HB VAL 30 8.199 8.974 1.726 224 1HG1 VAL 30 1HG1 VAL 30 7.619 10.047 3.750 225 2HG1 VAL 30 2HG1 VAL 30 9.294 10.068 4.306 226 3HG1 VAL 30 3HG1 VAL 30 8.796 11.099 2.964 227 1HG2 VAL 30 1HG2 VAL 30 10.125 10.073 0.980 228 2HG2 VAL 30 2HG2 VAL 30 11.025 9.687 2.447 229 3HG2 VAL 30 3HG2 VAL 30 10.662 8.419 1.276 230 H TRP 31 H TRP 31 11.283 6.653 2.507 231 HA TRP 31 HA TRP 31 12.861 7.816 4.622 232 1HB TRP 31 2HB TRP 31 13.636 5.656 5.533 233 2HB TRP 31 3HB TRP 31 11.914 5.907 5.806 234 HD1 TRP 31 HD1 TRP 31 10.301 4.628 3.823 235 HE1 TRP 31 HE1 TRP 31 10.591 2.240 2.907 236 HE3 TRP 31 HE3 TRP 31 15.196 3.864 5.085 237 HZ2 TRP 31 HZ2 TRP 31 12.626 0.290 2.743 238 HZ3 TRP 31 HZ3 TRP 31 16.239 1.711 4.514 239 HH2 TRP 31 HH2 TRP 31 14.979 -0.038 3.367 240 H ILE 32 H ILE 32 14.933 8.069 4.003 241 HA ILE 32 HA ILE 32 15.734 6.802 1.470 242 HB ILE 32 HB ILE 32 16.882 9.293 2.733 243 1HG1 ILE 32 2HG1 ILE 32 15.650 10.107 0.439 244 2HG1 ILE 32 3HG1 ILE 32 14.550 8.846 0.983 245 1HG2 ILE 32 1HG2 ILE 32 18.567 8.649 1.356 246 2HG2 ILE 32 2HG2 ILE 32 17.503 7.713 0.308 247 3HG2 ILE 32 3HG2 ILE 32 17.562 9.470 0.162 248 1HD1 ILE 32 1HD1 ILE 32 14.390 9.982 3.165 249 2HD1 ILE 32 2HD1 ILE 32 15.408 11.276 2.533 250 3HD1 ILE 32 3HD1 ILE 32 13.823 10.973 1.821 251 H ALA 33 H ALA 33 17.868 6.015 1.229 252 HA ALA 33 HA ALA 33 19.094 5.196 3.773 253 1HB ALA 33 1HB ALA 33 19.878 3.262 2.732 254 2HB ALA 33 2HB ALA 33 18.264 3.481 2.055 255 3HB ALA 33 3HB ALA 33 19.684 3.940 1.115 256 H ARG 34 H ARG 34 20.697 6.527 4.332 257 HA ARG 34 HA ARG 34 22.241 7.981 2.399 258 1HB ARG 34 2HB ARG 34 21.737 8.144 5.191 259 2HB ARG 34 3HB ARG 34 23.477 8.008 4.976 260 1HG ARG 34 2HG ARG 34 23.433 9.916 3.444 261 2HG ARG 34 3HG ARG 34 21.690 10.056 3.679 262 1HD ARG 34 2HD ARG 34 22.111 10.379 6.112 263 2HD ARG 34 3HD ARG 34 23.840 10.399 5.764 264 HE ARG 34 HE ARG 34 21.987 12.533 5.372 265 1HH1 ARG 34 1HH1 ARG 34 24.917 11.100 4.155 266 2HH1 ARG 34 2HH1 ARG 34 25.513 12.580 3.478 267 1HH2 ARG 34 1HH2 ARG 34 22.761 14.487 4.485 268 2HH2 ARG 34 2HH2 ARG 34 24.286 14.505 3.667 269 H ASN 35 H ASN 35 22.551 4.979 4.086 270 HA ASN 35 HA ASN 35 25.258 4.545 4.192 271 1HB ASN 35 2HB ASN 35 22.872 2.883 4.078 272 2HB ASN 35 3HB ASN 35 24.248 2.108 3.298 273 1HD2 ASN 35 1HD2 ASN 35 22.677 2.544 6.160 274 2HD2 ASN 35 2HD2 ASN 35 23.950 2.123 7.250 275 HA PRO 36 HA PRO 36 25.278 2.968 -0.373 276 1HB PRO 36 2HB PRO 36 23.046 3.405 -1.856 277 2HB PRO 36 3HB PRO 36 23.287 1.945 -0.889 278 1HG PRO 36 2HG PRO 36 21.706 4.404 -0.245 279 2HG PRO 36 3HG PRO 36 21.281 2.702 0.011 280 1HD PRO 36 2HD PRO 36 22.209 4.288 2.001 281 2HD PRO 36 3HD PRO 36 22.544 2.546 1.933 282 HA PRO 37 HA PRO 37 26.284 6.783 -2.315 283 1HB PRO 37 2HB PRO 37 26.180 6.184 -4.961 284 2HB PRO 37 3HB PRO 37 27.454 5.588 -3.891 285 1HG PRO 37 2HG PRO 37 24.986 4.196 -4.857 286 2HG PRO 37 3HG PRO 37 26.640 3.571 -4.715 287 1HD PRO 37 2HD PRO 37 24.718 3.038 -2.883 288 2HD PRO 37 3HD PRO 37 26.434 3.187 -2.451 289 H GLY 38 H GLY 38 23.248 5.298 -3.089 290 1HA GLY 38 2HA GLY 38 21.761 7.633 -3.038 291 2HA GLY 38 3HA GLY 38 22.194 7.375 -4.722 292 H PHE 39 H PHE 39 20.531 5.969 -1.951 293 HA PHE 39 HA PHE 39 18.635 4.718 -3.771 294 1HB PHE 39 2HB PHE 39 20.401 3.208 -1.868 295 2HB PHE 39 3HB PHE 39 18.803 2.594 -2.278 296 HD1 PHE 39 HD1 PHE 39 18.500 3.116 -5.073 297 HD2 PHE 39 HD2 PHE 39 21.987 1.940 -2.936 298 HE1 PHE 39 HE1 PHE 39 19.413 2.110 -7.124 299 HE2 PHE 39 HE2 PHE 39 22.907 0.932 -4.983 300 HZ PHE 39 HZ PHE 39 21.620 1.017 -7.081 301 H ALA 40 H ALA 40 16.669 5.213 -3.087 302 HA ALA 40 HA ALA 40 16.190 5.432 -0.190 303 1HB ALA 40 1HB ALA 40 16.097 7.537 -2.057 304 2HB ALA 40 2HB ALA 40 14.428 7.172 -1.619 305 3HB ALA 40 3HB ALA 40 15.603 7.564 -0.364 306 H PHE 41 H PHE 41 14.057 4.942 0.509 307 HA PHE 41 HA PHE 41 12.441 3.464 -1.460 308 1HB PHE 41 2HB PHE 41 13.561 2.581 1.109 309 2HB PHE 41 3HB PHE 41 11.845 2.237 0.918 310 HD1 PHE 41 HD1 PHE 41 11.255 0.244 -0.048 311 HD2 PHE 41 HD2 PHE 41 15.023 1.969 -1.019 312 HE1 PHE 41 HE1 PHE 41 11.802 -1.729 -1.413 313 HE2 PHE 41 HE2 PHE 41 15.576 0.000 -2.387 314 HZ PHE 41 HZ PHE 41 13.965 -1.852 -2.586 315 H VAL 42 H VAL 42 10.207 3.580 -1.247 316 HA VAL 42 HA VAL 42 9.137 5.331 0.848 317 HB VAL 42 HB VAL 42 8.392 5.664 -2.058 318 1HG1 VAL 42 1HG1 VAL 42 6.604 6.297 -0.606 319 2HG1 VAL 42 2HG1 VAL 42 7.701 7.201 0.440 320 3HG1 VAL 42 3HG1 VAL 42 7.367 7.773 -1.195 321 1HG2 VAL 42 1HG2 VAL 42 9.677 7.715 -2.051 322 2HG2 VAL 42 2HG2 VAL 42 10.156 7.443 -0.376 323 3HG2 VAL 42 3HG2 VAL 42 10.725 6.356 -1.643 324 H GLU 43 H GLU 43 6.904 5.053 1.275 325 HA GLU 43 HA GLU 43 5.735 2.616 0.103 326 1HB GLU 43 2HB GLU 43 6.549 2.896 2.717 327 2HB GLU 43 3HB GLU 43 4.835 3.277 2.811 328 1HG GLU 43 2HG GLU 43 4.460 1.099 2.914 329 2HG GLU 43 3HG GLU 43 4.937 1.014 1.219 330 H PHE 44 H PHE 44 3.779 2.844 -0.766 331 HA PHE 44 HA PHE 44 2.307 5.332 -0.217 332 1HB PHE 44 2HB PHE 44 3.072 4.108 -2.655 333 2HB PHE 44 3HB PHE 44 1.321 3.968 -2.538 334 HD1 PHE 44 HD1 PHE 44 3.857 5.944 -3.761 335 HD2 PHE 44 HD2 PHE 44 0.199 6.252 -1.607 336 HE1 PHE 44 HE1 PHE 44 3.628 8.283 -4.490 337 HE2 PHE 44 HE2 PHE 44 -0.037 8.591 -2.334 338 HZ PHE 44 HZ PHE 44 1.679 9.609 -3.778 339 H GLU 45 H GLU 45 0.413 5.205 0.790 340 HA GLU 45 HA GLU 45 -0.615 2.938 1.948 341 1HB GLU 45 2HB GLU 45 -2.703 4.185 2.259 342 2HB GLU 45 3HB GLU 45 -1.301 5.190 2.597 343 1HG GLU 45 2HG GLU 45 -1.522 6.086 0.254 344 2HG GLU 45 3HG GLU 45 -3.075 5.254 0.175 345 H ASP 46 H ASP 46 -1.302 4.256 -1.242 346 HA ASP 46 HA ASP 46 -2.819 1.804 -1.850 347 1HB ASP 46 2HB ASP 46 -3.564 4.593 -2.185 348 2HB ASP 46 3HB ASP 46 -3.633 3.714 -3.710 349 HA PRO 47 HA PRO 47 0.076 1.029 -5.061 350 1HB PRO 47 2HB PRO 47 -1.483 -0.369 -6.789 351 2HB PRO 47 3HB PRO 47 -0.904 -1.040 -5.259 352 1HG PRO 47 2HG PRO 47 -3.574 0.143 -5.920 353 2HG PRO 47 3HG PRO 47 -3.197 -1.313 -4.980 354 1HD PRO 47 2HD PRO 47 -3.829 1.049 -3.816 355 2HD PRO 47 3HD PRO 47 -2.706 -0.110 -3.076 356 H ARG 48 H ARG 48 -3.123 2.125 -6.184 357 HA ARG 48 HA ARG 48 -2.443 2.952 -8.732 358 1HB ARG 48 2HB ARG 48 -4.747 2.896 -7.985 359 2HB ARG 48 3HB ARG 48 -4.433 4.165 -6.809 360 1HG ARG 48 2HG ARG 48 -3.911 5.700 -8.692 361 2HG ARG 48 3HG ARG 48 -4.408 4.424 -9.806 362 1HD ARG 48 2HD ARG 48 -6.235 5.971 -9.454 363 2HD ARG 48 3HD ARG 48 -6.632 4.403 -8.754 364 HE ARG 48 HE ARG 48 -5.519 5.903 -6.719 365 1HH1 ARG 48 1HH1 ARG 48 -8.284 6.106 -8.824 366 2HH1 ARG 48 2HH1 ARG 48 -9.256 6.970 -7.679 367 1HH2 ARG 48 1HH2 ARG 48 -6.788 7.040 -5.203 368 2HH2 ARG 48 2HH2 ARG 48 -8.404 7.502 -5.620 369 H ASP 49 H ASP 49 -2.380 4.872 -5.735 370 HA ASP 49 HA ASP 49 -1.440 7.253 -6.863 371 1HB ASP 49 2HB ASP 49 -0.828 6.253 -4.077 372 2HB ASP 49 3HB ASP 49 -0.874 7.927 -4.621 373 H ALA 50 H ALA 50 0.285 4.427 -5.650 374 HA ALA 50 HA ALA 50 2.887 5.546 -5.842 375 1HB ALA 50 1HB ALA 50 3.247 3.721 -4.627 376 2HB ALA 50 2HB ALA 50 1.720 3.001 -5.140 377 3HB ALA 50 3HB ALA 50 3.168 2.793 -6.125 378 H GLU 51 H GLU 51 0.908 3.596 -8.035 379 HA GLU 51 HA GLU 51 2.856 3.161 -10.009 380 1HB GLU 51 2HB GLU 51 0.844 1.863 -10.042 381 2HB GLU 51 3HB GLU 51 -0.154 3.305 -10.170 382 1HG GLU 51 2HG GLU 51 0.274 3.578 -12.395 383 2HG GLU 51 3HG GLU 51 1.840 2.776 -12.306 384 H ASP 52 H ASP 52 0.486 5.761 -9.602 385 HA ASP 52 HA ASP 52 1.112 7.109 -12.013 386 1HB ASP 52 2HB ASP 52 -0.691 7.455 -9.833 387 2HB ASP 52 3HB ASP 52 0.179 8.970 -10.064 388 H ALA 53 H ALA 53 2.161 7.592 -8.655 389 HA ALA 53 HA ALA 53 3.756 9.846 -9.063 390 1HB ALA 53 1HB ALA 53 5.061 8.665 -7.042 391 2HB ALA 53 2HB ALA 53 3.523 9.505 -6.840 392 3HB ALA 53 3HB ALA 53 3.554 7.749 -6.994 393 H VAL 54 H VAL 54 4.554 6.403 -9.303 394 HA VAL 54 HA VAL 54 7.318 6.755 -9.790 395 HB VAL 54 HB VAL 54 5.499 4.462 -10.538 396 1HG1 VAL 54 1HG1 VAL 54 8.028 3.438 -10.282 397 2HG1 VAL 54 2HG1 VAL 54 7.216 3.792 -11.808 398 3HG1 VAL 54 3HG1 VAL 54 8.318 4.973 -11.099 399 1HG2 VAL 54 1HG2 VAL 54 7.382 3.910 -8.451 400 2HG2 VAL 54 2HG2 VAL 54 6.445 5.347 -8.042 401 3HG2 VAL 54 3HG2 VAL 54 5.620 3.832 -8.411 402 H ARG 55 H ARG 55 4.675 5.937 -12.048 403 HA ARG 55 HA ARG 55 6.102 6.044 -14.407 404 1HB ARG 55 2HB ARG 55 3.230 6.650 -13.760 405 2HB ARG 55 3HB ARG 55 3.836 6.809 -15.403 406 1HG ARG 55 2HG ARG 55 4.430 4.483 -15.468 407 2HG ARG 55 3HG ARG 55 4.009 4.290 -13.765 408 1HD ARG 55 2HD ARG 55 2.186 3.436 -15.014 409 2HD ARG 55 3HD ARG 55 1.673 4.999 -14.379 410 HE ARG 55 HE ARG 55 2.681 5.536 -16.869 411 1HH1 ARG 55 1HH1 ARG 55 0.181 3.485 -15.580 412 2HH1 ARG 55 2HH1 ARG 55 -0.804 3.570 -17.003 413 1HH2 ARG 55 1HH2 ARG 55 1.393 5.656 -18.748 414 2HH2 ARG 55 2HH2 ARG 55 -0.113 4.805 -18.805 415 H GLY 56 H GLY 56 4.743 8.685 -12.519 416 1HA GLY 56 2HA GLY 56 5.223 10.699 -14.492 417 2HA GLY 56 3HA GLY 56 4.839 10.972 -12.799 418 H LEU 57 H LEU 57 6.724 10.331 -11.280 419 HA LEU 57 HA LEU 57 8.824 12.071 -11.653 420 1HB LEU 57 2HB LEU 57 8.372 9.700 -9.929 421 2HB LEU 57 3HB LEU 57 10.018 10.317 -10.046 422 HG LEU 57 HG LEU 57 9.330 12.454 -9.167 423 1HD1 LEU 57 1HD1 LEU 57 6.611 11.352 -9.622 424 2HD1 LEU 57 2HD1 LEU 57 7.233 12.981 -9.884 425 3HD1 LEU 57 3HD1 LEU 57 6.852 12.435 -8.251 426 1HD2 LEU 57 1HD2 LEU 57 8.977 9.957 -7.744 427 2HD2 LEU 57 2HD2 LEU 57 8.000 11.253 -7.052 428 3HD2 LEU 57 3HD2 LEU 57 9.744 11.457 -7.221 429 H ASP 58 H ASP 58 8.790 8.572 -12.290 430 HA ASP 58 HA ASP 58 11.446 8.513 -13.319 431 1HB ASP 58 2HB ASP 58 9.815 6.594 -12.420 432 2HB ASP 58 3HB ASP 58 9.487 6.432 -14.144 433 H GLY 59 H GLY 59 8.254 8.897 -14.742 434 1HA GLY 59 2HA GLY 59 9.100 8.602 -17.450 435 2HA GLY 59 3HA GLY 59 7.580 9.298 -16.907 436 H LYS 60 H LYS 60 9.393 11.149 -15.196 437 HA LYS 60 HA LYS 60 10.743 12.804 -17.087 438 1HB LYS 60 2HB LYS 60 8.042 13.156 -17.144 439 2HB LYS 60 3HB LYS 60 8.509 14.337 -15.927 440 1HG LYS 60 2HG LYS 60 10.112 14.325 -18.401 441 2HG LYS 60 3HG LYS 60 8.436 14.858 -18.554 442 1HD LYS 60 2HD LYS 60 8.747 16.617 -17.020 443 2HD LYS 60 3HD LYS 60 10.268 15.941 -16.430 444 1HE LYS 60 2HE LYS 60 11.026 17.635 -17.790 445 2HE LYS 60 3HE LYS 60 11.035 16.270 -18.905 446 1HZ LYS 60 1HZ LYS 60 10.008 18.420 -19.721 447 2HZ LYS 60 2HZ LYS 60 8.713 18.088 -18.685 448 3HZ LYS 60 3HZ LYS 60 9.091 17.015 -19.937 449 H VAL 61 H VAL 61 12.316 13.798 -16.014 450 HA VAL 61 HA VAL 61 12.824 13.573 -13.334 451 HB VAL 61 HB VAL 61 14.462 15.301 -13.542 452 1HG1 VAL 61 1HG1 VAL 61 14.450 14.285 -16.337 453 2HG1 VAL 61 2HG1 VAL 61 15.767 14.355 -15.164 454 3HG1 VAL 61 3HG1 VAL 61 14.520 13.116 -15.019 455 1HG2 VAL 61 1HG2 VAL 61 14.365 16.556 -15.895 456 2HG2 VAL 61 2HG2 VAL 61 12.636 16.307 -15.648 457 3HG2 VAL 61 3HG2 VAL 61 13.581 17.189 -14.448 458 H ILE 62 H ILE 62 12.727 15.047 -11.558 459 HA ILE 62 HA ILE 62 10.464 16.928 -11.736 460 HB ILE 62 HB ILE 62 9.832 15.127 -10.300 461 1HG1 ILE 62 2HG1 ILE 62 9.739 17.712 -9.538 462 2HG1 ILE 62 3HG1 ILE 62 9.044 16.403 -8.588 463 1HG2 ILE 62 1HG2 ILE 62 11.960 14.142 -9.822 464 2HG2 ILE 62 2HG2 ILE 62 12.475 15.569 -8.925 465 3HG2 ILE 62 3HG2 ILE 62 11.188 14.546 -8.289 466 1HD1 ILE 62 1HD1 ILE 62 10.494 18.119 -7.386 467 2HD1 ILE 62 2HD1 ILE 62 10.816 16.413 -7.074 468 3HD1 ILE 62 3HD1 ILE 62 11.862 17.322 -8.164 469 H CYS 63 H CYS 63 10.920 18.996 -11.395 470 HA CYS 63 HA CYS 63 12.134 20.884 -10.981 471 1HB CYS 63 2HB CYS 63 11.336 19.990 -8.671 472 2HB CYS 63 3HB CYS 63 13.031 19.586 -8.425 473 HG CYS 63 HG CYS 63 12.256 22.752 -9.362 474 H GLY 64 H GLY 64 13.528 19.023 -12.559 475 1HA GLY 64 2HA GLY 64 15.649 18.887 -13.458 476 2HA GLY 64 3HA GLY 64 16.201 19.991 -12.207 477 H SER 65 H SER 65 14.554 16.975 -11.527 478 HA SER 65 HA SER 65 17.103 15.839 -10.586 479 1HB SER 65 2HB SER 65 14.451 15.519 -9.167 480 2HB SER 65 3HB SER 65 16.036 14.992 -8.602 481 HG SER 65 HG SER 65 15.252 17.687 -9.041 482 H ARG 66 H ARG 66 17.429 14.371 -12.182 483 HA ARG 66 HA ARG 66 15.295 12.742 -13.215 484 1HB ARG 66 2HB ARG 66 17.441 13.563 -14.430 485 2HB ARG 66 3HB ARG 66 18.213 12.188 -13.651 486 1HG ARG 66 2HG ARG 66 17.289 10.724 -15.060 487 2HG ARG 66 3HG ARG 66 15.713 11.515 -14.997 488 1HD ARG 66 2HD ARG 66 17.048 13.352 -16.401 489 2HD ARG 66 3HD ARG 66 17.983 11.928 -16.856 490 HE ARG 66 HE ARG 66 15.274 11.316 -17.145 491 1HH1 ARG 66 1HH1 ARG 66 17.675 13.404 -18.557 492 2HH1 ARG 66 2HH1 ARG 66 16.926 13.425 -20.119 493 1HH2 ARG 66 1HH2 ARG 66 14.278 11.336 -19.197 494 2HH2 ARG 66 2HH2 ARG 66 14.993 12.250 -20.482 495 H VAL 67 H VAL 67 15.001 12.185 -10.726 496 HA VAL 67 HA VAL 67 16.681 10.206 -9.597 497 HB VAL 67 HB VAL 67 13.756 10.524 -8.958 498 1HG1 VAL 67 1HG1 VAL 67 16.174 9.571 -7.448 499 2HG1 VAL 67 2HG1 VAL 67 14.667 10.010 -6.643 500 3HG1 VAL 67 3HG1 VAL 67 14.691 8.690 -7.812 501 1HG2 VAL 67 1HG2 VAL 67 14.211 12.696 -8.598 502 2HG2 VAL 67 2HG2 VAL 67 15.006 12.106 -7.139 503 3HG2 VAL 67 3HG2 VAL 67 15.955 12.435 -8.588 504 H ARG 68 H ARG 68 16.086 7.963 -9.163 505 HA ARG 68 HA ARG 68 14.735 6.766 -11.484 506 1HB ARG 68 2HB ARG 68 17.245 6.275 -10.492 507 2HB ARG 68 3HB ARG 68 16.302 4.987 -9.754 508 1HG ARG 68 2HG ARG 68 16.428 5.582 -12.703 509 2HG ARG 68 3HG ARG 68 17.317 4.303 -11.873 510 1HD ARG 68 2HD ARG 68 15.568 2.947 -12.045 511 2HD ARG 68 3HD ARG 68 14.563 4.104 -11.173 512 HE ARG 68 HE ARG 68 13.592 4.669 -13.157 513 1HH1 ARG 68 1HH1 ARG 68 16.646 3.132 -13.811 514 2HH1 ARG 68 2HH1 ARG 68 16.416 3.111 -15.529 515 1HH2 ARG 68 1HH2 ARG 68 13.277 4.647 -15.416 516 2HH2 ARG 68 2HH2 ARG 68 14.500 3.973 -16.440 517 H VAL 69 H VAL 69 12.657 6.414 -10.981 518 HA VAL 69 HA VAL 69 12.030 5.236 -8.357 519 HB VAL 69 HB VAL 69 10.120 6.564 -10.284 520 1HG1 VAL 69 1HG1 VAL 69 8.633 6.619 -8.295 521 2HG1 VAL 69 2HG1 VAL 69 9.001 4.987 -8.857 522 3HG1 VAL 69 3HG1 VAL 69 9.815 5.634 -7.433 523 1HG2 VAL 69 1HG2 VAL 69 11.911 7.662 -8.231 524 2HG2 VAL 69 2HG2 VAL 69 11.156 8.448 -9.617 525 3HG2 VAL 69 3HG2 VAL 69 10.238 8.209 -8.130 526 H GLU 70 H GLU 70 10.806 3.376 -8.204 527 HA GLU 70 HA GLU 70 9.724 2.095 -10.543 528 1HB GLU 70 2HB GLU 70 12.405 1.551 -9.866 529 2HB GLU 70 3HB GLU 70 11.478 0.153 -9.342 530 1HG GLU 70 2HG GLU 70 10.439 0.188 -11.672 531 2HG GLU 70 3HG GLU 70 11.748 1.289 -12.100 532 H LEU 71 H LEU 71 8.747 -0.052 -9.979 533 HA LEU 71 HA LEU 71 7.730 0.040 -7.220 534 1HB LEU 71 2HB LEU 71 6.504 -1.146 -9.705 535 2HB LEU 71 3HB LEU 71 5.797 -1.223 -8.093 536 HG LEU 71 HG LEU 71 6.330 1.354 -9.562 537 1HD1 LEU 71 1HD1 LEU 71 3.830 1.343 -9.883 538 2HD1 LEU 71 2HD1 LEU 71 3.867 -0.370 -9.464 539 3HD1 LEU 71 3HD1 LEU 71 4.738 0.209 -10.884 540 1HD2 LEU 71 1HD2 LEU 71 5.238 0.609 -6.928 541 2HD2 LEU 71 2HD2 LEU 71 4.339 1.842 -7.813 542 3HD2 LEU 71 3HD2 LEU 71 6.048 2.087 -7.448 543 H SER 72 H SER 72 8.896 -1.322 -6.008 544 HA SER 72 HA SER 72 10.059 -3.723 -7.033 545 1HB SER 72 2HB SER 72 9.969 -2.324 -4.416 546 2HB SER 72 3HB SER 72 10.262 -4.063 -4.369 547 HG SER 72 HG SER 72 12.063 -2.309 -4.743 548 H THR 73 H THR 73 7.058 -2.895 -5.527 549 HA THR 73 HA THR 73 6.142 -5.642 -5.851 550 HB THR 73 HB THR 73 5.718 -4.199 -3.231 551 HG1 THR 73 HG1 THR 73 7.674 -6.047 -4.068 552 1HG2 THR 73 1HG2 THR 73 4.173 -5.756 -2.848 553 2HG2 THR 73 2HG2 THR 73 5.381 -7.019 -3.086 554 3HG2 THR 73 3HG2 THR 73 4.443 -6.425 -4.456 555 H GLY 74 H GLY 74 4.070 -5.761 -6.528 556 1HA GLY 74 2HA GLY 74 1.808 -5.061 -6.646 557 2HA GLY 74 3HA GLY 74 2.305 -3.456 -6.129 558 H MET 75 H MET 75 4.133 -5.020 -8.607 559 HA MET 75 HA MET 75 2.754 -3.425 -10.659 560 1HB MET 75 2HB MET 75 4.785 -2.239 -10.040 561 2HB MET 75 3HB MET 75 5.740 -3.696 -10.276 562 1HG MET 75 2HG MET 75 4.349 -3.256 -12.677 563 2HG MET 75 3HG MET 75 4.991 -1.696 -12.170 564 1HE MET 75 1HE MET 75 7.163 -1.125 -13.668 565 2HE MET 75 2HE MET 75 7.303 -1.064 -11.911 566 3HE MET 75 3HE MET 75 8.595 -1.781 -12.875 567 HA PRO 76 HA PRO 76 2.951 -7.782 -12.085 568 1HB PRO 76 2HB PRO 76 0.584 -7.672 -13.409 569 2HB PRO 76 3HB PRO 76 0.701 -8.004 -11.677 570 1HG PRO 76 2HG PRO 76 0.061 -5.435 -13.074 571 2HG PRO 76 3HG PRO 76 -0.700 -6.149 -11.640 572 1HD PRO 76 2HD PRO 76 1.130 -4.160 -11.480 573 2HD PRO 76 3HD PRO 76 0.970 -5.413 -10.232 574 H ARG 77 H ARG 77 4.262 -8.089 -13.766 575 HA ARG 77 HA ARG 77 3.752 -6.572 -16.239 576 1HB ARG 77 2HB ARG 77 6.034 -6.422 -14.660 577 2HB ARG 77 3HB ARG 77 6.492 -7.510 -15.963 578 1HG ARG 77 2HG ARG 77 5.455 -5.673 -17.490 579 2HG ARG 77 3HG ARG 77 5.706 -4.638 -16.083 580 1HD ARG 77 2HD ARG 77 8.104 -5.701 -16.124 581 2HD ARG 77 3HD ARG 77 7.705 -6.020 -17.812 582 HE ARG 77 HE ARG 77 7.106 -3.365 -17.382 583 1HH1 ARG 77 1HH1 ARG 77 9.928 -5.394 -17.176 584 2HH1 ARG 77 2HH1 ARG 77 11.034 -4.117 -17.561 585 1HH2 ARG 77 1HH2 ARG 77 8.553 -1.676 -17.890 586 2HH2 ARG 77 2HH2 ARG 77 10.251 -2.003 -17.966 587 H ARG 78 H ARG 78 5.040 -7.722 -18.121 588 HA ARG 78 HA ARG 78 3.994 -10.431 -18.208 589 1HB ARG 78 2HB ARG 78 4.479 -10.335 -20.595 590 2HB ARG 78 3HB ARG 78 3.581 -8.909 -20.094 591 1HG ARG 78 2HG ARG 78 6.464 -8.533 -19.976 592 2HG ARG 78 3HG ARG 78 5.877 -8.928 -21.593 593 1HD ARG 78 2HD ARG 78 4.847 -6.712 -19.825 594 2HD ARG 78 3HD ARG 78 5.910 -6.513 -21.217 595 HE ARG 78 HE ARG 78 3.081 -6.823 -21.260 596 1HH1 ARG 78 1HH1 ARG 78 5.992 -7.556 -23.023 597 2HH1 ARG 78 2HH1 ARG 78 5.198 -7.628 -24.561 598 1HH2 ARG 78 1HH2 ARG 78 2.024 -6.916 -23.279 599 2HH2 ARG 78 2HH2 ARG 78 2.941 -7.263 -24.706 600 H SER 79 H SER 79 6.888 -8.955 -17.412 601 HA SER 79 HA SER 79 8.760 -10.762 -18.536 602 1HB SER 79 2HB SER 79 9.163 -8.427 -17.485 603 2HB SER 79 3HB SER 79 9.220 -9.293 -15.950 604 HG SER 79 HG SER 79 11.136 -9.984 -16.446 605 H ARG 80 H ARG 80 10.178 -12.186 -17.170 606 HA ARG 80 HA ARG 80 8.508 -14.060 -15.758 607 1HB ARG 80 2HB ARG 80 11.502 -14.129 -16.163 608 2HB ARG 80 3HB ARG 80 10.474 -15.475 -15.689 609 1HG ARG 80 2HG ARG 80 9.371 -15.421 -17.852 610 2HG ARG 80 3HG ARG 80 10.349 -14.032 -18.329 611 1HD ARG 80 2HD ARG 80 12.340 -15.629 -17.718 612 2HD ARG 80 3HD ARG 80 11.136 -16.888 -17.987 613 HE ARG 80 HE ARG 80 11.233 -14.996 -20.126 614 1HH1 ARG 80 1HH1 ARG 80 12.760 -17.828 -18.796 615 2HH1 ARG 80 2HH1 ARG 80 13.390 -18.363 -20.319 616 1HH2 ARG 80 1HH2 ARG 80 12.058 -15.690 -22.137 617 2HH2 ARG 80 2HH2 ARG 80 12.992 -17.146 -22.218 618 H PHE 81 H PHE 81 8.297 -11.890 -14.277 619 HA PHE 81 HA PHE 81 10.270 -11.466 -12.312 620 1HB PHE 81 2HB PHE 81 8.545 -10.261 -11.085 621 2HB PHE 81 3HB PHE 81 8.452 -9.863 -12.798 622 HD1 PHE 81 HD1 PHE 81 6.546 -10.450 -14.107 623 HD2 PHE 81 HD2 PHE 81 6.847 -11.690 -10.046 624 HE1 PHE 81 HE1 PHE 81 4.166 -11.076 -14.125 625 HE2 PHE 81 HE2 PHE 81 4.469 -12.319 -10.058 626 HZ PHE 81 HZ PHE 81 3.125 -12.013 -12.099 627 H ASP 82 H ASP 82 10.690 -12.420 -10.399 628 HA ASP 82 HA ASP 82 9.313 -14.927 -9.833 629 1HB ASP 82 2HB ASP 82 11.941 -14.356 -9.809 630 2HB ASP 82 3HB ASP 82 11.563 -14.023 -8.121 631 H ARG 83 H ARG 83 9.973 -11.801 -8.338 632 HA ARG 83 HA ARG 83 8.766 -12.427 -5.837 633 1HB ARG 83 2HB ARG 83 9.833 -10.007 -7.166 634 2HB ARG 83 3HB ARG 83 8.619 -9.732 -5.924 635 1HG ARG 83 2HG ARG 83 10.713 -11.618 -5.144 636 2HG ARG 83 3HG ARG 83 11.292 -9.986 -5.484 637 1HD ARG 83 2HD ARG 83 8.907 -10.459 -3.729 638 2HD ARG 83 3HD ARG 83 10.546 -10.552 -3.086 639 HE ARG 83 HE ARG 83 9.106 -8.181 -3.818 640 1HH1 ARG 83 1HH1 ARG 83 12.265 -9.590 -3.425 641 2HH1 ARG 83 2HH1 ARG 83 13.054 -8.070 -3.164 642 1HH2 ARG 83 1HH2 ARG 83 10.133 -6.173 -3.475 643 2HH2 ARG 83 2HH2 ARG 83 11.841 -6.127 -3.192 644 HA PRO 84 HA PRO 84 4.539 -12.183 -7.171 645 1HB PRO 84 2HB PRO 84 3.429 -12.369 -4.701 646 2HB PRO 84 3HB PRO 84 4.107 -13.759 -5.556 647 1HG PRO 84 2HG PRO 84 5.332 -12.077 -3.403 648 2HG PRO 84 3HG PRO 84 5.356 -13.840 -3.595 649 1HD PRO 84 2HD PRO 84 7.450 -12.270 -4.288 650 2HD PRO 84 3HD PRO 84 7.058 -13.773 -5.148 651 HA PRO 85 HA PRO 85 4.199 -7.731 -6.501 652 1HB PRO 85 2HB PRO 85 2.369 -7.349 -8.470 653 2HB PRO 85 3HB PRO 85 4.101 -7.510 -8.786 654 1HG PRO 85 2HG PRO 85 1.934 -9.562 -9.024 655 2HG PRO 85 3HG PRO 85 3.284 -9.227 -10.124 656 1HD PRO 85 2HD PRO 85 3.319 -11.278 -8.356 657 2HD PRO 85 3HD PRO 85 4.789 -10.408 -8.838 658 H ALA 86 H ALA 86 2.719 -6.490 -5.423 659 HA ALA 86 HA ALA 86 0.623 -7.818 -4.032 660 1HB ALA 86 1HB ALA 86 0.087 -5.450 -3.255 661 2HB ALA 86 2HB ALA 86 1.682 -6.088 -2.855 662 3HB ALA 86 3HB ALA 86 1.496 -4.950 -4.189 663 H ARG 87 H ARG 87 -0.693 -8.621 -5.757 664 HA ARG 87 HA ARG 87 -2.641 -6.639 -6.666 665 1HB ARG 87 2HB ARG 87 -1.453 -8.694 -8.535 666 2HB ARG 87 3HB ARG 87 -2.634 -7.455 -8.937 667 1HG ARG 87 2HG ARG 87 0.142 -6.833 -7.966 668 2HG ARG 87 3HG ARG 87 -0.283 -6.994 -9.671 669 1HD ARG 87 2HD ARG 87 -1.697 -5.102 -7.809 670 2HD ARG 87 3HD ARG 87 -0.264 -4.642 -8.727 671 HE ARG 87 HE ARG 87 -2.269 -5.761 -10.408 672 1HH1 ARG 87 1HH1 ARG 87 -1.359 -2.863 -8.707 673 2HH1 ARG 87 2HH1 ARG 87 -2.212 -1.807 -9.784 674 1HH2 ARG 87 1HH2 ARG 87 -3.395 -4.381 -11.833 675 2HH2 ARG 87 2HH2 ARG 87 -3.370 -2.672 -11.561 676 H ARG 88 H ARG 88 -2.698 -8.667 -4.607 677 HA ARG 88 HA ARG 88 -3.921 -11.046 -5.292 678 1HB ARG 88 2HB ARG 88 -3.883 -9.323 -2.882 679 2HB ARG 88 3HB ARG 88 -5.181 -10.507 -2.969 680 1HG ARG 88 2HG ARG 88 -3.526 -12.288 -3.270 681 2HG ARG 88 3HG ARG 88 -2.233 -11.092 -3.148 682 1HD ARG 88 2HD ARG 88 -2.290 -11.207 -0.932 683 2HD ARG 88 3HD ARG 88 -4.004 -10.794 -0.927 684 HE ARG 88 HE ARG 88 -4.485 -12.992 -0.536 685 1HH1 ARG 88 1HH1 ARG 88 -1.231 -12.752 -1.747 686 2HH1 ARG 88 2HH1 ARG 88 -0.872 -14.427 -1.490 687 1HH2 ARG 88 1HH2 ARG 88 -4.026 -15.199 -0.192 688 2HH2 ARG 88 2HH2 ARG 88 -2.463 -15.819 -0.606 689 H LYS 89 H LYS 89 -5.738 -11.493 -6.330 690 HA LYS 89 HA LYS 89 -8.096 -9.817 -5.915 691 1HB LYS 89 2HB LYS 89 -6.578 -9.406 -8.134 692 2HB LYS 89 3HB LYS 89 -7.685 -10.641 -8.719 693 1HG LYS 89 2HG LYS 89 -9.478 -9.265 -8.652 694 2HG LYS 89 3HG LYS 89 -8.882 -8.373 -7.250 695 1HD LYS 89 2HD LYS 89 -7.215 -7.271 -8.704 696 2HD LYS 89 3HD LYS 89 -7.903 -8.115 -10.094 697 1HE LYS 89 2HE LYS 89 -9.008 -6.110 -10.228 698 2HE LYS 89 3HE LYS 89 -10.138 -7.037 -9.241 699 1HZ LYS 89 1HZ LYS 89 -9.915 -5.563 -7.624 700 2HZ LYS 89 2HZ LYS 89 -8.899 -4.631 -8.604 701 3HZ LYS 89 3HZ LYS 89 -8.240 -5.798 -7.572 702 H LEU 90 H LEU 90 -9.985 -10.884 -7.291 703 HA LEU 90 HA LEU 90 -10.538 -13.354 -6.139 704 1HB LEU 90 2HB LEU 90 -11.691 -11.894 -8.487 705 2HB LEU 90 3HB LEU 90 -12.279 -13.493 -8.038 706 HG LEU 90 HG LEU 90 -12.214 -11.441 -5.902 707 1HD1 LEU 90 1HD1 LEU 90 -14.117 -10.277 -6.613 708 2HD1 LEU 90 2HD1 LEU 90 -14.441 -11.423 -7.913 709 3HD1 LEU 90 3HD1 LEU 90 -13.067 -10.324 -8.029 710 1HD2 LEU 90 1HD2 LEU 90 -13.152 -13.976 -6.093 711 2HD2 LEU 90 2HD2 LEU 90 -14.608 -13.050 -6.461 712 3HD2 LEU 90 3HD2 LEU 90 -13.747 -12.776 -4.945 713 H LEU 91 H LEU 91 -10.307 -12.964 -9.663 714 HA LEU 91 HA LEU 91 -9.200 -14.182 -11.252 715 1HB LEU 91 2HB LEU 91 -7.545 -14.422 -9.097 716 2HB LEU 91 3HB LEU 91 -7.944 -16.106 -9.432 717 HG LEU 91 HG LEU 91 -5.850 -15.411 -10.504 718 1HD1 LEU 91 1HD1 LEU 91 -6.236 -16.494 -12.514 719 2HD1 LEU 91 2HD1 LEU 91 -7.849 -15.806 -12.694 720 3HD1 LEU 91 3HD1 LEU 91 -7.560 -17.073 -11.502 721 1HD2 LEU 91 1HD2 LEU 91 -7.251 -13.062 -11.057 722 2HD2 LEU 91 2HD2 LEU 91 -7.003 -13.834 -12.623 723 3HD2 LEU 91 3HD2 LEU 91 -5.621 -13.483 -11.584 724 H GLU 92 H GLU 92 -11.348 -15.322 -8.993 725 HA GLU 92 HA GLU 92 -11.602 -17.974 -10.203 726 1HB GLU 92 2HB GLU 92 -13.242 -18.394 -8.393 727 2HB GLU 92 3HB GLU 92 -11.656 -17.936 -7.787 728 1HG GLU 92 2HG GLU 92 -12.465 -15.648 -7.433 729 2HG GLU 92 3HG GLU 92 -14.060 -16.138 -8.002 730 H VAL 93 H VAL 93 -13.394 -14.968 -9.748 731 HA VAL 93 HA VAL 93 -15.604 -15.979 -11.369 732 HB VAL 93 HB VAL 93 -15.359 -13.257 -10.090 733 1HG1 VAL 93 1HG1 VAL 93 -17.067 -13.109 -11.645 734 2HG1 VAL 93 2HG1 VAL 93 -17.565 -14.785 -11.410 735 3HG1 VAL 93 3HG1 VAL 93 -17.933 -13.574 -10.181 736 1HG2 VAL 93 1HG2 VAL 93 -16.162 -15.888 -8.956 737 2HG2 VAL 93 2HG2 VAL 93 -15.302 -14.546 -8.199 738 3HG2 VAL 93 3HG2 VAL 93 -17.046 -14.448 -8.448 739 H LEU 94 H LEU 94 -16.326 -14.920 -13.258 740 HA LEU 94 HA LEU 94 -14.957 -12.729 -14.429 741 1HB LEU 94 2HB LEU 94 -13.725 -13.757 -16.140 742 2HB LEU 94 3HB LEU 94 -13.295 -14.620 -14.664 743 HG LEU 94 HG LEU 94 -15.354 -16.136 -15.669 744 1HD1 LEU 94 1HD1 LEU 94 -13.857 -14.851 -17.913 745 2HD1 LEU 94 2HD1 LEU 94 -15.579 -15.204 -17.769 746 3HD1 LEU 94 3HD1 LEU 94 -14.433 -16.511 -18.066 747 1HD2 LEU 94 1HD2 LEU 94 -12.468 -16.587 -16.376 748 2HD2 LEU 94 2HD2 LEU 94 -13.713 -17.783 -16.013 749 3HD2 LEU 94 3HD2 LEU 94 -13.073 -16.757 -14.728 750 H PHE 95 H PHE 95 -15.801 -12.167 -16.537 751 HA PHE 95 HA PHE 95 -17.960 -13.688 -17.663 752 1HB PHE 95 2HB PHE 95 -18.582 -11.816 -15.623 753 2HB PHE 95 3HB PHE 95 -19.127 -11.126 -17.148 754 HD1 PHE 95 HD1 PHE 95 -20.069 -13.114 -14.469 755 HD2 PHE 95 HD2 PHE 95 -20.380 -12.902 -18.708 756 HE1 PHE 95 HE1 PHE 95 -22.073 -14.540 -14.390 757 HE2 PHE 95 HE2 PHE 95 -22.385 -14.326 -18.636 758 HZ PHE 95 HZ PHE 95 -23.234 -15.147 -16.475 759 H ASN 96 H ASN 96 -17.236 -13.546 -19.699 760 HA ASN 96 HA ASN 96 -17.471 -11.105 -21.127 761 1HB ASN 96 2HB ASN 96 -15.175 -10.730 -21.756 762 2HB ASN 96 3HB ASN 96 -15.265 -10.751 -19.997 763 1HD2 ASN 96 1HD2 ASN 96 -14.791 -12.878 -18.973 764 2HD2 ASN 96 2HD2 ASN 96 -13.518 -13.824 -19.660 765 H GLY 97 H GLY 97 -18.478 -13.768 -21.308 766 1HA GLY 97 2HA GLY 97 -19.051 -15.178 -23.043 767 2HA GLY 97 3HA GLY 97 -18.000 -14.239 -24.093 768 HA PRO 98 HA PRO 98 -15.200 -17.542 -21.916 769 1HB PRO 98 2HB PRO 98 -16.501 -19.519 -20.584 770 2HB PRO 98 3HB PRO 98 -15.981 -18.019 -19.808 771 1HG PRO 98 2HG PRO 98 -18.687 -18.777 -20.838 772 2HG PRO 98 3HG PRO 98 -18.255 -17.955 -19.328 773 1HD PRO 98 2HD PRO 98 -19.173 -16.624 -21.500 774 2HD PRO 98 3HD PRO 98 -18.011 -15.910 -20.364 775 H LEU 99 H LEU 99 -18.354 -18.523 -23.153 776 HA LEU 99 HA LEU 99 -17.129 -20.782 -24.559 777 1HB LEU 99 2HB LEU 99 -19.748 -20.215 -23.468 778 2HB LEU 99 3HB LEU 99 -19.848 -20.736 -25.148 779 HG LEU 99 HG LEU 99 -18.189 -22.371 -23.309 780 1HD1 LEU 99 1HD1 LEU 99 -21.063 -23.027 -23.332 781 2HD1 LEU 99 2HD1 LEU 99 -20.586 -21.654 -22.334 782 3HD1 LEU 99 3HD1 LEU 99 -19.857 -23.237 -22.063 783 1HD2 LEU 99 1HD2 LEU 99 -20.085 -23.766 -24.943 784 2HD2 LEU 99 2HD2 LEU 99 -18.322 -23.789 -25.010 785 3HD2 LEU 99 3HD2 LEU 99 -19.224 -22.570 -25.913 786 H GLU 100 H GLU 100 -16.592 -20.619 -26.629 787 HA GLU 100 HA GLU 100 -17.462 -18.286 -28.144 788 1HB GLU 100 2HB GLU 100 -15.694 -18.782 -29.668 789 2HB GLU 100 3HB GLU 100 -15.050 -18.986 -28.045 790 1HG GLU 100 2HG GLU 100 -14.310 -20.963 -28.710 791 2HG GLU 100 3HG GLU 100 -15.989 -21.499 -28.699 792 H HIS 101 H HIS 101 -18.859 -21.079 -27.558 793 HA HIS 101 HA HIS 101 -20.448 -22.339 -28.591 794 1HB HIS 101 2HB HIS 101 -20.557 -19.781 -29.866 795 2HB HIS 101 3HB HIS 101 -20.821 -21.026 -31.083 796 HD1 HIS 101 HD1 HIS 101 -23.003 -22.354 -30.962 797 HD2 HIS 101 HD2 HIS 101 -22.546 -19.622 -27.866 798 HE1 HIS 101 HE1 HIS 101 -25.249 -22.229 -29.838 Start of MODEL 13 1 1H MET 1 H MET 1 0.662 0.255 0.676 2 HA MET 1 HA MET 1 1.709 -2.057 -0.810 3 1HB MET 1 2HB MET 1 0.134 -0.532 -2.003 4 2HB MET 1 3HB MET 1 1.300 0.769 -1.800 5 1HG MET 1 2HG MET 1 1.619 -0.026 -3.977 6 2HG MET 1 3HG MET 1 2.948 -0.695 -3.033 7 1HE MET 1 1HE MET 1 1.890 -2.731 -6.027 8 2HE MET 1 2HE MET 1 0.178 -2.413 -5.752 9 3HE MET 1 3HE MET 1 1.338 -1.085 -5.714 10 H LYS 2 H LYS 2 3.847 -2.098 -1.508 11 HA LYS 2 HA LYS 2 5.644 -0.353 0.017 12 1HB LYS 2 2HB LYS 2 6.111 -3.005 -1.354 13 2HB LYS 2 3HB LYS 2 7.380 -2.064 -0.581 14 1HG LYS 2 2HG LYS 2 5.730 -2.183 1.476 15 2HG LYS 2 3HG LYS 2 5.167 -3.626 0.630 16 1HD LYS 2 2HD LYS 2 6.822 -4.604 1.829 17 2HD LYS 2 3HD LYS 2 7.813 -4.035 0.483 18 1HE LYS 2 2HE LYS 2 7.385 -2.104 2.669 19 2HE LYS 2 3HE LYS 2 8.347 -3.523 3.081 20 1HZ LYS 2 1HZ LYS 2 9.055 -1.255 1.503 21 2HZ LYS 2 2HZ LYS 2 9.326 -2.698 0.664 22 3HZ LYS 2 3HZ LYS 2 10.048 -2.450 2.173 23 H VAL 3 H VAL 3 7.115 0.964 -0.939 24 HA VAL 3 HA VAL 3 7.372 0.873 -3.863 25 HB VAL 3 HB VAL 3 7.238 3.539 -2.523 26 1HG1 VAL 3 1HG1 VAL 3 6.280 4.127 -4.777 27 2HG1 VAL 3 2HG1 VAL 3 7.951 3.561 -4.787 28 3HG1 VAL 3 3HG1 VAL 3 6.649 2.477 -5.278 29 1HG2 VAL 3 1HG2 VAL 3 5.224 2.460 -1.736 30 2HG2 VAL 3 2HG2 VAL 3 4.810 3.636 -2.983 31 3HG2 VAL 3 3HG2 VAL 3 4.840 1.915 -3.368 32 H TYR 4 H TYR 4 9.335 1.611 -4.687 33 HA TYR 4 HA TYR 4 11.386 2.390 -2.738 34 1HB TYR 4 2HB TYR 4 12.346 0.373 -2.915 35 2HB TYR 4 3HB TYR 4 11.258 -0.102 -4.213 36 HD1 TYR 4 HD1 TYR 4 12.038 -0.276 -6.417 37 HD2 TYR 4 HD2 TYR 4 14.394 1.768 -3.524 38 HE1 TYR 4 HE1 TYR 4 13.896 -0.156 -8.024 39 HE2 TYR 4 HE2 TYR 4 16.258 1.895 -5.123 40 HH TYR 4 HH TYR 4 16.008 0.446 -8.356 41 H VAL 5 H VAL 5 12.292 4.224 -3.359 42 HA VAL 5 HA VAL 5 12.418 4.834 -6.241 43 HB VAL 5 HB VAL 5 12.559 7.246 -5.491 44 1HG1 VAL 5 1HG1 VAL 5 10.475 7.119 -6.260 45 2HG1 VAL 5 2HG1 VAL 5 10.270 5.484 -5.627 46 3HG1 VAL 5 3HG1 VAL 5 9.955 6.878 -4.593 47 1HG2 VAL 5 1HG2 VAL 5 11.159 6.756 -3.001 48 2HG2 VAL 5 2HG2 VAL 5 12.799 6.107 -2.975 49 3HG2 VAL 5 3HG2 VAL 5 12.532 7.813 -3.334 50 H GLY 6 H GLY 6 14.429 4.259 -6.858 51 1HA GLY 6 2HA GLY 6 16.689 5.148 -5.183 52 2HA GLY 6 3HA GLY 6 16.750 3.814 -6.325 53 H ASN 7 H ASN 7 18.751 5.177 -6.851 54 HA ASN 7 HA ASN 7 19.871 6.453 -8.363 55 1HB ASN 7 2HB ASN 7 17.219 6.151 -9.760 56 2HB ASN 7 3HB ASN 7 18.539 7.072 -10.476 57 1HD2 ASN 7 1HD2 ASN 7 18.385 4.025 -8.665 58 2HD2 ASN 7 2HD2 ASN 7 19.205 3.079 -9.856 59 H LEU 8 H LEU 8 19.725 8.018 -6.497 60 HA LEU 8 HA LEU 8 18.523 10.515 -7.467 61 1HB LEU 8 2HB LEU 8 18.497 9.613 -4.592 62 2HB LEU 8 3HB LEU 8 17.844 11.123 -5.223 63 HG LEU 8 HG LEU 8 16.445 9.283 -6.665 64 1HD1 LEU 8 1HD1 LEU 8 15.889 7.418 -5.440 65 2HD1 LEU 8 2HD1 LEU 8 16.396 8.135 -3.912 66 3HD1 LEU 8 3HD1 LEU 8 17.606 7.580 -5.069 67 1HD2 LEU 8 1HD2 LEU 8 14.595 9.782 -5.117 68 2HD2 LEU 8 2HD2 LEU 8 15.508 11.224 -5.564 69 3HD2 LEU 8 3HD2 LEU 8 15.753 10.479 -3.983 70 H GLY 9 H GLY 9 20.081 11.956 -7.770 71 1HA GLY 9 2HA GLY 9 21.895 12.775 -5.804 72 2HA GLY 9 3HA GLY 9 22.726 11.633 -6.850 73 H THR 10 H THR 10 20.567 14.455 -7.166 74 HA THR 10 HA THR 10 22.430 16.027 -8.565 75 HB THR 10 HB THR 10 22.106 14.379 -10.363 76 HG1 THR 10 HG1 THR 10 21.633 15.927 -11.967 77 1HG2 THR 10 1HG2 THR 10 19.398 15.224 -11.051 78 2HG2 THR 10 2HG2 THR 10 19.481 14.322 -9.537 79 3HG2 THR 10 3HG2 THR 10 20.107 13.609 -11.024 80 H GLY 11 H GLY 11 20.626 16.443 -6.476 81 1HA GLY 11 2HA GLY 11 19.411 18.346 -5.862 82 2HA GLY 11 3HA GLY 11 19.138 18.693 -7.563 83 H ALA 12 H ALA 12 18.478 15.473 -6.833 84 HA ALA 12 HA ALA 12 15.627 16.051 -6.383 85 1HB ALA 12 1HB ALA 12 16.862 14.269 -8.452 86 2HB ALA 12 2HB ALA 12 15.220 13.991 -7.868 87 3HB ALA 12 3HB ALA 12 15.632 15.517 -8.650 88 H GLY 13 H GLY 13 15.331 15.366 -4.343 89 1HA GLY 13 2HA GLY 13 15.878 12.544 -3.784 90 2HA GLY 13 3HA GLY 13 16.567 13.739 -2.695 91 H LYS 14 H LYS 14 15.441 13.907 -0.887 92 HA LYS 14 HA LYS 14 12.947 12.858 -0.377 93 1HB LYS 14 2HB LYS 14 14.726 13.836 1.237 94 2HB LYS 14 3HB LYS 14 13.877 15.359 1.005 95 1HG LYS 14 2HG LYS 14 12.108 13.133 1.651 96 2HG LYS 14 3HG LYS 14 13.300 13.481 2.905 97 1HD LYS 14 2HD LYS 14 12.330 15.436 3.451 98 2HD LYS 14 3HD LYS 14 12.006 15.855 1.767 99 1HE LYS 14 2HE LYS 14 9.950 15.543 3.107 100 2HE LYS 14 3HE LYS 14 10.060 14.437 1.739 101 1HZ LYS 14 1HZ LYS 14 10.682 13.784 4.569 102 2HZ LYS 14 2HZ LYS 14 10.852 12.719 3.266 103 3HZ LYS 14 3HZ LYS 14 9.318 13.278 3.705 104 H GLY 15 H GLY 15 13.691 16.282 -1.064 105 1HA GLY 15 2HA GLY 15 11.029 17.174 -1.099 106 2HA GLY 15 3HA GLY 15 12.379 17.975 -1.888 107 H GLU 16 H GLU 16 13.083 15.943 -3.707 108 HA GLU 16 HA GLU 16 11.332 16.513 -5.829 109 1HB GLU 16 2HB GLU 16 13.850 15.519 -5.655 110 2HB GLU 16 3HB GLU 16 12.959 14.059 -6.060 111 1HG GLU 16 2HG GLU 16 13.401 14.765 -8.155 112 2HG GLU 16 3HG GLU 16 11.913 15.673 -7.891 113 H LEU 17 H LEU 17 11.884 13.407 -4.160 114 HA LEU 17 HA LEU 17 9.746 12.059 -5.404 115 1HB LEU 17 2HB LEU 17 10.325 10.274 -4.127 116 2HB LEU 17 3HB LEU 17 11.801 11.224 -3.973 117 HG LEU 17 HG LEU 17 10.561 12.136 -1.819 118 1HD1 LEU 17 1HD1 LEU 17 8.789 10.139 -2.683 119 2HD1 LEU 17 2HD1 LEU 17 8.762 11.023 -1.157 120 3HD1 LEU 17 3HD1 LEU 17 9.620 9.486 -1.271 121 1HD2 LEU 17 1HD2 LEU 17 12.019 9.511 -2.073 122 2HD2 LEU 17 2HD2 LEU 17 11.683 10.309 -0.536 123 3HD2 LEU 17 3HD2 LEU 17 12.710 11.098 -1.734 124 H GLU 18 H GLU 18 9.913 14.149 -2.627 125 HA GLU 18 HA GLU 18 7.478 13.412 -1.402 126 1HB GLU 18 2HB GLU 18 9.095 14.697 -0.166 127 2HB GLU 18 3HB GLU 18 9.038 15.997 -1.348 128 1HG GLU 18 2HG GLU 18 7.820 16.571 0.678 129 2HG GLU 18 3HG GLU 18 6.751 16.502 -0.722 130 H ARG 19 H ARG 19 8.246 16.139 -3.568 131 HA ARG 19 HA ARG 19 5.594 17.054 -3.814 132 1HB ARG 19 2HB ARG 19 7.569 18.420 -4.376 133 2HB ARG 19 3HB ARG 19 7.891 17.375 -5.754 134 1HG ARG 19 2HG ARG 19 5.630 18.015 -6.638 135 2HG ARG 19 3HG ARG 19 5.556 19.223 -5.354 136 1HD ARG 19 2HD ARG 19 7.567 19.044 -7.590 137 2HD ARG 19 3HD ARG 19 6.341 20.289 -7.350 138 HE ARG 19 HE ARG 19 8.052 20.176 -5.109 139 1HH1 ARG 19 1HH1 ARG 19 7.992 21.190 -8.439 140 2HH1 ARG 19 2HH1 ARG 19 9.187 22.426 -8.220 141 1HH2 ARG 19 1HH2 ARG 19 9.626 21.799 -4.808 142 2HH2 ARG 19 2HH2 ARG 19 10.116 22.771 -6.155 143 H ALA 20 H ALA 20 7.500 14.768 -5.712 144 HA ALA 20 HA ALA 20 5.672 14.424 -7.824 145 1HB ALA 20 1HB ALA 20 7.125 12.004 -7.267 146 2HB ALA 20 2HB ALA 20 7.285 13.122 -8.622 147 3HB ALA 20 3HB ALA 20 8.181 13.411 -7.131 148 H PHE 21 H PHE 21 6.348 12.106 -5.195 149 HA PHE 21 HA PHE 21 4.193 10.440 -5.592 150 1HB PHE 21 2HB PHE 21 5.837 11.138 -3.196 151 2HB PHE 21 3HB PHE 21 4.398 10.147 -2.973 152 HD1 PHE 21 HD1 PHE 21 7.477 10.346 -5.058 153 HD2 PHE 21 HD2 PHE 21 4.558 7.860 -3.210 154 HE1 PHE 21 HE1 PHE 21 8.754 8.352 -5.730 155 HE2 PHE 21 HE2 PHE 21 5.831 5.863 -3.877 156 HZ PHE 21 HZ PHE 21 7.932 6.108 -5.138 157 H SER 22 H SER 22 4.348 13.317 -3.516 158 HA SER 22 HA SER 22 1.750 13.169 -2.490 159 1HB SER 22 2HB SER 22 3.596 14.674 -1.669 160 2HB SER 22 3HB SER 22 3.279 15.717 -3.055 161 HG SER 22 HG SER 22 1.587 16.477 -2.071 162 H TYR 23 H TYR 23 2.996 14.715 -5.417 163 HA TYR 23 HA TYR 23 0.659 16.031 -6.205 164 1HB TYR 23 2HB TYR 23 3.174 15.197 -7.495 165 2HB TYR 23 3HB TYR 23 1.812 15.395 -8.591 166 HD1 TYR 23 HD1 TYR 23 2.319 17.358 -9.754 167 HD2 TYR 23 HD2 TYR 23 2.608 17.323 -5.509 168 HE1 TYR 23 HE1 TYR 23 2.679 19.791 -9.764 169 HE2 TYR 23 HE2 TYR 23 2.967 19.756 -5.508 170 HH TYR 23 HH TYR 23 3.765 21.497 -8.239 171 H TYR 24 H TYR 24 1.799 12.749 -6.888 172 HA TYR 24 HA TYR 24 -0.388 12.074 -8.585 173 1HB TYR 24 2HB TYR 24 1.819 10.555 -7.255 174 2HB TYR 24 3HB TYR 24 0.460 9.666 -7.935 175 HD1 TYR 24 HD1 TYR 24 0.465 9.104 -10.192 176 HD2 TYR 24 HD2 TYR 24 3.006 12.236 -8.836 177 HE1 TYR 24 HE1 TYR 24 1.496 9.225 -12.422 178 HE2 TYR 24 HE2 TYR 24 4.043 12.366 -11.062 179 HH TYR 24 HH TYR 24 2.725 10.873 -13.794 180 H GLY 25 H GLY 25 0.267 11.743 -5.144 181 1HA GLY 25 2HA GLY 25 -2.349 11.772 -4.296 182 2HA GLY 25 3HA GLY 25 -1.992 10.078 -4.596 183 HA PRO 26 HA PRO 26 -0.426 11.658 -0.361 184 1HB PRO 26 2HB PRO 26 -2.454 10.778 1.216 185 2HB PRO 26 3HB PRO 26 -2.417 12.400 0.513 186 1HG PRO 26 2HG PRO 26 -3.885 9.963 -0.420 187 2HG PRO 26 3HG PRO 26 -4.450 11.641 -0.323 188 1HD PRO 26 2HD PRO 26 -3.631 10.512 -2.644 189 2HD PRO 26 3HD PRO 26 -3.410 12.238 -2.291 190 H LEU 27 H LEU 27 1.137 10.182 -0.046 191 HA LEU 27 HA LEU 27 0.539 7.344 -0.078 192 1HB LEU 27 2HB LEU 27 3.062 7.240 0.461 193 2HB LEU 27 3HB LEU 27 2.542 7.754 -1.143 194 HG LEU 27 HG LEU 27 2.969 10.074 -0.566 195 1HD1 LEU 27 1HD1 LEU 27 2.421 10.055 1.778 196 2HD1 LEU 27 2HD1 LEU 27 4.078 10.625 1.574 197 3HD1 LEU 27 3HD1 LEU 27 3.774 8.977 2.124 198 1HD2 LEU 27 1HD2 LEU 27 5.257 9.989 -0.780 199 2HD2 LEU 27 2HD2 LEU 27 4.805 8.360 -1.285 200 3HD2 LEU 27 3HD2 LEU 27 5.422 8.640 0.344 201 H ARG 28 H ARG 28 1.987 6.127 1.715 202 HA ARG 28 HA ARG 28 0.707 6.798 4.214 203 1HB ARG 28 2HB ARG 28 1.713 4.444 3.005 204 2HB ARG 28 3HB ARG 28 2.628 4.686 4.487 205 1HG ARG 28 2HG ARG 28 -0.221 5.097 4.865 206 2HG ARG 28 3HG ARG 28 0.163 3.482 4.266 207 1HD ARG 28 2HD ARG 28 1.040 2.862 6.223 208 2HD ARG 28 3HD ARG 28 1.978 4.348 6.360 209 HE ARG 28 HE ARG 28 0.364 5.191 7.741 210 1HH1 ARG 28 1HH1 ARG 28 -0.935 2.460 6.017 211 2HH1 ARG 28 2HH1 ARG 28 -2.413 2.427 6.920 212 1HH2 ARG 28 1HH2 ARG 28 -1.578 5.158 8.937 213 2HH2 ARG 28 2HH2 ARG 28 -2.779 3.963 8.580 214 H THR 29 H THR 29 4.061 6.423 3.083 215 HA THR 29 HA THR 29 4.965 8.565 4.754 216 HB THR 29 HB THR 29 6.743 6.771 5.738 217 HG1 THR 29 HG1 THR 29 5.420 4.993 6.505 218 1HG2 THR 29 1HG2 THR 29 4.577 8.341 6.721 219 2HG2 THR 29 2HG2 THR 29 6.021 7.800 7.577 220 3HG2 THR 29 3HG2 THR 29 4.573 6.794 7.566 221 H VAL 30 H VAL 30 7.357 8.869 4.572 222 HA VAL 30 HA VAL 30 8.412 7.706 2.079 223 HB VAL 30 HB VAL 30 8.626 10.593 2.947 224 1HG1 VAL 30 1HG1 VAL 30 9.903 9.099 0.667 225 2HG1 VAL 30 2HG1 VAL 30 9.773 10.858 0.721 226 3HG1 VAL 30 3HG1 VAL 30 10.700 10.003 1.954 227 1HG2 VAL 30 1HG2 VAL 30 6.455 9.834 1.930 228 2HG2 VAL 30 2HG2 VAL 30 7.283 11.123 1.057 229 3HG2 VAL 30 3HG2 VAL 30 7.356 9.466 0.459 230 H TRP 31 H TRP 31 10.620 7.336 1.996 231 HA TRP 31 HA TRP 31 12.261 8.052 4.292 232 1HB TRP 31 2HB TRP 31 11.049 5.696 4.499 233 2HB TRP 31 3HB TRP 31 12.380 5.188 3.464 234 HD1 TRP 31 HD1 TRP 31 11.675 6.540 6.983 235 HE1 TRP 31 HE1 TRP 31 13.731 6.082 8.462 236 HE3 TRP 31 HE3 TRP 31 14.882 4.807 3.399 237 HZ2 TRP 31 HZ2 TRP 31 16.364 5.115 8.150 238 HZ3 TRP 31 HZ3 TRP 31 17.152 4.137 4.072 239 HH2 TRP 31 HH2 TRP 31 17.876 4.289 6.399 240 H ILE 32 H ILE 32 14.505 7.927 3.896 241 HA ILE 32 HA ILE 32 15.320 7.266 1.159 242 HB ILE 32 HB ILE 32 15.862 9.888 2.546 243 1HG1 ILE 32 2HG1 ILE 32 15.085 10.124 -0.188 244 2HG1 ILE 32 3HG1 ILE 32 13.960 9.027 0.604 245 1HG2 ILE 32 1HG2 ILE 32 17.297 8.531 0.310 246 2HG2 ILE 32 2HG2 ILE 32 17.150 10.288 0.309 247 3HG2 ILE 32 3HG2 ILE 32 17.943 9.470 1.655 248 1HD1 ILE 32 1HD1 ILE 32 14.603 11.857 1.377 249 2HD1 ILE 32 2HD1 ILE 32 13.077 11.224 0.757 250 3HD1 ILE 32 3HD1 ILE 32 13.636 10.762 2.365 251 H ALA 33 H ALA 33 17.382 6.482 0.957 252 HA ALA 33 HA ALA 33 18.808 5.991 3.482 253 1HB ALA 33 1HB ALA 33 19.566 3.984 2.641 254 2HB ALA 33 2HB ALA 33 17.967 4.097 1.905 255 3HB ALA 33 3HB ALA 33 19.402 4.502 0.963 256 H ARG 34 H ARG 34 20.284 7.554 3.773 257 HA ARG 34 HA ARG 34 21.644 8.838 1.608 258 1HB ARG 34 2HB ARG 34 21.245 9.325 4.365 259 2HB ARG 34 3HB ARG 34 22.983 9.224 4.117 260 1HG ARG 34 2HG ARG 34 22.916 10.968 2.479 261 2HG ARG 34 3HG ARG 34 21.151 10.985 2.506 262 1HD ARG 34 2HD ARG 34 21.254 11.643 4.901 263 2HD ARG 34 3HD ARG 34 23.007 11.755 4.754 264 HE ARG 34 HE ARG 34 22.107 13.373 2.777 265 1HH1 ARG 34 1HH1 ARG 34 21.454 13.156 6.190 266 2HH1 ARG 34 2HH1 ARG 34 21.133 14.849 6.368 267 1HH2 ARG 34 1HH2 ARG 34 21.687 15.604 3.000 268 2HH2 ARG 34 2HH2 ARG 34 21.265 16.240 4.553 269 H ASN 35 H ASN 35 22.235 6.067 3.580 270 HA ASN 35 HA ASN 35 24.969 5.822 3.597 271 1HB ASN 35 2HB ASN 35 22.705 4.032 3.829 272 2HB ASN 35 3HB ASN 35 24.042 3.246 2.994 273 1HD2 ASN 35 1HD2 ASN 35 25.497 2.303 4.221 274 2HD2 ASN 35 2HD2 ASN 35 25.807 2.652 5.884 275 HA PRO 36 HA PRO 36 24.920 3.752 -0.762 276 1HB PRO 36 2HB PRO 36 22.594 3.821 -2.160 277 2HB PRO 36 3HB PRO 36 23.009 2.510 -1.050 278 1HG PRO 36 2HG PRO 36 21.242 4.884 -0.601 279 2HG PRO 36 3HG PRO 36 20.985 3.193 -0.131 280 1HD PRO 36 2HD PRO 36 21.853 5.074 1.613 281 2HD PRO 36 3HD PRO 36 22.342 3.371 1.723 282 HA PRO 37 HA PRO 37 25.500 7.398 -3.150 283 1HB PRO 37 2HB PRO 37 25.399 6.479 -5.702 284 2HB PRO 37 3HB PRO 37 26.751 6.144 -4.613 285 1HG PRO 37 2HG PRO 37 24.417 4.409 -5.326 286 2HG PRO 37 3HG PRO 37 26.128 3.973 -5.167 287 1HD PRO 37 2HD PRO 37 24.312 3.476 -3.221 288 2HD PRO 37 3HD PRO 37 26.012 3.845 -2.868 289 H GLY 38 H GLY 38 22.601 5.568 -3.571 290 1HA GLY 38 2HA GLY 38 20.923 7.769 -3.810 291 2HA GLY 38 3HA GLY 38 21.293 7.248 -5.447 292 H PHE 39 H PHE 39 19.945 6.187 -2.359 293 HA PHE 39 HA PHE 39 18.048 4.520 -3.812 294 1HB PHE 39 2HB PHE 39 20.278 3.463 -2.302 295 2HB PHE 39 3HB PHE 39 18.748 2.940 -1.605 296 HD1 PHE 39 HD1 PHE 39 20.574 3.136 -4.837 297 HD2 PHE 39 HD2 PHE 39 17.612 1.142 -2.520 298 HE1 PHE 39 HE1 PHE 39 20.378 1.409 -6.579 299 HE2 PHE 39 HE2 PHE 39 17.412 -0.588 -4.257 300 HZ PHE 39 HZ PHE 39 18.796 -0.456 -6.290 301 H ALA 40 H ALA 40 16.088 4.965 -3.077 302 HA ALA 40 HA ALA 40 15.748 5.592 -0.223 303 1HB ALA 40 1HB ALA 40 15.214 7.312 -2.501 304 2HB ALA 40 2HB ALA 40 13.796 7.088 -1.475 305 3HB ALA 40 3HB ALA 40 15.297 7.702 -0.782 306 H PHE 41 H PHE 41 13.526 5.300 0.551 307 HA PHE 41 HA PHE 41 11.982 3.387 -1.065 308 1HB PHE 41 2HB PHE 41 13.309 2.903 1.446 309 2HB PHE 41 3HB PHE 41 11.569 2.719 1.643 310 HD1 PHE 41 HD1 PHE 41 14.534 1.492 -0.151 311 HD2 PHE 41 HD2 PHE 41 10.396 0.901 0.652 312 HE1 PHE 41 HE1 PHE 41 14.663 -0.751 -1.153 313 HE2 PHE 41 HE2 PHE 41 10.519 -1.344 -0.348 314 HZ PHE 41 HZ PHE 41 12.655 -2.173 -1.251 315 H VAL 42 H VAL 42 9.752 3.463 -0.836 316 HA VAL 42 HA VAL 42 8.642 5.506 0.951 317 HB VAL 42 HB VAL 42 8.005 5.312 -1.997 318 1HG1 VAL 42 1HG1 VAL 42 6.820 6.991 0.204 319 2HG1 VAL 42 2HG1 VAL 42 6.612 7.348 -1.512 320 3HG1 VAL 42 3HG1 VAL 42 5.994 5.837 -0.843 321 1HG2 VAL 42 1HG2 VAL 42 10.177 6.430 -1.292 322 2HG2 VAL 42 2HG2 VAL 42 9.072 7.395 -2.272 323 3HG2 VAL 42 3HG2 VAL 42 9.171 7.664 -0.532 324 H GLU 43 H GLU 43 6.498 5.168 1.574 325 HA GLU 43 HA GLU 43 5.409 2.523 0.864 326 1HB GLU 43 2HB GLU 43 6.263 2.956 3.268 327 2HB GLU 43 3HB GLU 43 4.812 3.932 3.451 328 1HG GLU 43 2HG GLU 43 3.572 1.830 2.614 329 2HG GLU 43 3HG GLU 43 5.060 0.984 3.033 330 H PHE 44 H PHE 44 3.564 2.579 -0.217 331 HA PHE 44 HA PHE 44 1.935 5.018 -0.114 332 1HB PHE 44 2HB PHE 44 2.743 3.280 -2.235 333 2HB PHE 44 3HB PHE 44 0.987 3.234 -2.113 334 HD1 PHE 44 HD1 PHE 44 3.415 4.668 -3.923 335 HD2 PHE 44 HD2 PHE 44 0.143 5.846 -1.469 336 HE1 PHE 44 HE1 PHE 44 3.282 6.806 -5.133 337 HE2 PHE 44 HE2 PHE 44 0.004 7.985 -2.676 338 HZ PHE 44 HZ PHE 44 1.574 8.468 -4.511 339 H GLU 45 H GLU 45 0.133 5.004 1.041 340 HA GLU 45 HA GLU 45 -0.833 2.893 2.520 341 1HB GLU 45 2HB GLU 45 -2.809 4.192 2.908 342 2HB GLU 45 3HB GLU 45 -1.448 5.301 2.802 343 1HG GLU 45 2HG GLU 45 -2.075 5.721 0.424 344 2HG GLU 45 3HG GLU 45 -3.529 4.763 0.700 345 H ASP 46 H ASP 46 -1.561 3.766 -0.794 346 HA ASP 46 HA ASP 46 -3.155 1.299 -1.028 347 1HB ASP 46 2HB ASP 46 -3.736 4.057 -2.006 348 2HB ASP 46 3HB ASP 46 -4.230 2.699 -3.014 349 HA PRO 47 HA PRO 47 -0.362 0.095 -4.199 350 1HB PRO 47 2HB PRO 47 -1.975 -1.534 -5.654 351 2HB PRO 47 3HB PRO 47 -1.332 -1.984 -4.071 352 1HG PRO 47 2HG PRO 47 -4.035 -0.911 -4.783 353 2HG PRO 47 3HG PRO 47 -3.610 -2.222 -3.667 354 1HD PRO 47 2HD PRO 47 -4.216 0.276 -2.817 355 2HD PRO 47 3HD PRO 47 -3.056 -0.765 -1.968 356 H ARG 48 H ARG 48 -3.610 1.012 -5.339 357 HA ARG 48 HA ARG 48 -3.083 1.464 -7.998 358 1HB ARG 48 2HB ARG 48 -5.323 1.607 -6.956 359 2HB ARG 48 3HB ARG 48 -4.869 3.143 -6.230 360 1HG ARG 48 2HG ARG 48 -4.498 4.022 -8.547 361 2HG ARG 48 3HG ARG 48 -5.213 2.526 -9.151 362 1HD ARG 48 2HD ARG 48 -6.513 4.633 -7.438 363 2HD ARG 48 3HD ARG 48 -6.933 4.177 -9.088 364 HE ARG 48 HE ARG 48 -7.190 1.922 -7.450 365 1HH1 ARG 48 1HH1 ARG 48 -8.684 5.026 -7.954 366 2HH1 ARG 48 2HH1 ARG 48 -10.248 4.507 -7.417 367 1HH2 ARG 48 1HH2 ARG 48 -9.244 1.226 -6.741 368 2HH2 ARG 48 2HH2 ARG 48 -10.565 2.345 -6.727 369 H ASP 49 H ASP 49 -2.683 3.751 -5.308 370 HA ASP 49 HA ASP 49 -1.781 5.921 -6.850 371 1HB ASP 49 2HB ASP 49 -0.988 5.334 -3.994 372 2HB ASP 49 3HB ASP 49 -1.067 6.907 -4.782 373 H ALA 50 H ALA 50 -0.101 3.179 -5.439 374 HA ALA 50 HA ALA 50 2.531 4.158 -5.904 375 1HB ALA 50 1HB ALA 50 3.291 2.106 -5.134 376 2HB ALA 50 2HB ALA 50 1.743 2.286 -4.309 377 3HB ALA 50 3HB ALA 50 1.871 1.244 -5.726 378 H GLU 51 H GLU 51 0.305 2.115 -7.731 379 HA GLU 51 HA GLU 51 2.130 1.365 -9.756 380 1HB GLU 51 2HB GLU 51 -0.440 0.673 -9.103 381 2HB GLU 51 3HB GLU 51 -0.680 1.603 -10.575 382 1HG GLU 51 2HG GLU 51 -0.116 -0.163 -11.770 383 2HG GLU 51 3HG GLU 51 1.489 -0.137 -11.042 384 H ASP 52 H ASP 52 -0.280 3.964 -9.567 385 HA ASP 52 HA ASP 52 0.285 5.011 -12.150 386 1HB ASP 52 2HB ASP 52 -1.286 5.900 -9.778 387 2HB ASP 52 3HB ASP 52 -0.847 7.116 -10.976 388 H ALA 53 H ALA 53 1.511 5.649 -8.923 389 HA ALA 53 HA ALA 53 2.948 8.013 -9.613 390 1HB ALA 53 1HB ALA 53 2.996 6.153 -7.264 391 2HB ALA 53 2HB ALA 53 4.178 7.452 -7.423 392 3HB ALA 53 3HB ALA 53 2.457 7.830 -7.345 393 H VAL 54 H VAL 54 3.987 4.657 -8.999 394 HA VAL 54 HA VAL 54 6.691 5.033 -9.635 395 HB VAL 54 HB VAL 54 4.966 2.562 -9.755 396 1HG1 VAL 54 1HG1 VAL 54 6.606 1.827 -11.146 397 2HG1 VAL 54 2HG1 VAL 54 7.795 2.980 -10.536 398 3HG1 VAL 54 3HG1 VAL 54 7.415 1.529 -9.608 399 1HG2 VAL 54 1HG2 VAL 54 6.284 3.999 -7.656 400 2HG2 VAL 54 2HG2 VAL 54 5.247 2.576 -7.551 401 3HG2 VAL 54 3HG2 VAL 54 6.982 2.386 -7.803 402 H ARG 55 H ARG 55 3.951 4.031 -11.649 403 HA ARG 55 HA ARG 55 5.465 3.584 -14.000 404 1HB ARG 55 2HB ARG 55 3.413 3.310 -15.105 405 2HB ARG 55 3HB ARG 55 3.089 2.787 -13.458 406 1HG ARG 55 2HG ARG 55 2.068 4.948 -12.966 407 2HG ARG 55 3HG ARG 55 2.402 5.480 -14.615 408 1HD ARG 55 2HD ARG 55 0.666 3.136 -13.849 409 2HD ARG 55 3HD ARG 55 0.077 4.728 -14.324 410 HE ARG 55 HE ARG 55 0.939 2.647 -16.056 411 1HH1 ARG 55 1HH1 ARG 55 0.880 6.108 -15.690 412 2HH1 ARG 55 2HH1 ARG 55 0.930 6.420 -17.393 413 1HH2 ARG 55 1HH2 ARG 55 1.006 3.044 -18.301 414 2HH2 ARG 55 2HH2 ARG 55 1.001 4.677 -18.878 415 H GLY 56 H GLY 56 3.849 6.411 -12.662 416 1HA GLY 56 2HA GLY 56 4.172 8.029 -14.999 417 2HA GLY 56 3HA GLY 56 3.735 8.595 -13.394 418 H LEU 57 H LEU 57 5.947 7.745 -11.940 419 HA LEU 57 HA LEU 57 7.809 9.807 -12.580 420 1HB LEU 57 2HB LEU 57 8.024 7.570 -10.571 421 2HB LEU 57 3HB LEU 57 9.056 8.998 -10.638 422 HG LEU 57 HG LEU 57 6.090 9.224 -10.225 423 1HD1 LEU 57 1HD1 LEU 57 6.451 9.242 -7.839 424 2HD1 LEU 57 2HD1 LEU 57 8.175 8.949 -8.065 425 3HD1 LEU 57 3HD1 LEU 57 7.003 7.707 -8.509 426 1HD2 LEU 57 1HD2 LEU 57 8.292 11.020 -9.252 427 2HD2 LEU 57 2HD2 LEU 57 6.574 11.378 -9.430 428 3HD2 LEU 57 3HD2 LEU 57 7.588 11.187 -10.861 429 H ASP 58 H ASP 58 7.950 6.260 -12.650 430 HA ASP 58 HA ASP 58 10.620 6.179 -13.665 431 1HB ASP 58 2HB ASP 58 9.177 4.352 -12.402 432 2HB ASP 58 3HB ASP 58 8.737 3.892 -14.044 433 H GLY 59 H GLY 59 7.425 6.267 -15.080 434 1HA GLY 59 2HA GLY 59 8.422 5.645 -17.739 435 2HA GLY 59 3HA GLY 59 6.756 5.996 -17.304 436 H LYS 60 H LYS 60 7.922 8.436 -15.816 437 HA LYS 60 HA LYS 60 8.768 10.127 -18.011 438 1HB LYS 60 2HB LYS 60 6.359 10.182 -18.303 439 2HB LYS 60 3HB LYS 60 6.129 10.561 -16.601 440 1HG LYS 60 2HG LYS 60 5.849 12.531 -18.002 441 2HG LYS 60 3HG LYS 60 7.226 12.709 -16.912 442 1HD LYS 60 2HD LYS 60 8.746 12.110 -18.734 443 2HD LYS 60 3HD LYS 60 7.370 11.919 -19.823 444 1HE LYS 60 2HE LYS 60 7.190 14.473 -18.581 445 2HE LYS 60 3HE LYS 60 8.827 14.274 -19.205 446 1HZ LYS 60 1HZ LYS 60 7.861 13.673 -21.361 447 2HZ LYS 60 2HZ LYS 60 7.418 15.234 -20.882 448 3HZ LYS 60 3HZ LYS 60 6.310 13.962 -20.750 449 H VAL 61 H VAL 61 10.367 11.293 -17.197 450 HA VAL 61 HA VAL 61 11.118 11.510 -14.570 451 HB VAL 61 HB VAL 61 12.552 13.319 -15.175 452 1HG1 VAL 61 1HG1 VAL 61 13.708 12.411 -17.041 453 2HG1 VAL 61 2HG1 VAL 61 12.959 11.055 -16.196 454 3HG1 VAL 61 3HG1 VAL 61 12.236 11.679 -17.679 455 1HG2 VAL 61 1HG2 VAL 61 12.277 14.464 -17.398 456 2HG2 VAL 61 2HG2 VAL 61 10.680 13.723 -17.500 457 3HG2 VAL 61 3HG2 VAL 61 11.046 14.851 -16.195 458 H ILE 62 H ILE 62 10.933 13.111 -12.965 459 HA ILE 62 HA ILE 62 8.562 14.840 -13.245 460 HB ILE 62 HB ILE 62 8.055 13.153 -11.633 461 1HG1 ILE 62 2HG1 ILE 62 7.848 15.788 -11.108 462 2HG1 ILE 62 3HG1 ILE 62 7.248 14.541 -10.020 463 1HG2 ILE 62 1HG2 ILE 62 10.240 12.318 -11.128 464 2HG2 ILE 62 2HG2 ILE 62 10.705 13.845 -10.379 465 3HG2 ILE 62 3HG2 ILE 62 9.486 12.825 -9.617 466 1HD1 ILE 62 1HD1 ILE 62 9.047 14.785 -8.564 467 2HD1 ILE 62 2HD1 ILE 62 10.025 15.627 -9.766 468 3HD1 ILE 62 3HD1 ILE 62 8.640 16.435 -9.032 469 H CYS 63 H CYS 63 8.910 16.952 -13.092 470 HA CYS 63 HA CYS 63 10.037 18.928 -12.889 471 1HB CYS 63 2HB CYS 63 9.408 18.068 -10.448 472 2HB CYS 63 3HB CYS 63 11.159 18.040 -10.275 473 HG CYS 63 HG CYS 63 10.427 20.898 -11.622 474 H GLY 64 H GLY 64 11.483 17.055 -14.364 475 1HA GLY 64 2HA GLY 64 13.586 16.915 -15.296 476 2HA GLY 64 3HA GLY 64 14.107 18.167 -14.178 477 H SER 65 H SER 65 12.660 15.131 -13.181 478 HA SER 65 HA SER 65 15.290 14.251 -12.191 479 1HB SER 65 2HB SER 65 13.902 15.181 -10.350 480 2HB SER 65 3HB SER 65 12.663 13.979 -10.710 481 HG SER 65 HG SER 65 13.765 12.846 -9.310 482 H ARG 66 H ARG 66 15.709 12.643 -13.610 483 HA ARG 66 HA ARG 66 13.637 10.750 -14.351 484 1HB ARG 66 2HB ARG 66 15.318 9.801 -15.848 485 2HB ARG 66 3HB ARG 66 15.209 11.544 -16.057 486 1HG ARG 66 2HG ARG 66 17.367 11.775 -15.633 487 2HG ARG 66 3HG ARG 66 17.194 10.939 -14.088 488 1HD ARG 66 2HD ARG 66 18.600 9.465 -15.075 489 2HD ARG 66 3HD ARG 66 17.092 8.832 -15.735 490 HE ARG 66 HE ARG 66 17.767 9.507 -17.811 491 1HH1 ARG 66 1HH1 ARG 66 19.678 11.154 -15.411 492 2HH1 ARG 66 2HH1 ARG 66 20.754 11.865 -16.568 493 1HH2 ARG 66 1HH2 ARG 66 19.178 10.438 -19.343 494 2HH2 ARG 66 2HH2 ARG 66 20.468 11.458 -18.804 495 H VAL 67 H VAL 67 13.973 10.571 -11.687 496 HA VAL 67 HA VAL 67 15.938 8.774 -10.779 497 HB VAL 67 HB VAL 67 14.363 8.365 -8.863 498 1HG1 VAL 67 1HG1 VAL 67 15.886 10.058 -8.453 499 2HG1 VAL 67 2HG1 VAL 67 15.224 11.100 -9.715 500 3HG1 VAL 67 3HG1 VAL 67 14.343 10.876 -8.203 501 1HG2 VAL 67 1HG2 VAL 67 12.307 9.544 -8.709 502 2HG2 VAL 67 2HG2 VAL 67 12.634 10.444 -10.190 503 3HG2 VAL 67 3HG2 VAL 67 12.300 8.714 -10.265 504 H ARG 68 H ARG 68 15.342 6.591 -9.798 505 HA ARG 68 HA ARG 68 13.710 5.082 -11.734 506 1HB ARG 68 2HB ARG 68 16.439 4.772 -11.026 507 2HB ARG 68 3HB ARG 68 15.572 3.389 -10.369 508 1HG ARG 68 2HG ARG 68 16.449 2.956 -12.612 509 2HG ARG 68 3HG ARG 68 14.688 2.861 -12.559 510 1HD ARG 68 2HD ARG 68 15.668 4.084 -14.537 511 2HD ARG 68 3HD ARG 68 14.448 4.962 -13.615 512 HE ARG 68 HE ARG 68 16.050 6.488 -12.999 513 1HH1 ARG 68 1HH1 ARG 68 17.582 3.693 -14.400 514 2HH1 ARG 68 2HH1 ARG 68 19.149 4.427 -14.473 515 1HH2 ARG 68 1HH2 ARG 68 18.109 7.465 -13.090 516 2HH2 ARG 68 2HH2 ARG 68 19.448 6.572 -13.727 517 H VAL 69 H VAL 69 11.818 4.725 -10.735 518 HA VAL 69 HA VAL 69 11.874 3.755 -7.954 519 HB VAL 69 HB VAL 69 10.564 5.747 -8.089 520 1HG1 VAL 69 1HG1 VAL 69 8.600 5.898 -9.618 521 2HG1 VAL 69 2HG1 VAL 69 10.158 5.883 -10.446 522 3HG1 VAL 69 3HG1 VAL 69 9.164 4.426 -10.408 523 1HG2 VAL 69 1HG2 VAL 69 8.389 4.963 -7.352 524 2HG2 VAL 69 2HG2 VAL 69 8.686 3.384 -8.080 525 3HG2 VAL 69 3HG2 VAL 69 9.658 3.920 -6.709 526 H GLU 70 H GLU 70 10.833 1.874 -7.400 527 HA GLU 70 HA GLU 70 9.404 0.391 -9.470 528 1HB GLU 70 2HB GLU 70 12.072 -0.138 -8.965 529 2HB GLU 70 3HB GLU 70 11.234 -1.332 -7.983 530 1HG GLU 70 2HG GLU 70 10.361 -2.416 -9.790 531 2HG GLU 70 3HG GLU 70 10.369 -0.972 -10.800 532 H LEU 71 H LEU 71 8.376 -1.607 -8.559 533 HA LEU 71 HA LEU 71 7.482 -1.070 -5.808 534 1HB LEU 71 2HB LEU 71 6.134 -2.235 -8.207 535 2HB LEU 71 3HB LEU 71 5.562 -2.649 -6.592 536 HG LEU 71 HG LEU 71 5.821 0.203 -6.846 537 1HD1 LEU 71 1HD1 LEU 71 4.136 0.610 -8.535 538 2HD1 LEU 71 2HD1 LEU 71 4.026 -1.117 -8.877 539 3HD1 LEU 71 3HD1 LEU 71 5.510 -0.239 -9.245 540 1HD2 LEU 71 1HD2 LEU 71 3.687 -1.791 -6.210 541 2HD2 LEU 71 2HD2 LEU 71 3.270 -0.093 -6.440 542 3HD2 LEU 71 3HD2 LEU 71 4.414 -0.558 -5.179 543 H SER 72 H SER 72 8.486 -2.330 -4.386 544 HA SER 72 HA SER 72 9.746 -4.777 -5.022 545 1HB SER 72 2HB SER 72 9.712 -3.032 -2.838 546 2HB SER 72 3HB SER 72 9.070 -4.550 -2.208 547 HG SER 72 HG SER 72 10.937 -5.541 -2.637 548 H THR 73 H THR 73 6.523 -3.965 -4.063 549 HA THR 73 HA THR 73 5.728 -6.748 -4.377 550 HB THR 73 HB THR 73 4.511 -5.410 -2.023 551 HG1 THR 73 HG1 THR 73 6.923 -6.800 -1.614 552 1HG2 THR 73 1HG2 THR 73 3.968 -7.526 -1.416 553 2HG2 THR 73 2HG2 THR 73 5.511 -8.190 -1.955 554 3HG2 THR 73 3HG2 THR 73 4.239 -7.849 -3.128 555 H GLY 74 H GLY 74 3.772 -6.959 -5.327 556 1HA GLY 74 2HA GLY 74 1.539 -6.326 -5.806 557 2HA GLY 74 3HA GLY 74 1.924 -4.686 -5.306 558 H MET 75 H MET 75 4.083 -6.366 -7.432 559 HA MET 75 HA MET 75 2.997 -4.890 -9.732 560 1HB MET 75 2HB MET 75 4.866 -3.588 -8.994 561 2HB MET 75 3HB MET 75 5.873 -5.020 -8.827 562 1HG MET 75 2HG MET 75 6.533 -4.892 -10.934 563 2HG MET 75 3HG MET 75 4.871 -4.796 -11.511 564 1HE MET 75 1HE MET 75 6.791 -3.626 -13.198 565 2HE MET 75 2HE MET 75 5.239 -2.864 -13.544 566 3HE MET 75 3HE MET 75 6.684 -1.871 -13.342 567 HA PRO 76 HA PRO 76 3.457 -9.304 -10.891 568 1HB PRO 76 2HB PRO 76 1.313 -9.303 -12.556 569 2HB PRO 76 3HB PRO 76 1.174 -9.546 -10.811 570 1HG PRO 76 2HG PRO 76 0.722 -7.062 -12.419 571 2HG PRO 76 3HG PRO 76 -0.237 -7.717 -11.079 572 1HD PRO 76 2HD PRO 76 1.528 -5.690 -10.752 573 2HD PRO 76 3HD PRO 76 1.196 -6.882 -9.479 574 H ARG 77 H ARG 77 5.027 -9.647 -12.328 575 HA ARG 77 HA ARG 77 4.729 -8.589 -15.034 576 1HB ARG 77 2HB ARG 77 6.623 -7.584 -13.141 577 2HB ARG 77 3HB ARG 77 7.494 -8.430 -14.413 578 1HG ARG 77 2HG ARG 77 5.551 -6.862 -15.698 579 2HG ARG 77 3HG ARG 77 6.287 -5.841 -14.460 580 1HD ARG 77 2HD ARG 77 8.096 -7.498 -16.127 581 2HD ARG 77 3HD ARG 77 7.325 -6.111 -16.896 582 HE ARG 77 HE ARG 77 8.553 -5.480 -14.381 583 1HH1 ARG 77 1HH1 ARG 77 9.089 -5.868 -17.799 584 2HH1 ARG 77 2HH1 ARG 77 10.475 -4.829 -17.832 585 1HH2 ARG 77 1HH2 ARG 77 10.376 -4.109 -14.412 586 2HH2 ARG 77 2HH2 ARG 77 11.207 -3.830 -15.905 587 H ARG 78 H ARG 78 6.567 -9.548 -16.457 588 HA ARG 78 HA ARG 78 6.553 -12.421 -15.966 589 1HB ARG 78 2HB ARG 78 7.316 -12.597 -18.308 590 2HB ARG 78 3HB ARG 78 5.825 -11.676 -18.158 591 1HG ARG 78 2HG ARG 78 7.195 -9.591 -18.258 592 2HG ARG 78 3HG ARG 78 8.595 -10.602 -18.621 593 1HD ARG 78 2HD ARG 78 7.834 -9.927 -20.720 594 2HD ARG 78 3HD ARG 78 7.168 -11.548 -20.530 595 HE ARG 78 HE ARG 78 5.322 -9.618 -19.608 596 1HH1 ARG 78 1HH1 ARG 78 6.690 -10.910 -22.537 597 2HH1 ARG 78 2HH1 ARG 78 5.299 -10.542 -23.503 598 1HH2 ARG 78 1HH2 ARG 78 3.485 -9.129 -20.869 599 2HH2 ARG 78 2HH2 ARG 78 3.477 -9.529 -22.553 600 H SER 79 H SER 79 8.868 -9.818 -16.637 601 HA SER 79 HA SER 79 10.980 -11.524 -15.497 602 1HB SER 79 2HB SER 79 11.345 -9.591 -17.798 603 2HB SER 79 3HB SER 79 12.578 -10.643 -17.102 604 HG SER 79 HG SER 79 11.911 -12.092 -18.454 605 H ARG 80 H ARG 80 13.043 -9.767 -15.418 606 HA ARG 80 HA ARG 80 13.944 -8.195 -14.035 607 1HB ARG 80 2HB ARG 80 11.532 -6.733 -15.106 608 2HB ARG 80 3HB ARG 80 12.743 -5.955 -14.096 609 1HG ARG 80 2HG ARG 80 13.988 -7.362 -16.277 610 2HG ARG 80 3HG ARG 80 12.772 -6.226 -16.866 611 1HD ARG 80 2HD ARG 80 13.816 -4.417 -15.661 612 2HD ARG 80 3HD ARG 80 14.963 -5.530 -14.916 613 HE ARG 80 HE ARG 80 15.307 -5.824 -17.627 614 1HH1 ARG 80 1HH1 ARG 80 15.513 -3.213 -15.333 615 2HH1 ARG 80 2HH1 ARG 80 16.725 -2.353 -16.224 616 1HH2 ARG 80 1HH2 ARG 80 16.902 -4.701 -18.809 617 2HH2 ARG 80 2HH2 ARG 80 17.514 -3.200 -18.201 618 H PHE 81 H PHE 81 12.062 -10.121 -12.864 619 HA PHE 81 HA PHE 81 11.162 -8.538 -10.547 620 1HB PHE 81 2HB PHE 81 9.342 -10.015 -10.229 621 2HB PHE 81 3HB PHE 81 9.376 -9.695 -11.960 622 HD1 PHE 81 HD1 PHE 81 9.868 -12.187 -9.349 623 HD2 PHE 81 HD2 PHE 81 10.065 -11.417 -13.530 624 HE1 PHE 81 HE1 PHE 81 9.965 -14.607 -9.786 625 HE2 PHE 81 HE2 PHE 81 10.161 -13.835 -13.974 626 HZ PHE 81 HZ PHE 81 10.111 -15.433 -12.102 627 H ASP 82 H ASP 82 12.025 -9.007 -8.628 628 HA ASP 82 HA ASP 82 13.925 -11.213 -8.469 629 1HB ASP 82 2HB ASP 82 14.740 -9.078 -7.698 630 2HB ASP 82 3HB ASP 82 13.360 -8.890 -6.619 631 H ARG 83 H ARG 83 11.057 -10.004 -6.771 632 HA ARG 83 HA ARG 83 10.699 -12.701 -5.645 633 1HB ARG 83 2HB ARG 83 10.833 -10.109 -4.278 634 2HB ARG 83 3HB ARG 83 9.420 -11.063 -3.848 635 1HG ARG 83 2HG ARG 83 10.713 -12.810 -2.991 636 2HG ARG 83 3HG ARG 83 12.175 -12.239 -3.798 637 1HD ARG 83 2HD ARG 83 11.752 -10.103 -2.316 638 2HD ARG 83 3HD ARG 83 10.855 -11.247 -1.318 639 HE ARG 83 HE ARG 83 13.707 -11.088 -1.639 640 1HH1 ARG 83 1HH1 ARG 83 11.028 -13.149 -0.806 641 2HH1 ARG 83 2HH1 ARG 83 11.988 -14.234 0.145 642 1HH2 ARG 83 1HH2 ARG 83 14.983 -12.509 -0.390 643 2HH2 ARG 83 2HH2 ARG 83 14.238 -13.868 0.381 644 HA PRO 84 HA PRO 84 6.600 -12.677 -7.205 645 1HB PRO 84 2HB PRO 84 5.197 -13.875 -5.214 646 2HB PRO 84 3HB PRO 84 6.323 -14.751 -6.258 647 1HG PRO 84 2HG PRO 84 6.742 -13.688 -3.491 648 2HG PRO 84 3HG PRO 84 7.230 -15.250 -4.175 649 1HD PRO 84 2HD PRO 84 8.955 -13.182 -3.889 650 2HD PRO 84 3HD PRO 84 9.085 -14.358 -5.213 651 HA PRO 85 HA PRO 85 4.660 -8.998 -5.673 652 1HB PRO 85 2HB PRO 85 2.414 -9.124 -7.193 653 2HB PRO 85 3HB PRO 85 3.987 -8.644 -7.841 654 1HG PRO 85 2HG PRO 85 2.609 -11.297 -7.986 655 2HG PRO 85 3HG PRO 85 3.495 -10.426 -9.251 656 1HD PRO 85 2HD PRO 85 4.589 -12.470 -7.851 657 2HD PRO 85 3HD PRO 85 5.549 -11.105 -8.456 658 H ALA 86 H ALA 86 2.861 -8.349 -4.415 659 HA ALA 86 HA ALA 86 1.675 -10.524 -2.892 660 1HB ALA 86 1HB ALA 86 1.897 -7.566 -2.489 661 2HB ALA 86 2HB ALA 86 0.766 -8.526 -1.534 662 3HB ALA 86 3HB ALA 86 2.493 -8.879 -1.472 663 H ARG 87 H ARG 87 0.650 -10.589 -5.393 664 HA ARG 87 HA ARG 87 -1.929 -9.204 -5.301 665 1HB ARG 87 2HB ARG 87 -0.735 -10.841 -7.544 666 2HB ARG 87 3HB ARG 87 -2.169 -9.827 -7.634 667 1HG ARG 87 2HG ARG 87 0.496 -8.674 -6.906 668 2HG ARG 87 3HG ARG 87 0.030 -8.925 -8.590 669 1HD ARG 87 2HD ARG 87 -1.526 -7.315 -6.570 670 2HD ARG 87 3HD ARG 87 -0.457 -6.642 -7.800 671 HE ARG 87 HE ARG 87 -2.538 -8.333 -8.847 672 1HH1 ARG 87 1HH1 ARG 87 -1.666 -5.102 -7.890 673 2HH1 ARG 87 2HH1 ARG 87 -2.863 -4.343 -8.886 674 1HH2 ARG 87 1HH2 ARG 87 -4.119 -7.347 -10.163 675 2HH2 ARG 87 2HH2 ARG 87 -4.258 -5.621 -10.178 676 H ARG 88 H ARG 88 -0.698 -12.474 -6.032 677 HA ARG 88 HA ARG 88 -1.614 -14.539 -5.762 678 1HB ARG 88 2HB ARG 88 -2.787 -13.049 -3.426 679 2HB ARG 88 3HB ARG 88 -3.153 -14.745 -3.707 680 1HG ARG 88 2HG ARG 88 -1.181 -15.414 -2.916 681 2HG ARG 88 3HG ARG 88 -0.303 -14.166 -3.801 682 1HD ARG 88 2HD ARG 88 -0.446 -12.655 -2.084 683 2HD ARG 88 3HD ARG 88 -1.934 -13.356 -1.449 684 HE ARG 88 HE ARG 88 0.066 -15.244 -1.092 685 1HH1 ARG 88 1HH1 ARG 88 -0.668 -12.018 -0.008 686 2HH1 ARG 88 2HH1 ARG 88 0.145 -12.203 1.510 687 1HH2 ARG 88 1HH2 ARG 88 1.139 -15.500 0.904 688 2HH2 ARG 88 2HH2 ARG 88 1.173 -14.183 2.028 689 H LYS 89 H LYS 89 -3.952 -15.625 -5.275 690 HA LYS 89 HA LYS 89 -5.510 -15.061 -7.533 691 1HB LYS 89 2HB LYS 89 -5.377 -17.129 -5.798 692 2HB LYS 89 3HB LYS 89 -6.864 -16.368 -5.248 693 1HG LYS 89 2HG LYS 89 -7.869 -17.576 -6.822 694 2HG LYS 89 3HG LYS 89 -7.191 -16.418 -7.969 695 1HD LYS 89 2HD LYS 89 -5.148 -18.266 -7.429 696 2HD LYS 89 3HD LYS 89 -6.618 -19.217 -7.650 697 1HE LYS 89 2HE LYS 89 -6.967 -17.702 -9.733 698 2HE LYS 89 3HE LYS 89 -5.243 -17.376 -9.566 699 1HZ LYS 89 1HZ LYS 89 -5.396 -20.076 -9.366 700 2HZ LYS 89 2HZ LYS 89 -4.974 -19.219 -10.762 701 3HZ LYS 89 3HZ LYS 89 -6.571 -19.728 -10.532 702 H LEU 90 H LEU 90 -8.086 -14.880 -7.034 703 HA LEU 90 HA LEU 90 -9.764 -13.392 -6.654 704 1HB LEU 90 2HB LEU 90 -8.806 -14.144 -4.238 705 2HB LEU 90 3HB LEU 90 -8.601 -12.397 -4.138 706 HG LEU 90 HG LEU 90 -10.687 -12.938 -3.133 707 1HD1 LEU 90 1HD1 LEU 90 -11.218 -11.906 -5.916 708 2HD1 LEU 90 2HD1 LEU 90 -10.654 -10.937 -4.555 709 3HD1 LEU 90 3HD1 LEU 90 -12.249 -11.688 -4.501 710 1HD2 LEU 90 1HD2 LEU 90 -11.232 -15.072 -3.882 711 2HD2 LEU 90 2HD2 LEU 90 -11.098 -14.618 -5.581 712 3HD2 LEU 90 3HD2 LEU 90 -12.467 -14.053 -4.621 713 H LEU 91 H LEU 91 -7.596 -12.434 -8.186 714 HA LEU 91 HA LEU 91 -8.155 -9.691 -8.257 715 1HB LEU 91 2HB LEU 91 -6.478 -10.190 -6.195 716 2HB LEU 91 3HB LEU 91 -5.319 -9.920 -7.495 717 HG LEU 91 HG LEU 91 -5.664 -7.871 -6.280 718 1HD1 LEU 91 1HD1 LEU 91 -5.686 -8.069 -8.940 719 2HD1 LEU 91 2HD1 LEU 91 -5.790 -6.525 -8.096 720 3HD1 LEU 91 3HD1 LEU 91 -7.254 -7.295 -8.706 721 1HD2 LEU 91 1HD2 LEU 91 -7.991 -8.556 -5.508 722 2HD2 LEU 91 2HD2 LEU 91 -8.567 -7.927 -7.052 723 3HD2 LEU 91 3HD2 LEU 91 -7.750 -6.857 -5.912 724 H GLU 92 H GLU 92 -5.677 -12.140 -8.890 725 HA GLU 92 HA GLU 92 -4.621 -10.871 -11.202 726 1HB GLU 92 2HB GLU 92 -3.549 -12.700 -9.744 727 2HB GLU 92 3HB GLU 92 -4.515 -13.833 -10.678 728 1HG GLU 92 2HG GLU 92 -3.451 -12.749 -12.737 729 2HG GLU 92 3HG GLU 92 -2.286 -12.064 -11.605 730 H VAL 93 H VAL 93 -7.347 -12.928 -10.621 731 HA VAL 93 HA VAL 93 -7.723 -13.445 -13.473 732 HB VAL 93 HB VAL 93 -9.475 -14.364 -11.194 733 1HG1 VAL 93 1HG1 VAL 93 -10.748 -14.755 -13.042 734 2HG1 VAL 93 2HG1 VAL 93 -9.353 -14.884 -14.114 735 3HG1 VAL 93 3HG1 VAL 93 -9.781 -16.229 -13.055 736 1HG2 VAL 93 1HG2 VAL 93 -7.088 -15.709 -12.449 737 2HG2 VAL 93 2HG2 VAL 93 -7.274 -15.216 -10.766 738 3HG2 VAL 93 3HG2 VAL 93 -8.258 -16.529 -11.415 739 H LEU 94 H LEU 94 -9.633 -12.861 -14.579 740 HA LEU 94 HA LEU 94 -11.679 -11.279 -13.408 741 1HB LEU 94 2HB LEU 94 -11.125 -9.151 -13.950 742 2HB LEU 94 3HB LEU 94 -9.504 -9.794 -13.699 743 HG LEU 94 HG LEU 94 -9.886 -10.252 -16.366 744 1HD1 LEU 94 1HD1 LEU 94 -11.639 -8.043 -15.527 745 2HD1 LEU 94 2HD1 LEU 94 -11.713 -9.077 -16.953 746 3HD1 LEU 94 3HD1 LEU 94 -10.598 -7.711 -16.911 747 1HD2 LEU 94 1HD2 LEU 94 -8.062 -9.029 -14.865 748 2HD2 LEU 94 2HD2 LEU 94 -8.812 -7.603 -15.582 749 3HD2 LEU 94 3HD2 LEU 94 -8.117 -8.849 -16.619 750 H PHE 95 H PHE 95 -13.034 -10.202 -15.219 751 HA PHE 95 HA PHE 95 -13.919 -12.171 -16.965 752 1HB PHE 95 2HB PHE 95 -14.248 -9.171 -17.175 753 2HB PHE 95 3HB PHE 95 -15.177 -10.350 -18.096 754 HD1 PHE 95 HD1 PHE 95 -14.720 -8.733 -14.879 755 HD2 PHE 95 HD2 PHE 95 -16.808 -11.794 -16.973 756 HE1 PHE 95 HE1 PHE 95 -16.355 -8.867 -13.045 757 HE2 PHE 95 HE2 PHE 95 -18.447 -11.933 -15.144 758 HZ PHE 95 HZ PHE 95 -18.223 -10.468 -13.177 759 H ASN 96 H ASN 96 -14.170 -11.482 -19.463 760 HA ASN 96 HA ASN 96 -11.629 -10.586 -20.563 761 1HB ASN 96 2HB ASN 96 -12.714 -13.378 -20.904 762 2HB ASN 96 3HB ASN 96 -11.607 -12.662 -22.071 763 1HD2 ASN 96 1HD2 ASN 96 -11.970 -13.367 -18.629 764 2HD2 ASN 96 2HD2 ASN 96 -10.292 -13.654 -18.331 765 H GLY 97 H GLY 97 -14.496 -9.754 -20.532 766 1HA GLY 97 2HA GLY 97 -15.840 -8.629 -22.031 767 2HA GLY 97 3HA GLY 97 -14.663 -8.996 -23.284 768 HA PRO 98 HA PRO 98 -17.653 -12.801 -23.034 769 1HB PRO 98 2HB PRO 98 -19.906 -12.458 -21.559 770 2HB PRO 98 3HB PRO 98 -18.408 -13.113 -20.887 771 1HG PRO 98 2HG PRO 98 -19.498 -10.330 -20.727 772 2HG PRO 98 3HG PRO 98 -18.739 -11.308 -19.458 773 1HD PRO 98 2HD PRO 98 -17.403 -9.374 -20.801 774 2HD PRO 98 3HD PRO 98 -16.607 -10.842 -20.199 775 H LEU 99 H LEU 99 -18.628 -9.499 -23.232 776 HA LEU 99 HA LEU 99 -20.953 -10.062 -24.878 777 1HB LEU 99 2HB LEU 99 -20.548 -8.108 -23.158 778 2HB LEU 99 3HB LEU 99 -19.820 -7.326 -24.560 779 HG LEU 99 HG LEU 99 -22.013 -7.735 -25.760 780 1HD1 LEU 99 1HD1 LEU 99 -23.759 -7.752 -23.602 781 2HD1 LEU 99 2HD1 LEU 99 -22.582 -9.012 -23.231 782 3HD1 LEU 99 3HD1 LEU 99 -23.479 -9.063 -24.749 783 1HD2 LEU 99 1HD2 LEU 99 -23.132 -5.829 -24.606 784 2HD2 LEU 99 2HD2 LEU 99 -21.442 -5.534 -25.016 785 3HD2 LEU 99 3HD2 LEU 99 -21.893 -5.923 -23.355 786 H GLU 100 H GLU 100 -20.636 -10.619 -26.928 787 HA GLU 100 HA GLU 100 -18.308 -9.611 -28.370 788 1HB GLU 100 2HB GLU 100 -18.766 -11.295 -30.011 789 2HB GLU 100 3HB GLU 100 -18.909 -12.040 -28.425 790 1HG GLU 100 2HG GLU 100 -20.940 -12.735 -28.928 791 2HG GLU 100 3HG GLU 100 -21.465 -11.066 -29.146 792 H HIS 101 H HIS 101 -21.140 -8.328 -27.722 793 HA HIS 101 HA HIS 101 -22.501 -6.781 -28.687 794 1HB HIS 101 2HB HIS 101 -20.537 -5.521 -29.166 795 2HB HIS 101 3HB HIS 101 -20.099 -6.580 -30.502 796 HD1 HIS 101 HD1 HIS 101 -22.850 -4.118 -29.601 797 HD2 HIS 101 HD2 HIS 101 -20.910 -5.677 -32.927 798 HE1 HIS 101 HE1 HIS 101 -23.757 -2.840 -31.568 Start of MODEL 14 1 1H MET 1 H MET 1 1.419 -2.162 -1.342 2 HA MET 1 HA MET 1 3.163 -3.438 -2.057 3 1HB MET 1 2HB MET 1 3.887 -3.313 -4.333 4 2HB MET 1 3HB MET 1 2.152 -3.029 -4.315 5 1HG MET 1 2HG MET 1 2.465 -0.681 -4.619 6 2HG MET 1 3HG MET 1 4.208 -0.839 -4.416 7 1HE MET 1 1HE MET 1 1.332 -2.546 -6.456 8 2HE MET 1 2HE MET 1 1.261 -0.845 -6.916 9 3HE MET 1 3HE MET 1 1.746 -2.060 -8.100 10 H LYS 2 H LYS 2 5.531 -2.900 -3.276 11 HA LYS 2 HA LYS 2 6.726 -0.970 -1.423 12 1HB LYS 2 2HB LYS 2 7.918 -3.233 -3.029 13 2HB LYS 2 3HB LYS 2 8.881 -2.098 -2.092 14 1HG LYS 2 2HG LYS 2 7.803 -2.817 -0.050 15 2HG LYS 2 3HG LYS 2 6.745 -3.896 -0.962 16 1HD LYS 2 2HD LYS 2 9.600 -4.290 -1.486 17 2HD LYS 2 3HD LYS 2 9.121 -4.615 0.181 18 1HE LYS 2 2HE LYS 2 7.697 -5.765 -2.210 19 2HE LYS 2 3HE LYS 2 9.022 -6.584 -1.385 20 1HZ LYS 2 1HZ LYS 2 6.280 -6.402 -0.646 21 2HZ LYS 2 2HZ LYS 2 7.280 -5.859 0.605 22 3HZ LYS 2 3HZ LYS 2 7.491 -7.412 -0.032 23 H VAL 3 H VAL 3 8.066 0.684 -2.104 24 HA VAL 3 HA VAL 3 8.138 1.181 -5.009 25 HB VAL 3 HB VAL 3 8.097 3.482 -3.111 26 1HG1 VAL 3 1HG1 VAL 3 6.620 4.249 -5.176 27 2HG1 VAL 3 2HG1 VAL 3 8.384 4.288 -5.223 28 3HG1 VAL 3 3HG1 VAL 3 7.510 2.951 -5.972 29 1HG2 VAL 3 1HG2 VAL 3 5.640 1.968 -3.992 30 2HG2 VAL 3 2HG2 VAL 3 6.230 2.140 -2.339 31 3HG2 VAL 3 3HG2 VAL 3 5.635 3.551 -3.214 32 H TYR 4 H TYR 4 10.029 1.920 -5.860 33 HA TYR 4 HA TYR 4 12.254 2.381 -3.986 34 1HB TYR 4 2HB TYR 4 12.086 0.584 -6.360 35 2HB TYR 4 3HB TYR 4 13.616 1.390 -6.038 36 HD1 TYR 4 HD1 TYR 4 14.948 0.808 -4.102 37 HD2 TYR 4 HD2 TYR 4 11.206 -1.088 -4.814 38 HE1 TYR 4 HE1 TYR 4 15.511 -0.915 -2.440 39 HE2 TYR 4 HE2 TYR 4 11.758 -2.815 -3.153 40 HH TYR 4 HH TYR 4 14.842 -2.747 -1.388 41 H VAL 5 H VAL 5 12.526 4.533 -4.113 42 HA VAL 5 HA VAL 5 12.659 5.764 -6.784 43 HB VAL 5 HB VAL 5 12.439 7.941 -5.497 44 1HG1 VAL 5 1HG1 VAL 5 10.422 5.938 -6.111 45 2HG1 VAL 5 2HG1 VAL 5 9.897 7.079 -4.870 46 3HG1 VAL 5 3HG1 VAL 5 10.436 7.670 -6.443 47 1HG2 VAL 5 1HG2 VAL 5 12.813 6.317 -3.302 48 2HG2 VAL 5 2HG2 VAL 5 12.235 7.983 -3.272 49 3HG2 VAL 5 3HG2 VAL 5 11.081 6.649 -3.271 50 H GLY 6 H GLY 6 14.727 5.704 -7.449 51 1HA GLY 6 2HA GLY 6 16.778 6.691 -5.562 52 2HA GLY 6 3HA GLY 6 17.094 5.415 -6.729 53 H ASN 7 H ASN 7 18.866 6.759 -7.452 54 HA ASN 7 HA ASN 7 19.842 8.150 -8.964 55 1HB ASN 7 2HB ASN 7 17.103 7.775 -10.049 56 2HB ASN 7 3HB ASN 7 18.034 9.121 -10.702 57 1HD2 ASN 7 1HD2 ASN 7 18.392 5.682 -9.915 58 2HD2 ASN 7 2HD2 ASN 7 19.339 5.288 -11.306 59 H LEU 8 H LEU 8 19.872 9.461 -6.854 60 HA LEU 8 HA LEU 8 18.335 11.947 -7.137 61 1HB LEU 8 2HB LEU 8 20.012 11.265 -4.756 62 2HB LEU 8 3HB LEU 8 18.601 12.317 -4.860 63 HG LEU 8 HG LEU 8 18.636 9.302 -4.873 64 1HD1 LEU 8 1HD1 LEU 8 16.954 10.048 -2.912 65 2HD1 LEU 8 2HD1 LEU 8 18.090 11.395 -2.871 66 3HD1 LEU 8 3HD1 LEU 8 18.674 9.744 -2.663 67 1HD2 LEU 8 1HD2 LEU 8 16.732 9.366 -6.013 68 2HD2 LEU 8 2HD2 LEU 8 16.727 11.130 -6.008 69 3HD2 LEU 8 3HD2 LEU 8 16.009 10.241 -4.663 70 H GLY 9 H GLY 9 20.147 11.972 -9.009 71 1HA GLY 9 2HA GLY 9 22.445 13.473 -7.915 72 2HA GLY 9 3HA GLY 9 22.506 12.528 -9.396 73 H THR 10 H THR 10 20.813 15.295 -7.939 74 HA THR 10 HA THR 10 21.411 17.090 -9.983 75 HB THR 10 HB THR 10 20.073 15.884 -11.523 76 HG1 THR 10 HG1 THR 10 19.622 18.265 -11.147 77 1HG2 THR 10 1HG2 THR 10 18.859 14.419 -10.070 78 2HG2 THR 10 2HG2 THR 10 17.680 15.330 -11.013 79 3HG2 THR 10 3HG2 THR 10 17.998 15.772 -9.336 80 H GLY 11 H GLY 11 19.161 16.056 -7.504 81 1HA GLY 11 2HA GLY 11 19.191 17.892 -5.682 82 2HA GLY 11 3HA GLY 11 18.457 18.858 -6.954 83 H ALA 12 H ALA 12 17.827 15.443 -6.390 84 HA ALA 12 HA ALA 12 15.145 16.140 -5.398 85 1HB ALA 12 1HB ALA 12 14.909 15.593 -7.737 86 2HB ALA 12 2HB ALA 12 15.791 14.083 -7.505 87 3HB ALA 12 3HB ALA 12 14.210 14.304 -6.756 88 H GLY 13 H GLY 13 15.234 15.478 -3.330 89 1HA GLY 13 2HA GLY 13 16.160 12.714 -2.840 90 2HA GLY 13 3HA GLY 13 16.473 14.028 -1.715 91 H LYS 14 H LYS 14 15.293 13.722 0.048 92 HA LYS 14 HA LYS 14 12.897 12.228 0.127 93 1HB LYS 14 2HB LYS 14 14.665 13.055 1.999 94 2HB LYS 14 3HB LYS 14 13.367 14.208 2.276 95 1HG LYS 14 2HG LYS 14 11.804 12.439 2.693 96 2HG LYS 14 3HG LYS 14 12.997 11.221 2.236 97 1HD LYS 14 2HD LYS 14 14.209 11.487 4.179 98 2HD LYS 14 3HD LYS 14 13.631 13.135 4.438 99 1HE LYS 14 2HE LYS 14 11.934 12.423 5.692 100 2HE LYS 14 3HE LYS 14 11.452 11.239 4.479 101 1HZ LYS 14 1HZ LYS 14 12.015 10.123 6.509 102 2HZ LYS 14 2HZ LYS 14 13.528 10.877 6.570 103 3HZ LYS 14 3HZ LYS 14 13.191 9.755 5.349 104 H GLY 15 H GLY 15 13.497 15.734 0.321 105 1HA GLY 15 2HA GLY 15 10.821 16.533 0.568 106 2HA GLY 15 3HA GLY 15 12.121 17.527 -0.073 107 H GLU 16 H GLU 16 12.810 16.088 -2.340 108 HA GLU 16 HA GLU 16 10.888 16.994 -4.182 109 1HB GLU 16 2HB GLU 16 13.503 15.913 -4.278 110 2HB GLU 16 3HB GLU 16 12.507 14.933 -5.345 111 1HG GLU 16 2HG GLU 16 12.694 17.933 -5.464 112 2HG GLU 16 3HG GLU 16 13.619 16.826 -6.477 113 H LEU 17 H LEU 17 11.814 13.641 -3.384 114 HA LEU 17 HA LEU 17 9.781 12.398 -4.845 115 1HB LEU 17 2HB LEU 17 10.466 10.432 -3.885 116 2HB LEU 17 3HB LEU 17 11.898 11.438 -3.680 117 HG LEU 17 HG LEU 17 10.778 11.916 -1.326 118 1HD1 LEU 17 1HD1 LEU 17 10.027 9.239 -0.976 119 2HD1 LEU 17 2HD1 LEU 17 9.171 9.802 -2.411 120 3HD1 LEU 17 3HD1 LEU 17 8.999 10.670 -0.885 121 1HD2 LEU 17 1HD2 LEU 17 12.999 10.813 -1.953 122 2HD2 LEU 17 2HD2 LEU 17 12.151 9.280 -1.750 123 3HD2 LEU 17 3HD2 LEU 17 12.292 10.396 -0.391 124 H GLU 18 H GLU 18 9.790 13.804 -1.647 125 HA GLU 18 HA GLU 18 7.397 12.629 -0.704 126 1HB GLU 18 2HB GLU 18 8.958 13.655 0.836 127 2HB GLU 18 3HB GLU 18 8.760 15.217 0.053 128 1HG GLU 18 2HG GLU 18 6.691 15.577 0.978 129 2HG GLU 18 3HG GLU 18 6.376 13.858 1.208 130 H ARG 19 H ARG 19 8.053 15.777 -2.225 131 HA ARG 19 HA ARG 19 5.409 16.714 -2.207 132 1HB ARG 19 2HB ARG 19 7.201 18.253 -2.609 133 2HB ARG 19 3HB ARG 19 7.738 17.348 -4.018 134 1HG ARG 19 2HG ARG 19 5.621 17.929 -5.152 135 2HG ARG 19 3HG ARG 19 5.183 18.917 -3.757 136 1HD ARG 19 2HD ARG 19 6.319 20.616 -4.621 137 2HD ARG 19 3HD ARG 19 7.798 19.661 -4.529 138 HE ARG 19 HE ARG 19 7.657 19.268 -6.789 139 1HH1 ARG 19 1HH1 ARG 19 4.669 20.644 -5.650 140 2HH1 ARG 19 2HH1 ARG 19 4.032 20.906 -7.239 141 1HH2 ARG 19 1HH2 ARG 19 6.829 19.608 -8.887 142 2HH2 ARG 19 2HH2 ARG 19 5.261 20.315 -9.080 143 H ALA 20 H ALA 20 7.221 14.908 -4.662 144 HA ALA 20 HA ALA 20 5.213 14.894 -6.633 145 1HB ALA 20 1HB ALA 20 7.788 14.093 -6.567 146 2HB ALA 20 2HB ALA 20 6.967 12.533 -6.508 147 3HB ALA 20 3HB ALA 20 6.650 13.647 -7.838 148 H PHE 21 H PHE 21 6.197 12.200 -4.504 149 HA PHE 21 HA PHE 21 4.123 10.476 -5.076 150 1HB PHE 21 2HB PHE 21 5.922 10.858 -2.735 151 2HB PHE 21 3HB PHE 21 4.520 9.816 -2.520 152 HD1 PHE 21 HD1 PHE 21 7.253 10.372 -5.000 153 HD2 PHE 21 HD2 PHE 21 4.806 7.580 -2.918 154 HE1 PHE 21 HE1 PHE 21 8.476 8.517 -6.057 155 HE2 PHE 21 HE2 PHE 21 6.026 5.720 -3.971 156 HZ PHE 21 HZ PHE 21 7.864 6.187 -5.542 157 H SER 22 H SER 22 4.262 12.792 -2.370 158 HA SER 22 HA SER 22 1.743 12.345 -1.319 159 1HB SER 22 2HB SER 22 3.270 13.726 -0.106 160 2HB SER 22 3HB SER 22 3.395 14.873 -1.440 161 HG SER 22 HG SER 22 1.773 15.033 0.576 162 H TYR 23 H TYR 23 2.698 14.559 -3.917 163 HA TYR 23 HA TYR 23 0.249 15.813 -4.331 164 1HB TYR 23 2HB TYR 23 2.710 15.392 -5.895 165 2HB TYR 23 3HB TYR 23 1.268 15.692 -6.859 166 HD1 TYR 23 HD1 TYR 23 1.491 17.867 -7.653 167 HD2 TYR 23 HD2 TYR 23 2.256 17.080 -3.542 168 HE1 TYR 23 HE1 TYR 23 1.713 20.281 -7.238 169 HE2 TYR 23 HE2 TYR 23 2.479 19.492 -3.116 170 HH TYR 23 HH TYR 23 1.580 21.656 -4.269 171 H TYR 24 H TYR 24 1.531 12.844 -5.802 172 HA TYR 24 HA TYR 24 -0.785 12.352 -7.383 173 1HB TYR 24 2HB TYR 24 1.620 10.730 -6.610 174 2HB TYR 24 3HB TYR 24 0.269 9.972 -7.446 175 HD1 TYR 24 HD1 TYR 24 0.556 9.740 -9.714 176 HD2 TYR 24 HD2 TYR 24 2.249 13.133 -7.783 177 HE1 TYR 24 HE1 TYR 24 1.452 10.513 -11.871 178 HE2 TYR 24 HE2 TYR 24 3.149 13.915 -9.934 179 HH TYR 24 HH TYR 24 3.817 12.681 -12.207 180 H GLY 25 H GLY 25 0.165 11.566 -4.126 181 1HA GLY 25 2HA GLY 25 -2.332 11.070 -3.126 182 2HA GLY 25 3HA GLY 25 -1.802 9.511 -3.740 183 HA PRO 26 HA PRO 26 -0.072 10.566 0.594 184 1HB PRO 26 2HB PRO 26 -1.840 9.185 2.124 185 2HB PRO 26 3HB PRO 26 -2.053 10.891 1.712 186 1HG PRO 26 2HG PRO 26 -3.303 8.470 0.470 187 2HG PRO 26 3HG PRO 26 -4.049 10.022 0.893 188 1HD PRO 26 2HD PRO 26 -3.308 9.404 -1.637 189 2HD PRO 26 3HD PRO 26 -3.260 11.063 -1.006 190 H LEU 27 H LEU 27 1.670 9.275 0.584 191 HA LEU 27 HA LEU 27 1.429 6.436 0.056 192 1HB LEU 27 2HB LEU 27 3.885 6.438 0.223 193 2HB LEU 27 3HB LEU 27 3.271 7.601 -0.950 194 HG LEU 27 HG LEU 27 3.542 9.309 0.993 195 1HD1 LEU 27 1HD1 LEU 27 4.037 7.945 2.828 196 2HD1 LEU 27 2HD1 LEU 27 5.589 8.642 2.365 197 3HD1 LEU 27 3HD1 LEU 27 5.199 6.983 1.914 198 1HD2 LEU 27 1HD2 LEU 27 4.994 9.926 -0.584 199 2HD2 LEU 27 2HD2 LEU 27 5.381 8.256 -1.001 200 3HD2 LEU 27 3HD2 LEU 27 6.205 9.043 0.346 201 H ARG 28 H ARG 28 2.604 4.880 1.488 202 HA ARG 28 HA ARG 28 1.560 5.019 4.117 203 1HB ARG 28 2HB ARG 28 2.660 3.039 2.460 204 2HB ARG 28 3HB ARG 28 3.708 3.102 3.871 205 1HG ARG 28 2HG ARG 28 0.791 3.063 4.362 206 2HG ARG 28 3HG ARG 28 1.532 1.580 3.757 207 1HD ARG 28 2HD ARG 28 1.571 1.451 6.126 208 2HD ARG 28 3HD ARG 28 3.220 1.795 5.606 209 HE ARG 28 HE ARG 28 1.909 4.216 6.155 210 1HH1 ARG 28 1HH1 ARG 28 3.145 1.405 7.795 211 2HH1 ARG 28 2HH1 ARG 28 3.466 2.248 9.274 212 1HH2 ARG 28 1HH2 ARG 28 2.327 5.337 8.097 213 2HH2 ARG 28 2HH2 ARG 28 2.999 4.484 9.445 214 H THR 29 H THR 29 4.920 5.081 2.925 215 HA THR 29 HA THR 29 5.703 7.032 4.856 216 HB THR 29 HB THR 29 7.549 5.238 5.679 217 HG1 THR 29 HG1 THR 29 5.131 3.745 5.627 218 1HG2 THR 29 1HG2 THR 29 5.557 6.713 6.832 219 2HG2 THR 29 2HG2 THR 29 6.686 5.680 7.709 220 3HG2 THR 29 3HG2 THR 29 5.091 5.070 7.267 221 H VAL 30 H VAL 30 7.844 7.787 4.541 222 HA VAL 30 HA VAL 30 9.036 6.898 1.997 223 HB VAL 30 HB VAL 30 8.270 9.175 1.830 224 1HG1 VAL 30 1HG1 VAL 30 8.070 9.998 3.985 225 2HG1 VAL 30 2HG1 VAL 30 9.704 9.506 4.435 226 3HG1 VAL 30 3HG1 VAL 30 9.461 10.889 3.368 227 1HG2 VAL 30 1HG2 VAL 30 10.547 8.454 0.912 228 2HG2 VAL 30 2HG2 VAL 30 10.225 10.184 1.025 229 3HG2 VAL 30 3HG2 VAL 30 11.237 9.394 2.235 230 H TRP 31 H TRP 31 11.255 6.615 1.847 231 HA TRP 31 HA TRP 31 12.862 6.943 4.263 232 1HB TRP 31 2HB TRP 31 11.794 4.552 3.987 233 2HB TRP 31 3HB TRP 31 13.084 4.338 2.806 234 HD1 TRP 31 HD1 TRP 31 12.560 4.959 6.567 235 HE1 TRP 31 HE1 TRP 31 14.691 4.229 7.812 236 HE3 TRP 31 HE3 TRP 31 15.543 3.939 2.541 237 HZ2 TRP 31 HZ2 TRP 31 17.293 3.340 7.172 238 HZ3 TRP 31 HZ3 TRP 31 17.839 3.154 2.944 239 HH2 TRP 31 HH2 TRP 31 18.695 2.862 5.212 240 H ILE 32 H ILE 32 15.010 7.331 3.879 241 HA ILE 32 HA ILE 32 15.823 7.423 1.047 242 HB ILE 32 HB ILE 32 16.613 9.286 3.288 243 1HG1 ILE 32 2HG1 ILE 32 14.358 9.628 2.247 244 2HG1 ILE 32 3HG1 ILE 32 15.456 10.989 2.043 245 1HG2 ILE 32 1HG2 ILE 32 17.684 8.930 0.515 246 2HG2 ILE 32 2HG2 ILE 32 17.750 10.500 1.314 247 3HG2 ILE 32 3HG2 ILE 32 18.561 9.109 2.034 248 1HD1 ILE 32 1HD1 ILE 32 15.821 9.321 -0.188 249 2HD1 ILE 32 2HD1 ILE 32 14.082 9.473 0.063 250 3HD1 ILE 32 3HD1 ILE 32 15.074 10.917 -0.129 251 H ALA 33 H ALA 33 17.854 6.711 0.496 252 HA ALA 33 HA ALA 33 19.283 5.227 2.596 253 1HB ALA 33 1HB ALA 33 18.326 4.133 0.423 254 2HB ALA 33 2HB ALA 33 19.792 4.786 -0.310 255 3HB ALA 33 3HB ALA 33 19.908 3.655 1.039 256 H ARG 34 H ARG 34 20.839 6.496 3.415 257 HA ARG 34 HA ARG 34 22.257 8.417 1.816 258 1HB ARG 34 2HB ARG 34 23.446 8.965 3.846 259 2HB ARG 34 3HB ARG 34 21.735 8.790 4.213 260 1HG ARG 34 2HG ARG 34 22.487 6.312 4.766 261 2HG ARG 34 3HG ARG 34 24.036 7.114 5.034 262 1HD ARG 34 2HD ARG 34 21.746 8.494 6.228 263 2HD ARG 34 3HD ARG 34 22.034 6.882 6.881 264 HE ARG 34 HE ARG 34 23.679 9.217 7.230 265 1HH1 ARG 34 1HH1 ARG 34 23.585 5.737 7.265 266 2HH1 ARG 34 2HH1 ARG 34 24.956 5.581 8.313 267 1HH2 ARG 34 1HH2 ARG 34 25.485 9.024 8.609 268 2HH2 ARG 34 2HH2 ARG 34 26.036 7.451 9.078 269 H ASN 35 H ASN 35 22.787 5.158 2.927 270 HA ASN 35 HA ASN 35 25.502 4.851 2.779 271 1HB ASN 35 2HB ASN 35 23.179 3.101 2.437 272 2HB ASN 35 3HB ASN 35 24.602 2.545 1.561 273 1HD2 ASN 35 1HD2 ASN 35 25.396 0.942 2.733 274 2HD2 ASN 35 2HD2 ASN 35 25.767 1.016 4.419 275 HA PRO 36 HA PRO 36 25.298 4.091 -1.984 276 1HB PRO 36 2HB PRO 36 22.951 4.625 -3.239 277 2HB PRO 36 3HB PRO 36 23.337 3.041 -2.555 278 1HG PRO 36 2HG PRO 36 21.669 5.245 -1.406 279 2HG PRO 36 3HG PRO 36 21.357 3.499 -1.425 280 1HD PRO 36 2HD PRO 36 22.327 4.782 0.753 281 2HD PRO 36 3HD PRO 36 22.753 3.103 0.365 282 HA PRO 37 HA PRO 37 25.956 8.237 -3.292 283 1HB PRO 37 2HB PRO 37 25.697 8.092 -5.991 284 2HB PRO 37 3HB PRO 37 27.074 7.406 -5.120 285 1HG PRO 37 2HG PRO 37 24.622 6.041 -6.163 286 2HG PRO 37 3HG PRO 37 26.312 5.511 -6.231 287 1HD PRO 37 2HD PRO 37 24.557 4.550 -4.407 288 2HD PRO 37 3HD PRO 37 26.289 4.734 -4.061 289 H GLY 38 H GLY 38 23.033 6.710 -4.550 290 1HA GLY 38 2HA GLY 38 21.421 8.959 -3.894 291 2HA GLY 38 3HA GLY 38 21.725 8.904 -5.625 292 H PHE 39 H PHE 39 20.384 7.096 -2.906 293 HA PHE 39 HA PHE 39 18.376 5.978 -4.693 294 1HB PHE 39 2HB PHE 39 20.425 4.367 -3.224 295 2HB PHE 39 3HB PHE 39 18.802 3.712 -3.414 296 HD1 PHE 39 HD1 PHE 39 17.857 3.783 -5.860 297 HD2 PHE 39 HD2 PHE 39 21.990 3.957 -4.855 298 HE1 PHE 39 HE1 PHE 39 18.436 3.006 -8.121 299 HE2 PHE 39 HE2 PHE 39 22.575 3.181 -7.116 300 HZ PHE 39 HZ PHE 39 20.797 2.705 -8.752 301 H ALA 40 H ALA 40 16.433 5.578 -3.709 302 HA ALA 40 HA ALA 40 16.259 5.723 -0.798 303 1HB ALA 40 1HB ALA 40 16.005 8.043 -1.930 304 2HB ALA 40 2HB ALA 40 14.407 7.451 -2.387 305 3HB ALA 40 3HB ALA 40 14.854 7.557 -0.684 306 H PHE 41 H PHE 41 14.260 4.942 0.056 307 HA PHE 41 HA PHE 41 12.676 3.375 -1.872 308 1HB PHE 41 2HB PHE 41 14.049 1.840 -0.617 309 2HB PHE 41 3HB PHE 41 13.581 2.593 0.904 310 HD1 PHE 41 HD1 PHE 41 12.635 0.262 -1.713 311 HD2 PHE 41 HD2 PHE 41 11.336 2.248 1.820 312 HE1 PHE 41 HE1 PHE 41 10.773 -1.333 -1.505 313 HE2 PHE 41 HE2 PHE 41 9.473 0.655 2.035 314 HZ PHE 41 HZ PHE 41 9.190 -1.139 0.372 315 H VAL 42 H VAL 42 10.466 3.225 -1.522 316 HA VAL 42 HA VAL 42 9.343 4.758 0.712 317 HB VAL 42 HB VAL 42 8.593 5.144 -2.188 318 1HG1 VAL 42 1HG1 VAL 42 6.933 6.764 -1.330 319 2HG1 VAL 42 2HG1 VAL 42 6.581 5.102 -0.852 320 3HG1 VAL 42 3HG1 VAL 42 7.291 6.223 0.310 321 1HG2 VAL 42 1HG2 VAL 42 10.632 6.327 -1.149 322 2HG2 VAL 42 2HG2 VAL 42 9.450 7.304 -2.020 323 3HG2 VAL 42 3HG2 VAL 42 9.441 7.274 -0.257 324 H GLU 43 H GLU 43 7.326 4.081 1.413 325 HA GLU 43 HA GLU 43 6.388 1.547 0.241 326 1HB GLU 43 2HB GLU 43 7.279 1.505 2.606 327 2HB GLU 43 3HB GLU 43 5.910 2.510 3.061 328 1HG GLU 43 2HG GLU 43 4.402 0.819 2.818 329 2HG GLU 43 3HG GLU 43 5.367 -0.016 1.602 330 H PHE 44 H PHE 44 4.448 1.529 -0.673 331 HA PHE 44 HA PHE 44 2.648 3.799 -0.173 332 1HB PHE 44 2HB PHE 44 3.495 2.475 -2.564 333 2HB PHE 44 3HB PHE 44 1.756 2.267 -2.392 334 HD1 PHE 44 HD1 PHE 44 3.963 4.143 -4.058 335 HD2 PHE 44 HD2 PHE 44 0.764 4.683 -1.303 336 HE1 PHE 44 HE1 PHE 44 3.612 6.422 -4.917 337 HE2 PHE 44 HE2 PHE 44 0.408 6.962 -2.158 338 HZ PHE 44 HZ PHE 44 1.832 7.834 -3.968 339 H GLU 45 H GLU 45 0.939 3.438 1.063 340 HA GLU 45 HA GLU 45 0.214 1.044 2.204 341 1HB GLU 45 2HB GLU 45 -0.602 3.546 2.577 342 2HB GLU 45 3HB GLU 45 -1.958 2.994 1.605 343 1HG GLU 45 2HG GLU 45 -2.186 1.081 3.233 344 2HG GLU 45 3HG GLU 45 -1.035 1.936 4.257 345 H ASP 46 H ASP 46 -0.766 2.378 -0.885 346 HA ASP 46 HA ASP 46 -2.154 -0.154 -1.466 347 1HB ASP 46 2HB ASP 46 -3.220 2.516 -1.508 348 2HB ASP 46 3HB ASP 46 -3.242 1.848 -3.137 349 HA PRO 47 HA PRO 47 0.501 -0.521 -4.945 350 1HB PRO 47 2HB PRO 47 -1.074 -1.986 -6.601 351 2HB PRO 47 3HB PRO 47 -0.303 -2.662 -5.161 352 1HG PRO 47 2HG PRO 47 -3.116 -1.708 -5.533 353 2HG PRO 47 3HG PRO 47 -2.527 -3.160 -4.702 354 1HD PRO 47 2HD PRO 47 -3.263 -0.918 -3.373 355 2HD PRO 47 3HD PRO 47 -1.978 -1.996 -2.790 356 H ARG 48 H ARG 48 -2.875 0.263 -5.785 357 HA ARG 48 HA ARG 48 -2.512 1.264 -8.320 358 1HB ARG 48 2HB ARG 48 -4.725 1.003 -7.426 359 2HB ARG 48 3HB ARG 48 -4.407 2.173 -6.153 360 1HG ARG 48 2HG ARG 48 -4.287 3.960 -7.780 361 2HG ARG 48 3HG ARG 48 -4.506 2.804 -9.095 362 1HD ARG 48 2HD ARG 48 -6.591 3.970 -8.558 363 2HD ARG 48 3HD ARG 48 -6.716 2.238 -8.253 364 HE ARG 48 HE ARG 48 -5.976 3.340 -5.853 365 1HH1 ARG 48 1HH1 ARG 48 -8.616 3.750 -8.086 366 2HH1 ARG 48 2HH1 ARG 48 -9.756 4.194 -6.859 367 1HH2 ARG 48 1HH2 ARG 48 -7.468 3.924 -4.229 368 2HH2 ARG 48 2HH2 ARG 48 -9.102 4.294 -4.666 369 H ASP 49 H ASP 49 -2.229 3.028 -5.248 370 HA ASP 49 HA ASP 49 -1.657 5.547 -6.322 371 1HB ASP 49 2HB ASP 49 -0.545 4.475 -3.726 372 2HB ASP 49 3HB ASP 49 -0.884 6.154 -4.140 373 H ALA 50 H ALA 50 0.414 2.789 -5.656 374 HA ALA 50 HA ALA 50 2.870 4.180 -6.115 375 1HB ALA 50 1HB ALA 50 3.355 1.475 -6.546 376 2HB ALA 50 2HB ALA 50 3.567 2.364 -5.037 377 3HB ALA 50 3HB ALA 50 2.054 1.516 -5.355 378 H GLU 51 H GLU 51 0.743 2.146 -8.073 379 HA GLU 51 HA GLU 51 2.398 1.905 -10.324 380 1HB GLU 51 2HB GLU 51 -0.267 1.211 -9.610 381 2HB GLU 51 3HB GLU 51 -0.329 2.046 -11.156 382 1HG GLU 51 2HG GLU 51 0.743 0.390 -12.254 383 2HG GLU 51 3HG GLU 51 1.747 -0.031 -10.867 384 H ASP 52 H ASP 52 -0.078 4.312 -9.513 385 HA ASP 52 HA ASP 52 0.252 5.792 -11.932 386 1HB ASP 52 2HB ASP 52 -1.783 5.745 -10.342 387 2HB ASP 52 3HB ASP 52 -0.887 6.923 -9.387 388 H ALA 53 H ALA 53 1.424 6.175 -8.611 389 HA ALA 53 HA ALA 53 2.708 8.643 -8.939 390 1HB ALA 53 1HB ALA 53 4.190 7.698 -7.015 391 2HB ALA 53 2HB ALA 53 2.480 8.026 -6.731 392 3HB ALA 53 3HB ALA 53 3.025 6.374 -7.025 393 H VAL 54 H VAL 54 3.988 5.337 -9.242 394 HA VAL 54 HA VAL 54 6.616 6.126 -9.942 395 HB VAL 54 HB VAL 54 5.171 3.531 -10.493 396 1HG1 VAL 54 1HG1 VAL 54 7.949 3.133 -10.310 397 2HG1 VAL 54 2HG1 VAL 54 6.919 2.941 -11.729 398 3HG1 VAL 54 3HG1 VAL 54 7.707 4.487 -11.414 399 1HG2 VAL 54 1HG2 VAL 54 5.906 4.604 -8.077 400 2HG2 VAL 54 2HG2 VAL 54 5.655 2.890 -8.404 401 3HG2 VAL 54 3HG2 VAL 54 7.279 3.573 -8.477 402 H ARG 55 H ARG 55 3.953 4.854 -11.948 403 HA ARG 55 HA ARG 55 5.159 5.038 -14.422 404 1HB ARG 55 2HB ARG 55 2.291 5.329 -13.564 405 2HB ARG 55 3HB ARG 55 2.752 5.456 -15.256 406 1HG ARG 55 2HG ARG 55 3.539 3.222 -15.302 407 2HG ARG 55 3HG ARG 55 3.435 3.081 -13.546 408 1HD ARG 55 2HD ARG 55 1.531 1.970 -14.247 409 2HD ARG 55 3HD ARG 55 0.920 3.588 -13.904 410 HE ARG 55 HE ARG 55 1.672 3.455 -16.603 411 1HH1 ARG 55 1HH1 ARG 55 -0.738 2.189 -14.432 412 2HH1 ARG 55 2HH1 ARG 55 -1.945 2.019 -15.663 413 1HH2 ARG 55 1HH2 ARG 55 0.091 3.235 -18.232 414 2HH2 ARG 55 2HH2 ARG 55 -1.472 2.613 -17.825 415 H GLY 56 H GLY 56 3.572 7.564 -12.539 416 1HA GLY 56 2HA GLY 56 3.694 9.533 -14.615 417 2HA GLY 56 3HA GLY 56 3.339 9.828 -12.919 418 H LEU 57 H LEU 57 5.511 9.161 -11.567 419 HA LEU 57 HA LEU 57 7.279 11.274 -11.962 420 1HB LEU 57 2HB LEU 57 7.229 8.829 -10.310 421 2HB LEU 57 3HB LEU 57 8.813 9.558 -10.564 422 HG LEU 57 HG LEU 57 8.090 11.613 -9.543 423 1HD1 LEU 57 1HD1 LEU 57 5.434 10.459 -9.976 424 2HD1 LEU 57 2HD1 LEU 57 5.941 12.145 -9.882 425 3HD1 LEU 57 3HD1 LEU 57 5.650 11.229 -8.404 426 1HD2 LEU 57 1HD2 LEU 57 8.571 10.733 -7.566 427 2HD2 LEU 57 2HD2 LEU 57 8.240 9.127 -8.216 428 3HD2 LEU 57 3HD2 LEU 57 6.949 10.051 -7.445 429 H ASP 58 H ASP 58 7.806 7.816 -12.654 430 HA ASP 58 HA ASP 58 10.302 8.234 -13.943 431 1HB ASP 58 2HB ASP 58 9.887 6.073 -13.025 432 2HB ASP 58 3HB ASP 58 8.378 5.909 -13.919 433 H GLY 59 H GLY 59 6.981 7.891 -15.101 434 1HA GLY 59 2HA GLY 59 7.635 7.832 -17.865 435 2HA GLY 59 3HA GLY 59 6.054 8.187 -17.184 436 H LYS 60 H LYS 60 7.571 10.372 -15.584 437 HA LYS 60 HA LYS 60 8.342 12.286 -17.569 438 1HB LYS 60 2HB LYS 60 5.565 12.113 -16.823 439 2HB LYS 60 3HB LYS 60 6.228 13.659 -16.309 440 1HG LYS 60 2HG LYS 60 6.450 12.563 -19.104 441 2HG LYS 60 3HG LYS 60 5.207 13.696 -18.566 442 1HD LYS 60 2HD LYS 60 6.596 15.392 -18.932 443 2HD LYS 60 3HD LYS 60 7.732 14.717 -17.761 444 1HE LYS 60 2HE LYS 60 9.063 14.744 -19.615 445 2HE LYS 60 3HE LYS 60 8.342 13.145 -19.793 446 1HZ LYS 60 1HZ LYS 60 8.322 15.110 -21.665 447 2HZ LYS 60 2HZ LYS 60 6.773 15.221 -20.996 448 3HZ LYS 60 3HZ LYS 60 7.308 13.756 -21.651 449 H VAL 61 H VAL 61 9.826 13.536 -16.652 450 HA VAL 61 HA VAL 61 10.675 13.401 -14.053 451 HB VAL 61 HB VAL 61 11.945 15.386 -14.407 452 1HG1 VAL 61 1HG1 VAL 61 13.019 14.931 -16.511 453 2HG1 VAL 61 2HG1 VAL 61 12.530 13.401 -15.779 454 3HG1 VAL 61 3HG1 VAL 61 11.589 14.087 -17.105 455 1HG2 VAL 61 1HG2 VAL 61 11.339 16.649 -16.671 456 2HG2 VAL 61 2HG2 VAL 61 9.725 16.078 -16.248 457 3HG2 VAL 61 3HG2 VAL 61 10.624 17.095 -15.122 458 H ILE 62 H ILE 62 10.478 14.763 -12.222 459 HA ILE 62 HA ILE 62 7.934 16.249 -12.118 460 HB ILE 62 HB ILE 62 7.746 14.323 -10.713 461 1HG1 ILE 62 2HG1 ILE 62 7.285 16.832 -9.844 462 2HG1 ILE 62 3HG1 ILE 62 6.911 15.400 -8.891 463 1HG2 ILE 62 1HG2 ILE 62 10.053 13.717 -10.462 464 2HG2 ILE 62 2HG2 ILE 62 10.383 15.179 -9.533 465 3HG2 ILE 62 3HG2 ILE 62 9.352 13.918 -8.856 466 1HD1 ILE 62 1HD1 ILE 62 8.783 15.677 -7.531 467 2HD1 ILE 62 2HD1 ILE 62 9.557 16.782 -8.668 468 3HD1 ILE 62 3HD1 ILE 62 8.149 17.309 -7.747 469 H CYS 63 H CYS 63 8.083 18.354 -11.740 470 HA CYS 63 HA CYS 63 9.028 20.403 -11.376 471 1HB CYS 63 2HB CYS 63 8.706 19.106 -9.005 472 2HB CYS 63 3HB CYS 63 10.421 19.496 -8.937 473 HG CYS 63 HG CYS 63 7.949 21.807 -9.452 474 H GLY 64 H GLY 64 10.569 18.881 -13.118 475 1HA GLY 64 2HA GLY 64 12.625 19.067 -14.143 476 2HA GLY 64 3HA GLY 64 13.082 20.221 -12.899 477 H SER 65 H SER 65 11.996 16.930 -12.297 478 HA SER 65 HA SER 65 14.737 16.231 -11.476 479 1HB SER 65 2HB SER 65 12.313 15.212 -10.011 480 2HB SER 65 3HB SER 65 13.991 15.254 -9.471 481 HG SER 65 HG SER 65 12.469 17.588 -9.982 482 H ARG 66 H ARG 66 15.333 14.850 -13.044 483 HA ARG 66 HA ARG 66 13.463 12.899 -14.099 484 1HB ARG 66 2HB ARG 66 16.369 12.916 -14.802 485 2HB ARG 66 3HB ARG 66 14.979 12.542 -15.812 486 1HG ARG 66 2HG ARG 66 15.330 14.563 -16.689 487 2HG ARG 66 3HG ARG 66 14.540 15.164 -15.230 488 1HD ARG 66 2HD ARG 66 16.477 15.923 -14.332 489 2HD ARG 66 3HD ARG 66 17.433 14.611 -15.020 490 HE ARG 66 HE ARG 66 16.513 16.426 -17.018 491 1HH1 ARG 66 1HH1 ARG 66 18.928 15.958 -14.555 492 2HH1 ARG 66 2HH1 ARG 66 20.094 16.987 -15.319 493 1HH2 ARG 66 1HH2 ARG 66 18.040 17.783 -18.034 494 2HH2 ARG 66 2HH2 ARG 66 19.587 18.025 -17.297 495 H VAL 67 H VAL 67 13.818 12.449 -11.432 496 HA VAL 67 HA VAL 67 15.886 10.696 -10.718 497 HB VAL 67 HB VAL 67 14.320 9.920 -8.913 498 1HG1 VAL 67 1HG1 VAL 67 14.890 12.827 -9.376 499 2HG1 VAL 67 2HG1 VAL 67 14.107 12.268 -7.897 500 3HG1 VAL 67 3HG1 VAL 67 15.721 11.690 -8.315 501 1HG2 VAL 67 1HG2 VAL 67 12.367 10.858 -10.662 502 2HG2 VAL 67 2HG2 VAL 67 12.127 10.293 -9.009 503 3HG2 VAL 67 3HG2 VAL 67 12.372 12.010 -9.326 504 H ARG 68 H ARG 68 15.270 8.365 -9.918 505 HA ARG 68 HA ARG 68 13.888 6.991 -12.129 506 1HB ARG 68 2HB ARG 68 16.368 6.727 -12.185 507 2HB ARG 68 3HB ARG 68 16.286 5.968 -10.601 508 1HG ARG 68 2HG ARG 68 15.613 4.008 -11.439 509 2HG ARG 68 3HG ARG 68 14.515 4.767 -12.594 510 1HD ARG 68 2HD ARG 68 17.509 4.698 -12.922 511 2HD ARG 68 3HD ARG 68 16.421 3.495 -13.614 512 HE ARG 68 HE ARG 68 15.532 6.019 -14.406 513 1HH1 ARG 68 1HH1 ARG 68 18.272 3.923 -14.878 514 2HH1 ARG 68 2HH1 ARG 68 18.632 4.534 -16.458 515 1HH2 ARG 68 1HH2 ARG 68 15.997 6.831 -16.486 516 2HH2 ARG 68 2HH2 ARG 68 17.338 6.189 -17.372 517 H VAL 69 H VAL 69 11.987 6.391 -11.276 518 HA VAL 69 HA VAL 69 12.008 5.065 -8.644 519 HB VAL 69 HB VAL 69 10.628 6.990 -8.485 520 1HG1 VAL 69 1HG1 VAL 69 10.340 7.512 -10.816 521 2HG1 VAL 69 2HG1 VAL 69 9.343 6.076 -11.055 522 3HG1 VAL 69 3HG1 VAL 69 8.753 7.404 -10.055 523 1HG2 VAL 69 1HG2 VAL 69 8.410 5.137 -9.000 524 2HG2 VAL 69 2HG2 VAL 69 9.693 4.489 -7.978 525 3HG2 VAL 69 3HG2 VAL 69 8.867 5.978 -7.519 526 H GLU 70 H GLU 70 11.315 3.013 -8.486 527 HA GLU 70 HA GLU 70 9.740 1.837 -10.642 528 1HB GLU 70 2HB GLU 70 12.567 1.332 -10.225 529 2HB GLU 70 3HB GLU 70 11.623 -0.144 -10.076 530 1HG GLU 70 2HG GLU 70 11.002 -0.140 -12.261 531 2HG GLU 70 3HG GLU 70 11.062 1.617 -12.391 532 H LEU 71 H LEU 71 9.015 -0.403 -10.068 533 HA LEU 71 HA LEU 71 8.557 -0.580 -7.164 534 1HB LEU 71 2HB LEU 71 6.616 -2.134 -8.193 535 2HB LEU 71 3HB LEU 71 6.424 -0.419 -7.839 536 HG LEU 71 HG LEU 71 6.982 0.052 -10.234 537 1HD1 LEU 71 1HD1 LEU 71 6.430 -2.116 -11.654 538 2HD1 LEU 71 2HD1 LEU 71 7.148 -2.909 -10.252 539 3HD1 LEU 71 3HD1 LEU 71 8.075 -1.714 -11.159 540 1HD2 LEU 71 1HD2 LEU 71 4.723 0.221 -9.778 541 2HD2 LEU 71 2HD2 LEU 71 4.567 -1.491 -9.381 542 3HD2 LEU 71 3HD2 LEU 71 4.750 -0.988 -11.062 543 H SER 72 H SER 72 9.394 -2.267 -6.138 544 HA SER 72 HA SER 72 10.804 -4.307 -7.559 545 1HB SER 72 2HB SER 72 11.795 -3.712 -5.514 546 2HB SER 72 3HB SER 72 10.260 -3.768 -4.649 547 HG SER 72 HG SER 72 12.004 -5.647 -4.697 548 H THR 73 H THR 73 7.733 -4.102 -5.865 549 HA THR 73 HA THR 73 6.893 -6.589 -7.124 550 HB THR 73 HB THR 73 6.068 -6.490 -4.309 551 HG1 THR 73 HG1 THR 73 8.744 -7.266 -4.852 552 1HG2 THR 73 1HG2 THR 73 6.252 -8.361 -6.383 553 2HG2 THR 73 2HG2 THR 73 5.742 -8.658 -4.721 554 3HG2 THR 73 3HG2 THR 73 7.431 -8.878 -5.178 555 H GLY 74 H GLY 74 4.505 -7.005 -6.638 556 1HA GLY 74 2HA GLY 74 2.343 -6.162 -6.161 557 2HA GLY 74 3HA GLY 74 3.018 -4.541 -6.088 558 H MET 75 H MET 75 3.864 -6.633 -8.721 559 HA MET 75 HA MET 75 1.989 -5.193 -10.473 560 1HB MET 75 2HB MET 75 4.297 -4.265 -10.642 561 2HB MET 75 3HB MET 75 4.858 -5.849 -11.158 562 1HG MET 75 2HG MET 75 3.061 -5.602 -13.008 563 2HG MET 75 3HG MET 75 3.141 -3.888 -12.608 564 1HE MET 75 1HE MET 75 3.974 -3.657 -15.441 565 2HE MET 75 2HE MET 75 4.184 -2.530 -14.101 566 3HE MET 75 3HE MET 75 5.537 -2.885 -15.175 567 HA PRO 76 HA PRO 76 1.406 -9.702 -11.106 568 1HB PRO 76 2HB PRO 76 -1.256 -9.498 -11.598 569 2HB PRO 76 3HB PRO 76 -0.586 -9.594 -9.966 570 1HG PRO 76 2HG PRO 76 -1.488 -7.190 -11.505 571 2HG PRO 76 3HG PRO 76 -1.768 -7.598 -9.802 572 1HD PRO 76 2HD PRO 76 0.137 -5.840 -10.585 573 2HD PRO 76 3HD PRO 76 0.323 -6.875 -9.155 574 H ARG 77 H ARG 77 2.057 -10.394 -13.040 575 HA ARG 77 HA ARG 77 0.771 -9.276 -15.438 576 1HB ARG 77 2HB ARG 77 3.470 -8.959 -14.730 577 2HB ARG 77 3HB ARG 77 3.454 -10.186 -15.990 578 1HG ARG 77 2HG ARG 77 1.857 -8.445 -17.170 579 2HG ARG 77 3HG ARG 77 2.719 -7.317 -16.122 580 1HD ARG 77 2HD ARG 77 4.472 -7.348 -17.484 581 2HD ARG 77 3HD ARG 77 4.601 -9.098 -17.315 582 HE ARG 77 HE ARG 77 2.562 -8.629 -19.125 583 1HH1 ARG 77 1HH1 ARG 77 5.979 -8.004 -18.887 584 2HH1 ARG 77 2HH1 ARG 77 6.242 -8.066 -20.599 585 1HH2 ARG 77 1HH2 ARG 77 2.895 -8.713 -21.380 586 2HH2 ARG 77 2HH2 ARG 77 4.487 -8.468 -22.016 587 H ARG 78 H ARG 78 1.441 -10.772 -17.404 588 HA ARG 78 HA ARG 78 0.396 -13.374 -16.758 589 1HB ARG 78 2HB ARG 78 0.531 -13.767 -19.200 590 2HB ARG 78 3HB ARG 78 -0.337 -12.292 -18.794 591 1HG ARG 78 2HG ARG 78 1.032 -11.092 -20.050 592 2HG ARG 78 3HG ARG 78 2.434 -11.693 -19.162 593 1HD ARG 78 2HD ARG 78 2.631 -12.199 -21.534 594 2HD ARG 78 3HD ARG 78 2.483 -13.680 -20.588 595 HE ARG 78 HE ARG 78 -0.026 -12.719 -21.594 596 1HH1 ARG 78 1HH1 ARG 78 2.809 -14.599 -22.333 597 2HH1 ARG 78 2HH1 ARG 78 2.019 -15.557 -23.541 598 1HH2 ARG 78 1HH2 ARG 78 -1.078 -13.974 -23.182 599 2HH2 ARG 78 2HH2 ARG 78 -0.192 -15.201 -24.023 600 H SER 79 H SER 79 3.462 -12.031 -16.797 601 HA SER 79 HA SER 79 4.992 -14.173 -17.845 602 1HB SER 79 2HB SER 79 6.391 -12.395 -17.723 603 2HB SER 79 3HB SER 79 5.514 -11.676 -16.373 604 HG SER 79 HG SER 79 7.478 -13.713 -16.299 605 H ARG 80 H ARG 80 6.338 -15.662 -16.675 606 HA ARG 80 HA ARG 80 4.946 -16.831 -14.429 607 1HB ARG 80 2HB ARG 80 7.497 -17.729 -15.780 608 2HB ARG 80 3HB ARG 80 6.520 -18.674 -14.665 609 1HG ARG 80 2HG ARG 80 4.764 -17.892 -16.683 610 2HG ARG 80 3HG ARG 80 6.256 -18.344 -17.509 611 1HD ARG 80 2HD ARG 80 5.170 -20.109 -15.361 612 2HD ARG 80 3HD ARG 80 4.439 -20.146 -16.965 613 HE ARG 80 HE ARG 80 7.214 -20.380 -17.247 614 1HH1 ARG 80 1HH1 ARG 80 4.507 -22.181 -16.003 615 2HH1 ARG 80 2HH1 ARG 80 5.230 -23.726 -16.303 616 1HH2 ARG 80 1HH2 ARG 80 8.176 -22.409 -17.648 617 2HH2 ARG 80 2HH2 ARG 80 7.317 -23.855 -17.238 618 H PHE 81 H PHE 81 5.755 -14.454 -13.549 619 HA PHE 81 HA PHE 81 8.348 -14.331 -12.446 620 1HB PHE 81 2HB PHE 81 5.783 -12.929 -11.685 621 2HB PHE 81 3HB PHE 81 7.342 -12.562 -10.954 622 HD1 PHE 81 HD1 PHE 81 5.203 -11.087 -12.945 623 HD2 PHE 81 HD2 PHE 81 9.157 -12.637 -13.226 624 HE1 PHE 81 HE1 PHE 81 5.684 -9.516 -14.776 625 HE2 PHE 81 HE2 PHE 81 9.645 -11.068 -15.057 626 HZ PHE 81 HZ PHE 81 7.909 -9.504 -15.834 627 H ASP 82 H ASP 82 9.157 -15.666 -10.980 628 HA ASP 82 HA ASP 82 7.640 -17.397 -9.368 629 1HB ASP 82 2HB ASP 82 10.374 -16.985 -9.945 630 2HB ASP 82 3HB ASP 82 10.217 -16.895 -8.193 631 H ARG 83 H ARG 83 8.912 -14.181 -8.813 632 HA ARG 83 HA ARG 83 8.467 -14.151 -6.000 633 1HB ARG 83 2HB ARG 83 9.757 -12.507 -7.804 634 2HB ARG 83 3HB ARG 83 8.362 -11.548 -7.327 635 1HG ARG 83 2HG ARG 83 9.207 -11.126 -5.308 636 2HG ARG 83 3HG ARG 83 9.714 -12.800 -5.072 637 1HD ARG 83 2HD ARG 83 11.196 -10.933 -6.897 638 2HD ARG 83 3HD ARG 83 11.535 -11.006 -5.169 639 HE ARG 83 HE ARG 83 11.614 -13.607 -6.190 640 1HH1 ARG 83 1HH1 ARG 83 13.378 -10.614 -6.425 641 2HH1 ARG 83 2HH1 ARG 83 14.894 -11.383 -6.759 642 1HH2 ARG 83 1HH2 ARG 83 13.605 -14.631 -6.630 643 2HH2 ARG 83 2HH2 ARG 83 15.022 -13.667 -6.877 644 HA PRO 84 HA PRO 84 4.050 -13.705 -6.156 645 1HB PRO 84 2HB PRO 84 3.696 -13.299 -3.495 646 2HB PRO 84 3HB PRO 84 4.022 -14.892 -4.189 647 1HG PRO 84 2HG PRO 84 5.906 -12.984 -2.858 648 2HG PRO 84 3HG PRO 84 5.779 -14.743 -2.673 649 1HD PRO 84 2HD PRO 84 7.664 -13.574 -4.227 650 2HD PRO 84 3HD PRO 84 6.959 -15.158 -4.609 651 HA PRO 85 HA PRO 85 4.162 -9.195 -6.373 652 1HB PRO 85 2HB PRO 85 1.870 -8.986 -7.812 653 2HB PRO 85 3HB PRO 85 3.427 -9.394 -8.541 654 1HG PRO 85 2HG PRO 85 1.174 -11.200 -7.750 655 2HG PRO 85 3HG PRO 85 2.169 -11.229 -9.218 656 1HD PRO 85 2HD PRO 85 2.596 -12.905 -7.135 657 2HD PRO 85 3HD PRO 85 3.913 -12.309 -8.166 658 H ALA 86 H ALA 86 3.157 -7.638 -5.183 659 HA ALA 86 HA ALA 86 1.245 -8.525 -3.198 660 1HB ALA 86 1HB ALA 86 1.516 -5.954 -2.596 661 2HB ALA 86 2HB ALA 86 2.728 -7.156 -2.149 662 3HB ALA 86 3HB ALA 86 2.973 -6.144 -3.572 663 H ARG 87 H ARG 87 -0.795 -8.708 -3.921 664 HA ARG 87 HA ARG 87 -2.265 -6.365 -4.589 665 1HB ARG 87 2HB ARG 87 -3.050 -7.541 -6.834 666 2HB ARG 87 3HB ARG 87 -1.676 -6.444 -6.798 667 1HG ARG 87 2HG ARG 87 -1.275 -8.515 -8.093 668 2HG ARG 87 3HG ARG 87 -0.134 -8.273 -6.769 669 1HD ARG 87 2HD ARG 87 -0.959 -10.024 -5.556 670 2HD ARG 87 3HD ARG 87 -2.584 -9.859 -6.220 671 HE ARG 87 HE ARG 87 -1.061 -10.681 -8.331 672 1HH1 ARG 87 1HH1 ARG 87 -1.700 -11.894 -5.131 673 2HH1 ARG 87 2HH1 ARG 87 -1.497 -13.556 -5.578 674 1HH2 ARG 87 1HH2 ARG 87 -0.791 -12.865 -8.932 675 2HH2 ARG 87 2HH2 ARG 87 -0.979 -14.107 -7.741 676 H ARG 88 H ARG 88 -2.273 -8.651 -2.739 677 HA ARG 88 HA ARG 88 -4.367 -10.436 -3.381 678 1HB ARG 88 2HB ARG 88 -3.026 -9.612 -0.827 679 2HB ARG 88 3HB ARG 88 -4.448 -10.646 -0.785 680 1HG ARG 88 2HG ARG 88 -3.280 -12.256 -2.246 681 2HG ARG 88 3HG ARG 88 -1.842 -11.234 -2.172 682 1HD ARG 88 2HD ARG 88 -2.952 -11.864 0.451 683 2HD ARG 88 3HD ARG 88 -2.449 -13.292 -0.454 684 HE ARG 88 HE ARG 88 -0.751 -11.283 0.693 685 1HH1 ARG 88 1HH1 ARG 88 -1.029 -13.694 -1.804 686 2HH1 ARG 88 2HH1 ARG 88 0.682 -13.917 -1.960 687 1HH2 ARG 88 1HH2 ARG 88 1.503 -11.568 0.497 688 2HH2 ARG 88 2HH2 ARG 88 2.122 -12.708 -0.650 689 H LYS 89 H LYS 89 -6.233 -9.493 -4.054 690 HA LYS 89 HA LYS 89 -7.867 -8.240 -2.026 691 1HB LYS 89 2HB LYS 89 -6.731 -6.291 -2.930 692 2HB LYS 89 3HB LYS 89 -7.148 -6.772 -4.569 693 1HG LYS 89 2HG LYS 89 -9.352 -6.154 -4.336 694 2HG LYS 89 3HG LYS 89 -9.318 -6.303 -2.578 695 1HD LYS 89 2HD LYS 89 -9.384 -3.991 -2.986 696 2HD LYS 89 3HD LYS 89 -7.694 -4.335 -2.612 697 1HE LYS 89 2HE LYS 89 -8.015 -4.681 -5.395 698 2HE LYS 89 3HE LYS 89 -8.823 -3.173 -4.969 699 1HZ LYS 89 1HZ LYS 89 -6.126 -3.722 -3.930 700 2HZ LYS 89 2HZ LYS 89 -6.876 -2.236 -4.227 701 3HZ LYS 89 3HZ LYS 89 -6.310 -3.169 -5.519 702 H LEU 90 H LEU 90 -8.037 -8.193 -5.576 703 HA LEU 90 HA LEU 90 -9.522 -9.090 -7.046 704 1HB LEU 90 2HB LEU 90 -8.734 -11.175 -5.742 705 2HB LEU 90 3HB LEU 90 -10.315 -11.096 -4.967 706 HG LEU 90 HG LEU 90 -10.640 -10.974 -7.811 707 1HD1 LEU 90 1HD1 LEU 90 -8.610 -12.102 -8.159 708 2HD1 LEU 90 2HD1 LEU 90 -9.848 -13.356 -8.209 709 3HD1 LEU 90 3HD1 LEU 90 -8.857 -13.153 -6.764 710 1HD2 LEU 90 1HD2 LEU 90 -11.373 -13.046 -5.745 711 2HD2 LEU 90 2HD2 LEU 90 -12.016 -12.963 -7.386 712 3HD2 LEU 90 3HD2 LEU 90 -12.355 -11.667 -6.238 713 H LEU 91 H LEU 91 -10.765 -7.127 -6.748 714 HA LEU 91 HA LEU 91 -13.478 -7.718 -5.960 715 1HB LEU 91 2HB LEU 91 -11.749 -6.393 -4.155 716 2HB LEU 91 3HB LEU 91 -12.879 -5.191 -4.776 717 HG LEU 91 HG LEU 91 -13.777 -7.802 -3.578 718 1HD1 LEU 91 1HD1 LEU 91 -12.390 -6.000 -2.139 719 2HD1 LEU 91 2HD1 LEU 91 -13.696 -6.985 -1.481 720 3HD1 LEU 91 3HD1 LEU 91 -14.015 -5.329 -1.996 721 1HD2 LEU 91 1HD2 LEU 91 -15.066 -5.489 -4.779 722 2HD2 LEU 91 2HD2 LEU 91 -15.680 -5.851 -3.166 723 3HD2 LEU 91 3HD2 LEU 91 -15.715 -7.090 -4.422 724 H GLU 92 H GLU 92 -11.222 -5.134 -6.901 725 HA GLU 92 HA GLU 92 -13.303 -3.816 -8.445 726 1HB GLU 92 2HB GLU 92 -11.301 -2.770 -7.023 727 2HB GLU 92 3HB GLU 92 -10.470 -2.915 -8.565 728 1HG GLU 92 2HG GLU 92 -11.807 -1.366 -9.594 729 2HG GLU 92 3HG GLU 92 -13.158 -1.642 -8.496 730 H VAL 93 H VAL 93 -10.574 -5.904 -8.924 731 HA VAL 93 HA VAL 93 -10.616 -5.492 -11.817 732 HB VAL 93 HB VAL 93 -8.828 -7.353 -10.255 733 1HG1 VAL 93 1HG1 VAL 93 -8.758 -6.246 -13.051 734 2HG1 VAL 93 2HG1 VAL 93 -7.360 -6.998 -12.280 735 3HG1 VAL 93 3HG1 VAL 93 -8.830 -7.935 -12.549 736 1HG2 VAL 93 1HG2 VAL 93 -8.251 -5.309 -9.336 737 2HG2 VAL 93 2HG2 VAL 93 -7.144 -5.426 -10.704 738 3HG2 VAL 93 3HG2 VAL 93 -8.592 -4.426 -10.824 739 H LEU 94 H LEU 94 -10.947 -7.203 -13.292 740 HA LEU 94 HA LEU 94 -11.762 -9.802 -12.420 741 1HB LEU 94 2HB LEU 94 -14.048 -9.747 -12.977 742 2HB LEU 94 3HB LEU 94 -13.762 -8.350 -11.941 743 HG LEU 94 HG LEU 94 -15.199 -7.557 -13.597 744 1HD1 LEU 94 1HD1 LEU 94 -12.507 -6.885 -14.754 745 2HD1 LEU 94 2HD1 LEU 94 -13.092 -6.212 -13.233 746 3HD1 LEU 94 3HD1 LEU 94 -13.966 -5.895 -14.732 747 1HD2 LEU 94 1HD2 LEU 94 -15.344 -8.283 -15.738 748 2HD2 LEU 94 2HD2 LEU 94 -14.510 -9.683 -15.064 749 3HD2 LEU 94 3HD2 LEU 94 -13.597 -8.441 -15.922 750 H PHE 95 H PHE 95 -12.633 -11.098 -14.329 751 HA PHE 95 HA PHE 95 -11.546 -10.106 -16.872 752 1HB PHE 95 2HB PHE 95 -10.907 -12.683 -15.469 753 2HB PHE 95 3HB PHE 95 -10.815 -12.577 -17.224 754 HD1 PHE 95 HD1 PHE 95 -9.082 -11.323 -18.307 755 HD2 PHE 95 HD2 PHE 95 -9.376 -11.416 -14.061 756 HE1 PHE 95 HE1 PHE 95 -6.820 -10.370 -18.132 757 HE2 PHE 95 HE2 PHE 95 -7.115 -10.463 -13.880 758 HZ PHE 95 HZ PHE 95 -5.834 -9.938 -15.917 759 H ASN 96 H ASN 96 -12.556 -10.870 -18.736 760 HA ASN 96 HA ASN 96 -14.663 -12.821 -18.596 761 1HB ASN 96 2HB ASN 96 -15.343 -10.138 -18.071 762 2HB ASN 96 3HB ASN 96 -15.882 -10.460 -19.717 763 1HD2 ASN 96 1HD2 ASN 96 -15.762 -12.329 -16.700 764 2HD2 ASN 96 2HD2 ASN 96 -17.419 -12.814 -16.737 765 H GLY 97 H GLY 97 -12.163 -12.221 -20.080 766 1HA GLY 97 2HA GLY 97 -11.427 -12.695 -22.214 767 2HA GLY 97 3HA GLY 97 -13.099 -12.985 -22.674 768 HA PRO 98 HA PRO 98 -12.409 -8.221 -23.147 769 1HB PRO 98 2HB PRO 98 -9.863 -7.323 -22.856 770 2HB PRO 98 3HB PRO 98 -11.005 -7.427 -21.511 771 1HG PRO 98 2HG PRO 98 -8.817 -9.316 -22.288 772 2HG PRO 98 3HG PRO 98 -9.275 -8.737 -20.675 773 1HD PRO 98 2HD PRO 98 -10.010 -11.168 -21.613 774 2HD PRO 98 3HD PRO 98 -11.023 -10.229 -20.498 775 H LEU 99 H LEU 99 -9.963 -10.501 -24.187 776 HA LEU 99 HA LEU 99 -9.644 -9.069 -26.726 777 1HB LEU 99 2HB LEU 99 -7.968 -10.839 -25.119 778 2HB LEU 99 3HB LEU 99 -7.972 -11.244 -26.834 779 HG LEU 99 HG LEU 99 -7.438 -8.720 -27.164 780 1HD1 LEU 99 1HD1 LEU 99 -6.821 -9.155 -24.260 781 2HD1 LEU 99 2HD1 LEU 99 -7.718 -7.838 -25.015 782 3HD1 LEU 99 3HD1 LEU 99 -5.971 -7.947 -25.225 783 1HD2 LEU 99 1HD2 LEU 99 -5.937 -11.010 -27.116 784 2HD2 LEU 99 2HD2 LEU 99 -5.066 -9.960 -25.998 785 3HD2 LEU 99 3HD2 LEU 99 -5.373 -9.426 -27.651 786 H GLU 100 H GLU 100 -9.858 -10.177 -28.729 787 HA GLU 100 HA GLU 100 -11.935 -12.216 -28.656 788 1HB GLU 100 2HB GLU 100 -12.185 -11.785 -31.039 789 2HB GLU 100 3HB GLU 100 -12.212 -10.274 -30.140 790 1HG GLU 100 2HG GLU 100 -9.826 -9.944 -30.723 791 2HG GLU 100 3HG GLU 100 -9.914 -11.388 -31.730 792 H HIS 101 H HIS 101 -8.782 -12.412 -28.329 793 HA HIS 101 HA HIS 101 -7.186 -13.988 -28.712 794 1HB HIS 101 2HB HIS 101 -8.697 -15.599 -27.843 795 2HB HIS 101 3HB HIS 101 -9.681 -15.576 -29.303 796 HD1 HIS 101 HD1 HIS 101 -9.086 -17.210 -31.116 797 HD2 HIS 101 HD2 HIS 101 -6.171 -16.959 -28.166 798 HE1 HIS 101 HE1 HIS 101 -7.464 -19.067 -31.613 Start of MODEL 15 1 1H MET 1 H MET 1 2.935 -1.416 0.367 2 HA MET 1 HA MET 1 3.474 -2.809 -2.094 3 1HB MET 1 2HB MET 1 1.702 -1.069 -2.650 4 2HB MET 1 3HB MET 1 2.918 0.148 -2.286 5 1HG MET 1 2HG MET 1 2.865 -0.180 -4.643 6 2HG MET 1 3HG MET 1 4.370 -0.855 -4.023 7 1HE MET 1 1HE MET 1 3.442 -2.214 -7.114 8 2HE MET 1 2HE MET 1 1.735 -2.596 -6.893 9 3HE MET 1 3HE MET 1 2.334 -0.980 -6.514 10 H LYS 2 H LYS 2 5.525 -2.252 -3.011 11 HA LYS 2 HA LYS 2 7.268 -0.784 -1.141 12 1HB LYS 2 2HB LYS 2 7.803 -3.251 -2.789 13 2HB LYS 2 3HB LYS 2 9.099 -2.286 -2.096 14 1HG LYS 2 2HG LYS 2 8.125 -2.663 0.146 15 2HG LYS 2 3HG LYS 2 6.924 -3.725 -0.592 16 1HD LYS 2 2HD LYS 2 8.653 -5.228 -1.350 17 2HD LYS 2 3HD LYS 2 9.909 -4.129 -0.774 18 1HE LYS 2 2HE LYS 2 8.264 -4.575 1.433 19 2HE LYS 2 3HE LYS 2 8.426 -6.151 0.661 20 1HZ LYS 2 1HZ LYS 2 10.872 -5.756 0.663 21 2HZ LYS 2 2HZ LYS 2 10.192 -5.921 2.202 22 3HZ LYS 2 3HZ LYS 2 10.608 -4.388 1.622 23 H VAL 3 H VAL 3 8.344 0.911 -1.925 24 HA VAL 3 HA VAL 3 8.629 1.161 -4.848 25 HB VAL 3 HB VAL 3 8.202 3.534 -3.049 26 1HG1 VAL 3 1HG1 VAL 3 8.411 3.036 -5.961 27 2HG1 VAL 3 2HG1 VAL 3 7.258 4.264 -5.433 28 3HG1 VAL 3 3HG1 VAL 3 8.962 4.409 -5.001 29 1HG2 VAL 3 1HG2 VAL 3 6.226 2.250 -2.734 30 2HG2 VAL 3 2HG2 VAL 3 5.835 3.511 -3.903 31 3HG2 VAL 3 3HG2 VAL 3 6.127 1.860 -4.451 32 H TYR 4 H TYR 4 10.552 1.932 -5.604 33 HA TYR 4 HA TYR 4 12.595 2.614 -3.594 34 1HB TYR 4 2HB TYR 4 12.687 0.689 -5.868 35 2HB TYR 4 3HB TYR 4 14.152 1.590 -5.491 36 HD1 TYR 4 HD1 TYR 4 15.385 1.166 -3.459 37 HD2 TYR 4 HD2 TYR 4 11.766 -0.919 -4.269 38 HE1 TYR 4 HE1 TYR 4 15.911 -0.432 -1.665 39 HE2 TYR 4 HE2 TYR 4 12.281 -2.522 -2.476 40 HH TYR 4 HH TYR 4 14.251 -3.362 -1.270 41 H VAL 5 H VAL 5 12.936 4.732 -3.804 42 HA VAL 5 HA VAL 5 13.082 5.878 -6.511 43 HB VAL 5 HB VAL 5 12.878 8.093 -5.290 44 1HG1 VAL 5 1HG1 VAL 5 10.806 6.051 -5.708 45 2HG1 VAL 5 2HG1 VAL 5 10.340 7.392 -4.660 46 3HG1 VAL 5 3HG1 VAL 5 10.905 7.708 -6.301 47 1HG2 VAL 5 1HG2 VAL 5 13.267 6.547 -3.049 48 2HG2 VAL 5 2HG2 VAL 5 12.673 8.208 -3.066 49 3HG2 VAL 5 3HG2 VAL 5 11.532 6.864 -3.018 50 H GLY 6 H GLY 6 15.149 5.772 -7.177 51 1HA GLY 6 2HA GLY 6 17.256 6.583 -5.280 52 2HA GLY 6 3HA GLY 6 17.511 5.560 -6.686 53 H ASN 7 H ASN 7 19.288 7.293 -6.815 54 HA ASN 7 HA ASN 7 20.206 8.989 -8.020 55 1HB ASN 7 2HB ASN 7 17.712 8.373 -9.479 56 2HB ASN 7 3HB ASN 7 18.394 9.966 -9.795 57 1HD2 ASN 7 1HD2 ASN 7 19.438 6.589 -9.482 58 2HD2 ASN 7 2HD2 ASN 7 20.547 6.632 -10.806 59 H LEU 8 H LEU 8 20.021 10.093 -5.892 60 HA LEU 8 HA LEU 8 18.271 12.452 -6.110 61 1HB LEU 8 2HB LEU 8 19.196 11.206 -3.532 62 2HB LEU 8 3HB LEU 8 18.018 12.501 -3.737 63 HG LEU 8 HG LEU 8 17.445 9.829 -4.932 64 1HD1 LEU 8 1HD1 LEU 8 17.933 10.267 -2.136 65 2HD1 LEU 8 2HD1 LEU 8 17.510 8.779 -2.980 66 3HD1 LEU 8 3HD1 LEU 8 16.239 9.859 -2.409 67 1HD2 LEU 8 1HD2 LEU 8 15.292 10.550 -4.962 68 2HD2 LEU 8 2HD2 LEU 8 16.094 12.120 -5.009 69 3HD2 LEU 8 3HD2 LEU 8 15.468 11.494 -3.482 70 H GLY 9 H GLY 9 19.901 13.665 -7.122 71 1HA GLY 9 2HA GLY 9 21.768 14.868 -5.273 72 2HA GLY 9 3HA GLY 9 22.533 13.950 -6.561 73 H THR 10 H THR 10 19.919 16.352 -6.213 74 HA THR 10 HA THR 10 21.204 18.285 -7.826 75 HB THR 10 HB THR 10 20.664 16.695 -9.635 76 HG1 THR 10 HG1 THR 10 20.524 19.093 -9.854 77 1HG2 THR 10 1HG2 THR 10 18.653 15.732 -9.916 78 2HG2 THR 10 2HG2 THR 10 17.787 17.232 -9.581 79 3HG2 THR 10 3HG2 THR 10 18.350 16.222 -8.249 80 H GLY 11 H GLY 11 19.691 18.023 -5.340 81 1HA GLY 11 2HA GLY 11 18.429 19.641 -4.213 82 2HA GLY 11 3HA GLY 11 17.910 20.285 -5.764 83 H ALA 12 H ALA 12 17.635 16.900 -5.456 84 HA ALA 12 HA ALA 12 14.792 17.134 -4.729 85 1HB ALA 12 1HB ALA 12 15.993 15.671 -7.061 86 2HB ALA 12 2HB ALA 12 14.403 15.263 -6.414 87 3HB ALA 12 3HB ALA 12 14.705 16.876 -7.060 88 H GLY 13 H GLY 13 14.733 16.196 -2.770 89 1HA GLY 13 2HA GLY 13 15.811 13.457 -2.566 90 2HA GLY 13 3HA GLY 13 16.090 14.629 -1.286 91 H LYS 14 H LYS 14 14.878 14.149 0.412 92 HA LYS 14 HA LYS 14 12.589 12.545 0.380 93 1HB LYS 14 2HB LYS 14 14.064 13.081 2.365 94 2HB LYS 14 3HB LYS 14 13.230 14.626 2.472 95 1HG LYS 14 2HG LYS 14 11.395 12.379 2.349 96 2HG LYS 14 3HG LYS 14 12.499 12.286 3.723 97 1HD LYS 14 2HD LYS 14 11.406 14.958 3.305 98 2HD LYS 14 3HD LYS 14 10.166 13.743 3.622 99 1HE LYS 14 2HE LYS 14 10.856 14.679 5.716 100 2HE LYS 14 3HE LYS 14 11.469 13.029 5.619 101 1HZ LYS 14 1HZ LYS 14 13.461 14.568 4.553 102 2HZ LYS 14 2HZ LYS 14 13.442 13.891 6.103 103 3HZ LYS 14 3HZ LYS 14 12.908 15.479 5.868 104 H GLY 15 H GLY 15 12.900 16.085 0.523 105 1HA GLY 15 2HA GLY 15 10.152 16.659 0.693 106 2HA GLY 15 3HA GLY 15 11.387 17.757 0.095 107 H GLU 16 H GLU 16 12.280 16.384 -2.138 108 HA GLU 16 HA GLU 16 10.404 17.140 -4.070 109 1HB GLU 16 2HB GLU 16 13.045 16.398 -4.095 110 2HB GLU 16 3HB GLU 16 12.278 15.047 -4.918 111 1HG GLU 16 2HG GLU 16 12.572 16.330 -6.731 112 2HG GLU 16 3HG GLU 16 11.080 17.090 -6.181 113 H LEU 17 H LEU 17 11.411 13.837 -3.168 114 HA LEU 17 HA LEU 17 9.459 12.513 -4.684 115 1HB LEU 17 2HB LEU 17 10.181 10.570 -3.685 116 2HB LEU 17 3HB LEU 17 11.585 11.620 -3.508 117 HG LEU 17 HG LEU 17 10.453 12.106 -1.156 118 1HD1 LEU 17 1HD1 LEU 17 9.705 9.682 -0.429 119 2HD1 LEU 17 2HD1 LEU 17 9.218 9.582 -2.121 120 3HD1 LEU 17 3HD1 LEU 17 8.554 10.846 -1.086 121 1HD2 LEU 17 1HD2 LEU 17 11.883 10.327 -0.217 122 2HD2 LEU 17 2HD2 LEU 17 12.704 11.281 -1.453 123 3HD2 LEU 17 3HD2 LEU 17 12.095 9.671 -1.840 124 H GLU 18 H GLU 18 9.371 13.899 -1.474 125 HA GLU 18 HA GLU 18 7.053 12.646 -0.512 126 1HB GLU 18 2HB GLU 18 8.500 13.883 0.976 127 2HB GLU 18 3HB GLU 18 8.201 15.373 0.093 128 1HG GLU 18 2HG GLU 18 6.943 15.374 2.139 129 2HG GLU 18 3HG GLU 18 5.841 15.279 0.767 130 H ARG 19 H ARG 19 7.423 15.824 -2.084 131 HA ARG 19 HA ARG 19 4.671 16.406 -2.201 132 1HB ARG 19 2HB ARG 19 6.391 18.127 -2.454 133 2HB ARG 19 3HB ARG 19 6.921 17.394 -3.962 134 1HG ARG 19 2HG ARG 19 5.134 18.184 -5.140 135 2HG ARG 19 3HG ARG 19 4.079 18.220 -3.727 136 1HD ARG 19 2HD ARG 19 4.566 20.477 -4.376 137 2HD ARG 19 3HD ARG 19 5.398 20.136 -2.859 138 HE ARG 19 HE ARG 19 7.083 19.638 -5.091 139 1HH1 ARG 19 1HH1 ARG 19 5.740 22.195 -3.147 140 2HH1 ARG 19 2HH1 ARG 19 7.040 23.296 -3.463 141 1HH2 ARG 19 1HH2 ARG 19 8.800 21.078 -5.515 142 2HH2 ARG 19 2HH2 ARG 19 8.780 22.659 -4.811 143 H ALA 20 H ALA 20 6.855 14.828 -4.489 144 HA ALA 20 HA ALA 20 5.046 14.639 -6.640 145 1HB ALA 20 1HB ALA 20 6.639 13.375 -7.693 146 2HB ALA 20 2HB ALA 20 7.631 14.189 -6.483 147 3HB ALA 20 3HB ALA 20 7.102 12.528 -6.217 148 H PHE 21 H PHE 21 6.108 12.010 -4.470 149 HA PHE 21 HA PHE 21 4.241 10.124 -5.216 150 1HB PHE 21 2HB PHE 21 5.816 10.611 -2.731 151 2HB PHE 21 3HB PHE 21 4.519 9.422 -2.665 152 HD1 PHE 21 HD1 PHE 21 7.358 10.349 -4.905 153 HD2 PHE 21 HD2 PHE 21 5.085 7.245 -3.085 154 HE1 PHE 21 HE1 PHE 21 8.853 8.672 -5.908 155 HE2 PHE 21 HE2 PHE 21 6.576 5.562 -4.084 156 HZ PHE 21 HZ PHE 21 8.463 6.275 -5.497 157 H SER 22 H SER 22 3.945 12.658 -2.763 158 HA SER 22 HA SER 22 1.411 11.886 -1.792 159 1HB SER 22 2HB SER 22 2.665 13.369 -0.433 160 2HB SER 22 3HB SER 22 2.907 14.506 -1.759 161 HG SER 22 HG SER 22 0.602 14.033 -0.217 162 H TYR 23 H TYR 23 2.414 13.980 -4.437 163 HA TYR 23 HA TYR 23 -0.155 15.039 -5.002 164 1HB TYR 23 2HB TYR 23 2.505 15.070 -6.252 165 2HB TYR 23 3HB TYR 23 1.170 15.175 -7.394 166 HD1 TYR 23 HD1 TYR 23 1.775 16.607 -3.990 167 HD2 TYR 23 HD2 TYR 23 0.841 17.350 -8.073 168 HE1 TYR 23 HE1 TYR 23 1.548 19.005 -3.495 169 HE2 TYR 23 HE2 TYR 23 0.612 19.751 -7.590 170 HH TYR 23 HH TYR 23 1.537 21.365 -5.799 171 H TYR 24 H TYR 24 1.550 12.148 -5.995 172 HA TYR 24 HA TYR 24 -0.381 11.469 -8.030 173 1HB TYR 24 2HB TYR 24 2.118 10.246 -6.958 174 2HB TYR 24 3HB TYR 24 0.973 9.195 -7.785 175 HD1 TYR 24 HD1 TYR 24 0.718 9.271 -10.154 176 HD2 TYR 24 HD2 TYR 24 3.156 12.145 -8.179 177 HE1 TYR 24 HE1 TYR 24 1.620 9.990 -12.326 178 HE2 TYR 24 HE2 TYR 24 4.065 12.872 -10.345 179 HH TYR 24 HH TYR 24 4.213 12.376 -12.539 180 H GLY 25 H GLY 25 0.378 10.471 -4.728 181 1HA GLY 25 2HA GLY 25 -2.311 9.587 -4.293 182 2HA GLY 25 3HA GLY 25 -1.192 8.239 -4.432 183 HA PRO 26 HA PRO 26 -1.345 9.941 -0.033 184 1HB PRO 26 2HB PRO 26 -2.407 7.731 1.132 185 2HB PRO 26 3HB PRO 26 -3.396 9.045 0.485 186 1HG PRO 26 2HG PRO 26 -2.704 6.409 -0.753 187 2HG PRO 26 3HG PRO 26 -4.262 7.254 -0.720 188 1HD PRO 26 2HD PRO 26 -2.631 7.289 -2.881 189 2HD PRO 26 3HD PRO 26 -3.680 8.656 -2.455 190 H LEU 27 H LEU 27 0.707 9.837 0.640 191 HA LEU 27 HA LEU 27 2.348 7.520 0.247 192 1HB LEU 27 2HB LEU 27 2.692 10.260 1.268 193 2HB LEU 27 3HB LEU 27 3.777 9.054 1.955 194 HG LEU 27 HG LEU 27 3.491 9.694 -0.980 195 1HD1 LEU 27 1HD1 LEU 27 5.838 10.533 -0.672 196 2HD1 LEU 27 2HD1 LEU 27 5.566 10.438 1.068 197 3HD1 LEU 27 3HD1 LEU 27 4.580 11.516 0.079 198 1HD2 LEU 27 1HD2 LEU 27 4.692 7.473 0.459 199 2HD2 LEU 27 2HD2 LEU 27 5.849 8.321 -0.567 200 3HD2 LEU 27 3HD2 LEU 27 4.368 7.663 -1.264 201 H ARG 28 H ARG 28 2.744 5.890 1.608 202 HA ARG 28 HA ARG 28 1.361 5.869 4.171 203 1HB ARG 28 2HB ARG 28 1.145 3.935 2.653 204 2HB ARG 28 3HB ARG 28 2.880 3.670 2.759 205 1HG ARG 28 2HG ARG 28 1.940 3.753 5.402 206 2HG ARG 28 3HG ARG 28 0.797 2.761 4.494 207 1HD ARG 28 2HD ARG 28 3.647 2.255 3.944 208 2HD ARG 28 3HD ARG 28 3.097 1.832 5.565 209 HE ARG 28 HE ARG 28 1.327 0.829 3.582 210 1HH1 ARG 28 1HH1 ARG 28 4.418 0.265 5.082 211 2HH1 ARG 28 2HH1 ARG 28 4.403 -1.440 4.772 212 1HH2 ARG 28 1HH2 ARG 28 1.296 -1.414 3.169 213 2HH2 ARG 28 2HH2 ARG 28 2.628 -2.394 3.683 214 H THR 29 H THR 29 4.644 5.430 2.897 215 HA THR 29 HA THR 29 5.767 6.493 5.335 216 HB THR 29 HB THR 29 7.229 4.076 4.856 217 HG1 THR 29 HG1 THR 29 5.368 2.735 5.722 218 1HG2 THR 29 1HG2 THR 29 5.529 4.545 7.269 219 2HG2 THR 29 2HG2 THR 29 6.889 5.620 6.942 220 3HG2 THR 29 3HG2 THR 29 7.162 3.891 7.157 221 H VAL 30 H VAL 30 7.928 7.143 5.115 222 HA VAL 30 HA VAL 30 9.085 6.856 2.423 223 HB VAL 30 HB VAL 30 8.057 9.091 2.648 224 1HG1 VAL 30 1HG1 VAL 30 8.415 9.241 5.124 225 2HG1 VAL 30 2HG1 VAL 30 10.109 9.611 4.792 226 3HG1 VAL 30 3HG1 VAL 30 8.840 10.697 4.224 227 1HG2 VAL 30 1HG2 VAL 30 9.809 10.239 1.651 228 2HG2 VAL 30 2HG2 VAL 30 11.025 9.483 2.680 229 3HG2 VAL 30 3HG2 VAL 30 10.258 8.553 1.393 230 H TRP 31 H TRP 31 11.327 6.789 2.302 231 HA TRP 31 HA TRP 31 12.896 7.038 4.733 232 1HB TRP 31 2HB TRP 31 11.958 4.507 3.882 233 2HB TRP 31 3HB TRP 31 13.676 4.566 3.498 234 HD1 TRP 31 HD1 TRP 31 11.376 5.180 6.564 235 HE1 TRP 31 HE1 TRP 31 12.671 4.479 8.675 236 HE3 TRP 31 HE3 TRP 31 15.851 3.971 4.407 237 HZ2 TRP 31 HZ2 TRP 31 15.248 3.539 9.338 238 HZ3 TRP 31 HZ3 TRP 31 17.680 3.179 5.851 239 HH2 TRP 31 HH2 TRP 31 17.383 2.969 8.265 240 H ILE 32 H ILE 32 14.992 7.594 4.350 241 HA ILE 32 HA ILE 32 15.867 7.635 1.536 242 HB ILE 32 HB ILE 32 16.544 9.727 3.603 243 1HG1 ILE 32 2HG1 ILE 32 14.153 9.805 3.015 244 2HG1 ILE 32 3HG1 ILE 32 15.016 11.206 2.391 245 1HG2 ILE 32 1HG2 ILE 32 18.265 9.862 2.106 246 2HG2 ILE 32 2HG2 ILE 32 17.293 9.259 0.765 247 3HG2 ILE 32 3HG2 ILE 32 17.096 10.922 1.319 248 1HD1 ILE 32 1HD1 ILE 32 15.189 9.810 0.217 249 2HD1 ILE 32 2HD1 ILE 32 13.858 8.889 0.918 250 3HD1 ILE 32 3HD1 ILE 32 13.674 10.617 0.621 251 H ALA 33 H ALA 33 17.955 7.065 1.104 252 HA ALA 33 HA ALA 33 19.486 5.983 3.371 253 1HB ALA 33 1HB ALA 33 20.113 5.293 0.538 254 2HB ALA 33 2HB ALA 33 20.314 4.332 2.003 255 3HB ALA 33 3HB ALA 33 18.707 4.565 1.316 256 H ARG 34 H ARG 34 20.868 7.506 4.065 257 HA ARG 34 HA ARG 34 22.107 9.390 2.287 258 1HB ARG 34 2HB ARG 34 21.494 9.500 4.899 259 2HB ARG 34 3HB ARG 34 23.176 9.005 5.028 260 1HG ARG 34 2HG ARG 34 23.840 10.943 3.682 261 2HG ARG 34 3HG ARG 34 22.151 11.445 3.593 262 1HD ARG 34 2HD ARG 34 23.634 11.056 6.184 263 2HD ARG 34 3HD ARG 34 23.541 12.603 5.343 264 HE ARG 34 HE ARG 34 20.941 11.748 5.621 265 1HH1 ARG 34 1HH1 ARG 34 23.599 12.484 7.746 266 2HH1 ARG 34 2HH1 ARG 34 22.582 12.995 9.053 267 1HH2 ARG 34 1HH2 ARG 34 19.593 12.418 7.335 268 2HH2 ARG 34 2HH2 ARG 34 20.304 12.956 8.818 269 H ASN 35 H ASN 35 22.957 6.334 3.719 270 HA ASN 35 HA ASN 35 25.690 6.304 3.652 271 1HB ASN 35 2HB ASN 35 23.574 4.300 3.438 272 2HB ASN 35 3HB ASN 35 25.053 3.821 2.610 273 1HD2 ASN 35 1HD2 ASN 35 23.764 2.809 5.061 274 2HD2 ASN 35 2HD2 ASN 35 24.976 2.901 6.289 275 HA PRO 36 HA PRO 36 25.701 5.129 -1.033 276 1HB PRO 36 2HB PRO 36 23.353 5.340 -2.379 277 2HB PRO 36 3HB PRO 36 23.860 3.859 -1.557 278 1HG PRO 36 2HG PRO 36 21.966 5.986 -0.633 279 2HG PRO 36 3HG PRO 36 21.814 4.223 -0.512 280 1HD PRO 36 2HD PRO 36 22.600 5.763 1.571 281 2HD PRO 36 3HD PRO 36 23.188 4.105 1.335 282 HA PRO 37 HA PRO 37 26.019 9.198 -2.670 283 1HB PRO 37 2HB PRO 37 25.851 8.811 -5.352 284 2HB PRO 37 3HB PRO 37 27.258 8.328 -4.398 285 1HG PRO 37 2HG PRO 37 24.971 6.662 -5.374 286 2HG PRO 37 3HG PRO 37 26.704 6.286 -5.363 287 1HD PRO 37 2HD PRO 37 24.991 5.319 -3.502 288 2HD PRO 37 3HD PRO 37 26.688 5.690 -3.137 289 H GLY 38 H GLY 38 23.248 7.311 -3.714 290 1HA GLY 38 2HA GLY 38 21.427 9.425 -3.315 291 2HA GLY 38 3HA GLY 38 21.791 9.306 -5.030 292 H PHE 39 H PHE 39 20.510 7.553 -2.254 293 HA PHE 39 HA PHE 39 18.706 6.125 -4.037 294 1HB PHE 39 2HB PHE 39 20.740 4.794 -2.265 295 2HB PHE 39 3HB PHE 39 19.241 3.979 -2.698 296 HD1 PHE 39 HD1 PHE 39 18.861 4.746 -5.476 297 HD2 PHE 39 HD2 PHE 39 22.429 3.707 -3.400 298 HE1 PHE 39 HE1 PHE 39 19.874 4.007 -7.593 299 HE2 PHE 39 HE2 PHE 39 23.448 2.968 -5.513 300 HZ PHE 39 HZ PHE 39 22.171 3.118 -7.614 301 H ALA 40 H ALA 40 16.721 5.973 -3.197 302 HA ALA 40 HA ALA 40 16.378 6.095 -0.289 303 1HB ALA 40 1HB ALA 40 16.076 8.358 -0.808 304 2HB ALA 40 2HB ALA 40 15.179 7.992 -2.282 305 3HB ALA 40 3HB ALA 40 14.441 7.704 -0.707 306 H PHE 41 H PHE 41 14.306 5.342 0.448 307 HA PHE 41 HA PHE 41 12.886 3.685 -1.531 308 1HB PHE 41 2HB PHE 41 14.181 2.208 -0.136 309 2HB PHE 41 3HB PHE 41 13.605 3.005 1.324 310 HD1 PHE 41 HD1 PHE 41 11.312 2.660 2.104 311 HD2 PHE 41 HD2 PHE 41 12.853 0.583 -1.276 312 HE1 PHE 41 HE1 PHE 41 9.452 1.055 2.248 313 HE2 PHE 41 HE2 PHE 41 10.996 -1.025 -1.139 314 HZ PHE 41 HZ PHE 41 9.292 -0.790 0.624 315 H VAL 42 H VAL 42 10.657 3.505 -1.321 316 HA VAL 42 HA VAL 42 9.366 5.113 0.766 317 HB VAL 42 HB VAL 42 8.786 5.344 -2.189 318 1HG1 VAL 42 1HG1 VAL 42 7.095 7.034 -1.457 319 2HG1 VAL 42 2HG1 VAL 42 6.693 5.368 -1.036 320 3HG1 VAL 42 3HG1 VAL 42 7.323 6.463 0.195 321 1HG2 VAL 42 1HG2 VAL 42 10.754 6.603 -1.102 322 2HG2 VAL 42 2HG2 VAL 42 9.615 7.519 -2.089 323 3HG2 VAL 42 3HG2 VAL 42 9.506 7.581 -0.329 324 H GLU 43 H GLU 43 7.314 4.435 1.363 325 HA GLU 43 HA GLU 43 6.471 1.852 0.223 326 1HB GLU 43 2HB GLU 43 7.224 2.315 2.799 327 2HB GLU 43 3HB GLU 43 5.487 2.568 2.908 328 1HG GLU 43 2HG GLU 43 5.010 0.393 2.586 329 2HG GLU 43 3HG GLU 43 6.339 0.156 1.453 330 H PHE 44 H PHE 44 4.587 1.837 -0.796 331 HA PHE 44 HA PHE 44 2.731 4.071 -0.350 332 1HB PHE 44 2HB PHE 44 3.708 2.814 -2.709 333 2HB PHE 44 3HB PHE 44 1.979 2.496 -2.610 334 HD1 PHE 44 HD1 PHE 44 0.871 4.883 -1.462 335 HD2 PHE 44 HD2 PHE 44 4.052 4.473 -4.260 336 HE1 PHE 44 HE1 PHE 44 0.406 7.143 -2.316 337 HE2 PHE 44 HE2 PHE 44 3.592 6.733 -5.118 338 HZ PHE 44 HZ PHE 44 1.768 8.071 -4.146 339 H GLU 45 H GLU 45 0.919 3.701 0.732 340 HA GLU 45 HA GLU 45 0.200 1.297 1.881 341 1HB GLU 45 2HB GLU 45 -0.741 3.310 2.737 342 2HB GLU 45 3HB GLU 45 -1.462 3.714 1.185 343 1HG GLU 45 2HG GLU 45 -3.289 2.513 1.594 344 2HG GLU 45 3HG GLU 45 -2.363 1.150 2.219 345 H ASP 46 H ASP 46 -0.623 2.575 -1.274 346 HA ASP 46 HA ASP 46 -1.996 0.038 -1.878 347 1HB ASP 46 2HB ASP 46 -2.636 2.571 -3.353 348 2HB ASP 46 3HB ASP 46 -3.619 1.123 -3.152 349 HA PRO 47 HA PRO 47 0.954 -0.556 -5.080 350 1HB PRO 47 2HB PRO 47 -0.498 -2.100 -6.776 351 2HB PRO 47 3HB PRO 47 0.140 -2.699 -5.240 352 1HG PRO 47 2HG PRO 47 -2.619 -1.741 -5.901 353 2HG PRO 47 3HG PRO 47 -2.122 -3.148 -4.942 354 1HD PRO 47 2HD PRO 47 -2.934 -0.825 -3.810 355 2HD PRO 47 3HD PRO 47 -1.718 -1.880 -3.060 356 H ARG 48 H ARG 48 -2.328 0.245 -6.215 357 HA ARG 48 HA ARG 48 -1.717 1.095 -8.773 358 1HB ARG 48 2HB ARG 48 -3.759 2.515 -8.601 359 2HB ARG 48 3HB ARG 48 -4.007 0.855 -8.079 360 1HG ARG 48 2HG ARG 48 -3.374 2.001 -5.726 361 2HG ARG 48 3HG ARG 48 -4.138 3.362 -6.549 362 1HD ARG 48 2HD ARG 48 -5.323 0.629 -6.083 363 2HD ARG 48 3HD ARG 48 -5.799 2.134 -5.298 364 HE ARG 48 HE ARG 48 -6.021 2.172 -8.170 365 1HH1 ARG 48 1HH1 ARG 48 -7.611 1.427 -5.164 366 2HH1 ARG 48 2HH1 ARG 48 -9.208 1.579 -5.820 367 1HH2 ARG 48 1HH2 ARG 48 -8.118 2.374 -9.046 368 2HH2 ARG 48 2HH2 ARG 48 -9.495 2.116 -8.029 369 H ASP 49 H ASP 49 -1.686 2.969 -5.761 370 HA ASP 49 HA ASP 49 -1.046 5.456 -6.887 371 1HB ASP 49 2HB ASP 49 -0.153 4.508 -4.164 372 2HB ASP 49 3HB ASP 49 -0.483 6.161 -4.676 373 H ALA 50 H ALA 50 0.970 2.746 -5.918 374 HA ALA 50 HA ALA 50 3.448 4.144 -6.248 375 1HB ALA 50 1HB ALA 50 3.631 1.255 -6.467 376 2HB ALA 50 2HB ALA 50 4.337 2.347 -5.275 377 3HB ALA 50 3HB ALA 50 2.684 1.767 -5.070 378 H GLU 51 H GLU 51 1.518 1.941 -8.228 379 HA GLU 51 HA GLU 51 3.358 1.575 -10.311 380 1HB GLU 51 2HB GLU 51 0.726 0.787 -9.754 381 2HB GLU 51 3HB GLU 51 0.635 1.655 -11.280 382 1HG GLU 51 2HG GLU 51 2.204 0.187 -12.299 383 2HG GLU 51 3HG GLU 51 2.581 -0.574 -10.755 384 H ASP 52 H ASP 52 0.760 3.966 -9.921 385 HA ASP 52 HA ASP 52 1.297 5.288 -12.388 386 1HB ASP 52 2HB ASP 52 -0.249 6.148 -9.937 387 2HB ASP 52 3HB ASP 52 -0.171 7.088 -11.425 388 H ALA 53 H ALA 53 2.029 6.072 -8.996 389 HA ALA 53 HA ALA 53 3.368 8.480 -9.446 390 1HB ALA 53 1HB ALA 53 4.373 8.148 -7.246 391 2HB ALA 53 2HB ALA 53 2.656 7.743 -7.230 392 3HB ALA 53 3HB ALA 53 3.864 6.459 -7.262 393 H VAL 54 H VAL 54 4.502 5.155 -9.610 394 HA VAL 54 HA VAL 54 7.271 5.826 -9.856 395 HB VAL 54 HB VAL 54 5.692 3.311 -10.278 396 1HG1 VAL 54 1HG1 VAL 54 7.261 3.173 -12.049 397 2HG1 VAL 54 2HG1 VAL 54 8.564 3.796 -11.036 398 3HG1 VAL 54 3HG1 VAL 54 7.903 2.189 -10.734 399 1HG2 VAL 54 1HG2 VAL 54 6.304 2.908 -8.182 400 2HG2 VAL 54 2HG2 VAL 54 8.005 3.073 -8.616 401 3HG2 VAL 54 3HG2 VAL 54 7.079 4.491 -8.124 402 H ARG 55 H ARG 55 4.937 4.488 -12.205 403 HA ARG 55 HA ARG 55 6.490 4.645 -14.473 404 1HB ARG 55 2HB ARG 55 4.582 3.661 -15.130 405 2HB ARG 55 3HB ARG 55 3.642 4.465 -13.880 406 1HG ARG 55 2HG ARG 55 3.444 6.445 -15.266 407 2HG ARG 55 3HG ARG 55 4.447 5.693 -16.508 408 1HD ARG 55 2HD ARG 55 2.772 3.929 -16.785 409 2HD ARG 55 3HD ARG 55 1.772 4.685 -15.546 410 HE ARG 55 HE ARG 55 2.336 6.547 -17.587 411 1HH1 ARG 55 1HH1 ARG 55 0.454 3.685 -16.968 412 2HH1 ARG 55 2HH1 ARG 55 -0.778 4.088 -18.117 413 1HH2 ARG 55 1HH2 ARG 55 0.721 7.090 -19.103 414 2HH2 ARG 55 2HH2 ARG 55 -0.625 6.025 -19.332 415 H GLY 56 H GLY 56 4.738 7.202 -12.829 416 1HA GLY 56 2HA GLY 56 5.091 9.128 -14.934 417 2HA GLY 56 3HA GLY 56 4.516 9.454 -13.306 418 H LEU 57 H LEU 57 6.438 8.927 -11.635 419 HA LEU 57 HA LEU 57 8.282 10.997 -11.924 420 1HB LEU 57 2HB LEU 57 7.967 8.684 -10.101 421 2HB LEU 57 3HB LEU 57 9.544 9.470 -10.134 422 HG LEU 57 HG LEU 57 8.582 11.554 -9.423 423 1HD1 LEU 57 1HD1 LEU 57 6.003 11.209 -8.718 424 2HD1 LEU 57 2HD1 LEU 57 6.067 10.227 -10.181 425 3HD1 LEU 57 3HD1 LEU 57 6.520 11.930 -10.243 426 1HD2 LEU 57 1HD2 LEU 57 8.452 9.138 -7.901 427 2HD2 LEU 57 2HD2 LEU 57 7.137 10.208 -7.412 428 3HD2 LEU 57 3HD2 LEU 57 8.806 10.778 -7.357 429 H ASP 58 H ASP 58 8.467 7.626 -12.840 430 HA ASP 58 HA ASP 58 11.289 7.780 -13.478 431 1HB ASP 58 2HB ASP 58 9.704 5.708 -12.734 432 2HB ASP 58 3HB ASP 58 9.704 5.495 -14.483 433 H GLY 59 H GLY 59 8.200 7.807 -15.164 434 1HA GLY 59 2HA GLY 59 9.145 7.493 -17.787 435 2HA GLY 59 3HA GLY 59 7.652 8.304 -17.336 436 H LYS 60 H LYS 60 8.707 10.419 -15.837 437 HA LYS 60 HA LYS 60 10.485 11.830 -17.688 438 1HB LYS 60 2HB LYS 60 7.826 12.890 -16.716 439 2HB LYS 60 3HB LYS 60 9.028 13.837 -17.583 440 1HG LYS 60 2HG LYS 60 8.346 11.393 -18.984 441 2HG LYS 60 3HG LYS 60 6.938 12.416 -18.690 442 1HD LYS 60 2HD LYS 60 7.638 13.362 -20.635 443 2HD LYS 60 3HD LYS 60 8.641 14.294 -19.521 444 1HE LYS 60 2HE LYS 60 10.541 13.346 -20.254 445 2HE LYS 60 3HE LYS 60 9.815 11.742 -20.355 446 1HZ LYS 60 1HZ LYS 60 8.609 12.831 -22.394 447 2HZ LYS 60 2HZ LYS 60 10.161 12.176 -22.548 448 3HZ LYS 60 3HZ LYS 60 9.961 13.848 -22.384 449 H VAL 61 H VAL 61 10.394 14.325 -16.504 450 HA VAL 61 HA VAL 61 11.624 13.747 -13.902 451 HB VAL 61 HB VAL 61 12.842 15.790 -14.109 452 1HG1 VAL 61 1HG1 VAL 61 13.578 13.788 -15.450 453 2HG1 VAL 61 2HG1 VAL 61 12.866 14.572 -16.862 454 3HG1 VAL 61 3HG1 VAL 61 14.200 15.343 -16.002 455 1HG2 VAL 61 1HG2 VAL 61 12.536 17.292 -16.064 456 2HG2 VAL 61 2HG2 VAL 61 11.115 16.350 -16.518 457 3HG2 VAL 61 3HG2 VAL 61 11.135 17.237 -14.994 458 H ILE 62 H ILE 62 11.120 14.956 -12.065 459 HA ILE 62 HA ILE 62 8.580 16.442 -12.228 460 HB ILE 62 HB ILE 62 8.211 14.454 -10.958 461 1HG1 ILE 62 2HG1 ILE 62 7.653 16.921 -10.017 462 2HG1 ILE 62 3HG1 ILE 62 7.147 15.442 -9.207 463 1HG2 ILE 62 1HG2 ILE 62 9.567 13.950 -8.927 464 2HG2 ILE 62 2HG2 ILE 62 10.454 13.803 -10.444 465 3HG2 ILE 62 3HG2 ILE 62 10.686 15.221 -9.422 466 1HD1 ILE 62 1HD1 ILE 62 8.231 17.256 -7.794 467 2HD1 ILE 62 2HD1 ILE 62 8.838 15.610 -7.606 468 3HD1 ILE 62 3HD1 ILE 62 9.747 16.782 -8.560 469 H CYS 63 H CYS 63 8.669 18.527 -11.735 470 HA CYS 63 HA CYS 63 9.538 20.554 -11.139 471 1HB CYS 63 2HB CYS 63 8.884 19.178 -8.911 472 2HB CYS 63 3HB CYS 63 10.589 19.470 -8.591 473 HG CYS 63 HG CYS 63 10.372 22.258 -8.808 474 H GLY 64 H GLY 64 11.302 19.150 -12.750 475 1HA GLY 64 2HA GLY 64 13.472 19.393 -13.486 476 2HA GLY 64 3HA GLY 64 13.757 20.467 -12.125 477 H SER 65 H SER 65 12.603 17.168 -11.817 478 HA SER 65 HA SER 65 15.233 16.393 -10.742 479 1HB SER 65 2HB SER 65 12.668 15.335 -9.580 480 2HB SER 65 3HB SER 65 14.278 15.363 -8.862 481 HG SER 65 HG SER 65 12.646 17.631 -9.376 482 H ARG 66 H ARG 66 15.929 15.143 -12.401 483 HA ARG 66 HA ARG 66 14.155 13.200 -13.628 484 1HB ARG 66 2HB ARG 66 16.027 12.735 -15.127 485 2HB ARG 66 3HB ARG 66 15.718 14.464 -15.034 486 1HG ARG 66 2HG ARG 66 17.654 13.663 -13.058 487 2HG ARG 66 3HG ARG 66 18.149 13.161 -14.675 488 1HD ARG 66 2HD ARG 66 17.341 15.649 -15.227 489 2HD ARG 66 3HD ARG 66 17.805 15.875 -13.542 490 HE ARG 66 HE ARG 66 19.553 15.541 -15.761 491 1HH1 ARG 66 1HH1 ARG 66 19.196 14.844 -12.369 492 2HH1 ARG 66 2HH1 ARG 66 20.901 14.778 -12.070 493 1HH2 ARG 66 1HH2 ARG 66 21.800 15.457 -15.380 494 2HH2 ARG 66 2HH2 ARG 66 22.381 15.128 -13.783 495 H VAL 67 H VAL 67 14.354 12.575 -11.016 496 HA VAL 67 HA VAL 67 16.476 10.832 -10.336 497 HB VAL 67 HB VAL 67 15.092 10.102 -8.480 498 1HG1 VAL 67 1HG1 VAL 67 14.233 12.805 -8.212 499 2HG1 VAL 67 2HG1 VAL 67 15.621 12.006 -7.472 500 3HG1 VAL 67 3HG1 VAL 67 15.786 12.784 -9.046 501 1HG2 VAL 67 1HG2 VAL 67 12.962 9.773 -9.409 502 2HG2 VAL 67 2HG2 VAL 67 12.760 11.127 -8.297 503 3HG2 VAL 67 3HG2 VAL 67 12.883 11.421 -10.031 504 H ARG 68 H ARG 68 15.777 8.476 -9.587 505 HA ARG 68 HA ARG 68 14.379 7.196 -11.841 506 1HB ARG 68 2HB ARG 68 17.118 6.958 -11.150 507 2HB ARG 68 3HB ARG 68 16.347 5.434 -10.732 508 1HG ARG 68 2HG ARG 68 16.805 4.940 -12.876 509 2HG ARG 68 3HG ARG 68 15.301 5.814 -13.174 510 1HD ARG 68 2HD ARG 68 17.301 7.768 -13.043 511 2HD ARG 68 3HD ARG 68 17.986 6.451 -13.995 512 HE ARG 68 HE ARG 68 15.404 6.947 -14.933 513 1HH1 ARG 68 1HH1 ARG 68 18.502 8.527 -14.777 514 2HH1 ARG 68 2HH1 ARG 68 18.246 9.457 -16.217 515 1HH2 ARG 68 1HH2 ARG 68 15.055 8.165 -16.830 516 2HH2 ARG 68 2HH2 ARG 68 16.285 9.251 -17.383 517 H VAL 69 H VAL 69 12.513 6.544 -10.952 518 HA VAL 69 HA VAL 69 12.615 5.153 -8.358 519 HB VAL 69 HB VAL 69 11.162 7.033 -8.191 520 1HG1 VAL 69 1HG1 VAL 69 10.176 6.120 -10.856 521 2HG1 VAL 69 2HG1 VAL 69 9.102 7.039 -9.800 522 3HG1 VAL 69 3HG1 VAL 69 10.636 7.736 -10.320 523 1HG2 VAL 69 1HG2 VAL 69 9.098 6.010 -7.567 524 2HG2 VAL 69 2HG2 VAL 69 9.369 4.658 -8.666 525 3HG2 VAL 69 3HG2 VAL 69 10.385 4.849 -7.238 526 H GLU 70 H GLU 70 11.724 3.135 -8.131 527 HA GLU 70 HA GLU 70 10.351 1.905 -10.382 528 1HB GLU 70 2HB GLU 70 13.102 1.546 -10.061 529 2HB GLU 70 3HB GLU 70 12.383 0.088 -9.392 530 1HG GLU 70 2HG GLU 70 11.563 -0.602 -11.399 531 2HG GLU 70 3HG GLU 70 11.395 1.038 -12.021 532 H LEU 71 H LEU 71 9.580 -0.324 -9.811 533 HA LEU 71 HA LEU 71 8.867 -0.408 -6.957 534 1HB LEU 71 2HB LEU 71 7.070 -2.053 -8.105 535 2HB LEU 71 3HB LEU 71 6.807 -0.331 -7.839 536 HG LEU 71 HG LEU 71 7.590 0.062 -10.186 537 1HD1 LEU 71 1HD1 LEU 71 7.225 -2.163 -11.570 538 2HD1 LEU 71 2HD1 LEU 71 7.800 -2.896 -10.073 539 3HD1 LEU 71 3HD1 LEU 71 8.804 -1.718 -10.920 540 1HD2 LEU 71 1HD2 LEU 71 5.239 -1.801 -10.148 541 2HD2 LEU 71 2HD2 LEU 71 5.489 -0.349 -11.118 542 3HD2 LEU 71 3HD2 LEU 71 5.168 -0.211 -9.389 543 H SER 72 H SER 72 9.694 -2.001 -5.789 544 HA SER 72 HA SER 72 11.233 -4.089 -6.996 545 1HB SER 72 2HB SER 72 12.193 -3.663 -4.981 546 2HB SER 72 3HB SER 72 10.675 -3.132 -4.256 547 HG SER 72 HG SER 72 11.127 -5.025 -3.270 548 H THR 73 H THR 73 8.003 -3.794 -5.728 549 HA THR 73 HA THR 73 7.382 -6.459 -6.729 550 HB THR 73 HB THR 73 6.374 -5.748 -3.993 551 HG1 THR 73 HG1 THR 73 8.813 -7.093 -4.612 552 1HG2 THR 73 1HG2 THR 73 6.390 -8.092 -5.780 553 2HG2 THR 73 2HG2 THR 73 5.219 -7.609 -4.553 554 3HG2 THR 73 3HG2 THR 73 6.703 -8.435 -4.079 555 H GLY 74 H GLY 74 5.136 -6.805 -7.117 556 1HA GLY 74 2HA GLY 74 2.870 -6.113 -7.198 557 2HA GLY 74 3HA GLY 74 3.380 -4.481 -6.791 558 H MET 75 H MET 75 5.066 -6.255 -9.251 559 HA MET 75 HA MET 75 3.660 -4.718 -11.329 560 1HB MET 75 2HB MET 75 5.747 -3.575 -10.908 561 2HB MET 75 3HB MET 75 6.644 -5.083 -11.029 562 1HG MET 75 2HG MET 75 6.895 -3.731 -13.033 563 2HG MET 75 3HG MET 75 6.084 -5.255 -13.381 564 1HE MET 75 1HE MET 75 4.829 -3.141 -15.993 565 2HE MET 75 2HE MET 75 5.553 -4.648 -15.432 566 3HE MET 75 3HE MET 75 3.800 -4.511 -15.574 567 HA PRO 76 HA PRO 76 3.607 -9.157 -12.498 568 1HB PRO 76 2HB PRO 76 1.179 -9.024 -13.705 569 2HB PRO 76 3HB PRO 76 1.375 -9.261 -11.964 570 1HG PRO 76 2HG PRO 76 0.762 -6.752 -13.476 571 2HG PRO 76 3HG PRO 76 0.051 -7.350 -11.966 572 1HD PRO 76 2HD PRO 76 1.964 -5.434 -12.017 573 2HD PRO 76 3HD PRO 76 1.821 -6.605 -10.691 574 H ARG 77 H ARG 77 4.819 -9.610 -14.221 575 HA ARG 77 HA ARG 77 4.203 -8.260 -16.764 576 1HB ARG 77 2HB ARG 77 6.730 -8.410 -15.302 577 2HB ARG 77 3HB ARG 77 6.867 -8.957 -16.968 578 1HG ARG 77 2HG ARG 77 5.349 -6.569 -16.975 579 2HG ARG 77 3HG ARG 77 6.773 -6.304 -15.967 580 1HD ARG 77 2HD ARG 77 7.929 -7.566 -18.022 581 2HD ARG 77 3HD ARG 77 6.565 -6.840 -18.871 582 HE ARG 77 HE ARG 77 7.878 -4.928 -17.237 583 1HH1 ARG 77 1HH1 ARG 77 8.179 -6.670 -20.236 584 2HH1 ARG 77 2HH1 ARG 77 9.150 -5.452 -20.996 585 1HH2 ARG 77 1HH2 ARG 77 9.155 -3.319 -18.226 586 2HH2 ARG 77 2HH2 ARG 77 9.705 -3.547 -19.852 587 H ARG 78 H ARG 78 5.424 -9.541 -18.610 588 HA ARG 78 HA ARG 78 4.300 -12.190 -18.559 589 1HB ARG 78 2HB ARG 78 4.996 -12.317 -20.889 590 2HB ARG 78 3HB ARG 78 4.183 -10.789 -20.578 591 1HG ARG 78 2HG ARG 78 7.060 -10.620 -20.211 592 2HG ARG 78 3HG ARG 78 6.601 -11.117 -21.841 593 1HD ARG 78 2HD ARG 78 5.473 -8.716 -20.408 594 2HD ARG 78 3HD ARG 78 6.816 -8.652 -21.548 595 HE ARG 78 HE ARG 78 4.024 -8.936 -22.171 596 1HH1 ARG 78 1HH1 ARG 78 7.278 -9.496 -23.274 597 2HH1 ARG 78 2HH1 ARG 78 6.844 -9.519 -24.951 598 1HH2 ARG 78 1HH2 ARG 78 3.440 -8.964 -24.376 599 2HH2 ARG 78 2HH2 ARG 78 4.661 -9.216 -25.577 600 H SER 79 H SER 79 7.230 -10.868 -17.617 601 HA SER 79 HA SER 79 9.034 -12.900 -18.420 602 1HB SER 79 2HB SER 79 10.315 -11.161 -17.743 603 2HB SER 79 3HB SER 79 9.084 -10.566 -16.630 604 HG SER 79 HG SER 79 10.925 -12.680 -16.192 605 H ARG 80 H ARG 80 10.067 -14.487 -17.055 606 HA ARG 80 HA ARG 80 8.138 -15.888 -15.419 607 1HB ARG 80 2HB ARG 80 10.910 -16.546 -16.397 608 2HB ARG 80 3HB ARG 80 10.061 -17.572 -15.248 609 1HG ARG 80 2HG ARG 80 8.180 -17.290 -17.180 610 2HG ARG 80 3HG ARG 80 9.665 -17.236 -18.131 611 1HD ARG 80 2HD ARG 80 10.154 -19.307 -16.415 612 2HD ARG 80 3HD ARG 80 8.421 -19.465 -16.699 613 HE ARG 80 HE ARG 80 9.417 -19.168 -19.190 614 1HH1 ARG 80 1HH1 ARG 80 10.221 -21.279 -16.541 615 2HH1 ARG 80 2HH1 ARG 80 10.755 -22.572 -17.563 616 1HH2 ARG 80 1HH2 ARG 80 10.117 -20.863 -20.546 617 2HH2 ARG 80 2HH2 ARG 80 10.696 -22.334 -19.841 618 H PHE 81 H PHE 81 8.609 -13.600 -14.130 619 HA PHE 81 HA PHE 81 10.782 -13.601 -12.329 620 1HB PHE 81 2HB PHE 81 8.081 -12.252 -12.202 621 2HB PHE 81 3HB PHE 81 9.366 -11.966 -11.033 622 HD1 PHE 81 HD1 PHE 81 7.847 -10.289 -13.392 623 HD2 PHE 81 HD2 PHE 81 11.745 -11.858 -12.713 624 HE1 PHE 81 HE1 PHE 81 8.795 -8.562 -14.866 625 HE2 PHE 81 HE2 PHE 81 12.699 -10.134 -14.185 626 HZ PHE 81 HZ PHE 81 11.225 -8.482 -15.263 627 H ASP 82 H ASP 82 11.162 -15.072 -10.821 628 HA ASP 82 HA ASP 82 9.241 -16.904 -9.859 629 1HB ASP 82 2HB ASP 82 12.030 -16.598 -9.701 630 2HB ASP 82 3HB ASP 82 11.459 -16.594 -8.034 631 H ARG 83 H ARG 83 10.287 -13.770 -8.759 632 HA ARG 83 HA ARG 83 9.221 -13.964 -6.124 633 1HB ARG 83 2HB ARG 83 10.480 -11.910 -7.790 634 2HB ARG 83 3HB ARG 83 9.249 -11.273 -6.707 635 1HG ARG 83 2HG ARG 83 10.700 -12.968 -5.090 636 2HG ARG 83 3HG ARG 83 11.924 -12.234 -6.128 637 1HD ARG 83 2HD ARG 83 11.804 -10.729 -4.379 638 2HD ARG 83 3HD ARG 83 10.704 -10.015 -5.558 639 HE ARG 83 HE ARG 83 9.000 -10.331 -4.078 640 1HH1 ARG 83 1HH1 ARG 83 11.634 -12.435 -3.208 641 2HH1 ARG 83 2HH1 ARG 83 10.882 -12.987 -1.748 642 1HH2 ARG 83 1HH2 ARG 83 8.000 -11.051 -2.158 643 2HH2 ARG 83 2HH2 ARG 83 8.815 -12.200 -1.152 644 HA PRO 84 HA PRO 84 4.941 -13.557 -7.241 645 1HB PRO 84 2HB PRO 84 3.988 -13.357 -4.707 646 2HB PRO 84 3HB PRO 84 4.506 -14.889 -5.420 647 1HG PRO 84 2HG PRO 84 5.989 -13.064 -3.567 648 2HG PRO 84 3HG PRO 84 5.873 -14.833 -3.540 649 1HD PRO 84 2HD PRO 84 8.025 -13.529 -4.541 650 2HD PRO 84 3HD PRO 84 7.469 -15.088 -5.183 651 HA PRO 85 HA PRO 85 4.971 -9.043 -7.109 652 1HB PRO 85 2HB PRO 85 3.054 -8.753 -9.009 653 2HB PRO 85 3HB PRO 85 4.747 -9.087 -9.395 654 1HG PRO 85 2HG PRO 85 2.426 -10.973 -9.262 655 2HG PRO 85 3HG PRO 85 3.725 -10.881 -10.466 656 1HD PRO 85 2HD PRO 85 3.722 -12.704 -8.463 657 2HD PRO 85 3HD PRO 85 5.218 -12.016 -9.126 658 H ALA 86 H ALA 86 3.683 -7.593 -6.064 659 HA ALA 86 HA ALA 86 1.359 -8.657 -4.682 660 1HB ALA 86 1HB ALA 86 3.103 -6.267 -4.358 661 2HB ALA 86 2HB ALA 86 1.472 -6.225 -3.687 662 3HB ALA 86 3HB ALA 86 2.606 -7.473 -3.171 663 H ARG 87 H ARG 87 -0.285 -8.773 -6.173 664 HA ARG 87 HA ARG 87 -1.571 -6.275 -6.827 665 1HB ARG 87 2HB ARG 87 -1.786 -7.283 -9.297 666 2HB ARG 87 3HB ARG 87 -0.506 -6.170 -8.835 667 1HG ARG 87 2HG ARG 87 0.309 -8.095 -10.133 668 2HG ARG 87 3HG ARG 87 1.036 -7.991 -8.528 669 1HD ARG 87 2HD ARG 87 0.065 -9.904 -7.821 670 2HD ARG 87 3HD ARG 87 -1.424 -9.601 -8.716 671 HE ARG 87 HE ARG 87 0.821 -10.280 -10.381 672 1HH1 ARG 87 1HH1 ARG 87 -1.823 -11.516 -8.483 673 2HH1 ARG 87 2HH1 ARG 87 -1.908 -13.018 -9.341 674 1HH2 ARG 87 1HH2 ARG 87 0.719 -12.255 -11.519 675 2HH2 ARG 87 2HH2 ARG 87 -0.461 -13.438 -11.067 676 H ARG 88 H ARG 88 -1.992 -8.858 -5.343 677 HA ARG 88 HA ARG 88 -3.883 -10.478 -6.584 678 1HB ARG 88 2HB ARG 88 -4.486 -11.241 -4.392 679 2HB ARG 88 3HB ARG 88 -2.753 -10.941 -4.402 680 1HG ARG 88 2HG ARG 88 -3.265 -8.685 -3.388 681 2HG ARG 88 3HG ARG 88 -4.913 -9.272 -3.152 682 1HD ARG 88 2HD ARG 88 -2.419 -10.579 -2.071 683 2HD ARG 88 3HD ARG 88 -3.516 -9.555 -1.146 684 HE ARG 88 HE ARG 88 -3.876 -12.308 -1.788 685 1HH1 ARG 88 1HH1 ARG 88 -5.576 -9.319 -1.243 686 2HH1 ARG 88 2HH1 ARG 88 -7.039 -10.092 -0.731 687 1HH2 ARG 88 1HH2 ARG 88 -5.797 -13.338 -1.115 688 2HH2 ARG 88 2HH2 ARG 88 -7.163 -12.379 -0.658 689 H LYS 89 H LYS 89 -6.226 -10.629 -5.978 690 HA LYS 89 HA LYS 89 -7.674 -8.382 -5.087 691 1HB LYS 89 2HB LYS 89 -8.614 -7.544 -7.136 692 2HB LYS 89 3HB LYS 89 -6.861 -7.470 -7.261 693 1HG LYS 89 2HG LYS 89 -8.399 -9.794 -8.358 694 2HG LYS 89 3HG LYS 89 -8.190 -8.305 -9.282 695 1HD LYS 89 2HD LYS 89 -6.259 -9.178 -9.988 696 2HD LYS 89 3HD LYS 89 -5.645 -8.860 -8.364 697 1HE LYS 89 2HE LYS 89 -5.615 -11.036 -7.827 698 2HE LYS 89 3HE LYS 89 -7.181 -11.337 -8.579 699 1HZ LYS 89 1HZ LYS 89 -4.508 -11.347 -9.837 700 2HZ LYS 89 2HZ LYS 89 -5.912 -11.174 -10.764 701 3HZ LYS 89 3HZ LYS 89 -5.678 -12.569 -9.835 702 H LEU 90 H LEU 90 -10.059 -8.642 -6.382 703 HA LEU 90 HA LEU 90 -10.837 -11.342 -6.813 704 1HB LEU 90 2HB LEU 90 -10.485 -11.309 -4.340 705 2HB LEU 90 3HB LEU 90 -11.765 -10.103 -4.228 706 HG LEU 90 HG LEU 90 -12.853 -12.278 -5.642 707 1HD1 LEU 90 1HD1 LEU 90 -11.367 -13.166 -3.174 708 2HD1 LEU 90 2HD1 LEU 90 -11.020 -13.660 -4.831 709 3HD1 LEU 90 3HD1 LEU 90 -12.544 -14.124 -4.074 710 1HD2 LEU 90 1HD2 LEU 90 -13.925 -10.659 -4.044 711 2HD2 LEU 90 2HD2 LEU 90 -13.234 -11.612 -2.730 712 3HD2 LEU 90 3HD2 LEU 90 -14.395 -12.347 -3.838 713 H LEU 91 H LEU 91 -11.207 -9.145 -8.351 714 HA LEU 91 HA LEU 91 -14.060 -9.075 -8.602 715 1HB LEU 91 2HB LEU 91 -13.457 -7.311 -6.858 716 2HB LEU 91 3HB LEU 91 -12.718 -6.420 -8.187 717 HG LEU 91 HG LEU 91 -15.523 -7.255 -8.585 718 1HD1 LEU 91 1HD1 LEU 91 -16.307 -5.269 -7.272 719 2HD1 LEU 91 2HD1 LEU 91 -14.709 -5.212 -6.531 720 3HD1 LEU 91 3HD1 LEU 91 -15.736 -6.627 -6.304 721 1HD2 LEU 91 1HD2 LEU 91 -13.869 -5.732 -9.990 722 2HD2 LEU 91 2HD2 LEU 91 -14.507 -4.486 -8.917 723 3HD2 LEU 91 3HD2 LEU 91 -15.604 -5.422 -9.933 724 H GLU 92 H GLU 92 -10.948 -7.717 -9.578 725 HA GLU 92 HA GLU 92 -11.754 -6.768 -12.105 726 1HB GLU 92 2HB GLU 92 -9.610 -6.218 -10.868 727 2HB GLU 92 3HB GLU 92 -8.999 -7.777 -11.403 728 1HG GLU 92 2HG GLU 92 -8.605 -7.052 -13.480 729 2HG GLU 92 3HG GLU 92 -10.101 -6.123 -13.548 730 H VAL 93 H VAL 93 -10.989 -9.934 -10.935 731 HA VAL 93 HA VAL 93 -10.781 -11.025 -13.637 732 HB VAL 93 HB VAL 93 -10.605 -12.537 -11.032 733 1HG1 VAL 93 1HG1 VAL 93 -11.003 -14.006 -12.858 734 2HG1 VAL 93 2HG1 VAL 93 -9.817 -13.176 -13.867 735 3HG1 VAL 93 3HG1 VAL 93 -9.286 -14.118 -12.473 736 1HG2 VAL 93 1HG2 VAL 93 -8.487 -11.084 -12.590 737 2HG2 VAL 93 2HG2 VAL 93 -8.871 -10.956 -10.874 738 3HG2 VAL 93 3HG2 VAL 93 -8.103 -12.415 -11.499 739 H LEU 94 H LEU 94 -12.148 -12.690 -14.395 740 HA LEU 94 HA LEU 94 -14.509 -13.401 -12.887 741 1HB LEU 94 2HB LEU 94 -14.535 -11.332 -14.936 742 2HB LEU 94 3HB LEU 94 -15.675 -12.636 -15.265 743 HG LEU 94 HG LEU 94 -15.784 -11.613 -12.520 744 1HD1 LEU 94 1HD1 LEU 94 -17.043 -9.807 -14.501 745 2HD1 LEU 94 2HD1 LEU 94 -15.311 -9.627 -14.222 746 3HD1 LEU 94 3HD1 LEU 94 -16.442 -9.472 -12.877 747 1HD2 LEU 94 1HD2 LEU 94 -18.116 -11.565 -14.320 748 2HD2 LEU 94 2HD2 LEU 94 -17.948 -12.223 -12.692 749 3HD2 LEU 94 3HD2 LEU 94 -17.362 -13.141 -14.080 750 H PHE 95 H PHE 95 -15.874 -14.972 -14.081 751 HA PHE 95 HA PHE 95 -14.656 -16.265 -16.372 752 1HB PHE 95 2HB PHE 95 -14.922 -17.655 -13.701 753 2HB PHE 95 3HB PHE 95 -14.640 -18.496 -15.221 754 HD1 PHE 95 HD1 PHE 95 -12.526 -18.063 -16.481 755 HD2 PHE 95 HD2 PHE 95 -13.163 -16.633 -12.522 756 HE1 PHE 95 HE1 PHE 95 -10.103 -17.734 -16.213 757 HE2 PHE 95 HE2 PHE 95 -10.741 -16.301 -12.249 758 HZ PHE 95 HZ PHE 95 -9.207 -16.851 -14.096 759 H ASN 96 H ASN 96 -16.742 -15.372 -17.127 760 HA ASN 96 HA ASN 96 -18.684 -17.400 -17.364 761 1HB ASN 96 2HB ASN 96 -20.553 -15.942 -16.270 762 2HB ASN 96 3HB ASN 96 -19.554 -16.973 -15.250 763 1HD2 ASN 96 1HD2 ASN 96 -19.204 -15.975 -13.408 764 2HD2 ASN 96 2HD2 ASN 96 -18.759 -14.316 -13.217 765 H GLY 97 H GLY 97 -17.195 -15.678 -19.065 766 1HA GLY 97 2HA GLY 97 -17.739 -14.802 -21.166 767 2HA GLY 97 3HA GLY 97 -19.399 -14.601 -20.627 768 HA PRO 98 HA PRO 98 -16.916 -10.818 -18.896 769 1HB PRO 98 2HB PRO 98 -14.409 -10.480 -19.882 770 2HB PRO 98 3HB PRO 98 -14.748 -11.409 -18.417 771 1HG PRO 98 2HG PRO 98 -14.258 -12.381 -21.206 772 2HG PRO 98 3HG PRO 98 -13.639 -13.021 -19.673 773 1HD PRO 98 2HD PRO 98 -15.728 -14.141 -20.981 774 2HD PRO 98 3HD PRO 98 -15.593 -14.153 -19.211 775 H LEU 99 H LEU 99 -16.288 -11.863 -22.210 776 HA LEU 99 HA LEU 99 -17.006 -9.157 -23.132 777 1HB LEU 99 2HB LEU 99 -14.888 -11.025 -23.957 778 2HB LEU 99 3HB LEU 99 -15.764 -10.253 -25.276 779 HG LEU 99 HG LEU 99 -15.151 -8.053 -24.399 780 1HD1 LEU 99 1HD1 LEU 99 -13.262 -8.136 -22.621 781 2HD1 LEU 99 2HD1 LEU 99 -13.964 -9.700 -22.207 782 3HD1 LEU 99 3HD1 LEU 99 -14.947 -8.238 -22.108 783 1HD2 LEU 99 1HD2 LEU 99 -12.562 -8.456 -24.597 784 2HD2 LEU 99 2HD2 LEU 99 -13.622 -8.663 -25.992 785 3HD2 LEU 99 3HD2 LEU 99 -13.072 -10.072 -25.084 786 H GLU 100 H GLU 100 -18.152 -9.052 -25.186 787 HA GLU 100 HA GLU 100 -20.067 -11.247 -25.414 788 1HB GLU 100 2HB GLU 100 -21.469 -9.693 -26.624 789 2HB GLU 100 3HB GLU 100 -20.905 -8.932 -25.143 790 1HG GLU 100 2HG GLU 100 -19.248 -7.678 -26.378 791 2HG GLU 100 3HG GLU 100 -19.711 -8.493 -27.871 792 H HIS 101 H HIS 101 -17.188 -10.752 -26.665 793 HA HIS 101 HA HIS 101 -16.088 -11.475 -28.521 794 1HB HIS 101 2HB HIS 101 -18.388 -13.158 -28.296 795 2HB HIS 101 3HB HIS 101 -18.101 -12.827 -30.002 796 HD1 HIS 101 HD1 HIS 101 -15.066 -12.865 -30.118 797 HD2 HIS 101 HD2 HIS 101 -17.304 -15.619 -27.957 798 HE1 HIS 101 HE1 HIS 101 -13.588 -14.884 -29.868 Start of MODEL 16 1 1H MET 1 H MET 1 2.092 -1.717 -1.109 2 HA MET 1 HA MET 1 2.872 -2.814 -3.481 3 1HB MET 1 2HB MET 1 1.344 -1.329 -4.647 4 2HB MET 1 3HB MET 1 2.067 0.073 -3.871 5 1HG MET 1 2HG MET 1 2.869 -0.075 -6.117 6 2HG MET 1 3HG MET 1 4.193 -0.436 -5.012 7 1HE MET 1 1HE MET 1 2.764 -2.494 -8.503 8 2HE MET 1 2HE MET 1 3.053 -0.825 -8.012 9 3HE MET 1 3HE MET 1 4.413 -1.874 -8.412 10 H LYS 2 H LYS 2 5.058 -2.431 -3.973 11 HA LYS 2 HA LYS 2 6.472 -0.868 -1.922 12 1HB LYS 2 2HB LYS 2 7.139 -3.365 -3.427 13 2HB LYS 2 3HB LYS 2 8.448 -2.343 -2.848 14 1HG LYS 2 2HG LYS 2 6.993 -2.518 -0.603 15 2HG LYS 2 3HG LYS 2 6.576 -4.060 -1.353 16 1HD LYS 2 2HD LYS 2 9.182 -4.197 -1.724 17 2HD LYS 2 3HD LYS 2 9.208 -3.071 -0.365 18 1HE LYS 2 2HE LYS 2 7.689 -5.667 -0.300 19 2HE LYS 2 3HE LYS 2 9.376 -5.540 0.198 20 1HZ LYS 2 1HZ LYS 2 8.362 -5.192 2.182 21 2HZ LYS 2 2HZ LYS 2 6.971 -4.512 1.501 22 3HZ LYS 2 3HZ LYS 2 8.382 -3.590 1.637 23 H VAL 3 H VAL 3 7.811 0.759 -2.476 24 HA VAL 3 HA VAL 3 8.418 1.148 -5.330 25 HB VAL 3 HB VAL 3 7.793 3.461 -3.512 26 1HG1 VAL 3 1HG1 VAL 3 8.897 4.270 -5.372 27 2HG1 VAL 3 2HG1 VAL 3 8.193 3.060 -6.447 28 3HG1 VAL 3 3HG1 VAL 3 7.209 4.404 -5.866 29 1HG2 VAL 3 1HG2 VAL 3 5.668 2.760 -3.462 30 2HG2 VAL 3 2HG2 VAL 3 5.612 3.244 -5.157 31 3HG2 VAL 3 3HG2 VAL 3 5.935 1.564 -4.730 32 H TYR 4 H TYR 4 10.375 2.164 -5.799 33 HA TYR 4 HA TYR 4 12.161 2.676 -3.521 34 1HB TYR 4 2HB TYR 4 13.296 0.813 -4.052 35 2HB TYR 4 3HB TYR 4 12.414 0.617 -5.563 36 HD1 TYR 4 HD1 TYR 4 13.430 1.121 -7.623 37 HD2 TYR 4 HD2 TYR 4 15.276 2.396 -4.008 38 HE1 TYR 4 HE1 TYR 4 15.438 1.774 -8.885 39 HE2 TYR 4 HE2 TYR 4 17.288 3.053 -5.260 40 HH TYR 4 HH TYR 4 17.820 3.736 -7.663 41 H VAL 5 H VAL 5 12.877 4.688 -3.614 42 HA VAL 5 HA VAL 5 13.172 5.966 -6.253 43 HB VAL 5 HB VAL 5 13.038 8.132 -4.955 44 1HG1 VAL 5 1HG1 VAL 5 10.897 6.248 -5.582 45 2HG1 VAL 5 2HG1 VAL 5 10.437 7.477 -4.402 46 3HG1 VAL 5 3HG1 VAL 5 11.057 7.958 -5.982 47 1HG2 VAL 5 1HG2 VAL 5 13.214 6.438 -2.762 48 2HG2 VAL 5 2HG2 VAL 5 12.844 8.162 -2.735 49 3HG2 VAL 5 3HG2 VAL 5 11.536 6.979 -2.767 50 H GLY 6 H GLY 6 15.263 5.709 -6.813 51 1HA GLY 6 2HA GLY 6 17.308 6.398 -4.797 52 2HA GLY 6 3HA GLY 6 17.573 5.294 -6.138 53 H ASN 7 H ASN 7 19.480 6.801 -6.339 54 HA ASN 7 HA ASN 7 20.595 8.375 -7.545 55 1HB ASN 7 2HB ASN 7 17.983 8.333 -9.054 56 2HB ASN 7 3HB ASN 7 19.332 9.357 -9.539 57 1HD2 ASN 7 1HD2 ASN 7 18.918 5.999 -8.454 58 2HD2 ASN 7 2HD2 ASN 7 19.842 5.296 -9.733 59 H LEU 8 H LEU 8 20.107 9.413 -5.281 60 HA LEU 8 HA LEU 8 18.691 11.960 -5.700 61 1HB LEU 8 2HB LEU 8 19.429 10.659 -3.085 62 2HB LEU 8 3HB LEU 8 18.443 12.104 -3.306 63 HG LEU 8 HG LEU 8 17.544 9.512 -4.491 64 1HD1 LEU 8 1HD1 LEU 8 17.476 8.534 -2.495 65 2HD1 LEU 8 2HD1 LEU 8 16.237 9.711 -2.060 66 3HD1 LEU 8 3HD1 LEU 8 17.927 10.024 -1.666 67 1HD2 LEU 8 1HD2 LEU 8 15.896 11.654 -3.193 68 2HD2 LEU 8 2HD2 LEU 8 15.425 10.476 -4.419 69 3HD2 LEU 8 3HD2 LEU 8 16.477 11.826 -4.850 70 H GLY 9 H GLY 9 20.246 13.287 -6.507 71 1HA GLY 9 2HA GLY 9 22.949 13.319 -5.937 72 2HA GLY 9 3HA GLY 9 22.031 14.732 -6.436 73 H THR 10 H THR 10 20.637 15.655 -4.555 74 HA THR 10 HA THR 10 21.384 15.343 -1.888 75 HB THR 10 HB THR 10 23.577 16.113 -2.352 76 HG1 THR 10 HG1 THR 10 23.546 18.202 -1.264 77 1HG2 THR 10 1HG2 THR 10 24.001 18.264 -3.527 78 2HG2 THR 10 2HG2 THR 10 22.281 18.353 -3.908 79 3HG2 THR 10 3HG2 THR 10 23.261 17.039 -4.557 80 H GLY 11 H GLY 11 20.316 17.508 -4.433 81 1HA GLY 11 2HA GLY 11 18.895 19.248 -2.609 82 2HA GLY 11 3HA GLY 11 18.880 19.335 -4.364 83 H ALA 12 H ALA 12 18.275 16.210 -3.788 84 HA ALA 12 HA ALA 12 15.377 16.601 -3.441 85 1HB ALA 12 1HB ALA 12 15.510 16.271 -5.738 86 2HB ALA 12 2HB ALA 12 16.810 15.087 -5.593 87 3HB ALA 12 3HB ALA 12 15.167 14.656 -5.118 88 H GLY 13 H GLY 13 15.018 15.722 -1.488 89 1HA GLY 13 2HA GLY 13 15.951 12.951 -1.075 90 2HA GLY 13 3HA GLY 13 16.054 14.146 0.209 91 H LYS 14 H LYS 14 14.590 13.679 1.704 92 HA LYS 14 HA LYS 14 12.258 12.175 1.274 93 1HB LYS 14 2HB LYS 14 13.208 12.281 3.474 94 2HB LYS 14 3HB LYS 14 13.052 14.032 3.518 95 1HG LYS 14 2HG LYS 14 10.492 12.806 3.057 96 2HG LYS 14 3HG LYS 14 11.256 12.140 4.503 97 1HD LYS 14 2HD LYS 14 11.342 15.084 4.142 98 2HD LYS 14 3HD LYS 14 9.786 14.361 4.558 99 1HE LYS 14 2HE LYS 14 10.559 13.567 6.597 100 2HE LYS 14 3HE LYS 14 12.248 13.637 6.097 101 1HZ LYS 14 1HZ LYS 14 11.258 15.418 7.703 102 2HZ LYS 14 2HZ LYS 14 10.726 16.138 6.268 103 3HZ LYS 14 3HZ LYS 14 12.377 15.864 6.515 104 H GLY 15 H GLY 15 12.736 15.681 1.610 105 1HA GLY 15 2HA GLY 15 10.025 16.412 1.432 106 2HA GLY 15 3HA GLY 15 11.389 17.454 1.055 107 H GLU 16 H GLU 16 12.500 16.074 -1.089 108 HA GLU 16 HA GLU 16 10.929 17.008 -3.223 109 1HB GLU 16 2HB GLU 16 13.529 16.078 -2.900 110 2HB GLU 16 3HB GLU 16 12.796 14.915 -3.995 111 1HG GLU 16 2HG GLU 16 13.508 16.397 -5.535 112 2HG GLU 16 3HG GLU 16 11.959 17.152 -5.167 113 H LEU 17 H LEU 17 11.721 13.636 -2.359 114 HA LEU 17 HA LEU 17 9.971 12.431 -4.176 115 1HB LEU 17 2HB LEU 17 10.454 10.432 -3.131 116 2HB LEU 17 3HB LEU 17 11.861 11.420 -2.740 117 HG LEU 17 HG LEU 17 10.426 11.909 -0.555 118 1HD1 LEU 17 1HD1 LEU 17 8.994 9.792 -1.842 119 2HD1 LEU 17 2HD1 LEU 17 8.627 10.635 -0.337 120 3HD1 LEU 17 3HD1 LEU 17 9.672 9.215 -0.319 121 1HD2 LEU 17 1HD2 LEU 17 12.722 10.865 -0.835 122 2HD2 LEU 17 2HD2 LEU 17 11.902 9.304 -0.827 123 3HD2 LEU 17 3HD2 LEU 17 11.795 10.364 0.579 124 H GLU 18 H GLU 18 9.430 13.753 -0.988 125 HA GLU 18 HA GLU 18 6.922 12.550 -0.486 126 1HB GLU 18 2HB GLU 18 8.159 13.543 1.326 127 2HB GLU 18 3HB GLU 18 8.145 15.114 0.537 128 1HG GLU 18 2HG GLU 18 5.740 15.262 0.824 129 2HG GLU 18 3HG GLU 18 5.717 13.663 1.565 130 H ARG 19 H ARG 19 7.746 15.799 -1.699 131 HA ARG 19 HA ARG 19 5.136 16.674 -2.155 132 1HB ARG 19 2HB ARG 19 7.518 17.864 -2.321 133 2HB ARG 19 3HB ARG 19 7.274 17.543 -4.033 134 1HG ARG 19 2HG ARG 19 5.994 19.337 -4.182 135 2HG ARG 19 3HG ARG 19 4.868 18.633 -3.019 136 1HD ARG 19 2HD ARG 19 5.580 20.787 -2.218 137 2HD ARG 19 3HD ARG 19 6.268 19.533 -1.187 138 HE ARG 19 HE ARG 19 8.196 20.021 -3.059 139 1HH1 ARG 19 1HH1 ARG 19 6.442 21.956 -0.758 140 2HH1 ARG 19 2HH1 ARG 19 7.732 23.090 -0.531 141 1HH2 ARG 19 1HH2 ARG 19 9.902 21.507 -2.770 142 2HH2 ARG 19 2HH2 ARG 19 9.700 22.834 -1.677 143 H ALA 20 H ALA 20 7.401 15.029 -4.337 144 HA ALA 20 HA ALA 20 5.777 15.047 -6.624 145 1HB ALA 20 1HB ALA 20 8.217 14.505 -6.549 146 2HB ALA 20 2HB ALA 20 7.785 12.920 -5.907 147 3HB ALA 20 3HB ALA 20 7.246 13.395 -7.518 148 H PHE 21 H PHE 21 6.433 12.237 -4.521 149 HA PHE 21 HA PHE 21 4.496 10.550 -5.502 150 1HB PHE 21 2HB PHE 21 5.813 10.824 -2.832 151 2HB PHE 21 3HB PHE 21 4.470 9.698 -3.003 152 HD1 PHE 21 HD1 PHE 21 4.954 7.529 -3.566 153 HD2 PHE 21 HD2 PHE 21 7.644 10.613 -4.738 154 HE1 PHE 21 HE1 PHE 21 6.488 5.838 -4.483 155 HE2 PHE 21 HE2 PHE 21 9.182 8.927 -5.658 156 HZ PHE 21 HZ PHE 21 8.604 6.536 -5.531 157 H SER 22 H SER 22 4.164 12.850 -2.809 158 HA SER 22 HA SER 22 1.491 12.300 -2.196 159 1HB SER 22 2HB SER 22 1.491 14.358 -0.968 160 2HB SER 22 3HB SER 22 3.107 13.670 -0.819 161 HG SER 22 HG SER 22 3.454 15.753 -1.353 162 H TYR 23 H TYR 23 2.912 14.578 -4.496 163 HA TYR 23 HA TYR 23 0.589 15.931 -5.242 164 1HB TYR 23 2HB TYR 23 3.274 15.524 -6.381 165 2HB TYR 23 3HB TYR 23 2.025 15.901 -7.562 166 HD1 TYR 23 HD1 TYR 23 2.329 17.122 -4.062 167 HD2 TYR 23 HD2 TYR 23 2.529 18.094 -8.199 168 HE1 TYR 23 HE1 TYR 23 2.513 19.507 -3.486 169 HE2 TYR 23 HE2 TYR 23 2.715 20.481 -7.635 170 HH TYR 23 HH TYR 23 2.021 21.712 -4.603 171 H TYR 24 H TYR 24 1.992 12.930 -6.484 172 HA TYR 24 HA TYR 24 0.005 12.587 -8.515 173 1HB TYR 24 2HB TYR 24 2.224 10.911 -7.406 174 2HB TYR 24 3HB TYR 24 0.998 10.156 -8.418 175 HD1 TYR 24 HD1 TYR 24 3.417 12.990 -8.380 176 HD2 TYR 24 HD2 TYR 24 1.204 10.224 -10.737 177 HE1 TYR 24 HE1 TYR 24 4.615 13.753 -10.388 178 HE2 TYR 24 HE2 TYR 24 2.397 10.978 -12.752 179 HH TYR 24 HH TYR 24 3.868 13.666 -13.119 180 H GLY 25 H GLY 25 0.367 11.614 -5.180 181 1HA GLY 25 2HA GLY 25 -2.283 11.196 -4.634 182 2HA GLY 25 3HA GLY 25 -1.718 9.645 -5.235 183 HA PRO 26 HA PRO 26 -0.682 10.434 -0.626 184 1HB PRO 26 2HB PRO 26 -2.754 9.121 0.536 185 2HB PRO 26 3HB PRO 26 -2.796 10.850 0.171 186 1HG PRO 26 2HG PRO 26 -3.967 8.562 -1.364 187 2HG PRO 26 3HG PRO 26 -4.679 10.144 -0.997 188 1HD PRO 26 2HD PRO 26 -3.572 9.567 -3.399 189 2HD PRO 26 3HD PRO 26 -3.530 11.196 -2.695 190 H LEU 27 H LEU 27 0.982 9.032 -0.510 191 HA LEU 27 HA LEU 27 0.608 6.220 -1.118 192 1HB LEU 27 2HB LEU 27 3.094 6.176 -0.430 193 2HB LEU 27 3HB LEU 27 2.632 6.961 -1.938 194 HG LEU 27 HG LEU 27 2.869 9.140 -0.925 195 1HD1 LEU 27 1HD1 LEU 27 2.116 8.681 1.311 196 2HD1 LEU 27 2HD1 LEU 27 3.744 9.353 1.381 197 3HD1 LEU 27 3HD1 LEU 27 3.496 7.621 1.601 198 1HD2 LEU 27 1HD2 LEU 27 5.105 9.187 -1.153 199 2HD2 LEU 27 2HD2 LEU 27 4.910 7.490 -1.592 200 3HD2 LEU 27 3HD2 LEU 27 5.361 7.929 0.056 201 H ARG 28 H ARG 28 2.094 4.810 0.531 202 HA ARG 28 HA ARG 28 0.582 4.839 2.985 203 1HB ARG 28 2HB ARG 28 1.783 2.865 1.469 204 2HB ARG 28 3HB ARG 28 2.838 2.986 2.871 205 1HG ARG 28 2HG ARG 28 1.096 2.445 4.359 206 2HG ARG 28 3HG ARG 28 -0.138 2.694 3.122 207 1HD ARG 28 2HD ARG 28 -0.048 0.503 2.739 208 2HD ARG 28 3HD ARG 28 1.547 0.773 2.039 209 HE ARG 28 HE ARG 28 2.064 0.536 4.683 210 1HH1 ARG 28 1HH1 ARG 28 0.310 -1.423 2.402 211 2HH1 ARG 28 2HH1 ARG 28 0.659 -2.913 3.214 212 1HH2 ARG 28 1HH2 ARG 28 2.531 -1.419 5.762 213 2HH2 ARG 28 2HH2 ARG 28 1.922 -2.909 5.126 214 H THR 29 H THR 29 4.042 5.030 2.155 215 HA THR 29 HA THR 29 4.571 6.989 4.144 216 HB THR 29 HB THR 29 4.377 5.131 5.694 217 HG1 THR 29 HG1 THR 29 7.163 5.473 5.434 218 1HG2 THR 29 1HG2 THR 29 6.482 3.790 3.992 219 2HG2 THR 29 2HG2 THR 29 4.802 3.282 4.171 220 3HG2 THR 29 3HG2 THR 29 5.901 3.198 5.548 221 H VAL 30 H VAL 30 6.811 7.650 4.182 222 HA VAL 30 HA VAL 30 8.279 6.772 1.780 223 HB VAL 30 HB VAL 30 9.238 8.985 1.615 224 1HG1 VAL 30 1HG1 VAL 30 6.242 8.942 1.897 225 2HG1 VAL 30 2HG1 VAL 30 7.131 10.317 1.238 226 3HG1 VAL 30 3HG1 VAL 30 7.199 8.752 0.428 227 1HG2 VAL 30 1HG2 VAL 30 8.056 9.289 4.299 228 2HG2 VAL 30 2HG2 VAL 30 9.527 9.986 3.620 229 3HG2 VAL 30 3HG2 VAL 30 7.959 10.702 3.248 230 H TRP 31 H TRP 31 10.576 6.708 1.892 231 HA TRP 31 HA TRP 31 11.857 6.977 4.477 232 1HB TRP 31 2HB TRP 31 10.789 4.537 3.961 233 2HB TRP 31 3HB TRP 31 12.387 4.343 3.245 234 HD1 TRP 31 HD1 TRP 31 10.964 5.622 6.634 235 HE1 TRP 31 HE1 TRP 31 12.523 4.786 8.504 236 HE3 TRP 31 HE3 TRP 31 14.457 3.230 3.768 237 HZ2 TRP 31 HZ2 TRP 31 14.917 3.307 8.733 238 HZ3 TRP 31 HZ3 TRP 31 16.350 2.130 4.890 239 HH2 TRP 31 HH2 TRP 31 16.574 2.170 7.321 240 H ILE 32 H ILE 32 14.159 6.931 4.359 241 HA ILE 32 HA ILE 32 15.313 6.884 1.666 242 HB ILE 32 HB ILE 32 15.726 9.144 3.626 243 1HG1 ILE 32 2HG1 ILE 32 13.933 8.749 1.339 244 2HG1 ILE 32 3HG1 ILE 32 13.845 9.921 2.650 245 1HG2 ILE 32 1HG2 ILE 32 16.883 8.789 0.866 246 2HG2 ILE 32 2HG2 ILE 32 17.189 10.119 1.981 247 3HG2 ILE 32 3HG2 ILE 32 17.759 8.496 2.368 248 1HD1 ILE 32 1HD1 ILE 32 15.449 10.128 0.118 249 2HD1 ILE 32 2HD1 ILE 32 14.070 11.113 0.610 250 3HD1 ILE 32 3HD1 ILE 32 15.601 11.243 1.475 251 H ALA 33 H ALA 33 17.438 6.238 1.566 252 HA ALA 33 HA ALA 33 18.563 5.222 4.085 253 1HB ALA 33 1HB ALA 33 19.511 4.381 1.373 254 2HB ALA 33 2HB ALA 33 19.585 3.507 2.903 255 3HB ALA 33 3HB ALA 33 18.043 3.694 2.068 256 H ARG 34 H ARG 34 19.996 6.585 4.938 257 HA ARG 34 HA ARG 34 21.472 8.469 3.369 258 1HB ARG 34 2HB ARG 34 21.484 7.706 6.279 259 2HB ARG 34 3HB ARG 34 22.666 8.831 5.625 260 1HG ARG 34 2HG ARG 34 21.073 10.450 5.176 261 2HG ARG 34 3HG ARG 34 19.746 9.286 5.184 262 1HD ARG 34 2HD ARG 34 21.070 9.275 7.728 263 2HD ARG 34 3HD ARG 34 20.623 10.925 7.294 264 HE ARG 34 HE ARG 34 18.420 9.295 6.798 265 1HH1 ARG 34 1HH1 ARG 34 20.323 10.374 9.506 266 2HH1 ARG 34 2HH1 ARG 34 19.010 10.279 10.633 267 1HH2 ARG 34 1HH2 ARG 34 16.685 9.165 8.272 268 2HH2 ARG 34 2HH2 ARG 34 16.942 9.590 9.930 269 H ASN 35 H ASN 35 22.027 5.262 4.540 270 HA ASN 35 HA ASN 35 24.759 5.076 4.710 271 1HB ASN 35 2HB ASN 35 22.563 3.231 4.144 272 2HB ASN 35 3HB ASN 35 24.082 2.736 3.403 273 1HD2 ASN 35 1HD2 ASN 35 24.129 0.941 4.804 274 2HD2 ASN 35 2HD2 ASN 35 24.610 1.110 6.455 275 HA PRO 36 HA PRO 36 25.116 4.301 -0.040 276 1HB PRO 36 2HB PRO 36 22.898 4.715 -1.550 277 2HB PRO 36 3HB PRO 36 23.283 3.154 -0.815 278 1HG PRO 36 2HG PRO 36 21.393 5.276 0.126 279 2HG PRO 36 3HG PRO 36 21.171 3.517 0.087 280 1HD PRO 36 2HD PRO 36 21.831 4.852 2.348 281 2HD PRO 36 3HD PRO 36 22.379 3.195 2.023 282 HA PRO 37 HA PRO 37 25.718 8.475 -1.284 283 1HB PRO 37 2HB PRO 37 25.809 8.305 -3.992 284 2HB PRO 37 3HB PRO 37 27.099 7.699 -2.948 285 1HG PRO 37 2HG PRO 37 24.875 6.199 -4.276 286 2HG PRO 37 3HG PRO 37 26.586 5.761 -4.126 287 1HD PRO 37 2HD PRO 37 24.669 4.713 -2.527 288 2HD PRO 37 3HD PRO 37 26.330 4.993 -1.968 289 H GLY 38 H GLY 38 22.943 6.783 -2.510 290 1HA GLY 38 2HA GLY 38 21.190 8.932 -2.203 291 2HA GLY 38 3HA GLY 38 21.695 8.914 -3.886 292 H PHE 39 H PHE 39 20.448 6.725 -1.369 293 HA PHE 39 HA PHE 39 18.666 5.568 -3.399 294 1HB PHE 39 2HB PHE 39 20.825 4.233 -2.080 295 2HB PHE 39 3HB PHE 39 19.308 3.532 -1.523 296 HD1 PHE 39 HD1 PHE 39 20.503 4.825 -4.815 297 HD2 PHE 39 HD2 PHE 39 18.861 1.571 -2.616 298 HE1 PHE 39 HE1 PHE 39 20.360 3.502 -6.885 299 HE2 PHE 39 HE2 PHE 39 18.716 0.243 -4.682 300 HZ PHE 39 HZ PHE 39 19.467 1.208 -6.820 301 H ALA 40 H ALA 40 16.621 5.761 -2.799 302 HA ALA 40 HA ALA 40 15.971 5.660 0.072 303 1HB ALA 40 1HB ALA 40 14.004 7.253 -0.975 304 2HB ALA 40 2HB ALA 40 15.424 7.821 -0.096 305 3HB ALA 40 3HB ALA 40 15.435 7.781 -1.859 306 H PHE 41 H PHE 41 13.730 5.043 0.529 307 HA PHE 41 HA PHE 41 12.515 3.432 -1.612 308 1HB PHE 41 2HB PHE 41 13.479 2.570 1.035 309 2HB PHE 41 3HB PHE 41 11.859 2.016 0.627 310 HD1 PHE 41 HD1 PHE 41 11.642 0.036 -0.513 311 HD2 PHE 41 HD2 PHE 41 15.257 2.251 -0.891 312 HE1 PHE 41 HE1 PHE 41 12.603 -1.772 -1.878 313 HE2 PHE 41 HE2 PHE 41 16.223 0.447 -2.257 314 HZ PHE 41 HZ PHE 41 14.896 -1.567 -2.753 315 H VAL 42 H VAL 42 10.271 3.272 -1.589 316 HA VAL 42 HA VAL 42 8.834 4.818 0.449 317 HB VAL 42 HB VAL 42 8.511 5.180 -2.532 318 1HG1 VAL 42 1HG1 VAL 42 6.815 6.929 -1.773 319 2HG1 VAL 42 2HG1 VAL 42 6.322 5.236 -1.689 320 3HG1 VAL 42 3HG1 VAL 42 6.817 6.087 -0.224 321 1HG2 VAL 42 1HG2 VAL 42 9.324 7.352 -2.253 322 2HG2 VAL 42 2HG2 VAL 42 9.099 7.312 -0.505 323 3HG2 VAL 42 3HG2 VAL 42 10.390 6.369 -1.249 324 H GLU 43 H GLU 43 6.719 4.164 0.832 325 HA GLU 43 HA GLU 43 5.947 1.635 -0.468 326 1HB GLU 43 2HB GLU 43 6.531 1.820 2.107 327 2HB GLU 43 3HB GLU 43 4.876 2.404 2.211 328 1HG GLU 43 2HG GLU 43 3.978 0.384 1.697 329 2HG GLU 43 3HG GLU 43 5.348 -0.097 0.697 330 H PHE 44 H PHE 44 4.168 1.695 -1.658 331 HA PHE 44 HA PHE 44 2.307 3.938 -1.294 332 1HB PHE 44 2HB PHE 44 3.474 2.744 -3.604 333 2HB PHE 44 3HB PHE 44 1.735 2.473 -3.673 334 HD1 PHE 44 HD1 PHE 44 4.187 4.573 -4.766 335 HD2 PHE 44 HD2 PHE 44 0.405 4.724 -2.819 336 HE1 PHE 44 HE1 PHE 44 3.867 6.875 -5.573 337 HE2 PHE 44 HE2 PHE 44 0.079 7.026 -3.623 338 HZ PHE 44 HZ PHE 44 1.811 8.105 -5.002 339 H GLU 45 H GLU 45 0.408 3.554 -0.381 340 HA GLU 45 HA GLU 45 -0.448 1.131 0.607 341 1HB GLU 45 2HB GLU 45 -1.331 3.543 1.021 342 2HB GLU 45 3HB GLU 45 -2.437 3.189 -0.299 343 1HG GLU 45 2HG GLU 45 -3.719 1.877 0.968 344 2HG GLU 45 3HG GLU 45 -2.335 1.097 1.732 345 H ASP 46 H ASP 46 -0.986 2.521 -2.568 346 HA ASP 46 HA ASP 46 -2.252 -0.009 -3.389 347 1HB ASP 46 2HB ASP 46 -3.351 2.610 -3.505 348 2HB ASP 46 3HB ASP 46 -3.017 2.102 -5.158 349 HA PRO 47 HA PRO 47 0.914 -0.353 -6.414 350 1HB PRO 47 2HB PRO 47 -0.386 -1.793 -8.313 351 2HB PRO 47 3HB PRO 47 0.147 -2.488 -6.778 352 1HG PRO 47 2HG PRO 47 -2.570 -1.516 -7.575 353 2HG PRO 47 3HG PRO 47 -2.124 -2.979 -6.678 354 1HD PRO 47 2HD PRO 47 -3.051 -0.748 -5.456 355 2HD PRO 47 3HD PRO 47 -1.878 -1.838 -4.691 356 H ARG 48 H ARG 48 -2.280 0.396 -7.822 357 HA ARG 48 HA ARG 48 -1.471 1.464 -10.227 358 1HB ARG 48 2HB ARG 48 -3.798 1.116 -9.822 359 2HB ARG 48 3HB ARG 48 -3.787 2.214 -8.448 360 1HG ARG 48 2HG ARG 48 -3.337 4.089 -9.973 361 2HG ARG 48 3HG ARG 48 -3.416 2.972 -11.338 362 1HD ARG 48 2HD ARG 48 -5.518 4.286 -10.860 363 2HD ARG 48 3HD ARG 48 -5.710 2.537 -10.970 364 HE ARG 48 HE ARG 48 -6.282 2.485 -8.745 365 1HH1 ARG 48 1HH1 ARG 48 -4.956 5.604 -9.539 366 2HH1 ARG 48 2HH1 ARG 48 -5.399 6.323 -8.026 367 1HH2 ARG 48 1HH2 ARG 48 -6.870 3.419 -6.749 368 2HH2 ARG 48 2HH2 ARG 48 -6.486 5.078 -6.440 369 H ASP 49 H ASP 49 -1.845 3.150 -7.123 370 HA ASP 49 HA ASP 49 -1.182 5.718 -8.014 371 1HB ASP 49 2HB ASP 49 -0.544 4.603 -5.280 372 2HB ASP 49 3HB ASP 49 -0.845 6.284 -5.709 373 H ALA 50 H ALA 50 0.836 3.017 -7.029 374 HA ALA 50 HA ALA 50 3.276 4.515 -7.007 375 1HB ALA 50 1HB ALA 50 3.087 1.532 -7.285 376 2HB ALA 50 2HB ALA 50 4.358 2.493 -6.528 377 3HB ALA 50 3HB ALA 50 2.781 2.348 -5.751 378 H GLU 51 H GLU 51 1.638 2.408 -9.324 379 HA GLU 51 HA GLU 51 3.682 2.236 -11.228 380 1HB GLU 51 2HB GLU 51 1.090 1.294 -11.001 381 2HB GLU 51 3HB GLU 51 1.005 2.373 -12.386 382 1HG GLU 51 2HG GLU 51 2.139 0.973 -13.694 383 2HG GLU 51 3HG GLU 51 3.326 0.617 -12.441 384 H ASP 52 H ASP 52 1.031 4.573 -10.905 385 HA ASP 52 HA ASP 52 1.793 6.082 -13.206 386 1HB ASP 52 2HB ASP 52 -0.501 5.940 -11.886 387 2HB ASP 52 3HB ASP 52 0.183 7.307 -11.011 388 H ALA 53 H ALA 53 2.134 6.603 -9.704 389 HA ALA 53 HA ALA 53 3.441 9.061 -9.797 390 1HB ALA 53 1HB ALA 53 4.180 8.603 -7.548 391 2HB ALA 53 2HB ALA 53 2.527 8.020 -7.750 392 3HB ALA 53 3HB ALA 53 3.872 6.879 -7.761 393 H VAL 54 H VAL 54 4.694 5.795 -10.156 394 HA VAL 54 HA VAL 54 7.450 6.571 -10.082 395 HB VAL 54 HB VAL 54 6.002 4.045 -10.781 396 1HG1 VAL 54 1HG1 VAL 54 8.281 3.028 -11.186 397 2HG1 VAL 54 2HG1 VAL 54 7.655 4.059 -12.474 398 3HG1 VAL 54 3HG1 VAL 54 8.885 4.674 -11.369 399 1HG2 VAL 54 1HG2 VAL 54 8.032 3.462 -9.047 400 2HG2 VAL 54 2HG2 VAL 54 7.600 5.104 -8.571 401 3HG2 VAL 54 3HG2 VAL 54 6.373 3.837 -8.580 402 H ARG 55 H ARG 55 5.357 5.374 -12.715 403 HA ARG 55 HA ARG 55 7.090 5.712 -14.826 404 1HB ARG 55 2HB ARG 55 5.247 4.748 -15.683 405 2HB ARG 55 3HB ARG 55 4.193 5.503 -14.494 406 1HG ARG 55 2HG ARG 55 4.126 7.540 -15.800 407 2HG ARG 55 3HG ARG 55 5.257 6.852 -16.966 408 1HD ARG 55 2HD ARG 55 2.680 5.463 -16.346 409 2HD ARG 55 3HD ARG 55 2.715 6.814 -17.479 410 HE ARG 55 HE ARG 55 4.690 5.167 -18.361 411 1HH1 ARG 55 1HH1 ARG 55 1.307 4.750 -17.654 412 2HH1 ARG 55 2HH1 ARG 55 1.080 3.503 -18.836 413 1HH2 ARG 55 1HH2 ARG 55 4.404 3.526 -19.920 414 2HH2 ARG 55 2HH2 ARG 55 2.842 2.807 -20.124 415 H GLY 56 H GLY 56 5.216 8.128 -13.120 416 1HA GLY 56 2HA GLY 56 5.727 10.208 -15.052 417 2HA GLY 56 3HA GLY 56 4.979 10.407 -13.474 418 H LEU 57 H LEU 57 6.727 9.759 -11.655 419 HA LEU 57 HA LEU 57 8.543 11.863 -11.563 420 1HB LEU 57 2HB LEU 57 8.102 9.380 -10.017 421 2HB LEU 57 3HB LEU 57 9.673 10.157 -9.832 422 HG LEU 57 HG LEU 57 8.643 12.166 -9.005 423 1HD1 LEU 57 1HD1 LEU 57 6.655 12.633 -9.945 424 2HD1 LEU 57 2HD1 LEU 57 6.013 11.748 -8.561 425 3HD1 LEU 57 3HD1 LEU 57 6.214 10.933 -10.112 426 1HD2 LEU 57 1HD2 LEU 57 8.936 10.928 -7.137 427 2HD2 LEU 57 2HD2 LEU 57 8.030 9.554 -7.771 428 3HD2 LEU 57 3HD2 LEU 57 7.172 10.952 -7.120 429 H ASP 58 H ASP 58 8.975 8.534 -12.633 430 HA ASP 58 HA ASP 58 11.811 8.908 -13.090 431 1HB ASP 58 2HB ASP 58 11.172 6.729 -12.350 432 2HB ASP 58 3HB ASP 58 9.931 6.601 -13.594 433 H GLY 59 H GLY 59 8.834 8.772 -14.958 434 1HA GLY 59 2HA GLY 59 9.901 8.562 -17.529 435 2HA GLY 59 3HA GLY 59 8.379 9.346 -17.132 436 H LYS 60 H LYS 60 9.364 11.439 -15.536 437 HA LYS 60 HA LYS 60 11.198 12.905 -17.284 438 1HB LYS 60 2HB LYS 60 8.371 13.362 -17.128 439 2HB LYS 60 3HB LYS 60 9.215 14.754 -16.465 440 1HG LYS 60 2HG LYS 60 9.745 13.548 -19.172 441 2HG LYS 60 3HG LYS 60 8.741 14.967 -18.870 442 1HD LYS 60 2HD LYS 60 11.561 14.887 -17.875 443 2HD LYS 60 3HD LYS 60 11.232 15.270 -19.566 444 1HE LYS 60 2HE LYS 60 9.617 16.712 -17.556 445 2HE LYS 60 3HE LYS 60 11.333 17.115 -17.612 446 1HZ LYS 60 1HZ LYS 60 10.020 18.538 -19.067 447 2HZ LYS 60 2HZ LYS 60 9.476 17.188 -19.929 448 3HZ LYS 60 3HZ LYS 60 11.115 17.606 -19.960 449 H VAL 61 H VAL 61 10.993 15.383 -16.053 450 HA VAL 61 HA VAL 61 12.181 14.780 -13.442 451 HB VAL 61 HB VAL 61 12.312 17.296 -15.110 452 1HG1 VAL 61 1HG1 VAL 61 14.314 17.493 -13.281 453 2HG1 VAL 61 2HG1 VAL 61 12.735 18.265 -13.127 454 3HG1 VAL 61 3HG1 VAL 61 13.046 16.724 -12.328 455 1HG2 VAL 61 1HG2 VAL 61 13.757 15.961 -16.236 456 2HG2 VAL 61 2HG2 VAL 61 14.846 16.457 -14.941 457 3HG2 VAL 61 3HG2 VAL 61 14.026 14.898 -14.855 458 H ILE 62 H ILE 62 11.471 15.692 -11.552 459 HA ILE 62 HA ILE 62 8.920 17.162 -11.705 460 HB ILE 62 HB ILE 62 8.491 15.034 -10.716 461 1HG1 ILE 62 2HG1 ILE 62 7.701 15.666 -8.491 462 2HG1 ILE 62 3HG1 ILE 62 8.775 17.061 -8.486 463 1HG2 ILE 62 1HG2 ILE 62 10.160 13.907 -9.780 464 2HG2 ILE 62 2HG2 ILE 62 11.132 15.370 -9.634 465 3HG2 ILE 62 3HG2 ILE 62 9.993 14.938 -8.359 466 1HD1 ILE 62 1HD1 ILE 62 6.466 16.628 -10.365 467 2HD1 ILE 62 2HD1 ILE 62 6.482 17.701 -8.965 468 3HD1 ILE 62 3HD1 ILE 62 7.534 18.030 -10.341 469 H CYS 63 H CYS 63 9.295 19.246 -11.317 470 HA CYS 63 HA CYS 63 10.092 21.168 -10.393 471 1HB CYS 63 2HB CYS 63 8.906 19.876 -8.429 472 2HB CYS 63 3HB CYS 63 10.545 19.736 -7.805 473 HG CYS 63 HG CYS 63 8.644 22.028 -7.024 474 H GLY 64 H GLY 64 12.022 20.063 -11.836 475 1HA GLY 64 2HA GLY 64 14.295 20.115 -12.160 476 2HA GLY 64 3HA GLY 64 14.396 21.059 -10.681 477 H SER 65 H SER 65 12.972 17.885 -10.679 478 HA SER 65 HA SER 65 15.403 16.812 -9.409 479 1HB SER 65 2HB SER 65 13.552 17.387 -7.773 480 2HB SER 65 3HB SER 65 12.593 16.121 -8.538 481 HG SER 65 HG SER 65 14.458 14.719 -8.048 482 H ARG 66 H ARG 66 16.099 15.613 -11.127 483 HA ARG 66 HA ARG 66 14.260 13.851 -12.520 484 1HB ARG 66 2HB ARG 66 16.179 13.310 -13.941 485 2HB ARG 66 3HB ARG 66 15.962 15.050 -13.806 486 1HG ARG 66 2HG ARG 66 17.704 14.763 -11.845 487 2HG ARG 66 3HG ARG 66 18.134 13.318 -12.762 488 1HD ARG 66 2HD ARG 66 17.915 15.283 -14.694 489 2HD ARG 66 3HD ARG 66 18.664 16.118 -13.333 490 HE ARG 66 HE ARG 66 20.007 13.707 -13.672 491 1HH1 ARG 66 1HH1 ARG 66 19.471 16.663 -15.431 492 2HH1 ARG 66 2HH1 ARG 66 20.982 16.587 -16.276 493 1HH2 ARG 66 1HH2 ARG 66 21.999 13.596 -14.778 494 2HH2 ARG 66 2HH2 ARG 66 22.419 14.842 -15.904 495 H VAL 67 H VAL 67 14.288 13.110 -9.931 496 HA VAL 67 HA VAL 67 16.234 11.251 -9.146 497 HB VAL 67 HB VAL 67 14.472 12.263 -7.663 498 1HG1 VAL 67 1HG1 VAL 67 12.575 10.105 -8.115 499 2HG1 VAL 67 2HG1 VAL 67 12.295 11.835 -7.912 500 3HG1 VAL 67 3HG1 VAL 67 12.719 11.189 -9.498 501 1HG2 VAL 67 1HG2 VAL 67 15.929 10.266 -7.105 502 2HG2 VAL 67 2HG2 VAL 67 14.447 10.437 -6.164 503 3HG2 VAL 67 3HG2 VAL 67 14.527 9.261 -7.476 504 H ARG 68 H ARG 68 16.096 8.932 -9.031 505 HA ARG 68 HA ARG 68 14.681 7.787 -11.344 506 1HB ARG 68 2HB ARG 68 17.297 7.741 -11.050 507 2HB ARG 68 3HB ARG 68 16.946 6.386 -9.986 508 1HG ARG 68 2HG ARG 68 15.567 6.227 -12.548 509 2HG ARG 68 3HG ARG 68 17.326 6.241 -12.690 510 1HD ARG 68 2HD ARG 68 17.515 4.358 -11.210 511 2HD ARG 68 3HD ARG 68 15.788 4.408 -10.858 512 HE ARG 68 HE ARG 68 15.410 3.237 -12.781 513 1HH1 ARG 68 1HH1 ARG 68 18.589 4.649 -12.933 514 2HH1 ARG 68 2HH1 ARG 68 19.019 3.843 -14.405 515 1HH2 ARG 68 1HH2 ARG 68 15.965 2.170 -14.719 516 2HH2 ARG 68 2HH2 ARG 68 17.525 2.434 -15.420 517 H VAL 69 H VAL 69 12.803 6.976 -10.619 518 HA VAL 69 HA VAL 69 12.849 5.324 -8.181 519 HB VAL 69 HB VAL 69 11.304 7.143 -7.937 520 1HG1 VAL 69 1HG1 VAL 69 10.047 6.221 -10.521 521 2HG1 VAL 69 2HG1 VAL 69 9.455 7.523 -9.487 522 3HG1 VAL 69 3HG1 VAL 69 11.011 7.682 -10.303 523 1HG2 VAL 69 1HG2 VAL 69 9.768 4.628 -8.585 524 2HG2 VAL 69 2HG2 VAL 69 10.609 4.949 -7.068 525 3HG2 VAL 69 3HG2 VAL 69 9.230 5.943 -7.539 526 H GLU 70 H GLU 70 11.982 3.269 -8.197 527 HA GLU 70 HA GLU 70 10.942 2.225 -10.725 528 1HB GLU 70 2HB GLU 70 13.573 1.809 -9.993 529 2HB GLU 70 3HB GLU 70 12.769 0.354 -9.422 530 1HG GLU 70 2HG GLU 70 11.933 -0.114 -11.622 531 2HG GLU 70 3HG GLU 70 12.557 1.419 -12.228 532 H LEU 71 H LEU 71 10.053 -0.017 -10.443 533 HA LEU 71 HA LEU 71 8.770 -0.220 -7.804 534 1HB LEU 71 2HB LEU 71 7.885 -0.896 -10.574 535 2HB LEU 71 3HB LEU 71 7.182 -1.754 -9.204 536 HG LEU 71 HG LEU 71 7.122 1.243 -9.537 537 1HD1 LEU 71 1HD1 LEU 71 5.554 -0.809 -10.809 538 2HD1 LEU 71 2HD1 LEU 71 5.520 0.938 -11.041 539 3HD1 LEU 71 3HD1 LEU 71 4.546 0.199 -9.770 540 1HD2 LEU 71 1HD2 LEU 71 6.093 -0.682 -7.513 541 2HD2 LEU 71 2HD2 LEU 71 5.138 0.755 -7.879 542 3HD2 LEU 71 3HD2 LEU 71 6.794 0.921 -7.294 543 H SER 72 H SER 72 9.641 -1.717 -6.542 544 HA SER 72 HA SER 72 11.272 -3.833 -7.523 545 1HB SER 72 2HB SER 72 11.468 -2.707 -5.255 546 2HB SER 72 3HB SER 72 10.062 -3.648 -4.760 547 HG SER 72 HG SER 72 11.234 -5.529 -5.138 548 H THR 73 H THR 73 7.921 -3.568 -6.537 549 HA THR 73 HA THR 73 7.473 -6.296 -7.526 550 HB THR 73 HB THR 73 5.764 -5.455 -5.259 551 HG1 THR 73 HG1 THR 73 8.405 -6.417 -4.800 552 1HG2 THR 73 1HG2 THR 73 7.049 -8.064 -5.170 553 2HG2 THR 73 2HG2 THR 73 6.214 -7.775 -6.697 554 3HG2 THR 73 3HG2 THR 73 5.335 -7.650 -5.173 555 H GLY 74 H GLY 74 5.054 -6.700 -7.836 556 1HA GLY 74 2HA GLY 74 2.999 -6.076 -8.687 557 2HA GLY 74 3HA GLY 74 3.363 -4.418 -8.231 558 H MET 75 H MET 75 5.571 -6.207 -10.228 559 HA MET 75 HA MET 75 4.739 -4.568 -12.532 560 1HB MET 75 2HB MET 75 7.397 -5.189 -11.389 561 2HB MET 75 3HB MET 75 7.290 -5.215 -13.144 562 1HG MET 75 2HG MET 75 6.141 -2.911 -12.856 563 2HG MET 75 3HG MET 75 6.888 -2.937 -11.260 564 1HE MET 75 1HE MET 75 8.778 -3.016 -15.341 565 2HE MET 75 2HE MET 75 7.078 -3.016 -14.871 566 3HE MET 75 3HE MET 75 7.972 -1.497 -14.946 567 HA PRO 76 HA PRO 76 3.971 -8.900 -13.821 568 1HB PRO 76 2HB PRO 76 1.897 -8.263 -15.454 569 2HB PRO 76 3HB PRO 76 1.709 -8.512 -13.714 570 1HG PRO 76 2HG PRO 76 1.943 -5.951 -15.247 571 2HG PRO 76 3HG PRO 76 0.851 -6.359 -13.911 572 1HD PRO 76 2HD PRO 76 3.106 -4.903 -13.556 573 2HD PRO 76 3HD PRO 76 2.469 -5.996 -12.310 574 H ARG 77 H ARG 77 5.364 -9.625 -15.296 575 HA ARG 77 HA ARG 77 5.361 -8.428 -17.961 576 1HB ARG 77 2HB ARG 77 7.362 -7.807 -16.173 577 2HB ARG 77 3HB ARG 77 8.054 -9.151 -17.072 578 1HG ARG 77 2HG ARG 77 8.034 -7.996 -19.073 579 2HG ARG 77 3HG ARG 77 6.789 -6.871 -18.527 580 1HD ARG 77 2HD ARG 77 8.492 -6.015 -16.858 581 2HD ARG 77 3HD ARG 77 9.693 -6.952 -17.747 582 HE ARG 77 HE ARG 77 8.555 -4.455 -18.520 583 1HH1 ARG 77 1HH1 ARG 77 9.842 -7.447 -19.750 584 2HH1 ARG 77 2HH1 ARG 77 10.326 -6.766 -21.268 585 1HH2 ARG 77 1HH2 ARG 77 9.188 -3.547 -20.514 586 2HH2 ARG 77 2HH2 ARG 77 9.955 -4.547 -21.701 587 H ARG 78 H ARG 78 6.946 -9.828 -19.396 588 HA ARG 78 HA ARG 78 6.011 -12.566 -19.102 589 1HB ARG 78 2HB ARG 78 6.884 -12.869 -21.390 590 2HB ARG 78 3HB ARG 78 5.761 -11.520 -21.280 591 1HG ARG 78 2HG ARG 78 7.713 -9.986 -21.150 592 2HG ARG 78 3HG ARG 78 8.762 -11.375 -21.441 593 1HD ARG 78 2HD ARG 78 8.331 -10.156 -23.507 594 2HD ARG 78 3HD ARG 78 7.642 -11.777 -23.574 595 HE ARG 78 HE ARG 78 5.703 -9.936 -22.668 596 1HH1 ARG 78 1HH1 ARG 78 7.415 -10.897 -25.543 597 2HH1 ARG 78 2HH1 ARG 78 6.152 -10.398 -26.619 598 1HH2 ARG 78 1HH2 ARG 78 4.033 -9.275 -24.075 599 2HH2 ARG 78 2HH2 ARG 78 4.230 -9.475 -25.783 600 H SER 79 H SER 79 9.073 -10.802 -19.366 601 HA SER 79 HA SER 79 10.432 -13.172 -18.267 602 1HB SER 79 2HB SER 79 12.468 -12.303 -19.590 603 2HB SER 79 3HB SER 79 11.196 -13.126 -20.493 604 HG SER 79 HG SER 79 12.079 -10.571 -20.699 605 H ARG 80 H ARG 80 12.850 -12.285 -17.682 606 HA ARG 80 HA ARG 80 14.087 -11.098 -16.188 607 1HB ARG 80 2HB ARG 80 12.157 -8.816 -16.583 608 2HB ARG 80 3HB ARG 80 13.846 -8.732 -16.101 609 1HG ARG 80 2HG ARG 80 14.183 -9.894 -18.462 610 2HG ARG 80 3HG ARG 80 12.651 -9.080 -18.787 611 1HD ARG 80 2HD ARG 80 13.578 -6.952 -18.309 612 2HD ARG 80 3HD ARG 80 15.032 -7.666 -17.615 613 HE ARG 80 HE ARG 80 14.557 -7.101 -20.360 614 1HH1 ARG 80 1HH1 ARG 80 16.123 -9.357 -18.220 615 2HH1 ARG 80 2HH1 ARG 80 17.324 -9.823 -19.378 616 1HH2 ARG 80 1HH2 ARG 80 16.133 -7.706 -21.893 617 2HH2 ARG 80 2HH2 ARG 80 17.329 -8.882 -21.467 618 H PHE 81 H PHE 81 11.379 -12.439 -15.520 619 HA PHE 81 HA PHE 81 11.325 -11.493 -12.745 620 1HB PHE 81 2HB PHE 81 9.012 -11.700 -14.634 621 2HB PHE 81 3HB PHE 81 8.755 -12.017 -12.922 622 HD1 PHE 81 HD1 PHE 81 9.327 -10.223 -11.259 623 HD2 PHE 81 HD2 PHE 81 9.180 -9.512 -15.452 624 HE1 PHE 81 HE1 PHE 81 9.141 -7.806 -10.839 625 HE2 PHE 81 HE2 PHE 81 8.994 -7.094 -15.039 626 HZ PHE 81 HZ PHE 81 8.975 -6.238 -12.730 627 H ASP 82 H ASP 82 11.756 -13.134 -11.444 628 HA ASP 82 HA ASP 82 11.401 -15.866 -12.387 629 1HB ASP 82 2HB ASP 82 13.410 -14.717 -10.979 630 2HB ASP 82 3HB ASP 82 12.451 -15.388 -9.663 631 H ARG 83 H ARG 83 10.352 -13.800 -9.704 632 HA ARG 83 HA ARG 83 8.423 -15.860 -8.903 633 1HB ARG 83 2HB ARG 83 9.859 -13.703 -7.502 634 2HB ARG 83 3HB ARG 83 8.173 -13.888 -7.037 635 1HG ARG 83 2HG ARG 83 8.791 -16.406 -6.820 636 2HG ARG 83 3HG ARG 83 10.443 -15.793 -6.722 637 1HD ARG 83 2HD ARG 83 9.689 -14.282 -4.882 638 2HD ARG 83 3HD ARG 83 8.127 -15.098 -4.924 639 HE ARG 83 HE ARG 83 10.165 -17.011 -4.628 640 1HH1 ARG 83 1HH1 ARG 83 8.590 -14.459 -2.859 641 2HH1 ARG 83 2HH1 ARG 83 8.877 -15.178 -1.310 642 1HH2 ARG 83 1HH2 ARG 83 10.550 -17.967 -2.593 643 2HH2 ARG 83 2HH2 ARG 83 9.993 -17.173 -1.159 644 HA PRO 84 HA PRO 84 4.925 -13.679 -10.401 645 1HB PRO 84 2HB PRO 84 3.106 -14.057 -8.421 646 2HB PRO 84 3HB PRO 84 3.621 -15.349 -9.512 647 1HG PRO 84 2HG PRO 84 4.527 -14.752 -6.722 648 2HG PRO 84 3HG PRO 84 4.143 -16.316 -7.463 649 1HD PRO 84 2HD PRO 84 6.685 -15.440 -7.145 650 2HD PRO 84 3HD PRO 84 6.192 -16.468 -8.507 651 HA PRO 85 HA PRO 85 5.163 -9.585 -8.716 652 1HB PRO 85 2HB PRO 85 3.189 -8.476 -10.215 653 2HB PRO 85 3HB PRO 85 4.790 -8.855 -10.863 654 1HG PRO 85 2HG PRO 85 2.239 -10.406 -11.087 655 2HG PRO 85 3HG PRO 85 3.460 -10.073 -12.330 656 1HD PRO 85 2HD PRO 85 3.326 -12.437 -11.016 657 2HD PRO 85 3HD PRO 85 4.860 -11.745 -11.583 658 H ALA 86 H ALA 86 3.951 -8.149 -7.411 659 HA ALA 86 HA ALA 86 1.945 -9.437 -5.811 660 1HB ALA 86 1HB ALA 86 3.340 -6.795 -5.715 661 2HB ALA 86 2HB ALA 86 1.921 -7.089 -4.710 662 3HB ALA 86 3HB ALA 86 3.349 -8.110 -4.540 663 H ARG 87 H ARG 87 0.695 -9.558 -8.046 664 HA ARG 87 HA ARG 87 -1.137 -7.252 -8.140 665 1HB ARG 87 2HB ARG 87 -0.589 -9.200 -10.383 666 2HB ARG 87 3HB ARG 87 -1.541 -7.723 -10.468 667 1HG ARG 87 2HG ARG 87 1.386 -7.723 -9.798 668 2HG ARG 87 3HG ARG 87 0.781 -7.630 -11.453 669 1HD ARG 87 2HD ARG 87 -0.319 -5.743 -9.433 670 2HD ARG 87 3HD ARG 87 1.310 -5.459 -10.043 671 HE ARG 87 HE ARG 87 -0.125 -5.806 -12.301 672 1HH1 ARG 87 1HH1 ARG 87 -0.556 -3.786 -9.499 673 2HH1 ARG 87 2HH1 ARG 87 -1.370 -2.528 -10.369 674 1HH2 ARG 87 1HH2 ARG 87 -1.195 -4.158 -13.458 675 2HH2 ARG 87 2HH2 ARG 87 -1.734 -2.741 -12.621 676 H ARG 88 H ARG 88 -1.152 -9.787 -6.502 677 HA ARG 88 HA ARG 88 -3.027 -11.626 -7.342 678 1HB ARG 88 2HB ARG 88 -2.248 -10.588 -4.644 679 2HB ARG 88 3HB ARG 88 -3.603 -11.700 -4.785 680 1HG ARG 88 2HG ARG 88 -1.960 -13.185 -6.103 681 2HG ARG 88 3HG ARG 88 -0.711 -12.169 -5.380 682 1HD ARG 88 2HD ARG 88 -0.862 -13.875 -3.841 683 2HD ARG 88 3HD ARG 88 -1.972 -12.687 -3.159 684 HE ARG 88 HE ARG 88 -3.305 -14.510 -4.897 685 1HH1 ARG 88 1HH1 ARG 88 -2.004 -14.149 -1.688 686 2HH1 ARG 88 2HH1 ARG 88 -3.071 -15.318 -0.983 687 1HH2 ARG 88 1HH2 ARG 88 -4.715 -16.051 -3.981 688 2HH2 ARG 88 2HH2 ARG 88 -4.612 -16.400 -2.288 689 H LYS 89 H LYS 89 -4.870 -11.034 -8.326 690 HA LYS 89 HA LYS 89 -6.961 -9.861 -6.758 691 1HB LYS 89 2HB LYS 89 -5.471 -7.953 -7.829 692 2HB LYS 89 3HB LYS 89 -6.416 -8.329 -9.264 693 1HG LYS 89 2HG LYS 89 -8.359 -7.534 -8.365 694 2HG LYS 89 3HG LYS 89 -7.856 -7.864 -6.706 695 1HD LYS 89 2HD LYS 89 -6.471 -5.957 -6.639 696 2HD LYS 89 3HD LYS 89 -6.538 -5.751 -8.391 697 1HE LYS 89 2HE LYS 89 -8.499 -4.652 -8.309 698 2HE LYS 89 3HE LYS 89 -9.146 -5.697 -7.045 699 1HZ LYS 89 1HZ LYS 89 -8.275 -3.118 -6.742 700 2HZ LYS 89 2HZ LYS 89 -7.033 -4.051 -6.072 701 3HZ LYS 89 3HZ LYS 89 -8.616 -4.214 -5.499 702 H LEU 90 H LEU 90 -8.973 -9.523 -8.216 703 HA LEU 90 HA LEU 90 -9.005 -11.473 -10.409 704 1HB LEU 90 2HB LEU 90 -10.983 -11.346 -8.138 705 2HB LEU 90 3HB LEU 90 -11.172 -12.332 -9.586 706 HG LEU 90 HG LEU 90 -8.662 -12.857 -8.220 707 1HD1 LEU 90 1HD1 LEU 90 -9.346 -13.561 -6.165 708 2HD1 LEU 90 2HD1 LEU 90 -11.005 -13.848 -6.689 709 3HD1 LEU 90 3HD1 LEU 90 -10.448 -12.202 -6.386 710 1HD2 LEU 90 1HD2 LEU 90 -10.997 -14.407 -9.273 711 2HD2 LEU 90 2HD2 LEU 90 -9.762 -15.194 -8.290 712 3HD2 LEU 90 3HD2 LEU 90 -9.316 -14.415 -9.809 713 H LEU 91 H LEU 91 -9.091 -9.717 -11.851 714 HA LEU 91 HA LEU 91 -11.492 -8.034 -11.711 715 1HB LEU 91 2HB LEU 91 -9.054 -7.732 -13.457 716 2HB LEU 91 3HB LEU 91 -10.385 -6.586 -13.313 717 HG LEU 91 HG LEU 91 -8.714 -5.615 -12.038 718 1HD1 LEU 91 1HD1 LEU 91 -10.836 -5.840 -10.793 719 2HD1 LEU 91 2HD1 LEU 91 -9.424 -5.751 -9.740 720 3HD1 LEU 91 3HD1 LEU 91 -10.206 -7.303 -10.036 721 1HD2 LEU 91 1HD2 LEU 91 -6.999 -6.674 -11.016 722 2HD2 LEU 91 2HD2 LEU 91 -7.481 -7.996 -12.080 723 3HD2 LEU 91 3HD2 LEU 91 -8.021 -7.973 -10.401 724 H GLU 92 H GLU 92 -9.616 -9.978 -14.027 725 HA GLU 92 HA GLU 92 -11.485 -9.826 -16.130 726 1HB GLU 92 2HB GLU 92 -10.295 -11.888 -16.978 727 2HB GLU 92 3HB GLU 92 -9.271 -10.493 -16.668 728 1HG GLU 92 2HG GLU 92 -8.480 -11.442 -14.624 729 2HG GLU 92 3HG GLU 92 -9.640 -12.764 -14.732 730 H VAL 93 H VAL 93 -11.112 -12.071 -13.442 731 HA VAL 93 HA VAL 93 -13.388 -13.651 -14.368 732 HB VAL 93 HB VAL 93 -11.726 -14.105 -11.891 733 1HG1 VAL 93 1HG1 VAL 93 -13.777 -15.291 -11.766 734 2HG1 VAL 93 2HG1 VAL 93 -13.655 -15.813 -13.448 735 3HG1 VAL 93 3HG1 VAL 93 -12.545 -16.460 -12.239 736 1HG2 VAL 93 1HG2 VAL 93 -11.255 -14.880 -14.738 737 2HG2 VAL 93 2HG2 VAL 93 -10.110 -14.293 -13.532 738 3HG2 VAL 93 3HG2 VAL 93 -10.721 -15.945 -13.437 739 H LEU 94 H LEU 94 -15.236 -14.013 -13.079 740 HA LEU 94 HA LEU 94 -15.702 -12.773 -10.590 741 1HB LEU 94 2HB LEU 94 -15.726 -10.924 -12.560 742 2HB LEU 94 3HB LEU 94 -17.415 -11.425 -12.573 743 HG LEU 94 HG LEU 94 -17.058 -9.433 -11.198 744 1HD1 LEU 94 1HD1 LEU 94 -18.613 -11.542 -10.614 745 2HD1 LEU 94 2HD1 LEU 94 -18.577 -10.063 -9.655 746 3HD1 LEU 94 3HD1 LEU 94 -17.641 -11.467 -9.144 747 1HD2 LEU 94 1HD2 LEU 94 -15.495 -11.128 -9.279 748 2HD2 LEU 94 2HD2 LEU 94 -15.677 -9.374 -9.315 749 3HD2 LEU 94 3HD2 LEU 94 -14.698 -10.185 -10.539 750 H PHE 95 H PHE 95 -17.587 -13.483 -9.667 751 HA PHE 95 HA PHE 95 -18.974 -15.588 -11.087 752 1HB PHE 95 2HB PHE 95 -19.335 -14.561 -8.264 753 2HB PHE 95 3HB PHE 95 -20.076 -16.014 -8.927 754 HD1 PHE 95 HD1 PHE 95 -17.029 -14.518 -7.622 755 HD2 PHE 95 HD2 PHE 95 -18.729 -17.993 -9.398 756 HE1 PHE 95 HE1 PHE 95 -15.060 -15.826 -6.940 757 HE2 PHE 95 HE2 PHE 95 -16.764 -19.306 -8.718 758 HZ PHE 95 HZ PHE 95 -14.926 -18.224 -7.487 759 H ASN 96 H ASN 96 -19.596 -13.474 -12.492 760 HA ASN 96 HA ASN 96 -22.427 -13.177 -12.075 761 1HB ASN 96 2HB ASN 96 -20.537 -10.903 -11.605 762 2HB ASN 96 3HB ASN 96 -22.113 -10.576 -12.319 763 1HD2 ASN 96 1HD2 ASN 96 -20.485 -10.648 -9.507 764 2HD2 ASN 96 2HD2 ASN 96 -21.789 -10.927 -8.407 765 H GLY 97 H GLY 97 -21.455 -14.473 -14.116 766 1HA GLY 97 2HA GLY 97 -21.768 -14.549 -16.409 767 2HA GLY 97 3HA GLY 97 -22.173 -12.840 -16.376 768 HA PRO 98 HA PRO 98 -17.345 -13.040 -16.546 769 1HB PRO 98 2HB PRO 98 -16.236 -15.489 -16.921 770 2HB PRO 98 3HB PRO 98 -16.552 -14.813 -15.319 771 1HG PRO 98 2HG PRO 98 -18.160 -16.789 -16.892 772 2HG PRO 98 3HG PRO 98 -17.754 -16.798 -15.166 773 1HD PRO 98 2HD PRO 98 -20.164 -15.980 -16.091 774 2HD PRO 98 3HD PRO 98 -19.414 -15.288 -14.639 775 H LEU 99 H LEU 99 -19.253 -15.265 -18.478 776 HA LEU 99 HA LEU 99 -17.646 -14.613 -20.847 777 1HB LEU 99 2HB LEU 99 -18.262 -17.024 -20.102 778 2HB LEU 99 3HB LEU 99 -19.837 -16.650 -20.800 779 HG LEU 99 HG LEU 99 -18.549 -16.088 -22.941 780 1HD1 LEU 99 1HD1 LEU 99 -16.375 -16.735 -21.221 781 2HD1 LEU 99 2HD1 LEU 99 -16.338 -16.213 -22.905 782 3HD1 LEU 99 3HD1 LEU 99 -16.448 -17.930 -22.517 783 1HD2 LEU 99 1HD2 LEU 99 -18.340 -18.558 -23.492 784 2HD2 LEU 99 2HD2 LEU 99 -19.915 -18.005 -22.923 785 3HD2 LEU 99 3HD2 LEU 99 -18.833 -18.866 -21.827 786 H GLU 100 H GLU 100 -18.781 -14.150 -22.860 787 HA GLU 100 HA GLU 100 -21.070 -12.409 -22.369 788 1HB GLU 100 2HB GLU 100 -20.608 -11.425 -24.499 789 2HB GLU 100 3HB GLU 100 -19.073 -11.613 -23.662 790 1HG GLU 100 2HG GLU 100 -18.880 -13.823 -24.964 791 2HG GLU 100 3HG GLU 100 -20.146 -13.151 -25.990 792 H HIS 101 H HIS 101 -20.834 -15.541 -22.852 793 HA HIS 101 HA HIS 101 -22.224 -17.164 -23.631 794 1HB HIS 101 2HB HIS 101 -23.896 -14.892 -23.159 795 2HB HIS 101 3HB HIS 101 -24.459 -15.709 -24.614 796 HD1 HIS 101 HD1 HIS 101 -25.914 -17.691 -24.260 797 HD2 HIS 101 HD2 HIS 101 -23.734 -16.723 -20.857 798 HE1 HIS 101 HE1 HIS 101 -26.760 -19.229 -22.459 Start of MODEL 17 1 1H MET 1 H MET 1 0.967 1.771 1.363 2 HA MET 1 HA MET 1 0.846 -0.066 -0.868 3 1HB MET 1 2HB MET 1 -0.407 1.990 -1.609 4 2HB MET 1 3HB MET 1 1.093 2.891 -1.429 5 1HG MET 1 2HG MET 1 0.922 2.370 -3.709 6 2HG MET 1 3HG MET 1 2.125 1.264 -3.051 7 1HE MET 1 1HE MET 1 -1.374 0.552 -5.476 8 2HE MET 1 2HE MET 1 -0.116 1.784 -5.371 9 3HE MET 1 3HE MET 1 0.254 0.202 -6.059 10 H LYS 2 H LYS 2 2.856 -0.412 -1.857 11 HA LYS 2 HA LYS 2 5.128 0.603 -0.298 12 1HB LYS 2 2HB LYS 2 4.651 -1.902 -1.872 13 2HB LYS 2 3HB LYS 2 6.297 -1.352 -1.588 14 1HG LYS 2 2HG LYS 2 5.097 -1.218 0.906 15 2HG LYS 2 3HG LYS 2 4.465 -2.703 0.191 16 1HD LYS 2 2HD LYS 2 6.653 -3.566 -0.156 17 2HD LYS 2 3HD LYS 2 7.396 -2.011 0.229 18 1HE LYS 2 2HE LYS 2 5.674 -3.136 2.331 19 2HE LYS 2 3HE LYS 2 7.131 -4.065 1.980 20 1HZ LYS 2 1HZ LYS 2 8.082 -2.635 3.392 21 2HZ LYS 2 2HZ LYS 2 6.851 -1.485 3.245 22 3HZ LYS 2 3HZ LYS 2 8.082 -1.558 2.087 23 H VAL 3 H VAL 3 6.759 1.731 -1.220 24 HA VAL 3 HA VAL 3 6.756 2.044 -4.143 25 HB VAL 3 HB VAL 3 7.356 4.411 -2.414 26 1HG1 VAL 3 1HG1 VAL 3 6.205 4.137 -5.189 27 2HG1 VAL 3 2HG1 VAL 3 6.667 5.642 -4.392 28 3HG1 VAL 3 3HG1 VAL 3 7.899 4.450 -4.809 29 1HG2 VAL 3 1HG2 VAL 3 4.600 3.544 -3.284 30 2HG2 VAL 3 2HG2 VAL 3 5.185 3.682 -1.626 31 3HG2 VAL 3 3HG2 VAL 3 5.003 5.128 -2.619 32 H TYR 4 H TYR 4 8.758 2.404 -5.088 33 HA TYR 4 HA TYR 4 11.095 2.399 -3.310 34 1HB TYR 4 2HB TYR 4 11.438 0.240 -3.842 35 2HB TYR 4 3HB TYR 4 10.265 0.288 -5.152 36 HD1 TYR 4 HD1 TYR 4 10.967 0.395 -7.397 37 HD2 TYR 4 HD2 TYR 4 13.779 1.095 -4.282 38 HE1 TYR 4 HE1 TYR 4 12.794 0.335 -9.042 39 HE2 TYR 4 HE2 TYR 4 15.615 1.039 -5.919 40 HH TYR 4 HH TYR 4 14.974 0.643 -9.385 41 H VAL 5 H VAL 5 12.286 4.113 -3.774 42 HA VAL 5 HA VAL 5 12.357 5.076 -6.559 43 HB VAL 5 HB VAL 5 13.073 7.275 -5.537 44 1HG1 VAL 5 1HG1 VAL 5 10.948 7.546 -6.220 45 2HG1 VAL 5 2HG1 VAL 5 10.407 6.041 -5.473 46 3HG1 VAL 5 3HG1 VAL 5 10.580 7.500 -4.496 47 1HG2 VAL 5 1HG2 VAL 5 13.220 5.758 -3.214 48 2HG2 VAL 5 2HG2 VAL 5 13.345 7.513 -3.338 49 3HG2 VAL 5 3HG2 VAL 5 11.786 6.762 -2.997 50 H GLY 6 H GLY 6 14.147 4.199 -7.441 51 1HA GLY 6 2HA GLY 6 16.655 4.340 -5.895 52 2HA GLY 6 3HA GLY 6 16.344 3.208 -7.203 53 H ASN 7 H ASN 7 18.532 4.145 -7.797 54 HA ASN 7 HA ASN 7 19.782 5.341 -9.272 55 1HB ASN 7 2HB ASN 7 17.020 5.647 -10.299 56 2HB ASN 7 3HB ASN 7 18.199 6.814 -10.893 57 1HD2 ASN 7 1HD2 ASN 7 17.848 3.329 -10.339 58 2HD2 ASN 7 2HD2 ASN 7 18.668 2.845 -11.781 59 H LEU 8 H LEU 8 20.333 6.530 -7.247 60 HA LEU 8 HA LEU 8 19.749 9.379 -7.616 61 1HB LEU 8 2HB LEU 8 19.832 8.084 -4.902 62 2HB LEU 8 3HB LEU 8 19.397 9.747 -5.290 63 HG LEU 8 HG LEU 8 17.567 8.166 -6.690 64 1HD1 LEU 8 1HD1 LEU 8 16.806 6.491 -5.343 65 2HD1 LEU 8 2HD1 LEU 8 17.423 7.241 -3.871 66 3HD1 LEU 8 3HD1 LEU 8 18.528 6.413 -4.967 67 1HD2 LEU 8 1HD2 LEU 8 17.154 9.497 -4.020 68 2HD2 LEU 8 2HD2 LEU 8 15.955 9.216 -5.283 69 3HD2 LEU 8 3HD2 LEU 8 17.261 10.373 -5.547 70 H GLY 9 H GLY 9 21.220 10.393 -5.526 71 1HA GLY 9 2HA GLY 9 23.385 10.517 -4.612 72 2HA GLY 9 3HA GLY 9 23.878 9.192 -5.656 73 H THR 10 H THR 10 22.511 12.448 -6.159 74 HA THR 10 HA THR 10 24.815 13.551 -7.314 75 HB THR 10 HB THR 10 24.495 11.995 -9.142 76 HG1 THR 10 HG1 THR 10 24.455 13.519 -10.789 77 1HG2 THR 10 1HG2 THR 10 22.451 11.299 -9.691 78 2HG2 THR 10 2HG2 THR 10 22.119 12.893 -10.368 79 3HG2 THR 10 3HG2 THR 10 21.722 12.549 -8.685 80 H GLY 11 H GLY 11 23.225 14.644 -5.517 81 1HA GLY 11 2HA GLY 11 22.340 16.770 -5.169 82 2HA GLY 11 3HA GLY 11 22.164 16.953 -6.908 83 H ALA 12 H ALA 12 20.843 14.054 -6.345 84 HA ALA 12 HA ALA 12 18.195 15.142 -5.657 85 1HB ALA 12 1HB ALA 12 17.544 13.154 -7.378 86 2HB ALA 12 2HB ALA 12 17.689 14.854 -7.827 87 3HB ALA 12 3HB ALA 12 19.038 13.751 -8.102 88 H GLY 13 H GLY 13 17.830 14.275 -3.698 89 1HA GLY 13 2HA GLY 13 17.751 11.358 -3.514 90 2HA GLY 13 3HA GLY 13 18.767 12.206 -2.357 91 H LYS 14 H LYS 14 17.826 12.412 -0.451 92 HA LYS 14 HA LYS 14 15.191 11.888 0.158 93 1HB LYS 14 2HB LYS 14 17.083 12.083 1.787 94 2HB LYS 14 3HB LYS 14 16.960 13.832 1.648 95 1HG LYS 14 2HG LYS 14 14.379 13.042 2.228 96 2HG LYS 14 3HG LYS 14 15.382 11.976 3.215 97 1HD LYS 14 2HD LYS 14 16.604 14.377 3.599 98 2HD LYS 14 3HD LYS 14 14.918 14.869 3.424 99 1HE LYS 14 2HE LYS 14 14.912 12.601 5.082 100 2HE LYS 14 3HE LYS 14 16.231 13.622 5.652 101 1HZ LYS 14 1HZ LYS 14 14.481 14.490 6.805 102 2HZ LYS 14 2HZ LYS 14 13.352 14.170 5.587 103 3HZ LYS 14 3HZ LYS 14 14.421 15.471 5.428 104 H GLY 15 H GLY 15 16.672 15.113 -0.223 105 1HA GLY 15 2HA GLY 15 14.297 16.581 0.081 106 2HA GLY 15 3HA GLY 15 15.745 17.148 -0.738 107 H GLU 16 H GLU 16 15.813 15.214 -2.807 108 HA GLU 16 HA GLU 16 14.113 16.437 -4.690 109 1HB GLU 16 2HB GLU 16 16.348 14.975 -4.905 110 2HB GLU 16 3HB GLU 16 15.170 13.720 -5.264 111 1HG GLU 16 2HG GLU 16 15.804 16.209 -6.781 112 2HG GLU 16 3HG GLU 16 15.691 14.545 -7.352 113 H LEU 17 H LEU 17 14.047 13.105 -3.414 114 HA LEU 17 HA LEU 17 11.584 12.418 -4.595 115 1HB LEU 17 2HB LEU 17 11.837 10.409 -3.583 116 2HB LEU 17 3HB LEU 17 13.488 11.002 -3.411 117 HG LEU 17 HG LEU 17 12.550 11.875 -1.094 118 1HD1 LEU 17 1HD1 LEU 17 11.083 9.446 -0.774 119 2HD1 LEU 17 2HD1 LEU 17 10.367 10.394 -2.077 120 3HD1 LEU 17 3HD1 LEU 17 10.567 11.106 -0.476 121 1HD2 LEU 17 1HD2 LEU 17 14.235 9.907 -1.885 122 2HD2 LEU 17 2HD2 LEU 17 13.017 8.975 -1.014 123 3HD2 LEU 17 3HD2 LEU 17 13.870 10.289 -0.202 124 H GLU 18 H GLU 18 12.393 14.081 -1.647 125 HA GLU 18 HA GLU 18 9.903 13.765 -0.330 126 1HB GLU 18 2HB GLU 18 11.876 14.421 0.912 127 2HB GLU 18 3HB GLU 18 12.039 15.884 -0.050 128 1HG GLU 18 2HG GLU 18 10.096 16.839 0.909 129 2HG GLU 18 3HG GLU 18 9.643 15.315 1.670 130 H ARG 19 H ARG 19 11.243 16.407 -2.301 131 HA ARG 19 HA ARG 19 8.962 18.058 -2.176 132 1HB ARG 19 2HB ARG 19 11.238 18.810 -2.860 133 2HB ARG 19 3HB ARG 19 11.033 17.938 -4.373 134 1HG ARG 19 2HG ARG 19 9.063 19.359 -4.868 135 2HG ARG 19 3HG ARG 19 9.417 20.285 -3.409 136 1HD ARG 19 2HD ARG 19 11.090 20.019 -5.894 137 2HD ARG 19 3HD ARG 19 10.370 21.480 -5.220 138 HE ARG 19 HE ARG 19 12.837 20.226 -4.418 139 1HH1 ARG 19 1HH1 ARG 19 10.263 22.380 -3.492 140 2HH1 ARG 19 2HH1 ARG 19 11.211 23.213 -2.305 141 1HH2 ARG 19 1HH2 ARG 19 14.096 21.315 -2.858 142 2HH2 ARG 19 2HH2 ARG 19 13.391 22.607 -1.946 143 H ALA 20 H ALA 20 9.978 15.580 -4.486 144 HA ALA 20 HA ALA 20 7.918 15.986 -6.366 145 1HB ALA 20 1HB ALA 20 8.689 14.095 -7.426 146 2HB ALA 20 2HB ALA 20 10.114 14.581 -6.506 147 3HB ALA 20 3HB ALA 20 9.085 13.277 -5.915 148 H PHE 21 H PHE 21 8.225 13.302 -4.030 149 HA PHE 21 HA PHE 21 5.692 12.256 -4.308 150 1HB PHE 21 2HB PHE 21 7.689 12.271 -2.091 151 2HB PHE 21 3HB PHE 21 6.068 11.681 -1.742 152 HD1 PHE 21 HD1 PHE 21 5.543 9.474 -2.164 153 HD2 PHE 21 HD2 PHE 21 8.860 11.240 -4.162 154 HE1 PHE 21 HE1 PHE 21 6.137 7.281 -3.109 155 HE2 PHE 21 HE2 PHE 21 9.459 9.050 -5.111 156 HZ PHE 21 HZ PHE 21 8.097 7.067 -4.585 157 H SER 22 H SER 22 6.753 14.716 -1.965 158 HA SER 22 HA SER 22 4.305 15.118 -0.699 159 1HB SER 22 2HB SER 22 5.212 17.209 0.096 160 2HB SER 22 3HB SER 22 6.516 16.023 0.060 161 HG SER 22 HG SER 22 6.165 18.319 -1.434 162 H TYR 23 H TYR 23 5.667 16.705 -3.562 163 HA TYR 23 HA TYR 23 3.685 18.611 -3.980 164 1HB TYR 23 2HB TYR 23 5.756 17.307 -5.627 165 2HB TYR 23 3HB TYR 23 4.402 17.980 -6.529 166 HD1 TYR 23 HD1 TYR 23 5.316 19.863 -7.569 167 HD2 TYR 23 HD2 TYR 23 5.970 19.263 -3.408 168 HE1 TYR 23 HE1 TYR 23 6.320 22.103 -7.410 169 HE2 TYR 23 HE2 TYR 23 6.974 21.502 -3.237 170 HH TYR 23 HH TYR 23 7.912 23.305 -5.926 171 H TYR 24 H TYR 24 3.853 15.247 -5.080 172 HA TYR 24 HA TYR 24 1.400 15.354 -6.533 173 1HB TYR 24 2HB TYR 24 3.260 13.174 -5.664 174 2HB TYR 24 3HB TYR 24 1.660 12.754 -6.266 175 HD1 TYR 24 HD1 TYR 24 1.425 12.358 -8.528 176 HD2 TYR 24 HD2 TYR 24 4.589 14.878 -7.209 177 HE1 TYR 24 HE1 TYR 24 2.247 12.526 -10.840 178 HE2 TYR 24 HE2 TYR 24 5.420 15.054 -9.517 179 HH TYR 24 HH TYR 24 4.991 14.606 -11.667 180 H GLY 25 H GLY 25 2.320 14.387 -3.272 181 1HA GLY 25 2HA GLY 25 -0.073 14.961 -2.049 182 2HA GLY 25 3HA GLY 25 -0.238 13.299 -2.595 183 HA PRO 26 HA PRO 26 2.142 13.735 1.526 184 1HB PRO 26 2HB PRO 26 0.134 13.125 3.249 185 2HB PRO 26 3HB PRO 26 0.515 14.782 2.766 186 1HG PRO 26 2HG PRO 26 -1.625 12.955 1.743 187 2HG PRO 26 3HG PRO 26 -1.722 14.680 2.139 188 1HD PRO 26 2HD PRO 26 -1.474 13.780 -0.403 189 2HD PRO 26 3HD PRO 26 -0.778 15.322 0.137 190 H LEU 27 H LEU 27 3.294 11.903 1.506 191 HA LEU 27 HA LEU 27 2.004 9.333 1.124 192 1HB LEU 27 2HB LEU 27 4.442 8.539 1.366 193 2HB LEU 27 3HB LEU 27 3.975 9.443 -0.073 194 HG LEU 27 HG LEU 27 5.008 11.453 0.836 195 1HD1 LEU 27 1HD1 LEU 27 4.660 11.140 3.185 196 2HD1 LEU 27 2HD1 LEU 27 6.393 11.272 2.891 197 3HD1 LEU 27 3HD1 LEU 27 5.668 9.693 3.190 198 1HD2 LEU 27 1HD2 LEU 27 7.199 9.550 1.270 199 2HD2 LEU 27 2HD2 LEU 27 7.049 10.867 0.106 200 3HD2 LEU 27 3HD2 LEU 27 6.292 9.308 -0.224 201 H ARG 28 H ARG 28 3.246 7.534 2.565 202 HA ARG 28 HA ARG 28 2.334 8.067 5.256 203 1HB ARG 28 2HB ARG 28 1.885 5.908 4.100 204 2HB ARG 28 3HB ARG 28 3.611 5.570 4.130 205 1HG ARG 28 2HG ARG 28 3.537 4.859 6.236 206 2HG ARG 28 3HG ARG 28 2.565 6.238 6.754 207 1HD ARG 28 2HD ARG 28 0.550 5.159 5.970 208 2HD ARG 28 3HD ARG 28 1.488 3.820 5.310 209 HE ARG 28 HE ARG 28 1.864 4.221 8.132 210 1HH1 ARG 28 1HH1 ARG 28 -0.090 2.693 5.688 211 2HH1 ARG 28 2HH1 ARG 28 -0.667 1.446 6.744 212 1HH2 ARG 28 1HH2 ARG 28 1.111 2.584 9.532 213 2HH2 ARG 28 2HH2 ARG 28 0.016 1.386 8.930 214 H THR 29 H THR 29 5.399 7.155 3.702 215 HA THR 29 HA THR 29 6.932 8.694 5.550 216 HB THR 29 HB THR 29 8.217 6.318 6.050 217 HG1 THR 29 HG1 THR 29 6.750 4.816 5.746 218 1HG2 THR 29 1HG2 THR 29 6.607 8.252 7.527 219 2HG2 THR 29 2HG2 THR 29 8.134 7.483 7.964 220 3HG2 THR 29 3HG2 THR 29 6.609 6.649 8.263 221 H VAL 30 H VAL 30 9.225 8.651 5.070 222 HA VAL 30 HA VAL 30 9.817 7.548 2.400 223 HB VAL 30 HB VAL 30 9.620 9.922 2.150 224 1HG1 VAL 30 1HG1 VAL 30 11.308 10.021 4.622 225 2HG1 VAL 30 2HG1 VAL 30 11.254 11.387 3.506 226 3HG1 VAL 30 3HG1 VAL 30 9.775 10.825 4.287 227 1HG2 VAL 30 1HG2 VAL 30 11.771 10.474 1.274 228 2HG2 VAL 30 2HG2 VAL 30 12.566 9.318 2.343 229 3HG2 VAL 30 3HG2 VAL 30 11.529 8.743 1.038 230 H TRP 31 H TRP 31 11.855 6.700 2.054 231 HA TRP 31 HA TRP 31 13.802 6.755 4.219 232 1HB TRP 31 2HB TRP 31 12.035 4.652 4.106 233 2HB TRP 31 3HB TRP 31 13.408 4.035 3.192 234 HD1 TRP 31 HD1 TRP 31 12.963 5.881 6.592 235 HE1 TRP 31 HE1 TRP 31 14.531 4.763 8.299 236 HE3 TRP 31 HE3 TRP 31 15.107 2.375 3.551 237 HZ2 TRP 31 HZ2 TRP 31 16.426 2.672 8.350 238 HZ3 TRP 31 HZ3 TRP 31 16.789 0.855 4.506 239 HH2 TRP 31 HH2 TRP 31 17.434 1.002 6.856 240 H ILE 32 H ILE 32 15.913 6.131 3.576 241 HA ILE 32 HA ILE 32 16.319 5.648 0.716 242 HB ILE 32 HB ILE 32 17.583 7.893 2.283 243 1HG1 ILE 32 2HG1 ILE 32 16.712 8.733 -0.251 244 2HG1 ILE 32 3HG1 ILE 32 15.432 7.691 0.360 245 1HG2 ILE 32 1HG2 ILE 32 18.486 6.487 -0.178 246 2HG2 ILE 32 2HG2 ILE 32 18.713 8.231 -0.071 247 3HG2 ILE 32 3HG2 ILE 32 19.432 7.173 1.142 248 1HD1 ILE 32 1HD1 ILE 32 16.175 10.376 1.140 249 2HD1 ILE 32 2HD1 ILE 32 14.684 9.480 1.434 250 3HD1 ILE 32 3HD1 ILE 32 16.060 9.285 2.520 251 H ALA 33 H ALA 33 18.129 4.464 0.214 252 HA ALA 33 HA ALA 33 19.582 3.344 2.513 253 1HB ALA 33 1HB ALA 33 19.823 1.351 1.357 254 2HB ALA 33 2HB ALA 33 18.217 1.889 0.865 255 3HB ALA 33 3HB ALA 33 19.592 2.116 -0.215 256 H ARG 34 H ARG 34 21.440 4.396 2.834 257 HA ARG 34 HA ARG 34 22.889 5.658 0.704 258 1HB ARG 34 2HB ARG 34 24.431 6.374 2.399 259 2HB ARG 34 3HB ARG 34 22.801 6.536 3.040 260 1HG ARG 34 2HG ARG 34 23.112 4.364 4.210 261 2HG ARG 34 3HG ARG 34 24.792 4.370 3.669 262 1HD ARG 34 2HD ARG 34 25.172 6.471 4.849 263 2HD ARG 34 3HD ARG 34 23.486 6.495 5.367 264 HE ARG 34 HE ARG 34 24.765 4.094 6.175 265 1HH1 ARG 34 1HH1 ARG 34 24.519 7.484 6.930 266 2HH1 ARG 34 2HH1 ARG 34 24.906 7.272 8.606 267 1HH2 ARG 34 1HH2 ARG 34 25.277 3.803 8.379 268 2HH2 ARG 34 2HH2 ARG 34 25.338 5.178 9.428 269 H ASN 35 H ASN 35 22.983 2.592 2.314 270 HA ASN 35 HA ASN 35 25.565 1.737 1.975 271 1HB ASN 35 2HB ASN 35 22.934 0.439 2.132 272 2HB ASN 35 3HB ASN 35 24.154 -0.515 1.294 273 1HD2 ASN 35 1HD2 ASN 35 24.036 -2.021 3.014 274 2HD2 ASN 35 2HD2 ASN 35 24.850 -1.720 4.508 275 HA PRO 36 HA PRO 36 24.609 0.312 -2.540 276 1HB PRO 36 2HB PRO 36 22.269 1.139 -3.641 277 2HB PRO 36 3HB PRO 36 22.423 -0.369 -2.732 278 1HG PRO 36 2HG PRO 36 21.378 2.288 -1.831 279 2HG PRO 36 3HG PRO 36 20.732 0.666 -1.517 280 1HD PRO 36 2HD PRO 36 22.206 2.026 0.303 281 2HD PRO 36 3HD PRO 36 22.243 0.256 0.175 282 HA PRO 37 HA PRO 37 25.889 3.977 -4.605 283 1HB PRO 37 2HB PRO 37 25.269 3.483 -7.201 284 2HB PRO 37 3HB PRO 37 26.585 2.661 -6.355 285 1HG PRO 37 2HG PRO 37 23.803 1.705 -6.913 286 2HG PRO 37 3HG PRO 37 25.336 0.824 -7.044 287 1HD PRO 37 2HD PRO 37 23.672 0.545 -4.926 288 2HD PRO 37 3HD PRO 37 25.436 0.409 -4.779 289 H GLY 38 H GLY 38 22.570 2.983 -5.003 290 1HA GLY 38 2HA GLY 38 21.509 5.544 -4.670 291 2HA GLY 38 3HA GLY 38 21.611 5.245 -6.399 292 H PHE 39 H PHE 39 20.240 4.054 -3.375 293 HA PHE 39 HA PHE 39 17.883 3.170 -4.838 294 1HB PHE 39 2HB PHE 39 19.643 1.351 -3.209 295 2HB PHE 39 3HB PHE 39 17.933 1.004 -3.440 296 HD1 PHE 39 HD1 PHE 39 17.461 1.741 -6.199 297 HD2 PHE 39 HD2 PHE 39 20.823 -0.191 -4.446 298 HE1 PHE 39 HE1 PHE 39 17.970 0.675 -8.358 299 HE2 PHE 39 HE2 PHE 39 21.338 -1.260 -6.601 300 HZ PHE 39 HZ PHE 39 19.911 -0.826 -8.561 301 H ALA 40 H ALA 40 16.172 3.969 -3.832 302 HA ALA 40 HA ALA 40 16.228 4.187 -0.895 303 1HB ALA 40 1HB ALA 40 14.570 6.240 -1.742 304 2HB ALA 40 2HB ALA 40 16.210 6.402 -1.111 305 3HB ALA 40 3HB ALA 40 15.940 6.303 -2.851 306 H PHE 41 H PHE 41 14.091 4.252 0.107 307 HA PHE 41 HA PHE 41 12.002 2.989 -1.537 308 1HB PHE 41 2HB PHE 41 13.325 1.965 0.867 309 2HB PHE 41 3HB PHE 41 11.569 1.964 0.984 310 HD1 PHE 41 HD1 PHE 41 14.377 0.857 -1.175 311 HD2 PHE 41 HD2 PHE 41 10.322 0.278 -0.019 312 HE1 PHE 41 HE1 PHE 41 14.298 -1.213 -2.503 313 HE2 PHE 41 HE2 PHE 41 10.236 -1.793 -1.344 314 HZ PHE 41 HZ PHE 41 12.226 -2.542 -2.588 315 H VAL 42 H VAL 42 9.882 3.524 -1.049 316 HA VAL 42 HA VAL 42 9.432 5.474 1.094 317 HB VAL 42 HB VAL 42 8.529 5.867 -1.763 318 1HG1 VAL 42 1HG1 VAL 42 7.996 7.482 0.727 319 2HG1 VAL 42 2HG1 VAL 42 7.649 8.030 -0.914 320 3HG1 VAL 42 3HG1 VAL 42 6.813 6.622 -0.258 321 1HG2 VAL 42 1HG2 VAL 42 10.344 7.639 -0.146 322 2HG2 VAL 42 2HG2 VAL 42 10.950 6.359 -1.198 323 3HG2 VAL 42 3HG2 VAL 42 10.022 7.695 -1.879 324 H GLU 43 H GLU 43 7.328 5.528 1.911 325 HA GLU 43 HA GLU 43 5.603 3.314 1.012 326 1HB GLU 43 2HB GLU 43 6.654 3.094 3.302 327 2HB GLU 43 3HB GLU 43 5.690 4.479 3.795 328 1HG GLU 43 2HG GLU 43 3.679 3.310 3.566 329 2HG GLU 43 3HG GLU 43 4.430 2.033 2.610 330 H PHE 44 H PHE 44 3.711 3.887 0.188 331 HA PHE 44 HA PHE 44 2.704 6.594 0.727 332 1HB PHE 44 2HB PHE 44 2.948 5.043 -1.663 333 2HB PHE 44 3HB PHE 44 1.240 5.358 -1.372 334 HD1 PHE 44 HD1 PHE 44 3.715 6.465 -3.290 335 HD2 PHE 44 HD2 PHE 44 1.136 7.988 -0.265 336 HE1 PHE 44 HE1 PHE 44 3.984 8.732 -4.207 337 HE2 PHE 44 HE2 PHE 44 1.400 10.257 -1.178 338 HZ PHE 44 HZ PHE 44 2.824 10.631 -3.152 339 H GLU 45 H GLU 45 1.055 6.785 2.077 340 HA GLU 45 HA GLU 45 -0.267 4.725 3.342 341 1HB GLU 45 2HB GLU 45 -1.940 6.384 4.019 342 2HB GLU 45 3HB GLU 45 -0.309 7.028 4.153 343 1HG GLU 45 2HG GLU 45 -0.601 8.232 2.056 344 2HG GLU 45 3HG GLU 45 -2.229 7.573 1.899 345 H ASP 46 H ASP 46 -1.013 6.273 0.290 346 HA ASP 46 HA ASP 46 -3.193 4.328 -0.095 347 1HB ASP 46 2HB ASP 46 -3.277 7.197 -0.248 348 2HB ASP 46 3HB ASP 46 -3.626 6.513 -1.833 349 HA PRO 47 HA PRO 47 -1.019 2.924 -3.646 350 1HB PRO 47 2HB PRO 47 -3.090 1.977 -5.123 351 2HB PRO 47 3HB PRO 47 -2.489 1.159 -3.676 352 1HG PRO 47 2HG PRO 47 -4.856 2.965 -3.984 353 2HG PRO 47 3HG PRO 47 -4.719 1.445 -3.082 354 1HD PRO 47 2HD PRO 47 -4.595 3.868 -1.881 355 2HD PRO 47 3HD PRO 47 -3.696 2.459 -1.282 356 H ARG 48 H ARG 48 -4.002 4.734 -4.382 357 HA ARG 48 HA ARG 48 -3.485 5.430 -6.996 358 1HB ARG 48 2HB ARG 48 -4.908 7.435 -6.571 359 2HB ARG 48 3HB ARG 48 -5.614 5.928 -6.000 360 1HG ARG 48 2HG ARG 48 -4.346 6.724 -3.766 361 2HG ARG 48 3HG ARG 48 -4.710 8.289 -4.495 362 1HD ARG 48 2HD ARG 48 -6.668 6.091 -3.844 363 2HD ARG 48 3HD ARG 48 -6.513 7.646 -3.027 364 HE ARG 48 HE ARG 48 -7.074 7.836 -5.847 365 1HH1 ARG 48 1HH1 ARG 48 -8.424 7.579 -2.649 366 2HH1 ARG 48 2HH1 ARG 48 -9.948 8.271 -3.095 367 1HH2 ARG 48 1HH2 ARG 48 -9.076 8.748 -6.448 368 2HH2 ARG 48 2HH2 ARG 48 -10.319 8.934 -5.256 369 H ASP 49 H ASP 49 -2.463 7.127 -4.051 370 HA ASP 49 HA ASP 49 -1.199 9.295 -5.294 371 1HB ASP 49 2HB ASP 49 -0.299 8.037 -2.702 372 2HB ASP 49 3HB ASP 49 -0.156 9.723 -3.191 373 H ALA 50 H ALA 50 -0.062 6.052 -4.560 374 HA ALA 50 HA ALA 50 2.669 6.578 -5.238 375 1HB ALA 50 1HB ALA 50 3.023 4.229 -4.969 376 2HB ALA 50 2HB ALA 50 1.924 4.762 -3.697 377 3HB ALA 50 3HB ALA 50 1.295 3.900 -5.101 378 H GLU 51 H GLU 51 -0.107 5.166 -6.916 379 HA GLU 51 HA GLU 51 1.216 4.292 -9.220 380 1HB GLU 51 2HB GLU 51 -1.309 4.088 -8.362 381 2HB GLU 51 3HB GLU 51 -1.525 5.411 -9.500 382 1HG GLU 51 2HG GLU 51 -1.477 4.029 -11.226 383 2HG GLU 51 3HG GLU 51 0.039 3.311 -10.684 384 H ASP 52 H ASP 52 -0.316 7.410 -8.497 385 HA ASP 52 HA ASP 52 0.304 8.556 -11.036 386 1HB ASP 52 2HB ASP 52 -0.548 9.781 -8.409 387 2HB ASP 52 3HB ASP 52 -0.310 10.717 -9.883 388 H ALA 53 H ALA 53 1.679 8.953 -7.778 389 HA ALA 53 HA ALA 53 3.678 10.779 -8.397 390 1HB ALA 53 1HB ALA 53 3.333 10.418 -6.127 391 2HB ALA 53 2HB ALA 53 3.442 8.664 -6.289 392 3HB ALA 53 3HB ALA 53 4.896 9.654 -6.423 393 H VAL 54 H VAL 54 3.836 7.224 -8.409 394 HA VAL 54 HA VAL 54 6.534 7.072 -9.252 395 HB VAL 54 HB VAL 54 4.298 5.054 -9.469 396 1HG1 VAL 54 1HG1 VAL 54 5.950 4.529 -11.137 397 2HG1 VAL 54 2HG1 VAL 54 7.255 4.728 -9.965 398 3HG1 VAL 54 3HG1 VAL 54 6.112 3.394 -9.797 399 1HG2 VAL 54 1HG2 VAL 54 5.775 5.990 -7.270 400 2HG2 VAL 54 2HG2 VAL 54 4.686 4.604 -7.327 401 3HG2 VAL 54 3HG2 VAL 54 6.407 4.386 -7.645 402 H ARG 55 H ARG 55 3.464 6.808 -11.026 403 HA ARG 55 HA ARG 55 4.437 6.255 -13.550 404 1HB ARG 55 2HB ARG 55 2.010 7.644 -12.519 405 2HB ARG 55 3HB ARG 55 2.362 7.768 -14.237 406 1HG ARG 55 2HG ARG 55 2.157 5.455 -14.560 407 2HG ARG 55 3HG ARG 55 2.250 5.123 -12.829 408 1HD ARG 55 2HD ARG 55 0.030 5.146 -12.763 409 2HD ARG 55 3HD ARG 55 0.081 6.864 -13.156 410 HE ARG 55 HE ARG 55 0.281 5.659 -15.574 411 1HH1 ARG 55 1HH1 ARG 55 -1.950 5.365 -12.918 412 2HH1 ARG 55 2HH1 ARG 55 -3.296 4.943 -13.925 413 1HH2 ARG 55 1HH2 ARG 55 -1.482 5.105 -16.910 414 2HH2 ARG 55 2HH2 ARG 55 -3.028 4.795 -16.195 415 H GLY 56 H GLY 56 4.151 9.380 -11.920 416 1HA GLY 56 2HA GLY 56 5.064 10.859 -14.220 417 2HA GLY 56 3HA GLY 56 4.788 11.500 -12.606 418 H LEU 57 H LEU 57 6.453 10.319 -10.977 419 HA LEU 57 HA LEU 57 8.915 11.480 -11.393 420 1HB LEU 57 2HB LEU 57 7.881 9.358 -9.612 421 2HB LEU 57 3HB LEU 57 9.632 9.468 -9.775 422 HG LEU 57 HG LEU 57 9.637 11.701 -8.909 423 1HD1 LEU 57 1HD1 LEU 57 6.750 11.545 -9.482 424 2HD1 LEU 57 2HD1 LEU 57 7.857 12.915 -9.571 425 3HD1 LEU 57 3HD1 LEU 57 7.206 12.407 -8.013 426 1HD2 LEU 57 1HD2 LEU 57 7.949 10.999 -6.805 427 2HD2 LEU 57 2HD2 LEU 57 9.683 10.700 -6.925 428 3HD2 LEU 57 3HD2 LEU 57 8.537 9.467 -7.453 429 H ASP 58 H ASP 58 7.824 8.258 -12.294 430 HA ASP 58 HA ASP 58 10.443 7.502 -13.280 431 1HB ASP 58 2HB ASP 58 9.119 5.765 -12.253 432 2HB ASP 58 3HB ASP 58 7.770 6.092 -13.337 433 H GLY 59 H GLY 59 7.289 8.414 -14.586 434 1HA GLY 59 2HA GLY 59 7.660 7.856 -17.268 435 2HA GLY 59 3HA GLY 59 6.697 9.195 -16.663 436 H LYS 60 H LYS 60 8.734 10.708 -15.464 437 HA LYS 60 HA LYS 60 10.665 11.257 -17.582 438 1HB LYS 60 2HB LYS 60 8.713 13.320 -16.542 439 2HB LYS 60 3HB LYS 60 10.087 13.668 -17.585 440 1HG LYS 60 2HG LYS 60 7.892 11.772 -18.367 441 2HG LYS 60 3HG LYS 60 7.838 13.502 -18.711 442 1HD LYS 60 2HD LYS 60 10.327 12.125 -19.484 443 2HD LYS 60 3HD LYS 60 8.884 11.658 -20.387 444 1HE LYS 60 2HE LYS 60 8.712 14.410 -20.273 445 2HE LYS 60 3HE LYS 60 10.438 14.118 -20.482 446 1HZ LYS 60 1HZ LYS 60 8.841 14.284 -22.528 447 2HZ LYS 60 2HZ LYS 60 8.561 12.651 -22.187 448 3HZ LYS 60 3HZ LYS 60 10.129 13.188 -22.524 449 H VAL 61 H VAL 61 11.640 13.661 -16.642 450 HA VAL 61 HA VAL 61 12.933 12.788 -14.177 451 HB VAL 61 HB VAL 61 14.607 14.436 -14.596 452 1HG1 VAL 61 1HG1 VAL 61 14.263 12.321 -16.169 453 2HG1 VAL 61 2HG1 VAL 61 14.124 13.583 -17.396 454 3HG1 VAL 61 3HG1 VAL 61 15.582 13.467 -16.409 455 1HG2 VAL 61 1HG2 VAL 61 13.518 16.377 -15.235 456 2HG2 VAL 61 2HG2 VAL 61 14.309 15.884 -16.732 457 3HG2 VAL 61 3HG2 VAL 61 12.591 15.565 -16.497 458 H ILE 62 H ILE 62 13.211 14.220 -12.377 459 HA ILE 62 HA ILE 62 11.085 16.250 -12.157 460 HB ILE 62 HB ILE 62 10.468 14.398 -10.765 461 1HG1 ILE 62 2HG1 ILE 62 10.413 15.468 -8.563 462 2HG1 ILE 62 3HG1 ILE 62 11.708 16.558 -9.044 463 1HG2 ILE 62 1HG2 ILE 62 11.873 13.368 -9.161 464 2HG2 ILE 62 2HG2 ILE 62 12.807 13.468 -10.652 465 3HG2 ILE 62 3HG2 ILE 62 13.111 14.610 -9.344 466 1HD1 ILE 62 1HD1 ILE 62 9.506 17.624 -9.105 467 2HD1 ILE 62 2HD1 ILE 62 10.270 17.581 -10.694 468 3HD1 ILE 62 3HD1 ILE 62 8.979 16.444 -10.305 469 H CYS 63 H CYS 63 11.952 18.210 -12.100 470 HA CYS 63 HA CYS 63 13.409 19.926 -11.742 471 1HB CYS 63 2HB CYS 63 12.580 19.036 -9.347 472 2HB CYS 63 3HB CYS 63 14.308 18.762 -9.162 473 HG CYS 63 HG CYS 63 14.388 21.130 -8.083 474 H GLY 64 H GLY 64 14.529 17.997 -13.336 475 1HA GLY 64 2HA GLY 64 16.606 17.554 -14.237 476 2HA GLY 64 3HA GLY 64 17.319 18.501 -12.940 477 H SER 65 H SER 65 15.196 15.815 -12.284 478 HA SER 65 HA SER 65 17.524 14.203 -11.475 479 1HB SER 65 2HB SER 65 14.946 14.118 -9.935 480 2HB SER 65 3HB SER 65 16.566 13.659 -9.413 481 HG SER 65 HG SER 65 15.967 16.328 -10.089 482 H ARG 66 H ARG 66 17.445 12.869 -13.260 483 HA ARG 66 HA ARG 66 14.986 11.592 -14.058 484 1HB ARG 66 2HB ARG 66 16.961 12.254 -15.574 485 2HB ARG 66 3HB ARG 66 17.740 10.798 -14.970 486 1HG ARG 66 2HG ARG 66 16.404 9.424 -16.160 487 2HG ARG 66 3HG ARG 66 14.994 10.472 -15.994 488 1HD ARG 66 2HD ARG 66 16.622 12.004 -17.539 489 2HD ARG 66 3HD ARG 66 17.055 10.384 -18.084 490 HE ARG 66 HE ARG 66 14.234 10.727 -17.974 491 1HH1 ARG 66 1HH1 ARG 66 17.055 11.470 -19.873 492 2HH1 ARG 66 2HH1 ARG 66 16.181 11.585 -21.364 493 1HH2 ARG 66 1HH2 ARG 66 13.072 10.875 -19.931 494 2HH2 ARG 66 2HH2 ARG 66 13.916 11.247 -21.396 495 H VAL 67 H VAL 67 15.078 10.918 -11.549 496 HA VAL 67 HA VAL 67 16.615 8.600 -10.930 497 HB VAL 67 HB VAL 67 15.077 8.376 -8.980 498 1HG1 VAL 67 1HG1 VAL 67 15.598 11.021 -8.384 499 2HG1 VAL 67 2HG1 VAL 67 16.698 9.662 -8.146 500 3HG1 VAL 67 3HG1 VAL 67 16.796 10.630 -9.618 501 1HG2 VAL 67 1HG2 VAL 67 13.821 10.951 -9.877 502 2HG2 VAL 67 2HG2 VAL 67 13.121 9.385 -10.286 503 3HG2 VAL 67 3HG2 VAL 67 13.301 9.857 -8.596 504 H ARG 68 H ARG 68 15.336 6.592 -10.079 505 HA ARG 68 HA ARG 68 13.314 5.841 -12.085 506 1HB ARG 68 2HB ARG 68 15.813 4.858 -12.154 507 2HB ARG 68 3HB ARG 68 15.098 3.724 -11.016 508 1HG ARG 68 2HG ARG 68 13.697 4.298 -13.584 509 2HG ARG 68 3HG ARG 68 15.091 3.216 -13.570 510 1HD ARG 68 2HD ARG 68 14.030 1.717 -12.079 511 2HD ARG 68 3HD ARG 68 12.756 2.877 -11.707 512 HE ARG 68 HE ARG 68 11.644 2.220 -13.601 513 1HH1 ARG 68 1HH1 ARG 68 14.913 1.027 -13.709 514 2HH1 ARG 68 2HH1 ARG 68 14.643 0.032 -15.101 515 1HH2 ARG 68 1HH2 ARG 68 11.276 0.914 -15.434 516 2HH2 ARG 68 2HH2 ARG 68 12.574 -0.031 -16.082 517 H VAL 69 H VAL 69 11.475 5.777 -10.943 518 HA VAL 69 HA VAL 69 11.498 4.414 -8.332 519 HB VAL 69 HB VAL 69 10.708 6.672 -8.112 520 1HG1 VAL 69 1HG1 VAL 69 10.103 7.135 -10.404 521 2HG1 VAL 69 2HG1 VAL 69 8.757 5.997 -10.311 522 3HG1 VAL 69 3HG1 VAL 69 8.730 7.478 -9.352 523 1HG2 VAL 69 1HG2 VAL 69 8.546 6.300 -7.130 524 2HG2 VAL 69 2HG2 VAL 69 8.307 4.847 -8.099 525 3HG2 VAL 69 3HG2 VAL 69 9.545 4.875 -6.844 526 H GLU 70 H GLU 70 10.048 2.781 -7.899 527 HA GLU 70 HA GLU 70 8.171 1.976 -9.985 528 1HB GLU 70 2HB GLU 70 10.654 0.772 -9.814 529 2HB GLU 70 3HB GLU 70 9.619 -0.318 -8.902 530 1HG GLU 70 2HG GLU 70 8.054 -0.247 -10.907 531 2HG GLU 70 3HG GLU 70 9.394 0.497 -11.778 532 H LEU 71 H LEU 71 6.751 0.161 -9.225 533 HA LEU 71 HA LEU 71 6.193 0.506 -6.357 534 1HB LEU 71 2HB LEU 71 4.511 0.312 -8.755 535 2HB LEU 71 3HB LEU 71 3.944 -0.632 -7.379 536 HG LEU 71 HG LEU 71 4.630 2.038 -6.549 537 1HD1 LEU 71 1HD1 LEU 71 4.150 2.720 -8.807 538 2HD1 LEU 71 2HD1 LEU 71 2.815 3.201 -7.760 539 3HD1 LEU 71 3HD1 LEU 71 2.650 1.793 -8.808 540 1HD2 LEU 71 1HD2 LEU 71 2.257 0.222 -6.485 541 2HD2 LEU 71 2HD2 LEU 71 2.086 1.914 -6.016 542 3HD2 LEU 71 3HD2 LEU 71 3.213 0.868 -5.151 543 H SER 72 H SER 72 6.989 -1.131 -5.210 544 HA SER 72 HA SER 72 7.598 -3.682 -6.225 545 1HB SER 72 2HB SER 72 8.637 -2.702 -4.192 546 2HB SER 72 3HB SER 72 7.108 -2.907 -3.339 547 HG SER 72 HG SER 72 9.023 -4.661 -3.551 548 H THR 73 H THR 73 4.678 -2.326 -4.957 549 HA THR 73 HA THR 73 3.252 -4.775 -5.601 550 HB THR 73 HB THR 73 2.594 -3.581 -2.943 551 HG1 THR 73 HG1 THR 73 4.099 -5.026 -1.978 552 1HG2 THR 73 1HG2 THR 73 1.468 -5.560 -4.399 553 2HG2 THR 73 2HG2 THR 73 1.394 -5.475 -2.638 554 3HG2 THR 73 3HG2 THR 73 2.603 -6.491 -3.423 555 H GLY 74 H GLY 74 1.228 -4.401 -6.357 556 1HA GLY 74 2HA GLY 74 -0.813 -3.208 -6.527 557 2HA GLY 74 3HA GLY 74 -0.012 -1.793 -5.859 558 H MET 75 H MET 75 1.660 -3.494 -8.331 559 HA MET 75 HA MET 75 0.842 -1.447 -10.288 560 1HB MET 75 2HB MET 75 3.097 -0.985 -9.565 561 2HB MET 75 3HB MET 75 3.573 -2.656 -9.833 562 1HG MET 75 2HG MET 75 4.391 -1.205 -11.600 563 2HG MET 75 3HG MET 75 3.244 -2.389 -12.222 564 1HE MET 75 1HE MET 75 2.829 -1.167 -14.428 565 2HE MET 75 2HE MET 75 2.390 0.533 -14.584 566 3HE MET 75 3HE MET 75 4.002 0.086 -14.022 567 HA PRO 76 HA PRO 76 -0.279 -5.487 -12.137 568 1HB PRO 76 2HB PRO 76 -2.384 -4.495 -13.534 569 2HB PRO 76 3HB PRO 76 -2.500 -4.982 -11.839 570 1HG PRO 76 2HG PRO 76 -2.169 -2.245 -13.004 571 2HG PRO 76 3HG PRO 76 -3.217 -2.776 -11.676 572 1HD PRO 76 2HD PRO 76 -0.853 -1.526 -11.255 573 2HD PRO 76 3HD PRO 76 -1.498 -2.748 -10.141 574 H ARG 77 H ARG 77 0.978 -6.075 -13.785 575 HA ARG 77 HA ARG 77 0.938 -4.483 -16.238 576 1HB ARG 77 2HB ARG 77 3.073 -4.317 -14.508 577 2HB ARG 77 3HB ARG 77 3.594 -5.561 -15.636 578 1HG ARG 77 2HG ARG 77 3.289 -4.066 -17.499 579 2HG ARG 77 3HG ARG 77 2.615 -2.829 -16.436 580 1HD ARG 77 2HD ARG 77 4.699 -2.513 -15.343 581 2HD ARG 77 3HD ARG 77 5.387 -3.949 -16.099 582 HE ARG 77 HE ARG 77 5.272 -1.327 -17.203 583 1HH1 ARG 77 1HH1 ARG 77 5.181 -4.709 -18.025 584 2HH1 ARG 77 2HH1 ARG 77 5.788 -4.469 -19.630 585 1HH2 ARG 77 1HH2 ARG 77 6.072 -0.998 -19.313 586 2HH2 ARG 77 2HH2 ARG 77 6.295 -2.358 -20.361 587 H ARG 78 H ARG 78 2.314 -5.766 -17.968 588 HA ARG 78 HA ARG 78 1.118 -8.406 -18.075 589 1HB ARG 78 2HB ARG 78 1.964 -8.433 -20.400 590 2HB ARG 78 3HB ARG 78 0.972 -7.023 -20.058 591 1HG ARG 78 2HG ARG 78 2.637 -5.914 -21.064 592 2HG ARG 78 3HG ARG 78 3.425 -6.048 -19.490 593 1HD ARG 78 2HD ARG 78 5.058 -6.800 -20.959 594 2HD ARG 78 3HD ARG 78 4.322 -8.295 -20.384 595 HE ARG 78 HE ARG 78 2.914 -7.780 -22.615 596 1HH1 ARG 78 1HH1 ARG 78 6.333 -7.876 -21.967 597 2HH1 ARG 78 2HH1 ARG 78 6.755 -8.381 -23.569 598 1HH2 ARG 78 1HH2 ARG 78 3.457 -8.445 -24.729 599 2HH2 ARG 78 2HH2 ARG 78 5.118 -8.703 -25.140 600 H SER 79 H SER 79 4.355 -6.970 -18.110 601 HA SER 79 HA SER 79 5.442 -9.618 -17.420 602 1HB SER 79 2HB SER 79 6.460 -7.615 -19.419 603 2HB SER 79 3HB SER 79 7.564 -8.751 -18.643 604 HG SER 79 HG SER 79 6.891 -10.168 -20.022 605 H ARG 80 H ARG 80 7.941 -9.122 -16.755 606 HA ARG 80 HA ARG 80 9.321 -8.313 -15.137 607 1HB ARG 80 2HB ARG 80 7.655 -5.798 -15.159 608 2HB ARG 80 3HB ARG 80 9.338 -5.972 -14.678 609 1HG ARG 80 2HG ARG 80 8.309 -6.381 -17.477 610 2HG ARG 80 3HG ARG 80 9.047 -4.894 -16.879 611 1HD ARG 80 2HD ARG 80 10.796 -6.985 -16.191 612 2HD ARG 80 3HD ARG 80 10.301 -7.281 -17.857 613 HE ARG 80 HE ARG 80 11.971 -5.149 -16.898 614 1HH1 ARG 80 1HH1 ARG 80 9.797 -6.166 -19.420 615 2HH1 ARG 80 2HH1 ARG 80 10.459 -5.087 -20.604 616 1HH2 ARG 80 1HH2 ARG 80 12.850 -3.725 -18.447 617 2HH2 ARG 80 2HH2 ARG 80 12.196 -3.700 -20.050 618 H PHE 81 H PHE 81 6.449 -9.392 -14.623 619 HA PHE 81 HA PHE 81 6.550 -8.921 -11.731 620 1HB PHE 81 2HB PHE 81 4.195 -8.518 -13.544 621 2HB PHE 81 3HB PHE 81 3.944 -9.014 -11.874 622 HD1 PHE 81 HD1 PHE 81 4.633 -6.287 -14.091 623 HD2 PHE 81 HD2 PHE 81 4.852 -7.551 -10.033 624 HE1 PHE 81 HE1 PHE 81 4.819 -3.941 -13.374 625 HE2 PHE 81 HE2 PHE 81 5.037 -5.207 -9.309 626 HZ PHE 81 HZ PHE 81 5.020 -3.398 -10.980 627 H ASP 82 H ASP 82 6.822 -10.817 -10.780 628 HA ASP 82 HA ASP 82 5.995 -13.261 -12.130 629 1HB ASP 82 2HB ASP 82 7.289 -14.415 -10.391 630 2HB ASP 82 3HB ASP 82 8.250 -13.162 -11.172 631 H ARG 83 H ARG 83 5.431 -11.567 -9.068 632 HA ARG 83 HA ARG 83 3.273 -13.447 -8.438 633 1HB ARG 83 2HB ARG 83 5.053 -11.707 -6.862 634 2HB ARG 83 3HB ARG 83 3.385 -11.751 -6.307 635 1HG ARG 83 2HG ARG 83 3.688 -14.334 -6.492 636 2HG ARG 83 3HG ARG 83 5.405 -13.938 -6.409 637 1HD ARG 83 2HD ARG 83 4.823 -12.562 -4.348 638 2HD ARG 83 3HD ARG 83 3.259 -13.375 -4.382 639 HE ARG 83 HE ARG 83 5.308 -15.297 -4.488 640 1HH1 ARG 83 1HH1 ARG 83 3.870 -13.011 -2.291 641 2HH1 ARG 83 2HH1 ARG 83 4.267 -13.925 -0.874 642 1HH2 ARG 83 1HH2 ARG 83 5.837 -16.510 -2.629 643 2HH2 ARG 83 2HH2 ARG 83 5.386 -15.915 -1.067 644 HA PRO 84 HA PRO 84 0.021 -10.657 -9.377 645 1HB PRO 84 2HB PRO 84 -1.732 -11.103 -7.353 646 2HB PRO 84 3HB PRO 84 -1.444 -12.270 -8.649 647 1HG PRO 84 2HG PRO 84 -0.332 -12.211 -5.870 648 2HG PRO 84 3HG PRO 84 -0.953 -13.589 -6.798 649 1HD PRO 84 2HD PRO 84 1.695 -13.086 -6.532 650 2HD PRO 84 3HD PRO 84 1.006 -13.831 -7.989 651 HA PRO 85 HA PRO 85 0.892 -6.926 -7.142 652 1HB PRO 85 2HB PRO 85 -0.958 -5.357 -8.362 653 2HB PRO 85 3HB PRO 85 0.554 -5.842 -9.140 654 1HG PRO 85 2HG PRO 85 -2.191 -6.995 -9.451 655 2HG PRO 85 3HG PRO 85 -0.977 -6.644 -10.695 656 1HD PRO 85 2HD PRO 85 -1.392 -9.139 -9.728 657 2HD PRO 85 3HD PRO 85 0.203 -8.577 -10.268 658 H ALA 86 H ALA 86 -0.073 -5.547 -5.589 659 HA ALA 86 HA ALA 86 -2.212 -6.785 -4.110 660 1HB ALA 86 1HB ALA 86 -1.834 -4.722 -2.613 661 2HB ALA 86 2HB ALA 86 -0.550 -5.926 -2.730 662 3HB ALA 86 3HB ALA 86 -0.434 -4.420 -3.642 663 H ARG 87 H ARG 87 -3.467 -6.288 -6.320 664 HA ARG 87 HA ARG 87 -4.834 -3.700 -6.026 665 1HB ARG 87 2HB ARG 87 -4.865 -5.571 -8.400 666 2HB ARG 87 3HB ARG 87 -5.547 -3.951 -8.331 667 1HG ARG 87 2HG ARG 87 -2.630 -4.409 -7.850 668 2HG ARG 87 3HG ARG 87 -3.280 -4.293 -9.487 669 1HD ARG 87 2HD ARG 87 -3.848 -2.204 -7.407 670 2HD ARG 87 3HD ARG 87 -2.387 -2.154 -8.393 671 HE ARG 87 HE ARG 87 -4.546 -2.444 -10.120 672 1HH1 ARG 87 1HH1 ARG 87 -3.322 -0.108 -7.847 673 2HH1 ARG 87 2HH1 ARG 87 -3.991 1.252 -8.686 674 1HH2 ARG 87 1HH2 ARG 87 -5.432 -0.661 -11.234 675 2HH2 ARG 87 2HH2 ARG 87 -5.191 0.937 -10.612 676 H ARG 88 H ARG 88 -5.632 -7.029 -7.044 677 HA ARG 88 HA ARG 88 -7.956 -6.987 -5.283 678 1HB ARG 88 2HB ARG 88 -9.495 -7.673 -7.034 679 2HB ARG 88 3HB ARG 88 -8.768 -6.125 -7.446 680 1HG ARG 88 2HG ARG 88 -7.092 -7.509 -8.815 681 2HG ARG 88 3HG ARG 88 -8.263 -8.818 -8.649 682 1HD ARG 88 2HD ARG 88 -9.849 -7.741 -9.922 683 2HD ARG 88 3HD ARG 88 -9.198 -6.141 -9.568 684 HE ARG 88 HE ARG 88 -7.231 -7.275 -11.020 685 1HH1 ARG 88 1HH1 ARG 88 -10.659 -6.943 -11.527 686 2HH1 ARG 88 2HH1 ARG 88 -10.531 -6.893 -13.254 687 1HH2 ARG 88 1HH2 ARG 88 -7.049 -7.210 -13.293 688 2HH2 ARG 88 2HH2 ARG 88 -8.477 -7.045 -14.258 689 H LYS 89 H LYS 89 -8.641 -9.012 -4.623 690 HA LYS 89 HA LYS 89 -6.782 -11.040 -4.411 691 1HB LYS 89 2HB LYS 89 -8.815 -12.514 -3.910 692 2HB LYS 89 3HB LYS 89 -8.578 -11.097 -2.896 693 1HG LYS 89 2HG LYS 89 -10.284 -9.895 -4.066 694 2HG LYS 89 3HG LYS 89 -10.434 -11.183 -5.264 695 1HD LYS 89 2HD LYS 89 -10.766 -12.299 -2.658 696 2HD LYS 89 3HD LYS 89 -11.822 -10.894 -2.816 697 1HE LYS 89 2HE LYS 89 -12.673 -11.834 -4.945 698 2HE LYS 89 3HE LYS 89 -11.687 -13.270 -4.670 699 1HZ LYS 89 1HZ LYS 89 -13.945 -13.646 -3.951 700 2HZ LYS 89 2HZ LYS 89 -13.888 -12.302 -2.926 701 3HZ LYS 89 3HZ LYS 89 -12.916 -13.650 -2.608 702 H LEU 90 H LEU 90 -9.362 -10.660 -6.804 703 HA LEU 90 HA LEU 90 -9.772 -11.687 -8.792 704 1HB LEU 90 2HB LEU 90 -7.461 -10.767 -9.160 705 2HB LEU 90 3HB LEU 90 -6.840 -12.368 -8.764 706 HG LEU 90 HG LEU 90 -8.856 -12.351 -10.893 707 1HD1 LEU 90 1HD1 LEU 90 -7.899 -10.319 -11.593 708 2HD1 LEU 90 2HD1 LEU 90 -7.115 -11.566 -12.561 709 3HD1 LEU 90 3HD1 LEU 90 -6.268 -10.854 -11.188 710 1HD2 LEU 90 1HD2 LEU 90 -6.686 -13.580 -11.885 711 2HD2 LEU 90 2HD2 LEU 90 -7.847 -14.371 -10.817 712 3HD2 LEU 90 3HD2 LEU 90 -6.345 -13.719 -10.160 713 H LEU 91 H LEU 91 -11.050 -13.336 -7.868 714 HA LEU 91 HA LEU 91 -9.829 -15.987 -8.084 715 1HB LEU 91 2HB LEU 91 -10.158 -14.964 -5.644 716 2HB LEU 91 3HB LEU 91 -11.784 -15.597 -5.890 717 HG LEU 91 HG LEU 91 -10.447 -17.192 -4.664 718 1HD1 LEU 91 1HD1 LEU 91 -11.044 -19.074 -5.850 719 2HD1 LEU 91 2HD1 LEU 91 -10.604 -18.367 -7.404 720 3HD1 LEU 91 3HD1 LEU 91 -12.077 -17.847 -6.584 721 1HD2 LEU 91 1HD2 LEU 91 -8.461 -16.524 -6.716 722 2HD2 LEU 91 2HD2 LEU 91 -8.582 -18.243 -6.339 723 3HD2 LEU 91 3HD2 LEU 91 -8.240 -17.080 -5.057 724 H GLU 92 H GLU 92 -12.823 -14.123 -7.699 725 HA GLU 92 HA GLU 92 -14.583 -16.157 -8.535 726 1HB GLU 92 2HB GLU 92 -14.811 -13.518 -7.642 727 2HB GLU 92 3HB GLU 92 -15.506 -13.507 -9.257 728 1HG GLU 92 2HG GLU 92 -17.212 -14.931 -8.686 729 2HG GLU 92 3HG GLU 92 -16.315 -15.642 -7.345 730 H VAL 93 H VAL 93 -12.573 -13.923 -10.282 731 HA VAL 93 HA VAL 93 -13.860 -14.584 -12.822 732 HB VAL 93 HB VAL 93 -11.523 -12.728 -12.378 733 1HG1 VAL 93 1HG1 VAL 93 -13.323 -13.358 -14.675 734 2HG1 VAL 93 2HG1 VAL 93 -12.623 -11.745 -14.531 735 3HG1 VAL 93 3HG1 VAL 93 -11.571 -13.156 -14.642 736 1HG2 VAL 93 1HG2 VAL 93 -13.682 -11.120 -12.844 737 2HG2 VAL 93 2HG2 VAL 93 -14.371 -12.372 -11.811 738 3HG2 VAL 93 3HG2 VAL 93 -12.979 -11.442 -11.259 739 H LEU 94 H LEU 94 -12.704 -15.463 -14.583 740 HA LEU 94 HA LEU 94 -10.008 -16.295 -14.440 741 1HB LEU 94 2HB LEU 94 -10.190 -18.615 -14.084 742 2HB LEU 94 3HB LEU 94 -11.100 -17.846 -12.786 743 HG LEU 94 HG LEU 94 -12.409 -19.673 -13.409 744 1HD1 LEU 94 1HD1 LEU 94 -13.590 -17.440 -13.357 745 2HD1 LEU 94 2HD1 LEU 94 -14.419 -18.736 -14.218 746 3HD1 LEU 94 3HD1 LEU 94 -13.563 -17.485 -15.120 747 1HD2 LEU 94 1HD2 LEU 94 -11.022 -19.761 -15.687 748 2HD2 LEU 94 2HD2 LEU 94 -12.518 -19.060 -16.304 749 3HD2 LEU 94 3HD2 LEU 94 -12.551 -20.613 -15.468 750 H PHE 95 H PHE 95 -9.499 -17.897 -16.244 751 HA PHE 95 HA PHE 95 -11.304 -18.408 -18.325 752 1HB PHE 95 2HB PHE 95 -10.339 -15.708 -18.258 753 2HB PHE 95 3HB PHE 95 -9.691 -16.515 -19.682 754 HD1 PHE 95 HD1 PHE 95 -11.732 -18.225 -20.635 755 HD2 PHE 95 HD2 PHE 95 -12.129 -14.397 -18.818 756 HE1 PHE 95 HE1 PHE 95 -13.877 -17.901 -21.795 757 HE2 PHE 95 HE2 PHE 95 -14.276 -14.067 -19.974 758 HZ PHE 95 HZ PHE 95 -15.153 -15.820 -21.464 759 H ASN 96 H ASN 96 -10.300 -20.347 -18.552 760 HA ASN 96 HA ASN 96 -8.062 -20.559 -20.217 761 1HB ASN 96 2HB ASN 96 -6.550 -21.691 -18.440 762 2HB ASN 96 3HB ASN 96 -6.587 -19.932 -18.515 763 1HD2 ASN 96 1HD2 ASN 96 -7.075 -18.841 -16.734 764 2HD2 ASN 96 2HD2 ASN 96 -7.690 -19.533 -15.274 765 H GLY 97 H GLY 97 -10.548 -21.696 -20.243 766 1HA GLY 97 2HA GLY 97 -9.852 -24.525 -20.131 767 2HA GLY 97 3HA GLY 97 -11.224 -24.022 -19.156 768 HA PRO 98 HA PRO 98 -13.940 -24.330 -22.575 769 1HB PRO 98 2HB PRO 98 -15.503 -22.120 -22.359 770 2HB PRO 98 3HB PRO 98 -15.611 -23.487 -21.243 771 1HG PRO 98 2HG PRO 98 -14.199 -20.869 -20.902 772 2HG PRO 98 3HG PRO 98 -15.191 -21.765 -19.737 773 1HD PRO 98 2HD PRO 98 -12.484 -21.814 -19.686 774 2HD PRO 98 3HD PRO 98 -13.474 -23.201 -19.187 775 H LEU 99 H LEU 99 -12.173 -21.317 -22.276 776 HA LEU 99 HA LEU 99 -12.698 -20.573 -25.035 777 1HB LEU 99 2HB LEU 99 -12.475 -18.989 -23.006 778 2HB LEU 99 3HB LEU 99 -10.740 -19.213 -23.222 779 HG LEU 99 HG LEU 99 -11.083 -18.395 -25.605 780 1HD1 LEU 99 1HD1 LEU 99 -13.498 -16.958 -24.732 781 2HD1 LEU 99 2HD1 LEU 99 -13.714 -18.671 -25.090 782 3HD1 LEU 99 3HD1 LEU 99 -13.059 -17.589 -26.319 783 1HD2 LEU 99 1HD2 LEU 99 -10.603 -16.252 -24.964 784 2HD2 LEU 99 2HD2 LEU 99 -10.311 -17.102 -23.446 785 3HD2 LEU 99 3HD2 LEU 99 -11.829 -16.237 -23.696 786 H GLU 100 H GLU 100 -11.437 -21.084 -26.700 787 HA GLU 100 HA GLU 100 -9.223 -22.808 -26.426 788 1HB GLU 100 2HB GLU 100 -10.780 -21.702 -28.560 789 2HB GLU 100 3HB GLU 100 -9.075 -21.518 -28.946 790 1HG GLU 100 2HG GLU 100 -10.575 -24.052 -28.368 791 2HG GLU 100 3HG GLU 100 -9.770 -23.578 -29.863 792 H HIS 101 H HIS 101 -9.430 -19.349 -27.206 793 HA HIS 101 HA HIS 101 -7.144 -18.595 -25.823 794 1HB HIS 101 2HB HIS 101 -5.375 -18.910 -27.171 795 2HB HIS 101 3HB HIS 101 -6.403 -20.020 -28.073 796 HD1 HIS 101 HD1 HIS 101 -4.923 -16.591 -28.216 797 HD2 HIS 101 HD2 HIS 101 -7.298 -19.075 -30.551 798 HE1 HIS 101 HE1 HIS 101 -5.009 -15.504 -30.481 Start of MODEL 18 1 1H MET 1 H MET 1 1.719 -1.557 0.093 2 HA MET 1 HA MET 1 2.190 -2.504 -2.264 3 1HB MET 1 2HB MET 1 0.697 -0.062 -2.722 4 2HB MET 1 3HB MET 1 2.238 -0.033 -3.567 5 1HG MET 1 2HG MET 1 0.159 -2.198 -3.783 6 2HG MET 1 3HG MET 1 0.445 -0.919 -4.961 7 1HE MET 1 1HE MET 1 4.100 -1.794 -6.148 8 2HE MET 1 2HE MET 1 2.718 -0.733 -6.420 9 3HE MET 1 3HE MET 1 3.583 -0.679 -4.883 10 H LYS 2 H LYS 2 4.210 -1.830 -3.382 11 HA LYS 2 HA LYS 2 5.939 -0.291 -1.557 12 1HB LYS 2 2HB LYS 2 6.774 -2.558 -3.373 13 2HB LYS 2 3HB LYS 2 7.786 -1.721 -2.203 14 1HG LYS 2 2HG LYS 2 6.399 -2.589 -0.385 15 2HG LYS 2 3HG LYS 2 5.396 -3.438 -1.563 16 1HD LYS 2 2HD LYS 2 7.401 -4.691 -2.302 17 2HD LYS 2 3HD LYS 2 8.331 -3.896 -1.030 18 1HE LYS 2 2HE LYS 2 7.717 -5.994 -0.152 19 2HE LYS 2 3HE LYS 2 6.628 -4.829 0.600 20 1HZ LYS 2 1HZ LYS 2 5.016 -6.181 -0.083 21 2HZ LYS 2 2HZ LYS 2 6.028 -7.028 -1.140 22 3HZ LYS 2 3HZ LYS 2 5.298 -5.586 -1.641 23 H VAL 3 H VAL 3 7.388 1.167 -2.422 24 HA VAL 3 HA VAL 3 7.266 1.590 -5.333 25 HB VAL 3 HB VAL 3 7.641 4.062 -3.851 26 1HG1 VAL 3 1HG1 VAL 3 7.192 4.243 -6.132 27 2HG1 VAL 3 2HG1 VAL 3 5.878 3.067 -6.063 28 3HG1 VAL 3 3HG1 VAL 3 5.662 4.675 -5.370 29 1HG2 VAL 3 1HG2 VAL 3 5.010 2.624 -3.508 30 2HG2 VAL 3 2HG2 VAL 3 6.173 2.970 -2.227 31 3HG2 VAL 3 3HG2 VAL 3 5.345 4.294 -3.048 32 H TYR 4 H TYR 4 9.162 2.077 -6.314 33 HA TYR 4 HA TYR 4 11.521 2.418 -4.580 34 1HB TYR 4 2HB TYR 4 12.197 0.454 -5.446 35 2HB TYR 4 3HB TYR 4 10.977 0.496 -6.714 36 HD1 TYR 4 HD1 TYR 4 11.663 0.735 -8.912 37 HD2 TYR 4 HD2 TYR 4 14.235 2.079 -5.801 38 HE1 TYR 4 HE1 TYR 4 13.403 1.236 -10.576 39 HE2 TYR 4 HE2 TYR 4 15.982 2.585 -7.456 40 HH TYR 4 HH TYR 4 16.529 2.621 -9.604 41 H VAL 5 H VAL 5 12.345 4.382 -4.781 42 HA VAL 5 HA VAL 5 12.287 5.671 -7.433 43 HB VAL 5 HB VAL 5 12.413 7.849 -6.055 44 1HG1 VAL 5 1HG1 VAL 5 10.191 8.147 -6.421 45 2HG1 VAL 5 2HG1 VAL 5 10.401 6.642 -7.318 46 3HG1 VAL 5 3HG1 VAL 5 9.749 6.609 -5.679 47 1HG2 VAL 5 1HG2 VAL 5 12.841 6.839 -3.889 48 2HG2 VAL 5 2HG2 VAL 5 11.316 7.725 -3.856 49 3HG2 VAL 5 3HG2 VAL 5 11.311 5.965 -3.971 50 H GLY 6 H GLY 6 14.303 5.382 -8.200 51 1HA GLY 6 2HA GLY 6 16.540 6.161 -6.430 52 2HA GLY 6 3HA GLY 6 16.664 4.874 -7.621 53 H ASN 7 H ASN 7 18.523 6.059 -8.417 54 HA ASN 7 HA ASN 7 19.544 7.361 -9.978 55 1HB ASN 7 2HB ASN 7 16.711 7.339 -10.907 56 2HB ASN 7 3HB ASN 7 17.805 8.511 -11.636 57 1HD2 ASN 7 1HD2 ASN 7 17.587 5.070 -10.827 58 2HD2 ASN 7 2HD2 ASN 7 18.419 4.510 -12.234 59 H LEU 8 H LEU 8 19.739 8.610 -7.799 60 HA LEU 8 HA LEU 8 18.531 11.277 -8.074 61 1HB LEU 8 2HB LEU 8 19.995 10.303 -5.648 62 2HB LEU 8 3HB LEU 8 18.799 11.591 -5.775 63 HG LEU 8 HG LEU 8 18.285 8.621 -5.885 64 1HD1 LEU 8 1HD1 LEU 8 16.732 9.623 -3.917 65 2HD1 LEU 8 2HD1 LEU 8 18.131 10.690 -3.801 66 3HD1 LEU 8 3HD1 LEU 8 18.340 8.945 -3.661 67 1HD2 LEU 8 1HD2 LEU 8 16.792 10.782 -7.011 68 2HD2 LEU 8 2HD2 LEU 8 15.889 10.088 -5.664 69 3HD2 LEU 8 3HD2 LEU 8 16.416 9.059 -6.997 70 H GLY 9 H GLY 9 19.933 12.196 -9.555 71 1HA GLY 9 2HA GLY 9 22.685 12.007 -9.665 72 2HA GLY 9 3HA GLY 9 21.774 13.419 -10.182 73 H THR 10 H THR 10 20.901 14.674 -8.103 74 HA THR 10 HA THR 10 22.405 14.727 -5.755 75 HB THR 10 HB THR 10 24.353 15.345 -6.958 76 HG1 THR 10 HG1 THR 10 23.998 16.649 -5.119 77 1HG2 THR 10 1HG2 THR 10 23.767 17.763 -8.253 78 2HG2 THR 10 2HG2 THR 10 22.475 16.651 -8.706 79 3HG2 THR 10 3HG2 THR 10 24.158 16.215 -9.001 80 H GLY 11 H GLY 11 20.610 16.534 -8.167 81 1HA GLY 11 2HA GLY 11 19.631 18.378 -6.102 82 2HA GLY 11 3HA GLY 11 19.444 18.585 -7.837 83 H ALA 12 H ALA 12 18.751 15.466 -7.466 84 HA ALA 12 HA ALA 12 15.933 15.927 -6.748 85 1HB ALA 12 1HB ALA 12 15.513 15.696 -8.945 86 2HB ALA 12 2HB ALA 12 17.053 14.898 -9.264 87 3HB ALA 12 3HB ALA 12 15.703 13.976 -8.605 88 H GLY 13 H GLY 13 15.763 14.874 -4.854 89 1HA GLY 13 2HA GLY 13 16.192 11.996 -4.864 90 2HA GLY 13 3HA GLY 13 17.160 12.905 -3.713 91 H LYS 14 H LYS 14 16.347 12.884 -1.739 92 HA LYS 14 HA LYS 14 13.882 11.911 -0.986 93 1HB LYS 14 2HB LYS 14 15.976 12.521 0.431 94 2HB LYS 14 3HB LYS 14 15.206 14.094 0.595 95 1HG LYS 14 2HG LYS 14 13.394 13.215 1.779 96 2HG LYS 14 3HG LYS 14 13.752 11.562 1.273 97 1HD LYS 14 2HD LYS 14 14.742 11.359 3.273 98 2HD LYS 14 3HD LYS 14 16.058 12.294 2.559 99 1HE LYS 14 2HE LYS 14 13.727 13.698 3.798 100 2HE LYS 14 3HE LYS 14 15.001 13.039 4.824 101 1HZ LYS 14 1HZ LYS 14 16.509 14.321 3.127 102 2HZ LYS 14 2HZ LYS 14 15.812 15.117 4.447 103 3HZ LYS 14 3HZ LYS 14 15.113 15.254 2.912 104 H GLY 15 H GLY 15 14.806 15.326 -1.414 105 1HA GLY 15 2HA GLY 15 12.261 16.390 -0.809 106 2HA GLY 15 3HA GLY 15 13.530 17.212 -1.706 107 H GLU 16 H GLU 16 13.754 15.476 -3.892 108 HA GLU 16 HA GLU 16 11.725 16.452 -5.566 109 1HB GLU 16 2HB GLU 16 14.150 15.147 -5.911 110 2HB GLU 16 3HB GLU 16 12.972 14.010 -6.552 111 1HG GLU 16 2HG GLU 16 13.640 15.318 -8.374 112 2HG GLU 16 3HG GLU 16 12.054 15.932 -7.912 113 H LEU 17 H LEU 17 12.301 13.087 -4.521 114 HA LEU 17 HA LEU 17 9.912 12.045 -5.546 115 1HB LEU 17 2HB LEU 17 10.430 10.083 -4.430 116 2HB LEU 17 3HB LEU 17 12.004 10.834 -4.684 117 HG LEU 17 HG LEU 17 11.531 11.763 -2.240 118 1HD1 LEU 17 1HD1 LEU 17 9.683 9.463 -2.585 119 2HD1 LEU 17 2HD1 LEU 17 9.505 10.925 -1.616 120 3HD1 LEU 17 3HD1 LEU 17 10.548 9.618 -1.056 121 1HD2 LEU 17 1HD2 LEU 17 12.573 9.457 -1.480 122 2HD2 LEU 17 2HD2 LEU 17 13.491 10.613 -2.445 123 3HD2 LEU 17 3HD2 LEU 17 12.727 9.225 -3.221 124 H GLU 18 H GLU 18 10.644 13.614 -2.499 125 HA GLU 18 HA GLU 18 8.311 12.903 -1.098 126 1HB GLU 18 2HB GLU 18 10.176 13.835 0.094 127 2HB GLU 18 3HB GLU 18 10.122 15.308 -0.865 128 1HG GLU 18 2HG GLU 18 8.184 16.067 0.194 129 2HG GLU 18 3HG GLU 18 7.813 14.475 0.852 130 H ARG 19 H ARG 19 9.063 15.763 -3.073 131 HA ARG 19 HA ARG 19 6.570 17.031 -2.745 132 1HB ARG 19 2HB ARG 19 8.735 18.034 -3.642 133 2HB ARG 19 3HB ARG 19 8.332 17.280 -5.178 134 1HG ARG 19 2HG ARG 19 6.891 18.889 -5.693 135 2HG ARG 19 3HG ARG 19 6.113 18.802 -4.112 136 1HD ARG 19 2HD ARG 19 6.981 20.977 -4.239 137 2HD ARG 19 3HD ARG 19 8.125 20.090 -3.233 138 HE ARG 19 HE ARG 19 9.044 19.913 -5.842 139 1HH1 ARG 19 1HH1 ARG 19 8.445 22.398 -3.477 140 2HH1 ARG 19 2HH1 ARG 19 9.683 23.450 -4.079 141 1HH2 ARG 19 1HH2 ARG 19 10.676 21.290 -6.643 142 2HH2 ARG 19 2HH2 ARG 19 10.951 22.820 -5.880 143 H ALA 20 H ALA 20 7.790 14.861 -5.274 144 HA ALA 20 HA ALA 20 5.506 14.923 -6.912 145 1HB ALA 20 1HB ALA 20 6.623 13.467 -8.207 146 2HB ALA 20 2HB ALA 20 7.974 13.824 -7.130 147 3HB ALA 20 3HB ALA 20 6.987 12.388 -6.859 148 H PHE 21 H PHE 21 6.537 12.307 -4.709 149 HA PHE 21 HA PHE 21 4.253 10.774 -4.814 150 1HB PHE 21 2HB PHE 21 6.358 11.184 -2.733 151 2HB PHE 21 3HB PHE 21 4.934 10.236 -2.318 152 HD1 PHE 21 HD1 PHE 21 5.264 7.980 -2.440 153 HD2 PHE 21 HD2 PHE 21 7.221 10.495 -5.261 154 HE1 PHE 21 HE1 PHE 21 6.271 6.001 -3.500 155 HE2 PHE 21 HE2 PHE 21 8.231 8.520 -6.326 156 HZ PHE 21 HZ PHE 21 7.756 6.269 -5.446 157 H SER 22 H SER 22 4.990 13.322 -2.436 158 HA SER 22 HA SER 22 2.615 13.222 -1.003 159 1HB SER 22 2HB SER 22 3.141 15.457 -0.229 160 2HB SER 22 3HB SER 22 4.639 14.536 -0.360 161 HG SER 22 HG SER 22 4.656 16.723 -1.269 162 H TYR 23 H TYR 23 3.395 15.041 -3.937 163 HA TYR 23 HA TYR 23 1.063 16.547 -4.144 164 1HB TYR 23 2HB TYR 23 3.225 15.716 -5.943 165 2HB TYR 23 3HB TYR 23 1.695 16.004 -6.764 166 HD1 TYR 23 HD1 TYR 23 3.244 17.720 -3.834 167 HD2 TYR 23 HD2 TYR 23 1.893 18.041 -7.855 168 HE1 TYR 23 HE1 TYR 23 3.676 20.140 -3.779 169 HE2 TYR 23 HE2 TYR 23 2.323 20.462 -7.813 170 HH TYR 23 HH TYR 23 2.504 22.269 -6.117 171 H TYR 24 H TYR 24 1.779 13.310 -5.418 172 HA TYR 24 HA TYR 24 -0.798 12.960 -6.589 173 1HB TYR 24 2HB TYR 24 1.515 11.134 -6.010 174 2HB TYR 24 3HB TYR 24 -0.021 10.479 -6.565 175 HD1 TYR 24 HD1 TYR 24 2.290 13.278 -7.487 176 HD2 TYR 24 HD2 TYR 24 -0.188 10.088 -8.825 177 HE1 TYR 24 HE1 TYR 24 2.930 13.763 -9.812 178 HE2 TYR 24 HE2 TYR 24 0.447 10.563 -11.153 179 HH TYR 24 HH TYR 24 1.358 12.908 -12.369 180 H GLY 25 H GLY 25 0.648 12.162 -3.488 181 1HA GLY 25 2HA GLY 25 -1.592 12.189 -1.955 182 2HA GLY 25 3HA GLY 25 -1.594 10.565 -2.626 183 HA PRO 26 HA PRO 26 1.343 11.141 1.132 184 1HB PRO 26 2HB PRO 26 -0.311 10.420 3.160 185 2HB PRO 26 3HB PRO 26 -0.100 12.097 2.643 186 1HG PRO 26 2HG PRO 26 -2.289 10.169 1.971 187 2HG PRO 26 3HG PRO 26 -2.403 11.886 2.402 188 1HD PRO 26 2HD PRO 26 -2.546 11.013 -0.158 189 2HD PRO 26 3HD PRO 26 -1.844 12.585 0.278 190 H LEU 27 H LEU 27 2.586 9.387 1.203 191 HA LEU 27 HA LEU 27 1.436 6.754 0.782 192 1HB LEU 27 2HB LEU 27 3.885 6.067 0.871 193 2HB LEU 27 3HB LEU 27 3.372 7.084 -0.473 194 HG LEU 27 HG LEU 27 5.622 7.574 0.701 195 1HD1 LEU 27 1HD1 LEU 27 4.302 10.132 0.660 196 2HD1 LEU 27 2HD1 LEU 27 3.780 9.133 -0.696 197 3HD1 LEU 27 3HD1 LEU 27 5.495 9.463 -0.454 198 1HD2 LEU 27 1HD2 LEU 27 4.635 7.517 2.987 199 2HD2 LEU 27 2HD2 LEU 27 3.759 8.998 2.596 200 3HD2 LEU 27 3HD2 LEU 27 5.523 8.997 2.625 201 H ARG 28 H ARG 28 2.853 5.007 2.141 202 HA ARG 28 HA ARG 28 1.911 5.318 4.833 203 1HB ARG 28 2HB ARG 28 2.208 3.163 3.279 204 2HB ARG 28 3HB ARG 28 3.752 3.096 4.118 205 1HG ARG 28 2HG ARG 28 1.737 3.559 6.054 206 2HG ARG 28 3HG ARG 28 1.206 2.235 5.015 207 1HD ARG 28 2HD ARG 28 2.987 0.891 5.593 208 2HD ARG 28 3HD ARG 28 4.007 2.257 6.039 209 HE ARG 28 HE ARG 28 1.782 2.045 7.783 210 1HH1 ARG 28 1HH1 ARG 28 4.864 0.600 7.056 211 2HH1 ARG 28 2HH1 ARG 28 5.123 0.025 8.670 212 1HH2 ARG 28 1HH2 ARG 28 2.111 1.295 9.912 213 2HH2 ARG 28 2HH2 ARG 28 3.555 0.420 10.293 214 H THR 29 H THR 29 5.137 4.829 3.395 215 HA THR 29 HA THR 29 6.344 6.618 5.290 216 HB THR 29 HB THR 29 8.023 4.649 5.908 217 HG1 THR 29 HG1 THR 29 7.158 2.844 5.157 218 1HG2 THR 29 1HG2 THR 29 7.209 4.841 8.019 219 2HG2 THR 29 2HG2 THR 29 5.544 4.542 7.519 220 3HG2 THR 29 3HG2 THR 29 6.262 6.137 7.289 221 H VAL 30 H VAL 30 8.305 7.370 4.596 222 HA VAL 30 HA VAL 30 9.366 6.172 2.119 223 HB VAL 30 HB VAL 30 10.029 8.361 1.357 224 1HG1 VAL 30 1HG1 VAL 30 8.012 8.615 0.466 225 2HG1 VAL 30 2HG1 VAL 30 7.355 7.536 1.698 226 3HG1 VAL 30 3HG1 VAL 30 7.396 9.277 1.980 227 1HG2 VAL 30 1HG2 VAL 30 10.586 9.394 3.469 228 2HG2 VAL 30 2HG2 VAL 30 9.411 10.397 2.617 229 3HG2 VAL 30 3HG2 VAL 30 8.892 9.378 3.960 230 H TRP 31 H TRP 31 11.639 6.285 1.793 231 HA TRP 31 HA TRP 31 13.360 7.223 3.900 232 1HB TRP 31 2HB TRP 31 12.409 4.807 4.457 233 2HB TRP 31 3HB TRP 31 13.680 4.308 3.343 234 HD1 TRP 31 HD1 TRP 31 13.409 6.552 6.510 235 HE1 TRP 31 HE1 TRP 31 15.542 6.198 7.906 236 HE3 TRP 31 HE3 TRP 31 15.877 3.315 3.416 237 HZ2 TRP 31 HZ2 TRP 31 17.952 4.741 7.721 238 HZ3 TRP 31 HZ3 TRP 31 18.092 2.488 4.099 239 HH2 TRP 31 HH2 TRP 31 19.106 3.188 6.207 240 H ILE 32 H ILE 32 15.469 7.482 3.234 241 HA ILE 32 HA ILE 32 15.969 6.882 0.396 242 HB ILE 32 HB ILE 32 17.459 8.921 2.035 243 1HG1 ILE 32 2HG1 ILE 32 15.077 9.505 2.079 244 2HG1 ILE 32 3HG1 ILE 32 15.979 10.630 1.070 245 1HG2 ILE 32 1HG2 ILE 32 17.366 8.099 -0.805 246 2HG2 ILE 32 2HG2 ILE 32 17.525 9.824 -0.478 247 3HG2 ILE 32 3HG2 ILE 32 18.716 8.693 0.163 248 1HD1 ILE 32 1HD1 ILE 32 15.142 9.649 -0.915 249 2HD1 ILE 32 2HD1 ILE 32 14.457 8.287 -0.029 250 3HD1 ILE 32 3HD1 ILE 32 13.769 9.899 0.162 251 H ALA 33 H ALA 33 18.012 6.114 -0.250 252 HA ALA 33 HA ALA 33 19.477 4.725 1.890 253 1HB ALA 33 1HB ALA 33 18.354 3.473 -0.077 254 2HB ALA 33 2HB ALA 33 19.739 4.041 -1.011 255 3HB ALA 33 3HB ALA 33 19.990 3.022 0.406 256 H ARG 34 H ARG 34 21.140 5.967 2.518 257 HA ARG 34 HA ARG 34 22.538 7.719 0.742 258 1HB ARG 34 2HB ARG 34 23.998 8.159 2.664 259 2HB ARG 34 3HB ARG 34 22.300 8.260 3.111 260 1HG ARG 34 2HG ARG 34 22.520 5.869 3.926 261 2HG ARG 34 3HG ARG 34 24.263 6.082 3.749 262 1HD ARG 34 2HD ARG 34 23.957 8.178 5.192 263 2HD ARG 34 3HD ARG 34 22.370 7.517 5.584 264 HE ARG 34 HE ARG 34 24.267 5.521 6.031 265 1HH1 ARG 34 1HH1 ARG 34 23.375 8.637 7.302 266 2HH1 ARG 34 2HH1 ARG 34 23.938 8.290 8.903 267 1HH2 ARG 34 1HH2 ARG 34 25.012 5.052 8.135 268 2HH2 ARG 34 2HH2 ARG 34 24.869 6.251 9.376 269 H ASN 35 H ASN 35 22.924 4.439 1.783 270 HA ASN 35 HA ASN 35 25.608 3.959 1.456 271 1HB ASN 35 2HB ASN 35 23.160 2.371 1.324 272 2HB ASN 35 3HB ASN 35 24.443 1.727 0.304 273 1HD2 ASN 35 1HD2 ASN 35 23.113 1.369 3.188 274 2HD2 ASN 35 2HD2 ASN 35 24.482 0.890 4.127 275 HA PRO 36 HA PRO 36 25.006 3.217 -3.274 276 1HB PRO 36 2HB PRO 36 22.605 3.879 -4.354 277 2HB PRO 36 3HB PRO 36 22.952 2.277 -3.693 278 1HG PRO 36 2HG PRO 36 21.499 4.572 -2.434 279 2HG PRO 36 3HG PRO 36 21.090 2.846 -2.421 280 1HD PRO 36 2HD PRO 36 22.290 4.075 -0.327 281 2HD PRO 36 3HD PRO 36 22.592 2.375 -0.737 282 HA PRO 37 HA PRO 37 25.805 7.322 -4.630 283 1HB PRO 37 2HB PRO 37 25.389 7.178 -7.309 284 2HB PRO 37 3HB PRO 37 26.777 6.428 -6.510 285 1HG PRO 37 2HG PRO 37 24.206 5.183 -7.406 286 2HG PRO 37 3HG PRO 37 25.862 4.568 -7.564 287 1HD PRO 37 2HD PRO 37 24.165 3.704 -5.639 288 2HD PRO 37 3HD PRO 37 25.920 3.804 -5.391 289 H GLY 38 H GLY 38 22.698 5.937 -5.368 290 1HA GLY 38 2HA GLY 38 21.262 8.257 -4.751 291 2HA GLY 38 3HA GLY 38 21.450 8.200 -6.498 292 H PHE 39 H PHE 39 20.363 6.243 -3.740 293 HA PHE 39 HA PHE 39 18.177 5.246 -5.425 294 1HB PHE 39 2HB PHE 39 20.365 3.685 -4.438 295 2HB PHE 39 3HB PHE 39 18.889 3.161 -3.635 296 HD1 PHE 39 HD1 PHE 39 19.844 4.208 -7.092 297 HD2 PHE 39 HD2 PHE 39 17.898 1.349 -4.611 298 HE1 PHE 39 HE1 PHE 39 19.230 2.902 -9.084 299 HE2 PHE 39 HE2 PHE 39 17.282 0.038 -6.599 300 HZ PHE 39 HZ PHE 39 17.948 0.814 -8.840 301 H ALA 40 H ALA 40 16.250 5.410 -4.478 302 HA ALA 40 HA ALA 40 16.128 5.576 -1.542 303 1HB ALA 40 1HB ALA 40 15.336 7.583 -3.504 304 2HB ALA 40 2HB ALA 40 14.060 7.185 -2.352 305 3HB ALA 40 3HB ALA 40 15.630 7.742 -1.772 306 H PHE 41 H PHE 41 14.255 4.767 -0.576 307 HA PHE 41 HA PHE 41 12.480 3.240 -2.366 308 1HB PHE 41 2HB PHE 41 13.999 2.401 0.024 309 2HB PHE 41 3HB PHE 41 12.328 1.849 -0.036 310 HD1 PHE 41 HD1 PHE 41 11.622 0.202 -1.611 311 HD2 PHE 41 HD2 PHE 41 15.597 1.719 -1.703 312 HE1 PHE 41 HE1 PHE 41 12.278 -1.619 -3.130 313 HE2 PHE 41 HE2 PHE 41 16.259 -0.098 -3.223 314 HZ PHE 41 HZ PHE 41 14.599 -1.770 -3.939 315 H VAL 42 H VAL 42 10.301 3.143 -1.840 316 HA VAL 42 HA VAL 42 9.390 4.702 0.469 317 HB VAL 42 HB VAL 42 8.230 5.082 -2.292 318 1HG1 VAL 42 1HG1 VAL 42 7.510 5.982 0.421 319 2HG1 VAL 42 2HG1 VAL 42 7.437 7.211 -0.844 320 3HG1 VAL 42 3HG1 VAL 42 6.496 5.726 -0.999 321 1HG2 VAL 42 1HG2 VAL 42 10.516 5.992 -2.136 322 2HG2 VAL 42 2HG2 VAL 42 9.300 7.255 -2.326 323 3HG2 VAL 42 3HG2 VAL 42 10.019 6.954 -0.744 324 H GLU 43 H GLU 43 7.271 4.203 1.182 325 HA GLU 43 HA GLU 43 6.170 1.710 0.062 326 1HB GLU 43 2HB GLU 43 7.348 1.513 2.316 327 2HB GLU 43 3HB GLU 43 6.029 2.470 2.975 328 1HG GLU 43 2HG GLU 43 4.431 0.792 2.403 329 2HG GLU 43 3HG GLU 43 5.642 -0.127 1.510 330 H PHE 44 H PHE 44 4.257 2.068 -0.828 331 HA PHE 44 HA PHE 44 2.618 4.297 0.120 332 1HB PHE 44 2HB PHE 44 3.090 3.064 -2.440 333 2HB PHE 44 3HB PHE 44 1.367 3.051 -2.078 334 HD1 PHE 44 HD1 PHE 44 0.780 5.471 -0.767 335 HD2 PHE 44 HD2 PHE 44 3.629 4.779 -3.853 336 HE1 PHE 44 HE1 PHE 44 0.620 7.833 -1.440 337 HE2 PHE 44 HE2 PHE 44 3.475 7.140 -4.529 338 HZ PHE 44 HZ PHE 44 1.970 8.670 -3.322 339 H GLU 45 H GLU 45 1.001 3.947 1.478 340 HA GLU 45 HA GLU 45 0.216 1.359 2.304 341 1HB GLU 45 2HB GLU 45 0.089 3.551 3.620 342 2HB GLU 45 3HB GLU 45 -1.398 3.865 2.736 343 1HG GLU 45 2HG GLU 45 -2.489 2.022 3.706 344 2HG GLU 45 3HG GLU 45 -0.978 1.352 4.318 345 H ASP 46 H ASP 46 -0.802 3.385 -0.267 346 HA ASP 46 HA ASP 46 -3.174 1.694 -0.708 347 1HB ASP 46 2HB ASP 46 -2.735 4.564 -0.944 348 2HB ASP 46 3HB ASP 46 -3.404 3.871 -2.418 349 HA PRO 47 HA PRO 47 -1.157 -0.003 -4.239 350 1HB PRO 47 2HB PRO 47 -3.347 -0.938 -5.542 351 2HB PRO 47 3HB PRO 47 -2.687 -1.711 -4.096 352 1HG PRO 47 2HG PRO 47 -5.004 0.168 -4.349 353 2HG PRO 47 3HG PRO 47 -4.865 -1.314 -3.385 354 1HD PRO 47 2HD PRO 47 -4.583 1.155 -2.310 355 2HD PRO 47 3HD PRO 47 -3.699 -0.258 -1.700 356 H ARG 48 H ARG 48 -4.167 1.777 -4.965 357 HA ARG 48 HA ARG 48 -3.500 2.413 -7.618 358 1HB ARG 48 2HB ARG 48 -5.257 4.096 -5.837 359 2HB ARG 48 3HB ARG 48 -5.352 3.906 -7.583 360 1HG ARG 48 2HG ARG 48 -5.940 1.502 -7.197 361 2HG ARG 48 3HG ARG 48 -6.057 1.880 -5.478 362 1HD ARG 48 2HD ARG 48 -7.551 3.599 -7.382 363 2HD ARG 48 3HD ARG 48 -8.160 1.969 -7.098 364 HE ARG 48 HE ARG 48 -7.793 2.898 -4.600 365 1HH1 ARG 48 1HH1 ARG 48 -9.406 4.217 -7.389 366 2HH1 ARG 48 2HH1 ARG 48 -10.570 5.101 -6.459 367 1HH2 ARG 48 1HH2 ARG 48 -9.321 4.057 -3.365 368 2HH2 ARG 48 2HH2 ARG 48 -10.521 5.010 -4.171 369 H ASP 49 H ASP 49 -2.706 3.932 -4.578 370 HA ASP 49 HA ASP 49 -1.838 6.420 -5.643 371 1HB ASP 49 2HB ASP 49 -1.088 5.051 -3.051 372 2HB ASP 49 3HB ASP 49 -0.757 6.736 -3.445 373 H ALA 50 H ALA 50 -0.275 3.333 -5.057 374 HA ALA 50 HA ALA 50 2.381 4.282 -5.539 375 1HB ALA 50 1HB ALA 50 2.803 2.353 -4.525 376 2HB ALA 50 2HB ALA 50 1.138 1.815 -4.746 377 3HB ALA 50 3HB ALA 50 2.334 1.524 -6.010 378 H GLU 51 H GLU 51 -0.023 2.512 -7.463 379 HA GLU 51 HA GLU 51 1.592 2.217 -9.762 380 1HB GLU 51 2HB GLU 51 -0.500 0.921 -9.244 381 2HB GLU 51 3HB GLU 51 -1.424 2.353 -9.677 382 1HG GLU 51 2HG GLU 51 -1.091 2.072 -11.886 383 2HG GLU 51 3HG GLU 51 0.538 1.433 -11.672 384 H ASP 52 H ASP 52 -0.705 4.698 -8.749 385 HA ASP 52 HA ASP 52 -0.618 6.165 -11.188 386 1HB ASP 52 2HB ASP 52 -1.559 6.817 -8.402 387 2HB ASP 52 3HB ASP 52 -1.571 8.024 -9.685 388 H ALA 53 H ALA 53 0.888 6.692 -8.003 389 HA ALA 53 HA ALA 53 2.309 8.999 -8.593 390 1HB ALA 53 1HB ALA 53 2.785 6.756 -6.670 391 2HB ALA 53 2HB ALA 53 3.946 8.076 -6.820 392 3HB ALA 53 3HB ALA 53 2.281 8.415 -6.348 393 H VAL 54 H VAL 54 3.360 5.615 -8.927 394 HA VAL 54 HA VAL 54 5.926 6.198 -9.944 395 HB VAL 54 HB VAL 54 4.225 3.726 -10.294 396 1HG1 VAL 54 1HG1 VAL 54 6.354 2.598 -10.851 397 2HG1 VAL 54 2HG1 VAL 54 5.884 3.807 -12.047 398 3HG1 VAL 54 3HG1 VAL 54 7.151 4.171 -10.875 399 1HG2 VAL 54 1HG2 VAL 54 6.603 3.717 -8.556 400 2HG2 VAL 54 2HG2 VAL 54 5.248 4.693 -7.988 401 3HG2 VAL 54 3HG2 VAL 54 5.021 2.976 -8.320 402 H ARG 55 H ARG 55 2.940 5.204 -11.620 403 HA ARG 55 HA ARG 55 3.857 5.247 -14.219 404 1HB ARG 55 2HB ARG 55 1.185 5.762 -12.978 405 2HB ARG 55 3HB ARG 55 1.397 6.049 -14.700 406 1HG ARG 55 2HG ARG 55 2.145 3.728 -14.980 407 2HG ARG 55 3HG ARG 55 1.878 3.450 -13.257 408 1HD ARG 55 2HD ARG 55 -0.447 3.704 -13.465 409 2HD ARG 55 3HD ARG 55 -0.305 4.459 -15.053 410 HE ARG 55 HE ARG 55 0.736 1.925 -15.329 411 1HH1 ARG 55 1HH1 ARG 55 -2.314 3.321 -14.400 412 2HH1 ARG 55 2HH1 ARG 55 -3.252 1.988 -14.988 413 1HH2 ARG 55 1HH2 ARG 55 -0.487 0.164 -16.108 414 2HH2 ARG 55 2HH2 ARG 55 -2.211 0.192 -15.959 415 H GLY 56 H GLY 56 2.715 7.950 -12.241 416 1HA GLY 56 2HA GLY 56 2.868 9.881 -14.337 417 2HA GLY 56 3HA GLY 56 2.728 10.222 -12.619 418 H LEU 57 H LEU 57 4.872 9.549 -11.403 419 HA LEU 57 HA LEU 57 6.828 11.369 -12.062 420 1HB LEU 57 2HB LEU 57 6.730 8.945 -10.359 421 2HB LEU 57 3HB LEU 57 8.322 9.601 -10.737 422 HG LEU 57 HG LEU 57 7.773 11.690 -9.683 423 1HD1 LEU 57 1HD1 LEU 57 5.020 10.591 -9.762 424 2HD1 LEU 57 2HD1 LEU 57 5.594 12.237 -10.028 425 3HD1 LEU 57 3HD1 LEU 57 5.461 11.604 -8.387 426 1HD2 LEU 57 1HD2 LEU 57 6.817 10.457 -7.412 427 2HD2 LEU 57 2HD2 LEU 57 8.511 10.605 -7.879 428 3HD2 LEU 57 3HD2 LEU 57 7.608 9.145 -8.286 429 H ASP 58 H ASP 58 6.939 7.857 -12.667 430 HA ASP 58 HA ASP 58 9.327 7.976 -14.197 431 1HB ASP 58 2HB ASP 58 8.706 5.905 -13.126 432 2HB ASP 58 3HB ASP 58 7.179 5.858 -14.003 433 H GLY 59 H GLY 59 5.925 8.230 -14.979 434 1HA GLY 59 2HA GLY 59 6.238 7.902 -17.801 435 2HA GLY 59 3HA GLY 59 4.826 8.549 -16.979 436 H LYS 60 H LYS 60 6.853 10.496 -15.666 437 HA LYS 60 HA LYS 60 7.736 12.171 -17.805 438 1HB LYS 60 2HB LYS 60 5.326 12.638 -17.912 439 2HB LYS 60 3HB LYS 60 5.331 13.074 -16.209 440 1HG LYS 60 2HG LYS 60 5.326 15.067 -17.546 441 2HG LYS 60 3HG LYS 60 6.879 14.925 -16.718 442 1HD LYS 60 2HD LYS 60 7.890 14.036 -18.757 443 2HD LYS 60 3HD LYS 60 6.335 14.150 -19.585 444 1HE LYS 60 2HE LYS 60 6.343 16.547 -19.373 445 2HE LYS 60 3HE LYS 60 7.798 16.494 -18.379 446 1HZ LYS 60 1HZ LYS 60 7.514 16.052 -21.273 447 2HZ LYS 60 2HZ LYS 60 8.797 15.327 -20.443 448 3HZ LYS 60 3HZ LYS 60 8.633 17.011 -20.441 449 H VAL 61 H VAL 61 9.463 13.221 -17.080 450 HA VAL 61 HA VAL 61 10.497 13.055 -14.547 451 HB VAL 61 HB VAL 61 12.027 14.800 -15.106 452 1HG1 VAL 61 1HG1 VAL 61 11.906 12.600 -16.496 453 2HG1 VAL 61 2HG1 VAL 61 11.424 13.677 -17.808 454 3HG1 VAL 61 3HG1 VAL 61 12.979 13.902 -17.006 455 1HG2 VAL 61 1HG2 VAL 61 9.796 15.746 -16.803 456 2HG2 VAL 61 2HG2 VAL 61 10.962 16.661 -15.847 457 3HG2 VAL 61 3HG2 VAL 61 11.429 16.007 -17.416 458 H ILE 62 H ILE 62 10.876 14.794 -12.945 459 HA ILE 62 HA ILE 62 8.483 16.486 -12.625 460 HB ILE 62 HB ILE 62 8.371 14.779 -10.961 461 1HG1 ILE 62 2HG1 ILE 62 8.311 17.415 -10.367 462 2HG1 ILE 62 3HG1 ILE 62 7.949 16.149 -9.198 463 1HG2 ILE 62 1HG2 ILE 62 10.617 13.949 -10.999 464 2HG2 ILE 62 2HG2 ILE 62 11.240 15.466 -10.351 465 3HG2 ILE 62 3HG2 ILE 62 10.234 14.424 -9.345 466 1HD1 ILE 62 1HD1 ILE 62 10.114 16.293 -8.251 467 2HD1 ILE 62 2HD1 ILE 62 10.688 17.327 -9.560 468 3HD1 ILE 62 3HD1 ILE 62 9.503 17.940 -8.407 469 H CYS 63 H CYS 63 8.867 18.594 -12.588 470 HA CYS 63 HA CYS 63 10.010 20.570 -12.637 471 1HB CYS 63 2HB CYS 63 9.827 19.887 -10.143 472 2HB CYS 63 3HB CYS 63 11.550 19.552 -10.264 473 HG CYS 63 HG CYS 63 12.232 21.949 -9.691 474 H GLY 64 H GLY 64 11.139 18.568 -14.303 475 1HA GLY 64 2HA GLY 64 12.994 18.481 -15.683 476 2HA GLY 64 3HA GLY 64 13.749 19.714 -14.684 477 H SER 65 H SER 65 12.496 16.680 -13.446 478 HA SER 65 HA SER 65 15.261 15.761 -13.020 479 1HB SER 65 2HB SER 65 13.102 15.205 -11.007 480 2HB SER 65 3HB SER 65 14.852 15.206 -10.787 481 HG SER 65 HG SER 65 14.780 17.495 -11.067 482 H ARG 66 H ARG 66 15.385 14.144 -14.473 483 HA ARG 66 HA ARG 66 13.189 12.365 -14.988 484 1HB ARG 66 2HB ARG 66 14.806 11.189 -16.455 485 2HB ARG 66 3HB ARG 66 14.698 12.911 -16.794 486 1HG ARG 66 2HG ARG 66 16.869 13.171 -16.454 487 2HG ARG 66 3HG ARG 66 16.760 12.416 -14.863 488 1HD ARG 66 2HD ARG 66 16.603 10.217 -16.341 489 2HD ARG 66 3HD ARG 66 17.473 11.232 -17.491 490 HE ARG 66 HE ARG 66 18.527 10.040 -15.134 491 1HH1 ARG 66 1HH1 ARG 66 18.747 12.863 -17.159 492 2HH1 ARG 66 2HH1 ARG 66 20.389 13.206 -16.727 493 1HH2 ARG 66 1HH2 ARG 66 20.689 10.480 -14.557 494 2HH2 ARG 66 2HH2 ARG 66 21.493 11.849 -15.247 495 H VAL 67 H VAL 67 13.327 12.051 -12.436 496 HA VAL 67 HA VAL 67 15.231 10.248 -11.397 497 HB VAL 67 HB VAL 67 13.610 11.731 -10.092 498 1HG1 VAL 67 1HG1 VAL 67 11.572 10.941 -11.240 499 2HG1 VAL 67 2HG1 VAL 67 11.788 9.360 -10.487 500 3HG1 VAL 67 3HG1 VAL 67 11.474 10.779 -9.487 501 1HG2 VAL 67 1HG2 VAL 67 15.137 9.919 -9.183 502 2HG2 VAL 67 2HG2 VAL 67 13.759 10.363 -8.177 503 3HG2 VAL 67 3HG2 VAL 67 13.711 8.883 -9.134 504 H ARG 68 H ARG 68 14.732 8.039 -10.607 505 HA ARG 68 HA ARG 68 13.250 6.553 -12.667 506 1HB ARG 68 2HB ARG 68 15.727 6.123 -12.340 507 2HB ARG 68 3HB ARG 68 15.319 5.445 -10.770 508 1HG ARG 68 2HG ARG 68 15.537 3.633 -12.271 509 2HG ARG 68 3HG ARG 68 13.811 3.836 -11.967 510 1HD ARG 68 2HD ARG 68 14.298 3.440 -14.343 511 2HD ARG 68 3HD ARG 68 13.548 5.011 -14.068 512 HE ARG 68 HE ARG 68 15.462 6.022 -14.820 513 1HH1 ARG 68 1HH1 ARG 68 16.114 2.666 -14.161 514 2HH1 ARG 68 2HH1 ARG 68 17.696 2.700 -14.867 515 1HH2 ARG 68 1HH2 ARG 68 17.543 6.079 -15.752 516 2HH2 ARG 68 2HH2 ARG 68 18.508 4.642 -15.771 517 H VAL 69 H VAL 69 11.225 6.231 -11.959 518 HA VAL 69 HA VAL 69 10.872 5.194 -9.222 519 HB VAL 69 HB VAL 69 8.771 6.592 -10.877 520 1HG1 VAL 69 1HG1 VAL 69 7.644 5.307 -9.312 521 2HG1 VAL 69 2HG1 VAL 69 8.892 5.526 -8.083 522 3HG1 VAL 69 3HG1 VAL 69 7.808 6.858 -8.489 523 1HG2 VAL 69 1HG2 VAL 69 10.938 7.664 -9.226 524 2HG2 VAL 69 2HG2 VAL 69 9.950 8.455 -10.454 525 3HG2 VAL 69 3HG2 VAL 69 9.339 8.279 -8.809 526 H GLU 70 H GLU 70 9.927 3.257 -8.957 527 HA GLU 70 HA GLU 70 8.276 2.090 -11.023 528 1HB GLU 70 2HB GLU 70 11.051 1.510 -10.954 529 2HB GLU 70 3HB GLU 70 10.210 0.083 -10.365 530 1HG GLU 70 2HG GLU 70 9.644 -0.481 -12.423 531 2HG GLU 70 3HG GLU 70 8.855 1.076 -12.670 532 H LEU 71 H LEU 71 7.335 0.012 -10.339 533 HA LEU 71 HA LEU 71 7.115 -0.113 -7.406 534 1HB LEU 71 2HB LEU 71 4.888 -0.670 -7.591 535 2HB LEU 71 3HB LEU 71 5.100 0.482 -8.909 536 HG LEU 71 HG LEU 71 5.090 -2.515 -9.252 537 1HD1 LEU 71 1HD1 LEU 71 2.863 -1.045 -10.386 538 2HD1 LEU 71 2HD1 LEU 71 2.923 -0.922 -8.628 539 3HD1 LEU 71 3HD1 LEU 71 2.870 -2.507 -9.399 540 1HD2 LEU 71 1HD2 LEU 71 5.527 -0.205 -11.036 541 2HD2 LEU 71 2HD2 LEU 71 4.475 -1.479 -11.653 542 3HD2 LEU 71 3HD2 LEU 71 6.123 -1.861 -11.151 543 H SER 72 H SER 72 7.663 -1.934 -6.383 544 HA SER 72 HA SER 72 8.871 -4.075 -7.847 545 1HB SER 72 2HB SER 72 8.798 -3.163 -5.114 546 2HB SER 72 3HB SER 72 8.484 -4.897 -5.176 547 HG SER 72 HG SER 72 10.693 -4.581 -5.085 548 H THR 73 H THR 73 5.925 -3.736 -5.901 549 HA THR 73 HA THR 73 5.015 -6.338 -6.937 550 HB THR 73 HB THR 73 3.524 -5.071 -4.713 551 HG1 THR 73 HG1 THR 73 5.971 -6.395 -4.157 552 1HG2 THR 73 1HG2 THR 73 4.444 -7.798 -4.372 553 2HG2 THR 73 2HG2 THR 73 3.645 -7.570 -5.928 554 3HG2 THR 73 3HG2 THR 73 2.800 -7.166 -4.434 555 H GLY 74 H GLY 74 2.543 -6.460 -7.107 556 1HA GLY 74 2HA GLY 74 0.487 -5.429 -7.675 557 2HA GLY 74 3HA GLY 74 1.351 -3.929 -7.977 558 H MET 75 H MET 75 2.553 -6.918 -9.272 559 HA MET 75 HA MET 75 1.625 -6.088 -11.944 560 1HB MET 75 2HB MET 75 4.288 -6.556 -10.960 561 2HB MET 75 3HB MET 75 3.917 -7.705 -12.239 562 1HG MET 75 2HG MET 75 4.987 -5.692 -13.102 563 2HG MET 75 3HG MET 75 3.360 -5.900 -13.746 564 1HE MET 75 1HE MET 75 1.649 -3.043 -13.422 565 2HE MET 75 2HE MET 75 3.185 -2.568 -14.147 566 3HE MET 75 3HE MET 75 2.524 -4.175 -14.455 567 HA PRO 76 HA PRO 76 -0.200 -10.228 -11.217 568 1HB PRO 76 2HB PRO 76 -2.398 -9.752 -12.737 569 2HB PRO 76 3HB PRO 76 -2.276 -9.259 -11.044 570 1HG PRO 76 2HG PRO 76 -1.868 -7.633 -13.524 571 2HG PRO 76 3HG PRO 76 -2.726 -7.203 -12.033 572 1HD PRO 76 2HD PRO 76 -0.209 -6.357 -12.561 573 2HD PRO 76 3HD PRO 76 -0.779 -6.687 -10.913 574 H ARG 77 H ARG 77 0.707 -11.791 -12.391 575 HA ARG 77 HA ARG 77 0.389 -11.753 -15.294 576 1HB ARG 77 2HB ARG 77 2.774 -10.978 -14.212 577 2HB ARG 77 3HB ARG 77 3.033 -12.705 -14.424 578 1HG ARG 77 2HG ARG 77 2.985 -12.577 -16.694 579 2HG ARG 77 3HG ARG 77 1.886 -11.197 -16.703 580 1HD ARG 77 2HD ARG 77 4.217 -10.283 -15.464 581 2HD ARG 77 3HD ARG 77 4.765 -11.255 -16.829 582 HE ARG 77 HE ARG 77 2.733 -9.580 -17.740 583 1HH1 ARG 77 1HH1 ARG 77 5.963 -9.334 -16.464 584 2HH1 ARG 77 2HH1 ARG 77 6.330 -7.872 -17.320 585 1HH2 ARG 77 1HH2 ARG 77 3.204 -7.657 -18.872 586 2HH2 ARG 77 2HH2 ARG 77 4.759 -6.919 -18.688 587 H ARG 78 H ARG 78 1.354 -13.947 -16.172 588 HA ARG 78 HA ARG 78 0.044 -16.033 -14.615 589 1HB ARG 78 2HB ARG 78 0.267 -17.391 -16.662 590 2HB ARG 78 3HB ARG 78 -0.550 -15.864 -16.966 591 1HG ARG 78 2HG ARG 78 0.853 -15.764 -18.713 592 2HG ARG 78 3HG ARG 78 1.992 -15.159 -17.509 593 1HD ARG 78 2HD ARG 78 3.203 -16.827 -18.571 594 2HD ARG 78 3HD ARG 78 2.571 -17.649 -17.144 595 HE ARG 78 HE ARG 78 0.695 -18.182 -18.993 596 1HH1 ARG 78 1HH1 ARG 78 4.165 -18.455 -19.028 597 2HH1 ARG 78 2HH1 ARG 78 4.179 -19.792 -20.130 598 1HH2 ARG 78 1HH2 ARG 78 0.700 -19.941 -20.444 599 2HH2 ARG 78 2HH2 ARG 78 2.207 -20.636 -20.936 600 H SER 79 H SER 79 3.203 -15.304 -16.032 601 HA SER 79 HA SER 79 4.370 -17.359 -14.275 602 1HB SER 79 2HB SER 79 4.918 -16.810 -17.178 603 2HB SER 79 3HB SER 79 6.165 -17.520 -16.153 604 HG SER 79 HG SER 79 4.489 -19.116 -15.593 605 H ARG 80 H ARG 80 6.968 -16.943 -14.472 606 HA ARG 80 HA ARG 80 8.697 -15.636 -13.784 607 1HB ARG 80 2HB ARG 80 7.145 -13.294 -14.887 608 2HB ARG 80 3HB ARG 80 8.884 -13.413 -14.655 609 1HG ARG 80 2HG ARG 80 8.562 -15.466 -16.317 610 2HG ARG 80 3HG ARG 80 7.177 -14.493 -16.814 611 1HD ARG 80 2HD ARG 80 9.757 -13.082 -16.481 612 2HD ARG 80 3HD ARG 80 9.625 -14.187 -17.849 613 HE ARG 80 HE ARG 80 8.287 -11.658 -17.521 614 1HH1 ARG 80 1HH1 ARG 80 8.257 -14.743 -19.133 615 2HH1 ARG 80 2HH1 ARG 80 7.308 -14.183 -20.469 616 1HH2 ARG 80 1HH2 ARG 80 7.036 -10.908 -19.274 617 2HH2 ARG 80 2HH2 ARG 80 6.614 -12.001 -20.549 618 H PHE 81 H PHE 81 6.037 -15.897 -12.246 619 HA PHE 81 HA PHE 81 6.761 -13.952 -10.172 620 1HB PHE 81 2HB PHE 81 4.191 -14.173 -11.599 621 2HB PHE 81 3HB PHE 81 4.058 -14.089 -9.845 622 HD1 PHE 81 HD1 PHE 81 5.239 -12.331 -12.853 623 HD2 PHE 81 HD2 PHE 81 4.517 -12.078 -8.666 624 HE1 PHE 81 HE1 PHE 81 5.522 -9.889 -12.955 625 HE2 PHE 81 HE2 PHE 81 4.798 -9.636 -8.761 626 HZ PHE 81 HZ PHE 81 5.300 -8.538 -10.908 627 H ASP 82 H ASP 82 7.158 -14.961 -8.327 628 HA ASP 82 HA ASP 82 6.235 -17.696 -7.952 629 1HB ASP 82 2HB ASP 82 8.537 -16.202 -7.163 630 2HB ASP 82 3HB ASP 82 7.732 -16.787 -5.709 631 H ARG 83 H ARG 83 6.032 -14.552 -6.328 632 HA ARG 83 HA ARG 83 3.980 -15.651 -4.536 633 1HB ARG 83 2HB ARG 83 6.029 -13.559 -4.280 634 2HB ARG 83 3HB ARG 83 4.456 -13.112 -3.634 635 1HG ARG 83 2HG ARG 83 5.564 -14.037 -1.816 636 2HG ARG 83 3HG ARG 83 4.543 -15.354 -2.397 637 1HD ARG 83 2HD ARG 83 6.455 -16.289 -3.612 638 2HD ARG 83 3HD ARG 83 7.470 -14.976 -3.017 639 HE ARG 83 HE ARG 83 6.258 -16.341 -0.857 640 1HH1 ARG 83 1HH1 ARG 83 8.764 -16.679 -3.250 641 2HH1 ARG 83 2HH1 ARG 83 9.728 -17.743 -2.280 642 1HH2 ARG 83 1HH2 ARG 83 7.518 -17.741 0.430 643 2HH2 ARG 83 2HH2 ARG 83 9.017 -18.347 -0.187 644 HA PRO 84 HA PRO 84 0.701 -13.414 -6.401 645 1HB PRO 84 2HB PRO 84 -0.730 -12.562 -4.257 646 2HB PRO 84 3HB PRO 84 -0.679 -14.254 -4.768 647 1HG PRO 84 2HG PRO 84 0.851 -12.887 -2.588 648 2HG PRO 84 3HG PRO 84 0.055 -14.471 -2.572 649 1HD PRO 84 2HD PRO 84 2.725 -14.186 -2.922 650 2HD PRO 84 3HD PRO 84 1.798 -15.498 -3.677 651 HA PRO 85 HA PRO 85 1.919 -9.165 -6.610 652 1HB PRO 85 2HB PRO 85 -0.181 -8.242 -8.061 653 2HB PRO 85 3HB PRO 85 1.122 -9.208 -8.764 654 1HG PRO 85 2HG PRO 85 -1.606 -10.066 -7.877 655 2HG PRO 85 3HG PRO 85 -0.711 -10.519 -9.339 656 1HD PRO 85 2HD PRO 85 -0.859 -12.127 -7.166 657 2HD PRO 85 3HD PRO 85 0.563 -12.084 -8.226 658 H ALA 86 H ALA 86 1.320 -7.105 -5.820 659 HA ALA 86 HA ALA 86 -0.465 -7.205 -3.550 660 1HB ALA 86 1HB ALA 86 1.401 -6.000 -2.991 661 2HB ALA 86 2HB ALA 86 1.541 -5.265 -4.588 662 3HB ALA 86 3HB ALA 86 0.310 -4.697 -3.461 663 H ARG 87 H ARG 87 -2.115 -7.639 -5.532 664 HA ARG 87 HA ARG 87 -3.300 -5.060 -6.294 665 1HB ARG 87 2HB ARG 87 -3.888 -7.811 -7.401 666 2HB ARG 87 3HB ARG 87 -4.516 -6.286 -8.010 667 1HG ARG 87 2HG ARG 87 -1.572 -6.835 -7.907 668 2HG ARG 87 3HG ARG 87 -2.572 -7.369 -9.260 669 1HD ARG 87 2HD ARG 87 -2.963 -4.569 -8.477 670 2HD ARG 87 3HD ARG 87 -1.349 -4.942 -9.082 671 HE ARG 87 HE ARG 87 -3.492 -5.945 -10.726 672 1HH1 ARG 87 1HH1 ARG 87 -1.391 -3.251 -10.057 673 2HH1 ARG 87 2HH1 ARG 87 -1.539 -2.573 -11.645 674 1HH2 ARG 87 1HH2 ARG 87 -3.695 -5.063 -12.820 675 2HH2 ARG 87 2HH2 ARG 87 -2.851 -3.604 -13.215 676 H ARG 88 H ARG 88 -3.796 -7.921 -4.417 677 HA ARG 88 HA ARG 88 -5.442 -8.581 -2.992 678 1HB ARG 88 2HB ARG 88 -5.841 -5.608 -3.075 679 2HB ARG 88 3HB ARG 88 -6.943 -6.626 -2.157 680 1HG ARG 88 2HG ARG 88 -4.074 -7.079 -1.672 681 2HG ARG 88 3HG ARG 88 -4.717 -5.525 -1.138 682 1HD ARG 88 2HD ARG 88 -6.203 -8.028 -0.483 683 2HD ARG 88 3HD ARG 88 -4.765 -7.611 0.448 684 HE ARG 88 HE ARG 88 -6.334 -5.341 0.395 685 1HH1 ARG 88 1HH1 ARG 88 -6.627 -8.619 1.532 686 2HH1 ARG 88 2HH1 ARG 88 -7.705 -8.211 2.826 687 1HH2 ARG 88 1HH2 ARG 88 -7.753 -4.792 2.095 688 2HH2 ARG 88 2HH2 ARG 88 -8.346 -6.035 3.145 689 H LYS 89 H LYS 89 -6.619 -9.929 -4.301 690 HA LYS 89 HA LYS 89 -8.595 -8.905 -6.130 691 1HB LYS 89 2HB LYS 89 -7.173 -11.147 -6.183 692 2HB LYS 89 3HB LYS 89 -8.559 -11.768 -5.296 693 1HG LYS 89 2HG LYS 89 -10.030 -11.012 -7.123 694 2HG LYS 89 3HG LYS 89 -8.604 -10.484 -8.020 695 1HD LYS 89 2HD LYS 89 -7.796 -12.929 -7.655 696 2HD LYS 89 3HD LYS 89 -9.503 -13.259 -7.348 697 1HE LYS 89 2HE LYS 89 -10.105 -12.879 -9.510 698 2HE LYS 89 3HE LYS 89 -8.840 -11.677 -9.765 699 1HZ LYS 89 1HZ LYS 89 -7.842 -14.340 -9.317 700 2HZ LYS 89 2HZ LYS 89 -7.432 -13.219 -10.515 701 3HZ LYS 89 3HZ LYS 89 -8.793 -14.204 -10.709 702 H LEU 90 H LEU 90 -10.875 -9.628 -6.031 703 HA LEU 90 HA LEU 90 -11.947 -10.325 -3.444 704 1HB LEU 90 2HB LEU 90 -11.561 -7.661 -3.900 705 2HB LEU 90 3HB LEU 90 -13.218 -7.886 -4.456 706 HG LEU 90 HG LEU 90 -13.289 -9.142 -2.043 707 1HD1 LEU 90 1HD1 LEU 90 -12.214 -7.188 -0.612 708 2HD1 LEU 90 2HD1 LEU 90 -11.113 -7.128 -1.988 709 3HD1 LEU 90 3HD1 LEU 90 -11.299 -8.624 -1.073 710 1HD2 LEU 90 1HD2 LEU 90 -14.773 -7.510 -1.485 711 2HD2 LEU 90 2HD2 LEU 90 -14.637 -7.179 -3.212 712 3HD2 LEU 90 3HD2 LEU 90 -13.728 -6.207 -2.053 713 H LEU 91 H LEU 91 -11.929 -11.273 -6.261 714 HA LEU 91 HA LEU 91 -13.391 -12.478 -7.540 715 1HB LEU 91 2HB LEU 91 -14.723 -12.283 -5.169 716 2HB LEU 91 3HB LEU 91 -15.856 -11.515 -6.278 717 HG LEU 91 HG LEU 91 -16.339 -13.899 -5.934 718 1HD1 LEU 91 1HD1 LEU 91 -16.884 -14.324 -8.128 719 2HD1 LEU 91 2HD1 LEU 91 -15.372 -13.659 -8.747 720 3HD1 LEU 91 3HD1 LEU 91 -16.636 -12.578 -8.161 721 1HD2 LEU 91 1HD2 LEU 91 -14.134 -14.882 -7.558 722 2HD2 LEU 91 2HD2 LEU 91 -14.802 -15.513 -6.052 723 3HD2 LEU 91 3HD2 LEU 91 -13.604 -14.218 -6.012 724 H GLU 92 H GLU 92 -13.297 -9.202 -7.175 725 HA GLU 92 HA GLU 92 -15.268 -8.636 -9.261 726 1HB GLU 92 2HB GLU 92 -14.876 -7.266 -7.049 727 2HB GLU 92 3HB GLU 92 -13.582 -6.524 -7.980 728 1HG GLU 92 2HG GLU 92 -15.208 -5.885 -9.703 729 2HG GLU 92 3HG GLU 92 -16.497 -6.588 -8.727 730 H VAL 93 H VAL 93 -11.823 -8.677 -8.672 731 HA VAL 93 HA VAL 93 -11.278 -7.561 -11.321 732 HB VAL 93 HB VAL 93 -9.265 -8.392 -9.232 733 1HG1 VAL 93 1HG1 VAL 93 -9.145 -7.070 -11.875 734 2HG1 VAL 93 2HG1 VAL 93 -8.087 -6.429 -10.616 735 3HG1 VAL 93 3HG1 VAL 93 -7.979 -8.128 -11.080 736 1HG2 VAL 93 1HG2 VAL 93 -9.311 -5.655 -9.205 737 2HG2 VAL 93 2HG2 VAL 93 -11.021 -6.058 -9.355 738 3HG2 VAL 93 3HG2 VAL 93 -10.079 -6.700 -8.010 739 H LEU 94 H LEU 94 -9.989 -8.655 -12.855 740 HA LEU 94 HA LEU 94 -9.099 -11.331 -12.486 741 1HB LEU 94 2HB LEU 94 -11.570 -11.644 -12.643 742 2HB LEU 94 3HB LEU 94 -11.501 -10.972 -14.270 743 HG LEU 94 HG LEU 94 -9.707 -13.250 -13.825 744 1HD1 LEU 94 1HD1 LEU 94 -12.691 -13.671 -13.783 745 2HD1 LEU 94 2HD1 LEU 94 -11.603 -13.925 -12.420 746 3HD1 LEU 94 3HD1 LEU 94 -11.455 -14.926 -13.863 747 1HD2 LEU 94 1HD2 LEU 94 -11.018 -13.923 -15.963 748 2HD2 LEU 94 2HD2 LEU 94 -9.876 -12.580 -16.031 749 3HD2 LEU 94 3HD2 LEU 94 -11.607 -12.262 -15.911 750 H PHE 95 H PHE 95 -7.988 -12.161 -14.322 751 HA PHE 95 HA PHE 95 -7.552 -10.195 -16.470 752 1HB PHE 95 2HB PHE 95 -5.173 -10.822 -16.495 753 2HB PHE 95 3HB PHE 95 -5.646 -10.155 -14.936 754 HD1 PHE 95 HD1 PHE 95 -5.998 -11.687 -13.005 755 HD2 PHE 95 HD2 PHE 95 -4.328 -13.013 -16.689 756 HE1 PHE 95 HE1 PHE 95 -5.113 -13.689 -11.880 757 HE2 PHE 95 HE2 PHE 95 -3.442 -15.017 -15.571 758 HZ PHE 95 HZ PHE 95 -3.835 -15.358 -13.163 759 H ASN 96 H ASN 96 -7.950 -10.971 -18.428 760 HA ASN 96 HA ASN 96 -7.531 -13.830 -18.945 761 1HB ASN 96 2HB ASN 96 -9.645 -13.817 -20.314 762 2HB ASN 96 3HB ASN 96 -9.893 -13.674 -18.576 763 1HD2 ASN 96 1HD2 ASN 96 -10.334 -11.562 -17.712 764 2HD2 ASN 96 2HD2 ASN 96 -11.128 -10.384 -18.695 765 H GLY 97 H GLY 97 -5.973 -11.443 -19.600 766 1HA GLY 97 2HA GLY 97 -4.677 -10.810 -21.399 767 2HA GLY 97 3HA GLY 97 -5.502 -12.028 -22.360 768 HA PRO 98 HA PRO 98 -8.281 -8.075 -22.573 769 1HB PRO 98 2HB PRO 98 -7.253 -5.804 -21.497 770 2HB PRO 98 3HB PRO 98 -8.247 -6.938 -20.576 771 1HG PRO 98 2HG PRO 98 -5.268 -6.650 -20.641 772 2HG PRO 98 3HG PRO 98 -6.338 -6.902 -19.249 773 1HD PRO 98 2HD PRO 98 -4.921 -8.913 -20.380 774 2HD PRO 98 3HD PRO 98 -6.511 -9.168 -19.633 775 H LEU 99 H LEU 99 -4.781 -7.630 -22.692 776 HA LEU 99 HA LEU 99 -4.859 -5.704 -24.810 777 1HB LEU 99 2HB LEU 99 -2.753 -7.219 -23.363 778 2HB LEU 99 3HB LEU 99 -2.347 -6.540 -24.937 779 HG LEU 99 HG LEU 99 -3.138 -4.307 -24.003 780 1HD1 LEU 99 1HD1 LEU 99 -3.211 -6.009 -21.552 781 2HD1 LEU 99 2HD1 LEU 99 -4.335 -4.761 -22.088 782 3HD1 LEU 99 3HD1 LEU 99 -2.764 -4.307 -21.428 783 1HD2 LEU 99 1HD2 LEU 99 -0.683 -5.590 -23.962 784 2HD2 LEU 99 2HD2 LEU 99 -0.850 -4.926 -22.337 785 3HD2 LEU 99 3HD2 LEU 99 -0.972 -3.864 -23.741 786 H GLU 100 H GLU 100 -4.390 -5.988 -26.982 787 HA GLU 100 HA GLU 100 -4.985 -8.640 -28.014 788 1HB GLU 100 2HB GLU 100 -5.117 -7.505 -30.205 789 2HB GLU 100 3HB GLU 100 -6.169 -6.772 -29.002 790 1HG GLU 100 2HG GLU 100 -4.876 -4.868 -28.835 791 2HG GLU 100 3HG GLU 100 -3.435 -5.668 -29.461 792 H HIS 101 H HIS 101 -2.283 -7.391 -26.902 793 HA HIS 101 HA HIS 101 -0.067 -7.817 -27.193 794 1HB HIS 101 2HB HIS 101 -1.428 -10.067 -28.316 795 2HB HIS 101 3HB HIS 101 -0.027 -9.703 -29.319 796 HD1 HIS 101 HD1 HIS 101 -0.628 -12.071 -27.058 797 HD2 HIS 101 HD2 HIS 101 2.100 -8.939 -26.948 798 HE1 HIS 101 HE1 HIS 101 1.156 -12.790 -25.439 Start of MODEL 19 1 1H MET 1 H MET 1 1.253 -0.343 -2.116 2 HA MET 1 HA MET 1 2.700 -2.011 -3.088 3 1HB MET 1 2HB MET 1 3.624 -1.750 -5.259 4 2HB MET 1 3HB MET 1 1.921 -1.334 -5.397 5 1HG MET 1 2HG MET 1 2.467 1.026 -5.366 6 2HG MET 1 3HG MET 1 4.174 0.644 -5.149 7 1HE MET 1 1HE MET 1 1.191 0.794 -7.859 8 2HE MET 1 2HE MET 1 1.781 -0.492 -8.911 9 3HE MET 1 3HE MET 1 1.338 -0.852 -7.242 10 H LYS 2 H LYS 2 5.189 -1.402 -4.028 11 HA LYS 2 HA LYS 2 6.182 0.473 -1.987 12 1HB LYS 2 2HB LYS 2 7.726 -1.769 -3.293 13 2HB LYS 2 3HB LYS 2 8.208 -0.815 -1.897 14 1HG LYS 2 2HG LYS 2 6.423 -1.795 -0.579 15 2HG LYS 2 3HG LYS 2 5.869 -2.711 -1.983 16 1HD LYS 2 2HD LYS 2 8.582 -3.306 -1.763 17 2HD LYS 2 3HD LYS 2 7.982 -3.311 -0.103 18 1HE LYS 2 2HE LYS 2 6.440 -4.719 -2.238 19 2HE LYS 2 3HE LYS 2 7.875 -5.482 -1.557 20 1HZ LYS 2 1HZ LYS 2 5.331 -5.500 -0.504 21 2HZ LYS 2 2HZ LYS 2 6.208 -4.455 0.496 22 3HZ LYS 2 3HZ LYS 2 6.746 -6.040 0.250 23 H VAL 3 H VAL 3 7.741 1.988 -2.517 24 HA VAL 3 HA VAL 3 8.246 2.333 -5.402 25 HB VAL 3 HB VAL 3 8.560 4.793 -3.947 26 1HG1 VAL 3 1HG1 VAL 3 6.655 5.400 -5.605 27 2HG1 VAL 3 2HG1 VAL 3 8.250 4.977 -6.232 28 3HG1 VAL 3 3HG1 VAL 3 6.947 3.787 -6.255 29 1HG2 VAL 3 1HG2 VAL 3 5.877 3.442 -3.677 30 2HG2 VAL 3 2HG2 VAL 3 6.959 3.912 -2.365 31 3HG2 VAL 3 3HG2 VAL 3 6.185 5.149 -3.356 32 H TYR 4 H TYR 4 10.282 3.038 -6.048 33 HA TYR 4 HA TYR 4 12.353 3.120 -3.959 34 1HB TYR 4 2HB TYR 4 12.221 1.422 -6.413 35 2HB TYR 4 3HB TYR 4 13.793 2.011 -5.884 36 HD1 TYR 4 HD1 TYR 4 10.958 -0.163 -5.051 37 HD2 TYR 4 HD2 TYR 4 14.803 1.199 -3.840 38 HE1 TYR 4 HE1 TYR 4 11.088 -1.999 -3.419 39 HE2 TYR 4 HE2 TYR 4 14.944 -0.634 -2.206 40 HH TYR 4 HH TYR 4 13.297 -3.274 -2.257 41 H VAL 5 H VAL 5 13.080 5.145 -3.978 42 HA VAL 5 HA VAL 5 13.451 6.495 -6.566 43 HB VAL 5 HB VAL 5 13.618 8.589 -5.156 44 1HG1 VAL 5 1HG1 VAL 5 11.273 7.003 -5.819 45 2HG1 VAL 5 2HG1 VAL 5 10.977 8.145 -4.506 46 3HG1 VAL 5 3HG1 VAL 5 11.582 8.723 -6.060 47 1HG2 VAL 5 1HG2 VAL 5 12.087 7.511 -2.960 48 2HG2 VAL 5 2HG2 VAL 5 13.675 6.751 -3.062 49 3HG2 VAL 5 3HG2 VAL 5 13.544 8.505 -2.933 50 H GLY 6 H GLY 6 15.473 6.063 -7.251 51 1HA GLY 6 2HA GLY 6 17.673 6.369 -5.307 52 2HA GLY 6 3HA GLY 6 17.754 5.382 -6.759 53 H ASN 7 H ASN 7 19.817 6.855 -6.676 54 HA ASN 7 HA ASN 7 21.041 8.429 -7.771 55 1HB ASN 7 2HB ASN 7 18.494 8.766 -9.371 56 2HB ASN 7 3HB ASN 7 20.046 9.483 -9.794 57 1HD2 ASN 7 1HD2 ASN 7 18.383 6.428 -9.269 58 2HD2 ASN 7 2HD2 ASN 7 19.386 5.492 -10.319 59 H LEU 8 H LEU 8 20.834 9.502 -5.619 60 HA LEU 8 HA LEU 8 19.382 12.055 -5.862 61 1HB LEU 8 2HB LEU 8 20.162 10.652 -3.313 62 2HB LEU 8 3HB LEU 8 19.192 12.116 -3.462 63 HG LEU 8 HG LEU 8 18.257 9.529 -4.654 64 1HD1 LEU 8 1HD1 LEU 8 16.917 9.821 -2.250 65 2HD1 LEU 8 2HD1 LEU 8 18.606 10.116 -1.841 66 3HD1 LEU 8 3HD1 LEU 8 18.141 8.611 -2.632 67 1HD2 LEU 8 1HD2 LEU 8 16.594 11.698 -3.438 68 2HD2 LEU 8 2HD2 LEU 8 16.167 10.527 -4.686 69 3HD2 LEU 8 3HD2 LEU 8 17.241 11.874 -5.069 70 H GLY 9 H GLY 9 21.294 12.840 -7.000 71 1HA GLY 9 2HA GLY 9 23.266 13.855 -5.084 72 2HA GLY 9 3HA GLY 9 23.857 12.981 -6.489 73 H THR 10 H THR 10 21.187 15.302 -6.218 74 HA THR 10 HA THR 10 22.704 17.302 -7.683 75 HB THR 10 HB THR 10 21.060 17.549 -9.466 76 HG1 THR 10 HG1 THR 10 19.336 16.133 -9.645 77 1HG2 THR 10 1HG2 THR 10 22.048 14.703 -9.232 78 2HG2 THR 10 2HG2 THR 10 22.968 16.068 -9.865 79 3HG2 THR 10 3HG2 THR 10 21.535 15.497 -10.720 80 H GLY 11 H GLY 11 21.514 17.119 -5.035 81 1HA GLY 11 2HA GLY 11 20.596 18.773 -3.674 82 2HA GLY 11 3HA GLY 11 20.038 19.613 -5.113 83 H ALA 12 H ALA 12 19.302 16.263 -4.866 84 HA ALA 12 HA ALA 12 16.580 16.894 -3.935 85 1HB ALA 12 1HB ALA 12 16.316 16.684 -6.265 86 2HB ALA 12 2HB ALA 12 17.382 15.280 -6.341 87 3HB ALA 12 3HB ALA 12 15.792 15.141 -5.591 88 H GLY 13 H GLY 13 16.524 15.950 -1.980 89 1HA GLY 13 2HA GLY 13 17.316 13.106 -1.838 90 2HA GLY 13 3HA GLY 13 17.662 14.235 -0.536 91 H LYS 14 H LYS 14 16.420 13.706 1.134 92 HA LYS 14 HA LYS 14 13.941 12.379 0.944 93 1HB LYS 14 2HB LYS 14 13.710 12.960 3.362 94 2HB LYS 14 3HB LYS 14 15.239 12.190 2.957 95 1HG LYS 14 2HG LYS 14 16.126 13.848 4.168 96 2HG LYS 14 3HG LYS 14 15.902 14.802 2.700 97 1HD LYS 14 2HD LYS 14 14.508 16.154 3.781 98 2HD LYS 14 3HD LYS 14 13.450 14.789 4.147 99 1HE LYS 14 2HE LYS 14 14.289 14.528 6.248 100 2HE LYS 14 3HE LYS 14 15.895 15.095 5.795 101 1HZ LYS 14 1HZ LYS 14 15.332 17.257 6.135 102 2HZ LYS 14 2HZ LYS 14 14.299 16.543 7.267 103 3HZ LYS 14 3HZ LYS 14 13.698 17.028 5.762 104 H GLY 15 H GLY 15 14.761 15.791 1.486 105 1HA GLY 15 2HA GLY 15 12.116 16.709 1.838 106 2HA GLY 15 3HA GLY 15 13.488 17.697 1.357 107 H GLU 16 H GLU 16 14.168 16.577 -1.063 108 HA GLU 16 HA GLU 16 12.360 17.811 -2.812 109 1HB GLU 16 2HB GLU 16 14.765 17.394 -3.297 110 2HB GLU 16 3HB GLU 16 14.399 15.686 -3.490 111 1HG GLU 16 2HG GLU 16 12.882 17.652 -5.119 112 2HG GLU 16 3HG GLU 16 14.553 17.301 -5.554 113 H LEU 17 H LEU 17 13.019 14.328 -2.403 114 HA LEU 17 HA LEU 17 10.959 13.422 -4.064 115 1HB LEU 17 2HB LEU 17 11.448 11.303 -3.309 116 2HB LEU 17 3HB LEU 17 12.954 12.165 -2.999 117 HG LEU 17 HG LEU 17 11.877 12.480 -0.608 118 1HD1 LEU 17 1HD1 LEU 17 9.886 11.461 -0.483 119 2HD1 LEU 17 2HD1 LEU 17 10.835 9.983 -0.335 120 3HD1 LEU 17 3HD1 LEU 17 10.194 10.464 -1.906 121 1HD2 LEU 17 1HD2 LEU 17 12.937 10.238 0.001 122 2HD2 LEU 17 2HD2 LEU 17 13.961 11.428 -0.803 123 3HD2 LEU 17 3HD2 LEU 17 13.292 10.077 -1.719 124 H GLU 18 H GLU 18 10.969 14.355 -0.685 125 HA GLU 18 HA GLU 18 8.489 13.271 0.063 126 1HB GLU 18 2HB GLU 18 10.011 14.057 1.749 127 2HB GLU 18 3HB GLU 18 9.989 15.684 1.084 128 1HG GLU 18 2HG GLU 18 7.795 16.074 1.832 129 2HG GLU 18 3HG GLU 18 7.522 14.365 2.167 130 H ARG 19 H ARG 19 9.308 16.549 -1.064 131 HA ARG 19 HA ARG 19 6.678 17.539 -1.064 132 1HB ARG 19 2HB ARG 19 8.573 19.042 -1.145 133 2HB ARG 19 3HB ARG 19 9.087 18.370 -2.687 134 1HG ARG 19 2HG ARG 19 7.674 19.651 -3.849 135 2HG ARG 19 3HG ARG 19 6.354 19.399 -2.704 136 1HD ARG 19 2HD ARG 19 7.025 21.748 -2.792 137 2HD ARG 19 3HD ARG 19 7.326 21.051 -1.201 138 HE ARG 19 HE ARG 19 9.667 20.797 -2.685 139 1HH1 ARG 19 1HH1 ARG 19 7.664 23.324 -1.374 140 2HH1 ARG 19 2HH1 ARG 19 8.974 24.440 -1.177 141 1HH2 ARG 19 1HH2 ARG 19 11.401 22.257 -2.430 142 2HH2 ARG 19 2HH2 ARG 19 11.100 23.832 -1.778 143 H ALA 20 H ALA 20 8.608 16.000 -3.604 144 HA ALA 20 HA ALA 20 6.751 16.314 -5.695 145 1HB ALA 20 1HB ALA 20 8.254 13.887 -5.992 146 2HB ALA 20 2HB ALA 20 8.393 15.404 -6.880 147 3HB ALA 20 3HB ALA 20 9.292 15.175 -5.380 148 H PHE 21 H PHE 21 7.510 13.306 -3.927 149 HA PHE 21 HA PHE 21 5.423 11.768 -4.838 150 1HB PHE 21 2HB PHE 21 7.080 11.763 -2.369 151 2HB PHE 21 3HB PHE 21 5.621 10.778 -2.356 152 HD1 PHE 21 HD1 PHE 21 8.464 11.494 -4.670 153 HD2 PHE 21 HD2 PHE 21 5.878 8.585 -2.948 154 HE1 PHE 21 HE1 PHE 21 9.659 9.718 -5.884 155 HE2 PHE 21 HE2 PHE 21 7.069 6.804 -4.158 156 HZ PHE 21 HZ PHE 21 8.963 7.370 -5.628 157 H SER 22 H SER 22 5.445 13.759 -1.884 158 HA SER 22 HA SER 22 2.837 13.262 -1.063 159 1HB SER 22 2HB SER 22 4.478 15.785 -0.736 160 2HB SER 22 3HB SER 22 3.002 15.422 0.157 161 HG SER 22 HG SER 22 4.051 14.006 1.345 162 H TYR 23 H TYR 23 4.072 15.708 -3.302 163 HA TYR 23 HA TYR 23 1.723 17.153 -3.695 164 1HB TYR 23 2HB TYR 23 4.265 16.794 -5.130 165 2HB TYR 23 3HB TYR 23 2.914 17.264 -6.156 166 HD1 TYR 23 HD1 TYR 23 3.659 18.235 -2.636 167 HD2 TYR 23 HD2 TYR 23 3.311 19.498 -6.685 168 HE1 TYR 23 HE1 TYR 23 3.939 20.573 -1.925 169 HE2 TYR 23 HE2 TYR 23 3.591 21.839 -5.985 170 HH TYR 23 HH TYR 23 3.516 23.235 -4.157 171 H TYR 24 H TYR 24 2.935 14.289 -5.403 172 HA TYR 24 HA TYR 24 0.689 14.139 -7.167 173 1HB TYR 24 2HB TYR 24 2.971 12.292 -6.516 174 2HB TYR 24 3HB TYR 24 1.649 11.767 -7.551 175 HD1 TYR 24 HD1 TYR 24 3.832 14.793 -7.229 176 HD2 TYR 24 HD2 TYR 24 2.071 11.902 -9.807 177 HE1 TYR 24 HE1 TYR 24 4.931 15.852 -9.157 178 HE2 TYR 24 HE2 TYR 24 3.167 12.952 -11.742 179 HH TYR 24 HH TYR 24 5.670 15.136 -11.477 180 H GLY 25 H GLY 25 1.463 12.874 -4.014 181 1HA GLY 25 2HA GLY 25 -1.101 12.349 -3.204 182 2HA GLY 25 3HA GLY 25 -0.583 10.865 -3.989 183 HA PRO 26 HA PRO 26 1.169 11.500 0.469 184 1HB PRO 26 2HB PRO 26 -0.875 10.609 2.018 185 2HB PRO 26 3HB PRO 26 -0.657 12.313 1.602 186 1HG PRO 26 2HG PRO 26 -2.485 10.282 0.378 187 2HG PRO 26 3HG PRO 26 -2.814 11.972 0.803 188 1HD PRO 26 2HD PRO 26 -2.275 11.186 -1.732 189 2HD PRO 26 3HD PRO 26 -1.807 12.780 -1.106 190 H LEU 27 H LEU 27 2.505 9.821 0.661 191 HA LEU 27 HA LEU 27 1.609 7.134 0.018 192 1HB LEU 27 2HB LEU 27 4.045 6.594 0.527 193 2HB LEU 27 3HB LEU 27 3.707 7.600 -0.880 194 HG LEU 27 HG LEU 27 5.687 8.208 0.666 195 1HD1 LEU 27 1HD1 LEU 27 4.230 10.679 0.416 196 2HD1 LEU 27 2HD1 LEU 27 4.016 9.673 -1.016 197 3HD1 LEU 27 3HD1 LEU 27 5.639 10.108 -0.478 198 1HD2 LEU 27 1HD2 LEU 27 4.315 8.049 2.746 199 2HD2 LEU 27 2HD2 LEU 27 3.449 9.493 2.222 200 3HD2 LEU 27 3HD2 LEU 27 5.179 9.575 2.560 201 H ARG 28 H ARG 28 2.868 5.442 1.580 202 HA ARG 28 HA ARG 28 1.502 5.711 4.107 203 1HB ARG 28 2HB ARG 28 1.758 3.570 2.698 204 2HB ARG 28 3HB ARG 28 3.383 3.483 3.365 205 1HG ARG 28 2HG ARG 28 2.641 3.012 5.482 206 2HG ARG 28 3HG ARG 28 1.076 3.785 5.222 207 1HD ARG 28 2HD ARG 28 0.160 1.928 4.309 208 2HD ARG 28 3HD ARG 28 1.664 1.444 3.526 209 HE ARG 28 HE ARG 28 2.109 0.113 5.324 210 1HH1 ARG 28 1HH1 ARG 28 -0.252 2.495 6.257 211 2HH1 ARG 28 2HH1 ARG 28 -0.516 1.809 7.826 212 1HH2 ARG 28 1HH2 ARG 28 1.770 -0.799 7.387 213 2HH2 ARG 28 2HH2 ARG 28 0.636 -0.064 8.468 214 H THR 29 H THR 29 4.887 5.194 3.117 215 HA THR 29 HA THR 29 5.863 6.946 5.159 216 HB THR 29 HB THR 29 7.363 4.884 6.007 217 HG1 THR 29 HG1 THR 29 4.786 3.736 5.618 218 1HG2 THR 29 1HG2 THR 29 6.363 5.243 8.008 219 2HG2 THR 29 2HG2 THR 29 4.739 5.022 7.355 220 3HG2 THR 29 3HG2 THR 29 5.576 6.558 7.136 221 H VAL 30 H VAL 30 7.817 7.737 4.610 222 HA VAL 30 HA VAL 30 9.184 6.471 2.331 223 HB VAL 30 HB VAL 30 10.113 8.629 1.786 224 1HG1 VAL 30 1HG1 VAL 30 8.251 8.986 0.633 225 2HG1 VAL 30 2HG1 VAL 30 7.320 8.054 1.807 226 3HG1 VAL 30 3HG1 VAL 30 7.549 9.788 2.038 227 1HG2 VAL 30 1HG2 VAL 30 9.353 10.651 3.088 228 2HG2 VAL 30 2HG2 VAL 30 8.789 9.537 4.334 229 3HG2 VAL 30 3HG2 VAL 30 10.501 9.599 3.916 230 H TRP 31 H TRP 31 11.547 6.668 2.274 231 HA TRP 31 HA TRP 31 12.970 7.225 4.702 232 1HB TRP 31 2HB TRP 31 11.963 4.908 5.043 233 2HB TRP 31 3HB TRP 31 13.036 4.360 3.757 234 HD1 TRP 31 HD1 TRP 31 13.449 6.293 7.110 235 HE1 TRP 31 HE1 TRP 31 15.596 5.441 8.245 236 HE3 TRP 31 HE3 TRP 31 14.983 2.964 3.547 237 HZ2 TRP 31 HZ2 TRP 31 17.666 3.601 7.702 238 HZ3 TRP 31 HZ3 TRP 31 17.058 1.698 3.932 239 HH2 TRP 31 HH2 TRP 31 18.371 2.012 5.966 240 H ILE 32 H ILE 32 15.307 6.928 4.452 241 HA ILE 32 HA ILE 32 16.128 6.884 1.622 242 HB ILE 32 HB ILE 32 17.436 8.565 3.755 243 1HG1 ILE 32 2HG1 ILE 32 15.097 9.296 3.355 244 2HG1 ILE 32 3HG1 ILE 32 16.280 10.489 2.828 245 1HG2 ILE 32 1HG2 ILE 32 17.868 8.087 0.867 246 2HG2 ILE 32 2HG2 ILE 32 18.078 9.738 1.448 247 3HG2 ILE 32 3HG2 ILE 32 19.031 8.430 2.148 248 1HD1 ILE 32 1HD1 ILE 32 16.002 9.684 0.514 249 2HD1 ILE 32 2HD1 ILE 32 14.743 8.585 1.080 250 3HD1 ILE 32 3HD1 ILE 32 14.516 10.329 1.211 251 H ALA 33 H ALA 33 18.234 6.095 1.173 252 HA ALA 33 HA ALA 33 19.240 4.261 3.243 253 1HB ALA 33 1HB ALA 33 19.996 2.825 1.548 254 2HB ALA 33 2HB ALA 33 18.406 3.367 1.009 255 3HB ALA 33 3HB ALA 33 19.862 4.075 0.311 256 H ARG 34 H ARG 34 20.833 5.251 4.333 257 HA ARG 34 HA ARG 34 22.595 7.160 3.148 258 1HB ARG 34 2HB ARG 34 23.767 7.088 5.320 259 2HB ARG 34 3HB ARG 34 22.033 7.311 5.505 260 1HG ARG 34 2HG ARG 34 21.758 4.990 6.108 261 2HG ARG 34 3HG ARG 34 23.471 4.684 5.813 262 1HD ARG 34 2HD ARG 34 23.717 5.070 8.006 263 2HD ARG 34 3HD ARG 34 23.565 6.771 7.568 264 HE ARG 34 HE ARG 34 21.569 6.811 8.665 265 1HH1 ARG 34 1HH1 ARG 34 22.328 3.508 7.868 266 2HH1 ARG 34 2HH1 ARG 34 20.969 2.853 8.721 267 1HH2 ARG 34 1HH2 ARG 34 19.777 5.961 9.792 268 2HH2 ARG 34 2HH2 ARG 34 19.518 4.249 9.814 269 H ASN 35 H ASN 35 22.643 3.724 3.597 270 HA ASN 35 HA ASN 35 25.326 3.114 3.567 271 1HB ASN 35 2HB ASN 35 22.858 1.742 2.953 272 2HB ASN 35 3HB ASN 35 24.134 1.236 1.849 273 1HD2 ASN 35 1HD2 ASN 35 25.187 -0.476 2.510 274 2HD2 ASN 35 2HD2 ASN 35 25.511 -0.910 4.151 275 HA PRO 36 HA PRO 36 25.387 3.204 -1.255 276 1HB PRO 36 2HB PRO 36 23.193 4.173 -2.526 277 2HB PRO 36 3HB PRO 36 23.384 2.467 -2.105 278 1HG PRO 36 2HG PRO 36 21.845 4.607 -0.686 279 2HG PRO 36 3HG PRO 36 21.379 2.930 -1.022 280 1HD PRO 36 2HD PRO 36 22.304 3.728 1.394 281 2HD PRO 36 3HD PRO 36 22.603 2.102 0.747 282 HA PRO 37 HA PRO 37 26.526 7.421 -1.753 283 1HB PRO 37 2HB PRO 37 26.544 7.729 -4.450 284 2HB PRO 37 3HB PRO 37 27.761 6.785 -3.583 285 1HG PRO 37 2HG PRO 37 25.332 5.845 -5.059 286 2HG PRO 37 3HG PRO 37 26.973 5.171 -5.060 287 1HD PRO 37 2HD PRO 37 24.962 4.109 -3.590 288 2HD PRO 37 3HD PRO 37 26.656 4.068 -3.061 289 H GLY 38 H GLY 38 23.572 6.363 -3.305 290 1HA GLY 38 2HA GLY 38 22.148 8.680 -2.520 291 2HA GLY 38 3HA GLY 38 22.565 8.792 -4.224 292 H PHE 39 H PHE 39 21.031 6.631 -1.859 293 HA PHE 39 HA PHE 39 19.034 5.957 -3.899 294 1HB PHE 39 2HB PHE 39 21.030 4.180 -3.030 295 2HB PHE 39 3HB PHE 39 19.557 3.674 -2.210 296 HD1 PHE 39 HD1 PHE 39 18.460 1.972 -3.267 297 HD2 PHE 39 HD2 PHE 39 20.430 4.920 -5.622 298 HE1 PHE 39 HE1 PHE 39 17.711 0.832 -5.315 299 HE2 PHE 39 HE2 PHE 39 19.684 3.785 -7.673 300 HZ PHE 39 HZ PHE 39 18.321 1.739 -7.522 301 H ALA 40 H ALA 40 16.982 5.871 -3.162 302 HA ALA 40 HA ALA 40 16.534 5.816 -0.261 303 1HB ALA 40 1HB ALA 40 15.559 7.893 -2.194 304 2HB ALA 40 2HB ALA 40 14.719 7.573 -0.676 305 3HB ALA 40 3HB ALA 40 16.397 8.116 -0.658 306 H PHE 41 H PHE 41 14.445 5.098 0.380 307 HA PHE 41 HA PHE 41 12.927 3.731 -1.742 308 1HB PHE 41 2HB PHE 41 14.085 2.001 -0.586 309 2HB PHE 41 3HB PHE 41 13.715 2.706 0.984 310 HD1 PHE 41 HD1 PHE 41 11.792 2.084 2.154 311 HD2 PHE 41 HD2 PHE 41 12.185 1.052 -1.956 312 HE1 PHE 41 HE1 PHE 41 9.796 0.656 2.325 313 HE2 PHE 41 HE2 PHE 41 10.189 -0.376 -1.792 314 HZ PHE 41 HZ PHE 41 8.991 -0.575 0.350 315 H VAL 42 H VAL 42 10.695 3.665 -1.525 316 HA VAL 42 HA VAL 42 9.533 5.152 0.728 317 HB VAL 42 HB VAL 42 8.650 5.544 -2.131 318 1HG1 VAL 42 1HG1 VAL 42 7.693 7.661 -0.854 319 2HG1 VAL 42 2HG1 VAL 42 6.813 6.133 -0.916 320 3HG1 VAL 42 3HG1 VAL 42 7.756 6.552 0.515 321 1HG2 VAL 42 1HG2 VAL 42 9.740 7.703 -2.072 322 2HG2 VAL 42 2HG2 VAL 42 10.306 7.405 -0.429 323 3HG2 VAL 42 3HG2 VAL 42 10.924 6.433 -1.764 324 H GLU 43 H GLU 43 7.344 4.651 1.200 325 HA GLU 43 HA GLU 43 6.404 2.133 -0.010 326 1HB GLU 43 2HB GLU 43 7.260 2.023 2.394 327 2HB GLU 43 3HB GLU 43 5.849 2.977 2.829 328 1HG GLU 43 2HG GLU 43 4.444 1.243 2.618 329 2HG GLU 43 3HG GLU 43 5.285 0.596 1.211 330 H PHE 44 H PHE 44 4.631 2.444 -1.165 331 HA PHE 44 HA PHE 44 2.849 4.670 -0.498 332 1HB PHE 44 2HB PHE 44 3.707 3.419 -2.956 333 2HB PHE 44 3HB PHE 44 1.949 3.429 -2.853 334 HD1 PHE 44 HD1 PHE 44 1.249 5.879 -1.605 335 HD2 PHE 44 HD2 PHE 44 4.427 5.104 -4.328 336 HE1 PHE 44 HE1 PHE 44 1.221 8.238 -2.303 337 HE2 PHE 44 HE2 PHE 44 4.405 7.462 -5.030 338 HZ PHE 44 HZ PHE 44 2.802 9.033 -4.017 339 H GLU 45 H GLU 45 1.067 4.289 0.624 340 HA GLU 45 HA GLU 45 0.207 1.789 1.474 341 1HB GLU 45 2HB GLU 45 -1.827 2.897 2.225 342 2HB GLU 45 3HB GLU 45 -0.423 3.898 2.570 343 1HG GLU 45 2HG GLU 45 -1.008 5.014 0.291 344 2HG GLU 45 3HG GLU 45 -2.598 4.309 0.575 345 H ASP 46 H ASP 46 -0.530 3.546 -1.439 346 HA ASP 46 HA ASP 46 -2.190 1.282 -2.326 347 1HB ASP 46 2HB ASP 46 -2.931 4.063 -2.105 348 2HB ASP 46 3HB ASP 46 -3.024 3.537 -3.783 349 HA PRO 47 HA PRO 47 0.521 1.018 -5.773 350 1HB PRO 47 2HB PRO 47 -1.148 -0.086 -7.608 351 2HB PRO 47 3HB PRO 47 -0.492 -0.991 -6.240 352 1HG PRO 47 2HG PRO 47 -3.181 0.287 -6.551 353 2HG PRO 47 3HG PRO 47 -2.768 -1.300 -5.877 354 1HD PRO 47 2HD PRO 47 -3.308 0.849 -4.320 355 2HD PRO 47 3HD PRO 47 -2.158 -0.415 -3.838 356 H ARG 48 H ARG 48 -2.732 2.235 -6.583 357 HA ARG 48 HA ARG 48 -2.195 3.462 -8.982 358 1HB ARG 48 2HB ARG 48 -4.430 3.253 -7.802 359 2HB ARG 48 3HB ARG 48 -3.975 4.671 -6.868 360 1HG ARG 48 2HG ARG 48 -3.783 5.964 -8.944 361 2HG ARG 48 3HG ARG 48 -4.281 4.540 -9.860 362 1HD ARG 48 2HD ARG 48 -5.885 6.136 -7.880 363 2HD ARG 48 3HD ARG 48 -6.217 5.875 -9.592 364 HE ARG 48 HE ARG 48 -6.847 4.107 -7.409 365 1HH1 ARG 48 1HH1 ARG 48 -6.293 4.365 -10.836 366 2HH1 ARG 48 2HH1 ARG 48 -7.198 2.939 -11.222 367 1HH2 ARG 48 1HH2 ARG 48 -8.041 2.227 -7.904 368 2HH2 ARG 48 2HH2 ARG 48 -8.192 1.724 -9.553 369 H ASP 49 H ASP 49 -1.803 4.827 -5.727 370 HA ASP 49 HA ASP 49 -0.963 7.383 -6.492 371 1HB ASP 49 2HB ASP 49 0.001 5.913 -4.036 372 2HB ASP 49 3HB ASP 49 -0.180 7.652 -4.250 373 H ALA 50 H ALA 50 0.814 4.372 -6.136 374 HA ALA 50 HA ALA 50 3.403 5.548 -6.417 375 1HB ALA 50 1HB ALA 50 3.839 2.979 -7.073 376 2HB ALA 50 2HB ALA 50 3.687 3.548 -5.410 377 3HB ALA 50 3HB ALA 50 2.302 2.819 -6.223 378 H GLU 51 H GLU 51 1.138 3.949 -8.616 379 HA GLU 51 HA GLU 51 2.795 3.821 -10.868 380 1HB GLU 51 2HB GLU 51 0.096 3.261 -10.259 381 2HB GLU 51 3HB GLU 51 0.076 4.350 -11.638 382 1HG GLU 51 2HG GLU 51 1.143 2.858 -13.013 383 2HG GLU 51 3HG GLU 51 1.911 2.007 -11.673 384 H ASP 52 H ASP 52 0.566 6.358 -9.787 385 HA ASP 52 HA ASP 52 1.043 8.068 -12.014 386 1HB ASP 52 2HB ASP 52 -0.511 8.147 -9.542 387 2HB ASP 52 3HB ASP 52 0.176 9.713 -9.964 388 H ALA 53 H ALA 53 2.215 8.065 -8.657 389 HA ALA 53 HA ALA 53 3.814 10.346 -8.806 390 1HB ALA 53 1HB ALA 53 3.158 8.954 -6.759 391 2HB ALA 53 2HB ALA 53 4.561 7.960 -7.151 392 3HB ALA 53 3HB ALA 53 4.769 9.672 -6.784 393 H VAL 54 H VAL 54 4.738 6.936 -9.276 394 HA VAL 54 HA VAL 54 7.426 7.421 -9.925 395 HB VAL 54 HB VAL 54 5.636 5.128 -10.735 396 1HG1 VAL 54 1HG1 VAL 54 8.455 5.735 -11.343 397 2HG1 VAL 54 2HG1 VAL 54 8.124 4.095 -10.783 398 3HG1 VAL 54 3HG1 VAL 54 7.297 4.725 -12.208 399 1HG2 VAL 54 1HG2 VAL 54 7.787 4.949 -8.682 400 2HG2 VAL 54 2HG2 VAL 54 6.257 5.712 -8.247 401 3HG2 VAL 54 3HG2 VAL 54 6.279 4.044 -8.818 402 H ARG 55 H ARG 55 4.591 6.951 -12.022 403 HA ARG 55 HA ARG 55 5.838 7.104 -14.487 404 1HB ARG 55 2HB ARG 55 3.095 7.774 -13.509 405 2HB ARG 55 3HB ARG 55 3.543 8.230 -15.148 406 1HG ARG 55 2HG ARG 55 3.971 5.954 -15.738 407 2HG ARG 55 3HG ARG 55 3.768 5.433 -14.064 408 1HD ARG 55 2HD ARG 55 1.560 5.281 -14.302 409 2HD ARG 55 3HD ARG 55 1.462 6.904 -14.983 410 HE ARG 55 HE ARG 55 2.449 5.090 -16.913 411 1HH1 ARG 55 1HH1 ARG 55 -0.477 5.998 -15.260 412 2HH1 ARG 55 2HH1 ARG 55 -1.518 5.487 -16.547 413 1HH2 ARG 55 1HH2 ARG 55 1.089 4.413 -18.615 414 2HH2 ARG 55 2HH2 ARG 55 -0.626 4.585 -18.455 415 H GLY 56 H GLY 56 4.695 9.728 -12.400 416 1HA GLY 56 2HA GLY 56 5.439 11.780 -14.278 417 2HA GLY 56 3HA GLY 56 4.896 12.024 -12.624 418 H LEU 57 H LEU 57 6.604 11.088 -10.977 419 HA LEU 57 HA LEU 57 8.769 12.746 -10.911 420 1HB LEU 57 2HB LEU 57 8.201 10.095 -9.683 421 2HB LEU 57 3HB LEU 57 9.825 10.762 -9.528 422 HG LEU 57 HG LEU 57 8.233 11.172 -7.601 423 1HD1 LEU 57 1HD1 LEU 57 8.958 13.867 -8.372 424 2HD1 LEU 57 2HD1 LEU 57 10.257 12.717 -8.686 425 3HD1 LEU 57 3HD1 LEU 57 9.578 12.858 -7.065 426 1HD2 LEU 57 1HD2 LEU 57 7.025 13.082 -9.598 427 2HD2 LEU 57 2HD2 LEU 57 6.675 13.053 -7.870 428 3HD2 LEU 57 3HD2 LEU 57 6.235 11.677 -8.883 429 H ASP 58 H ASP 58 8.721 9.422 -12.169 430 HA ASP 58 HA ASP 58 11.450 9.597 -13.080 431 1HB ASP 58 2HB ASP 58 11.328 7.358 -13.218 432 2HB ASP 58 3HB ASP 58 9.748 7.510 -12.454 433 H GLY 59 H GLY 59 8.247 9.954 -14.449 434 1HA GLY 59 2HA GLY 59 8.734 9.717 -17.153 435 2HA GLY 59 3HA GLY 59 7.568 10.835 -16.460 436 H LYS 60 H LYS 60 9.182 12.617 -15.146 437 HA LYS 60 HA LYS 60 11.157 13.582 -17.061 438 1HB LYS 60 2HB LYS 60 8.498 14.650 -16.868 439 2HB LYS 60 3HB LYS 60 9.653 15.864 -16.334 440 1HG LYS 60 2HG LYS 60 9.792 14.391 -18.956 441 2HG LYS 60 3HG LYS 60 9.133 16.013 -18.734 442 1HD LYS 60 2HD LYS 60 11.909 15.384 -17.814 443 2HD LYS 60 3HD LYS 60 11.597 15.716 -19.519 444 1HE LYS 60 2HE LYS 60 10.391 17.616 -17.625 445 2HE LYS 60 3HE LYS 60 12.154 17.610 -17.662 446 1HZ LYS 60 1HZ LYS 60 11.742 19.078 -19.322 447 2HZ LYS 60 2HZ LYS 60 10.253 18.392 -19.738 448 3HZ LYS 60 3HZ LYS 60 11.693 17.659 -20.241 449 H VAL 61 H VAL 61 11.560 16.102 -16.007 450 HA VAL 61 HA VAL 61 12.783 15.422 -13.453 451 HB VAL 61 HB VAL 61 13.058 17.887 -15.177 452 1HG1 VAL 61 1HG1 VAL 61 13.912 17.302 -12.439 453 2HG1 VAL 61 2HG1 VAL 61 15.207 17.871 -13.495 454 3HG1 VAL 61 3HG1 VAL 61 13.754 18.847 -13.274 455 1HG2 VAL 61 1HG2 VAL 61 14.489 15.311 -15.010 456 2HG2 VAL 61 2HG2 VAL 61 14.278 16.406 -16.376 457 3HG2 VAL 61 3HG2 VAL 61 15.495 16.754 -15.149 458 H ILE 62 H ILE 62 12.306 16.364 -11.519 459 HA ILE 62 HA ILE 62 9.965 18.156 -11.480 460 HB ILE 62 HB ILE 62 9.311 16.117 -10.459 461 1HG1 ILE 62 2HG1 ILE 62 9.239 18.498 -9.122 462 2HG1 ILE 62 3HG1 ILE 62 8.403 17.038 -8.606 463 1HG2 ILE 62 1HG2 ILE 62 10.608 15.128 -8.567 464 2HG2 ILE 62 2HG2 ILE 62 11.424 15.057 -10.128 465 3HG2 ILE 62 3HG2 ILE 62 11.905 16.265 -8.935 466 1HD1 ILE 62 1HD1 ILE 62 9.730 18.225 -6.842 467 2HD1 ILE 62 2HD1 ILE 62 10.099 16.513 -7.048 468 3HD1 ILE 62 3HD1 ILE 62 11.183 17.735 -7.713 469 H CYS 63 H CYS 63 10.375 20.153 -10.828 470 HA CYS 63 HA CYS 63 11.484 21.961 -9.986 471 1HB CYS 63 2HB CYS 63 10.484 20.624 -7.947 472 2HB CYS 63 3HB CYS 63 12.179 20.347 -7.565 473 HG CYS 63 HG CYS 63 12.366 22.514 -6.216 474 H GLY 64 H GLY 64 13.105 20.690 -11.728 475 1HA GLY 64 2HA GLY 64 15.310 20.598 -12.367 476 2HA GLY 64 3HA GLY 64 15.681 21.519 -10.917 477 H SER 65 H SER 65 14.068 18.428 -10.773 478 HA SER 65 HA SER 65 16.563 17.201 -9.802 479 1HB SER 65 2HB SER 65 13.835 16.645 -8.628 480 2HB SER 65 3HB SER 65 15.403 16.134 -8.002 481 HG SER 65 HG SER 65 15.851 18.232 -7.441 482 H ARG 66 H ARG 66 17.026 15.940 -11.533 483 HA ARG 66 HA ARG 66 14.949 14.360 -12.804 484 1HB ARG 66 2HB ARG 66 16.717 13.666 -14.353 485 2HB ARG 66 3HB ARG 66 16.656 15.416 -14.199 486 1HG ARG 66 2HG ARG 66 18.795 15.460 -13.647 487 2HG ARG 66 3HG ARG 66 18.479 14.410 -12.264 488 1HD ARG 66 2HD ARG 66 18.481 12.523 -14.072 489 2HD ARG 66 3HD ARG 66 19.384 13.704 -15.021 490 HE ARG 66 HE ARG 66 20.588 13.566 -12.523 491 1HH1 ARG 66 1HH1 ARG 66 20.010 11.475 -15.246 492 2HH1 ARG 66 2HH1 ARG 66 21.431 10.520 -14.980 493 1HH2 ARG 66 1HH2 ARG 66 22.462 12.315 -12.162 494 2HH2 ARG 66 2HH2 ARG 66 22.824 10.998 -13.225 495 H VAL 67 H VAL 67 15.067 13.578 -10.238 496 HA VAL 67 HA VAL 67 16.898 11.526 -9.629 497 HB VAL 67 HB VAL 67 14.079 11.675 -8.575 498 1HG1 VAL 67 1HG1 VAL 67 16.665 10.523 -7.577 499 2HG1 VAL 67 2HG1 VAL 67 15.319 10.869 -6.490 500 3HG1 VAL 67 3HG1 VAL 67 15.114 9.717 -7.810 501 1HG2 VAL 67 1HG2 VAL 67 16.396 13.470 -8.105 502 2HG2 VAL 67 2HG2 VAL 67 14.669 13.827 -8.104 503 3HG2 VAL 67 3HG2 VAL 67 15.405 13.026 -6.715 504 H ARG 68 H ARG 68 16.462 9.229 -9.444 505 HA ARG 68 HA ARG 68 14.781 8.271 -11.660 506 1HB ARG 68 2HB ARG 68 17.445 7.821 -11.209 507 2HB ARG 68 3HB ARG 68 16.714 6.390 -10.493 508 1HG ARG 68 2HG ARG 68 15.913 7.262 -13.234 509 2HG ARG 68 3HG ARG 68 17.415 6.370 -12.986 510 1HD ARG 68 2HD ARG 68 16.270 4.502 -12.101 511 2HD ARG 68 3HD ARG 68 14.771 5.412 -11.925 512 HE ARG 68 HE ARG 68 14.282 4.940 -14.105 513 1HH1 ARG 68 1HH1 ARG 68 17.682 4.411 -13.574 514 2HH1 ARG 68 2HH1 ARG 68 17.953 3.728 -15.143 515 1HH2 ARG 68 1HH2 ARG 68 14.627 4.043 -16.173 516 2HH2 ARG 68 2HH2 ARG 68 16.215 3.520 -16.621 517 H VAL 69 H VAL 69 12.839 7.754 -10.837 518 HA VAL 69 HA VAL 69 12.770 6.083 -8.410 519 HB VAL 69 HB VAL 69 11.570 8.063 -7.937 520 1HG1 VAL 69 1HG1 VAL 69 10.714 7.833 -10.752 521 2HG1 VAL 69 2HG1 VAL 69 9.526 8.494 -9.627 522 3HG1 VAL 69 3HG1 VAL 69 11.105 9.262 -9.796 523 1HG2 VAL 69 1HG2 VAL 69 9.310 7.284 -7.580 524 2HG2 VAL 69 2HG2 VAL 69 9.515 6.029 -8.803 525 3HG2 VAL 69 3HG2 VAL 69 10.439 5.958 -7.303 526 H GLU 70 H GLU 70 11.614 4.189 -8.409 527 HA GLU 70 HA GLU 70 10.083 3.439 -10.768 528 1HB GLU 70 2HB GLU 70 12.756 2.678 -10.545 529 2HB GLU 70 3HB GLU 70 11.854 1.262 -10.024 530 1HG GLU 70 2HG GLU 70 10.493 1.537 -12.150 531 2HG GLU 70 3HG GLU 70 11.736 2.675 -12.665 532 H LEU 71 H LEU 71 8.985 1.311 -10.456 533 HA LEU 71 HA LEU 71 8.265 0.980 -7.623 534 1HB LEU 71 2HB LEU 71 6.103 0.471 -8.244 535 2HB LEU 71 3HB LEU 71 6.556 1.710 -9.413 536 HG LEU 71 HG LEU 71 6.601 -1.253 -9.975 537 1HD1 LEU 71 1HD1 LEU 71 4.612 -0.163 -11.506 538 2HD1 LEU 71 2HD1 LEU 71 4.416 0.680 -9.970 539 3HD1 LEU 71 3HD1 LEU 71 4.375 -1.082 -10.020 540 1HD2 LEU 71 1HD2 LEU 71 8.104 -0.132 -11.421 541 2HD2 LEU 71 2HD2 LEU 71 6.977 1.200 -11.678 542 3HD2 LEU 71 3HD2 LEU 71 6.626 -0.395 -12.346 543 H SER 72 H SER 72 8.627 -0.906 -6.640 544 HA SER 72 HA SER 72 10.051 -2.976 -8.006 545 1HB SER 72 2HB SER 72 9.814 -2.157 -5.364 546 2HB SER 72 3HB SER 72 9.001 -3.722 -5.388 547 HG SER 72 HG SER 72 11.227 -3.966 -5.001 548 H THR 73 H THR 73 6.877 -2.847 -6.394 549 HA THR 73 HA THR 73 6.100 -5.250 -7.909 550 HB THR 73 HB THR 73 4.285 -4.482 -5.758 551 HG1 THR 73 HG1 THR 73 7.007 -5.072 -5.163 552 1HG2 THR 73 1HG2 THR 73 4.463 -6.675 -7.063 553 2HG2 THR 73 2HG2 THR 73 4.274 -6.794 -5.313 554 3HG2 THR 73 3HG2 THR 73 5.861 -7.027 -6.047 555 H GLY 74 H GLY 74 3.657 -5.340 -8.324 556 1HA GLY 74 2HA GLY 74 1.647 -4.229 -8.903 557 2HA GLY 74 3HA GLY 74 2.514 -2.700 -8.876 558 H MET 75 H MET 75 3.866 -5.441 -10.525 559 HA MET 75 HA MET 75 3.244 -4.138 -13.094 560 1HB MET 75 2HB MET 75 5.729 -5.355 -12.018 561 2HB MET 75 3HB MET 75 5.392 -5.617 -13.724 562 1HG MET 75 2HG MET 75 5.209 -2.856 -12.636 563 2HG MET 75 3HG MET 75 6.799 -3.563 -12.912 564 1HE MET 75 1HE MET 75 7.862 -2.440 -14.568 565 2HE MET 75 2HE MET 75 7.825 -3.923 -15.522 566 3HE MET 75 3HE MET 75 7.438 -2.377 -16.279 567 HA PRO 76 HA PRO 76 1.097 -8.185 -13.285 568 1HB PRO 76 2HB PRO 76 -0.895 -7.283 -14.894 569 2HB PRO 76 3HB PRO 76 -0.922 -7.099 -13.137 570 1HG PRO 76 2HG PRO 76 -0.156 -5.109 -15.238 571 2HG PRO 76 3HG PRO 76 -1.139 -4.875 -13.780 572 1HD PRO 76 2HD PRO 76 1.467 -4.151 -13.911 573 2HD PRO 76 3HD PRO 76 0.706 -4.713 -12.409 574 H ARG 77 H ARG 77 2.016 -9.593 -14.632 575 HA ARG 77 HA ARG 77 2.020 -9.025 -17.498 576 1HB ARG 77 2HB ARG 77 4.331 -8.734 -16.006 577 2HB ARG 77 3HB ARG 77 4.476 -10.361 -16.658 578 1HG ARG 77 2HG ARG 77 3.757 -9.097 -18.888 579 2HG ARG 77 3HG ARG 77 4.518 -7.749 -18.041 580 1HD ARG 77 2HD ARG 77 6.594 -8.760 -18.023 581 2HD ARG 77 3HD ARG 77 5.919 -10.381 -18.181 582 HE ARG 77 HE ARG 77 5.987 -10.146 -20.454 583 1HH1 ARG 77 1HH1 ARG 77 6.295 -7.008 -18.979 584 2HH1 ARG 77 2HH1 ARG 77 6.645 -6.197 -20.470 585 1HH2 ARG 77 1HH2 ARG 77 6.446 -9.090 -22.423 586 2HH2 ARG 77 2HH2 ARG 77 6.729 -7.382 -22.429 587 H ARG 78 H ARG 78 2.892 -11.100 -18.676 588 HA ARG 78 HA ARG 78 1.297 -13.308 -17.640 589 1HB ARG 78 2HB ARG 78 1.616 -14.295 -19.878 590 2HB ARG 78 3HB ARG 78 0.940 -12.674 -19.958 591 1HG ARG 78 2HG ARG 78 2.504 -12.383 -21.540 592 2HG ARG 78 3HG ARG 78 3.566 -12.106 -20.158 593 1HD ARG 78 2HD ARG 78 4.745 -13.656 -21.421 594 2HD ARG 78 3HD ARG 78 3.935 -14.658 -20.218 595 HE ARG 78 HE ARG 78 2.194 -14.694 -22.266 596 1HH1 ARG 78 1HH1 ARG 78 5.624 -15.262 -22.090 597 2HH1 ARG 78 2HH1 ARG 78 5.638 -16.384 -23.410 598 1HH2 ARG 78 1HH2 ARG 78 2.199 -16.169 -24.005 599 2HH2 ARG 78 2HH2 ARG 78 3.689 -16.898 -24.500 600 H SER 79 H SER 79 4.619 -12.615 -18.643 601 HA SER 79 HA SER 79 5.467 -15.044 -17.210 602 1HB SER 79 2HB SER 79 7.327 -15.237 -18.885 603 2HB SER 79 3HB SER 79 5.722 -15.514 -19.561 604 HG SER 79 HG SER 79 7.136 -14.087 -20.798 605 H ARG 80 H ARG 80 8.106 -14.816 -17.143 606 HA ARG 80 HA ARG 80 9.843 -13.813 -16.072 607 1HB ARG 80 2HB ARG 80 8.580 -11.189 -16.865 608 2HB ARG 80 3HB ARG 80 10.273 -11.497 -16.506 609 1HG ARG 80 2HG ARG 80 9.652 -13.246 -18.581 610 2HG ARG 80 3HG ARG 80 8.851 -11.729 -18.997 611 1HD ARG 80 2HD ARG 80 11.096 -10.624 -18.403 612 2HD ARG 80 3HD ARG 80 11.766 -12.251 -18.517 613 HE ARG 80 HE ARG 80 10.912 -10.571 -20.687 614 1HH1 ARG 80 1HH1 ARG 80 11.483 -13.845 -19.652 615 2HH1 ARG 80 2HH1 ARG 80 11.727 -14.449 -21.257 616 1HH2 ARG 80 1HH2 ARG 80 11.231 -11.353 -22.806 617 2HH2 ARG 80 2HH2 ARG 80 11.584 -13.030 -23.051 618 H PHE 81 H PHE 81 7.055 -14.123 -14.820 619 HA PHE 81 HA PHE 81 7.701 -12.621 -12.385 620 1HB PHE 81 2HB PHE 81 5.164 -12.526 -13.952 621 2HB PHE 81 3HB PHE 81 5.057 -12.468 -12.196 622 HD1 PHE 81 HD1 PHE 81 6.224 -10.637 -10.963 623 HD2 PHE 81 HD2 PHE 81 5.830 -10.649 -15.201 624 HE1 PHE 81 HE1 PHE 81 6.716 -8.226 -11.012 625 HE2 PHE 81 HE2 PHE 81 6.322 -8.239 -15.257 626 HZ PHE 81 HZ PHE 81 6.766 -7.024 -13.161 627 H ASP 82 H ASP 82 7.868 -13.963 -10.728 628 HA ASP 82 HA ASP 82 6.736 -16.639 -10.917 629 1HB ASP 82 2HB ASP 82 9.133 -15.765 -9.982 630 2HB ASP 82 3HB ASP 82 8.218 -15.872 -8.480 631 H ARG 83 H ARG 83 6.589 -13.813 -8.783 632 HA ARG 83 HA ARG 83 4.315 -15.036 -7.382 633 1HB ARG 83 2HB ARG 83 6.491 -13.260 -6.579 634 2HB ARG 83 3HB ARG 83 4.914 -12.689 -6.049 635 1HG ARG 83 2HG ARG 83 4.764 -15.305 -5.368 636 2HG ARG 83 3HG ARG 83 6.488 -14.995 -5.154 637 1HD ARG 83 2HD ARG 83 5.355 -12.790 -4.001 638 2HD ARG 83 3HD ARG 83 4.194 -14.054 -3.600 639 HE ARG 83 HE ARG 83 6.541 -15.188 -2.935 640 1HH1 ARG 83 1HH1 ARG 83 5.128 -12.095 -2.190 641 2HH1 ARG 83 2HH1 ARG 83 5.916 -11.959 -0.653 642 1HH2 ARG 83 1HH2 ARG 83 7.584 -15.021 -0.914 643 2HH2 ARG 83 2HH2 ARG 83 7.314 -13.624 0.071 644 HA PRO 84 HA PRO 84 1.374 -12.256 -9.075 645 1HB PRO 84 2HB PRO 84 -0.193 -11.679 -6.935 646 2HB PRO 84 3HB PRO 84 -0.203 -13.255 -7.736 647 1HG PRO 84 2HG PRO 84 1.200 -12.414 -5.230 648 2HG PRO 84 3HG PRO 84 0.307 -13.908 -5.564 649 1HD PRO 84 2HD PRO 84 3.010 -13.779 -5.640 650 2HD PRO 84 3HD PRO 84 2.076 -14.863 -6.691 651 HA PRO 85 HA PRO 85 2.871 -8.145 -8.416 652 1HB PRO 85 2HB PRO 85 0.974 -6.819 -9.834 653 2HB PRO 85 3HB PRO 85 2.270 -7.747 -10.597 654 1HG PRO 85 2HG PRO 85 -0.575 -8.529 -10.093 655 2HG PRO 85 3HG PRO 85 0.417 -8.789 -11.540 656 1HD PRO 85 2HD PRO 85 -0.029 -10.735 -9.711 657 2HD PRO 85 3HD PRO 85 1.483 -10.620 -10.633 658 H ALA 86 H ALA 86 2.333 -6.210 -7.320 659 HA ALA 86 HA ALA 86 0.312 -6.564 -5.274 660 1HB ALA 86 1HB ALA 86 1.310 -4.716 -4.166 661 2HB ALA 86 2HB ALA 86 2.625 -5.699 -4.810 662 3HB ALA 86 3HB ALA 86 2.154 -4.210 -5.629 663 H ARG 87 H ARG 87 -1.060 -6.401 -7.541 664 HA ARG 87 HA ARG 87 -1.861 -3.628 -7.979 665 1HB ARG 87 2HB ARG 87 -2.645 -6.199 -9.361 666 2HB ARG 87 3HB ARG 87 -3.302 -4.621 -9.775 667 1HG ARG 87 2HG ARG 87 -0.388 -5.367 -9.908 668 2HG ARG 87 3HG ARG 87 -1.496 -5.335 -11.281 669 1HD ARG 87 2HD ARG 87 -1.757 -2.855 -9.978 670 2HD ARG 87 3HD ARG 87 -0.028 -3.185 -10.081 671 HE ARG 87 HE ARG 87 -0.142 -2.941 -12.363 672 1HH1 ARG 87 1HH1 ARG 87 -3.358 -3.144 -11.044 673 2HH1 ARG 87 2HH1 ARG 87 -4.135 -2.695 -12.526 674 1HH2 ARG 87 1HH2 ARG 87 -1.154 -2.348 -14.320 675 2HH2 ARG 87 2HH2 ARG 87 -2.880 -2.243 -14.389 676 H ARG 88 H ARG 88 -2.885 -6.469 -6.323 677 HA ARG 88 HA ARG 88 -4.681 -6.948 -5.012 678 1HB ARG 88 2HB ARG 88 -4.650 -3.948 -4.954 679 2HB ARG 88 3HB ARG 88 -5.931 -4.839 -4.143 680 1HG ARG 88 2HG ARG 88 -3.145 -5.659 -3.571 681 2HG ARG 88 3HG ARG 88 -3.689 -4.111 -2.920 682 1HD ARG 88 2HD ARG 88 -5.752 -5.460 -2.117 683 2HD ARG 88 3HD ARG 88 -4.719 -6.867 -2.366 684 HE ARG 88 HE ARG 88 -3.516 -4.795 -0.770 685 1HH1 ARG 88 1HH1 ARG 88 -5.528 -7.636 -0.752 686 2HH1 ARG 88 2HH1 ARG 88 -5.205 -8.014 0.907 687 1HH2 ARG 88 1HH2 ARG 88 -3.082 -5.282 1.415 688 2HH2 ARG 88 2HH2 ARG 88 -3.814 -6.674 2.139 689 H LYS 89 H LYS 89 -5.272 -7.523 -7.492 690 HA LYS 89 HA LYS 89 -7.581 -6.109 -8.475 691 1HB LYS 89 2HB LYS 89 -5.694 -7.677 -9.663 692 2HB LYS 89 3HB LYS 89 -7.036 -8.806 -9.531 693 1HG LYS 89 2HG LYS 89 -8.242 -7.758 -11.104 694 2HG LYS 89 3HG LYS 89 -7.752 -6.152 -10.559 695 1HD LYS 89 2HD LYS 89 -6.822 -6.405 -12.712 696 2HD LYS 89 3HD LYS 89 -5.485 -6.654 -11.587 697 1HE LYS 89 2HE LYS 89 -5.622 -9.031 -11.856 698 2HE LYS 89 3HE LYS 89 -7.107 -8.889 -12.797 699 1HZ LYS 89 1HZ LYS 89 -4.349 -8.480 -13.612 700 2HZ LYS 89 2HZ LYS 89 -5.469 -7.381 -14.244 701 3HZ LYS 89 3HZ LYS 89 -5.672 -9.040 -14.506 702 H LEU 90 H LEU 90 -9.307 -8.011 -9.324 703 HA LEU 90 HA LEU 90 -10.926 -8.485 -7.111 704 1HB LEU 90 2HB LEU 90 -10.858 -9.505 -9.908 705 2HB LEU 90 3HB LEU 90 -11.933 -10.286 -8.751 706 HG LEU 90 HG LEU 90 -13.114 -8.617 -10.077 707 1HD1 LEU 90 1HD1 LEU 90 -14.374 -8.376 -8.273 708 2HD1 LEU 90 2HD1 LEU 90 -13.327 -7.063 -7.733 709 3HD1 LEU 90 3HD1 LEU 90 -12.994 -8.720 -7.230 710 1HD2 LEU 90 1HD2 LEU 90 -12.585 -6.266 -9.930 711 2HD2 LEU 90 2HD2 LEU 90 -11.175 -7.151 -10.514 712 3HD2 LEU 90 3HD2 LEU 90 -11.242 -6.603 -8.838 713 H LEU 91 H LEU 91 -9.627 -11.153 -9.066 714 HA LEU 91 HA LEU 91 -8.604 -13.109 -8.475 715 1HB LEU 91 2HB LEU 91 -7.724 -11.393 -6.549 716 2HB LEU 91 3HB LEU 91 -8.538 -12.621 -5.583 717 HG LEU 91 HG LEU 91 -6.126 -13.034 -5.802 718 1HD1 LEU 91 1HD1 LEU 91 -7.473 -15.183 -7.375 719 2HD1 LEU 91 2HD1 LEU 91 -7.993 -14.850 -5.723 720 3HD1 LEU 91 3HD1 LEU 91 -6.322 -15.314 -6.045 721 1HD2 LEU 91 1HD2 LEU 91 -6.650 -13.543 -8.722 722 2HD2 LEU 91 2HD2 LEU 91 -5.102 -13.556 -7.877 723 3HD2 LEU 91 3HD2 LEU 91 -5.969 -12.037 -8.109 724 H GLU 92 H GLU 92 -11.524 -11.992 -7.424 725 HA GLU 92 HA GLU 92 -12.277 -14.454 -6.034 726 1HB GLU 92 2HB GLU 92 -12.917 -11.997 -5.345 727 2HB GLU 92 3HB GLU 92 -14.183 -12.206 -6.547 728 1HG GLU 92 2HG GLU 92 -14.959 -14.209 -5.349 729 2HG GLU 92 3HG GLU 92 -13.726 -13.927 -4.121 730 H VAL 93 H VAL 93 -12.653 -12.815 -9.062 731 HA VAL 93 HA VAL 93 -14.775 -14.633 -9.922 732 HB VAL 93 HB VAL 93 -13.500 -12.414 -11.522 733 1HG1 VAL 93 1HG1 VAL 93 -15.820 -14.235 -11.896 734 2HG1 VAL 93 2HG1 VAL 93 -15.945 -12.585 -12.508 735 3HG1 VAL 93 3HG1 VAL 93 -14.648 -13.640 -13.071 736 1HG2 VAL 93 1HG2 VAL 93 -14.407 -11.070 -9.957 737 2HG2 VAL 93 2HG2 VAL 93 -15.913 -11.427 -10.803 738 3HG2 VAL 93 3HG2 VAL 93 -15.484 -12.328 -9.349 739 H LEU 94 H LEU 94 -14.576 -15.949 -11.778 740 HA LEU 94 HA LEU 94 -12.022 -16.258 -13.075 741 1HB LEU 94 2HB LEU 94 -12.080 -17.571 -10.806 742 2HB LEU 94 3HB LEU 94 -13.040 -18.721 -11.734 743 HG LEU 94 HG LEU 94 -10.685 -19.373 -11.624 744 1HD1 LEU 94 1HD1 LEU 94 -10.889 -18.607 -14.451 745 2HD1 LEU 94 2HD1 LEU 94 -12.299 -19.437 -13.794 746 3HD1 LEU 94 3HD1 LEU 94 -10.710 -20.198 -13.712 747 1HD2 LEU 94 1HD2 LEU 94 -10.178 -16.672 -11.899 748 2HD2 LEU 94 2HD2 LEU 94 -9.689 -17.349 -13.453 749 3HD2 LEU 94 3HD2 LEU 94 -8.986 -17.971 -11.959 750 H PHE 95 H PHE 95 -12.301 -16.947 -15.107 751 HA PHE 95 HA PHE 95 -14.952 -17.991 -15.835 752 1HB PHE 95 2HB PHE 95 -12.901 -16.417 -17.381 753 2HB PHE 95 3HB PHE 95 -14.214 -17.270 -18.186 754 HD1 PHE 95 HD1 PHE 95 -16.598 -16.793 -17.008 755 HD2 PHE 95 HD2 PHE 95 -13.230 -14.189 -16.996 756 HE1 PHE 95 HE1 PHE 95 -18.087 -14.874 -16.616 757 HE2 PHE 95 HE2 PHE 95 -14.714 -12.266 -16.603 758 HZ PHE 95 HZ PHE 95 -17.146 -12.607 -16.412 759 H ASN 96 H ASN 96 -15.098 -20.059 -16.368 760 HA ASN 96 HA ASN 96 -12.649 -21.505 -17.101 761 1HB ASN 96 2HB ASN 96 -15.275 -22.409 -15.926 762 2HB ASN 96 3HB ASN 96 -14.110 -23.547 -16.596 763 1HD2 ASN 96 1HD2 ASN 96 -14.192 -20.775 -14.382 764 2HD2 ASN 96 2HD2 ASN 96 -13.137 -21.470 -13.203 765 H GLY 97 H GLY 97 -14.226 -19.838 -18.949 766 1HA GLY 97 2HA GLY 97 -14.871 -19.938 -21.151 767 2HA GLY 97 3HA GLY 97 -14.213 -21.568 -21.182 768 HA PRO 98 HA PRO 98 -18.811 -22.037 -19.760 769 1HB PRO 98 2HB PRO 98 -20.351 -19.803 -19.846 770 2HB PRO 98 3HB PRO 98 -19.437 -20.285 -18.412 771 1HG PRO 98 2HG PRO 98 -18.748 -18.258 -20.504 772 2HG PRO 98 3HG PRO 98 -18.576 -18.151 -18.742 773 1HD PRO 98 2HD PRO 98 -16.493 -18.715 -20.377 774 2HD PRO 98 3HD PRO 98 -16.621 -19.370 -18.732 775 H LEU 99 H LEU 99 -17.830 -19.955 -22.358 776 HA LEU 99 HA LEU 99 -20.043 -20.959 -24.021 777 1HB LEU 99 2HB LEU 99 -18.813 -18.364 -23.739 778 2HB LEU 99 3HB LEU 99 -18.733 -18.921 -25.410 779 HG LEU 99 HG LEU 99 -20.699 -17.503 -24.951 780 1HD1 LEU 99 1HD1 LEU 99 -20.569 -19.619 -26.543 781 2HD1 LEU 99 2HD1 LEU 99 -22.049 -18.680 -26.350 782 3HD1 LEU 99 3HD1 LEU 99 -21.842 -20.191 -25.464 783 1HD2 LEU 99 1HD2 LEU 99 -20.858 -18.752 -22.570 784 2HD2 LEU 99 2HD2 LEU 99 -22.075 -19.652 -23.475 785 3HD2 LEU 99 3HD2 LEU 99 -22.206 -17.899 -23.321 786 H GLU 100 H GLU 100 -19.461 -21.247 -26.362 787 HA GLU 100 HA GLU 100 -17.022 -22.828 -26.514 788 1HB GLU 100 2HB GLU 100 -17.919 -23.668 -28.617 789 2HB GLU 100 3HB GLU 100 -19.127 -23.788 -27.345 790 1HG GLU 100 2HG GLU 100 -20.422 -22.088 -28.232 791 2HG GLU 100 3HG GLU 100 -19.083 -21.420 -29.165 792 H HIS 101 H HIS 101 -17.516 -19.701 -26.775 793 HA HIS 101 HA HIS 101 -16.499 -17.960 -27.828 794 1HB HIS 101 2HB HIS 101 -14.417 -18.911 -27.199 795 2HB HIS 101 3HB HIS 101 -14.542 -20.178 -28.416 796 HD1 HIS 101 HD1 HIS 101 -13.420 -19.737 -30.596 797 HD2 HIS 101 HD2 HIS 101 -13.956 -16.268 -28.373 798 HE1 HIS 101 HE1 HIS 101 -12.207 -17.933 -31.860 Start of MODEL 20 1 1H MET 1 H MET 1 1.161 1.009 0.739 2 HA MET 1 HA MET 1 2.321 -0.908 -0.049 3 1HB MET 1 2HB MET 1 2.614 0.409 -2.733 4 2HB MET 1 3HB MET 1 2.749 -1.295 -2.321 5 1HG MET 1 2HG MET 1 0.165 -0.711 -1.622 6 2HG MET 1 3HG MET 1 0.415 0.276 -3.060 7 1HE MET 1 1HE MET 1 -0.598 -2.110 -5.653 8 2HE MET 1 2HE MET 1 -1.439 -1.085 -4.491 9 3HE MET 1 3HE MET 1 0.021 -0.499 -5.289 10 H LYS 2 H LYS 2 4.659 -1.092 -0.981 11 HA LYS 2 HA LYS 2 6.188 1.027 0.283 12 1HB LYS 2 2HB LYS 2 7.012 -1.626 -0.906 13 2HB LYS 2 3HB LYS 2 8.127 -0.498 -0.145 14 1HG LYS 2 2HG LYS 2 6.052 -0.877 1.696 15 2HG LYS 2 3HG LYS 2 6.434 -2.477 1.054 16 1HD LYS 2 2HD LYS 2 8.859 -1.948 1.508 17 2HD LYS 2 3HD LYS 2 8.300 -0.523 2.386 18 1HE LYS 2 2HE LYS 2 7.750 -1.735 4.175 19 2HE LYS 2 3HE LYS 2 6.886 -2.919 3.196 20 1HZ LYS 2 1HZ LYS 2 9.055 -3.530 4.541 21 2HZ LYS 2 2HZ LYS 2 9.804 -2.991 3.123 22 3HZ LYS 2 3HZ LYS 2 8.689 -4.262 3.060 23 H VAL 3 H VAL 3 7.717 2.311 -0.721 24 HA VAL 3 HA VAL 3 7.767 2.221 -3.666 25 HB VAL 3 HB VAL 3 8.046 4.848 -2.289 26 1HG1 VAL 3 1HG1 VAL 3 7.160 3.828 -4.955 27 2HG1 VAL 3 2HG1 VAL 3 6.677 5.438 -4.418 28 3HG1 VAL 3 3HG1 VAL 3 8.387 5.033 -4.568 29 1HG2 VAL 3 1HG2 VAL 3 5.592 5.179 -2.407 30 2HG2 VAL 3 2HG2 VAL 3 5.409 3.463 -2.767 31 3HG2 VAL 3 3HG2 VAL 3 6.074 3.972 -1.215 32 H TYR 4 H TYR 4 9.696 2.841 -4.667 33 HA TYR 4 HA TYR 4 11.991 3.398 -2.936 34 1HB TYR 4 2HB TYR 4 12.652 1.254 -3.130 35 2HB TYR 4 3HB TYR 4 11.516 0.930 -4.435 36 HD1 TYR 4 HD1 TYR 4 14.837 2.429 -3.706 37 HD2 TYR 4 HD2 TYR 4 12.262 0.759 -6.653 38 HE1 TYR 4 HE1 TYR 4 16.699 2.407 -5.312 39 HE2 TYR 4 HE2 TYR 4 14.118 0.731 -8.267 40 HH TYR 4 HH TYR 4 16.220 1.708 -8.672 41 H VAL 5 H VAL 5 12.844 5.218 -3.670 42 HA VAL 5 HA VAL 5 12.796 5.743 -6.568 43 HB VAL 5 HB VAL 5 13.192 8.142 -5.904 44 1HG1 VAL 5 1HG1 VAL 5 10.726 8.163 -4.776 45 2HG1 VAL 5 2HG1 VAL 5 11.030 8.002 -6.507 46 3HG1 VAL 5 3HG1 VAL 5 10.742 6.566 -5.524 47 1HG2 VAL 5 1HG2 VAL 5 13.569 8.702 -3.788 48 2HG2 VAL 5 2HG2 VAL 5 12.070 7.928 -3.273 49 3HG2 VAL 5 3HG2 VAL 5 13.559 6.988 -3.368 50 H GLY 6 H GLY 6 14.680 5.034 -7.392 51 1HA GLY 6 2HA GLY 6 17.162 5.730 -5.955 52 2HA GLY 6 3HA GLY 6 16.999 4.388 -7.078 53 H ASN 7 H ASN 7 19.014 5.496 -7.894 54 HA ASN 7 HA ASN 7 20.051 6.599 -9.593 55 1HB ASN 7 2HB ASN 7 17.247 6.425 -10.486 56 2HB ASN 7 3HB ASN 7 18.185 7.707 -11.247 57 1HD2 ASN 7 1HD2 ASN 7 18.323 4.262 -10.456 58 2HD2 ASN 7 2HD2 ASN 7 19.190 3.793 -11.875 59 H LEU 8 H LEU 8 20.620 8.096 -7.824 60 HA LEU 8 HA LEU 8 19.263 10.694 -8.013 61 1HB LEU 8 2HB LEU 8 21.351 9.986 -5.984 62 2HB LEU 8 3HB LEU 8 20.097 11.220 -5.894 63 HG LEU 8 HG LEU 8 19.622 8.243 -5.747 64 1HD1 LEU 8 1HD1 LEU 8 19.717 10.354 -3.600 65 2HD1 LEU 8 2HD1 LEU 8 20.783 8.962 -3.775 66 3HD1 LEU 8 3HD1 LEU 8 19.083 8.724 -3.372 67 1HD2 LEU 8 1HD2 LEU 8 17.569 10.068 -4.770 68 2HD2 LEU 8 2HD2 LEU 8 17.426 8.650 -5.808 69 3HD2 LEU 8 3HD2 LEU 8 17.866 10.211 -6.502 70 H GLY 9 H GLY 9 21.305 12.329 -7.088 71 1HA GLY 9 2HA GLY 9 23.793 12.088 -8.302 72 2HA GLY 9 3HA GLY 9 22.732 12.833 -9.488 73 H THR 10 H THR 10 23.457 13.163 -6.011 74 HA THR 10 HA THR 10 23.405 15.061 -4.693 75 HB THR 10 HB THR 10 25.709 15.029 -5.285 76 HG1 THR 10 HG1 THR 10 25.100 16.988 -4.332 77 1HG2 THR 10 1HG2 THR 10 24.895 16.358 -7.872 78 2HG2 THR 10 2HG2 THR 10 25.520 14.720 -7.683 79 3HG2 THR 10 3HG2 THR 10 26.558 16.105 -7.346 80 H GLY 11 H GLY 11 21.096 15.394 -5.566 81 1HA GLY 11 2HA GLY 11 20.461 18.024 -5.745 82 2HA GLY 11 3HA GLY 11 20.754 17.580 -7.420 83 H ALA 12 H ALA 12 19.745 14.795 -6.740 84 HA ALA 12 HA ALA 12 16.874 15.425 -6.575 85 1HB ALA 12 1HB ALA 12 16.763 13.345 -8.227 86 2HB ALA 12 2HB ALA 12 16.921 15.004 -8.807 87 3HB ALA 12 3HB ALA 12 18.345 13.970 -8.696 88 H GLY 13 H GLY 13 16.345 14.608 -4.629 89 1HA GLY 13 2HA GLY 13 16.435 11.754 -4.269 90 2HA GLY 13 3HA GLY 13 17.502 12.618 -3.173 91 H LYS 14 H LYS 14 16.651 13.006 -1.253 92 HA LYS 14 HA LYS 14 14.057 12.475 -0.488 93 1HB LYS 14 2HB LYS 14 16.324 13.228 0.814 94 2HB LYS 14 3HB LYS 14 15.350 14.683 0.983 95 1HG LYS 14 2HG LYS 14 13.514 13.231 1.886 96 2HG LYS 14 3HG LYS 14 14.678 11.904 1.912 97 1HD LYS 14 2HD LYS 14 16.044 13.012 3.498 98 2HD LYS 14 3HD LYS 14 15.179 14.536 3.283 99 1HE LYS 14 2HE LYS 14 13.477 12.299 4.098 100 2HE LYS 14 3HE LYS 14 14.720 12.719 5.275 101 1HZ LYS 14 1HZ LYS 14 12.341 14.146 4.545 102 2HZ LYS 14 2HZ LYS 14 13.719 15.127 4.527 103 3HZ LYS 14 3HZ LYS 14 13.299 14.284 5.932 104 H GLY 15 H GLY 15 15.456 15.648 -1.307 105 1HA GLY 15 2HA GLY 15 13.080 17.124 -0.942 106 2HA GLY 15 3HA GLY 15 14.463 17.631 -1.900 107 H GLU 16 H GLU 16 14.529 15.757 -3.890 108 HA GLU 16 HA GLU 16 12.604 16.708 -5.686 109 1HB GLU 16 2HB GLU 16 14.741 14.702 -5.711 110 2HB GLU 16 3HB GLU 16 13.406 14.320 -6.789 111 1HG GLU 16 2HG GLU 16 15.013 16.865 -6.784 112 2HG GLU 16 3HG GLU 16 15.138 15.551 -7.952 113 H LEU 17 H LEU 17 12.874 13.420 -4.321 114 HA LEU 17 HA LEU 17 10.442 12.460 -5.281 115 1HB LEU 17 2HB LEU 17 10.752 10.626 -3.904 116 2HB LEU 17 3HB LEU 17 12.392 11.218 -4.159 117 HG LEU 17 HG LEU 17 11.897 12.485 -1.885 118 1HD1 LEU 17 1HD1 LEU 17 9.647 10.748 -2.161 119 2HD1 LEU 17 2HD1 LEU 17 10.021 11.888 -0.869 120 3HD1 LEU 17 3HD1 LEU 17 10.618 10.231 -0.783 121 1HD2 LEU 17 1HD2 LEU 17 13.048 10.720 -0.736 122 2HD2 LEU 17 2HD2 LEU 17 13.695 10.841 -2.373 123 3HD2 LEU 17 3HD2 LEU 17 12.567 9.547 -1.963 124 H GLU 18 H GLU 18 11.186 14.307 -2.387 125 HA GLU 18 HA GLU 18 8.774 13.986 -1.013 126 1HB GLU 18 2HB GLU 18 10.627 14.989 0.112 127 2HB GLU 18 3HB GLU 18 10.737 16.274 -1.083 128 1HG GLU 18 2HG GLU 18 8.179 16.046 0.369 129 2HG GLU 18 3HG GLU 18 9.577 16.575 1.304 130 H ARG 19 H ARG 19 9.745 16.689 -3.132 131 HA ARG 19 HA ARG 19 7.303 18.018 -3.155 132 1HB ARG 19 2HB ARG 19 9.702 18.563 -4.200 133 2HB ARG 19 3HB ARG 19 8.902 18.000 -5.662 134 1HG ARG 19 2HG ARG 19 8.070 20.289 -3.897 135 2HG ARG 19 3HG ARG 19 8.692 20.374 -5.546 136 1HD ARG 19 2HD ARG 19 6.471 20.542 -6.001 137 2HD ARG 19 3HD ARG 19 6.616 18.785 -6.001 138 HE ARG 19 HE ARG 19 5.240 18.737 -4.187 139 1HH1 ARG 19 1HH1 ARG 19 6.673 21.903 -4.402 140 2HH1 ARG 19 2HH1 ARG 19 5.754 22.552 -3.085 141 1HH2 ARG 19 1HH2 ARG 19 4.023 19.580 -2.451 142 2HH2 ARG 19 2HH2 ARG 19 4.248 21.229 -1.975 143 H ALA 20 H ALA 20 8.528 15.548 -5.398 144 HA ALA 20 HA ALA 20 6.297 15.496 -7.102 145 1HB ALA 20 1HB ALA 20 7.527 12.901 -6.872 146 2HB ALA 20 2HB ALA 20 7.543 14.037 -8.221 147 3HB ALA 20 3HB ALA 20 8.747 14.174 -6.940 148 H PHE 21 H PHE 21 7.170 13.018 -4.685 149 HA PHE 21 HA PHE 21 4.836 11.589 -4.679 150 1HB PHE 21 2HB PHE 21 6.867 12.154 -2.552 151 2HB PHE 21 3HB PHE 21 5.413 11.253 -2.137 152 HD1 PHE 21 HD1 PHE 21 5.943 9.034 -1.892 153 HD2 PHE 21 HD2 PHE 21 7.632 11.213 -5.134 154 HE1 PHE 21 HE1 PHE 21 6.982 6.969 -2.734 155 HE2 PHE 21 HE2 PHE 21 8.673 9.152 -5.982 156 HZ PHE 21 HZ PHE 21 8.348 7.025 -4.782 157 H SER 22 H SER 22 5.582 14.407 -2.642 158 HA SER 22 HA SER 22 3.187 14.518 -1.230 159 1HB SER 22 2HB SER 22 5.019 15.887 -0.521 160 2HB SER 22 3HB SER 22 5.081 16.717 -2.075 161 HG SER 22 HG SER 22 3.745 17.449 0.049 162 H TYR 23 H TYR 23 4.039 15.907 -4.369 163 HA TYR 23 HA TYR 23 1.699 17.394 -4.783 164 1HB TYR 23 2HB TYR 23 4.023 16.706 -6.274 165 2HB TYR 23 3HB TYR 23 2.621 16.358 -7.280 166 HD1 TYR 23 HD1 TYR 23 3.273 19.066 -4.790 167 HD2 TYR 23 HD2 TYR 23 2.418 18.059 -8.834 168 HE1 TYR 23 HE1 TYR 23 3.081 21.456 -5.338 169 HE2 TYR 23 HE2 TYR 23 2.224 20.446 -9.394 170 HH TYR 23 HH TYR 23 3.381 22.861 -7.577 171 H TYR 24 H TYR 24 2.481 14.026 -5.517 172 HA TYR 24 HA TYR 24 -0.004 13.504 -6.839 173 1HB TYR 24 2HB TYR 24 2.267 11.798 -5.864 174 2HB TYR 24 3HB TYR 24 0.770 11.056 -6.419 175 HD1 TYR 24 HD1 TYR 24 0.716 10.378 -8.617 176 HD2 TYR 24 HD2 TYR 24 3.164 13.695 -7.565 177 HE1 TYR 24 HE1 TYR 24 1.497 10.532 -10.944 178 HE2 TYR 24 HE2 TYR 24 3.950 13.859 -9.890 179 HH TYR 24 HH TYR 24 3.442 13.205 -12.056 180 H GLY 25 H GLY 25 1.224 13.164 -3.566 181 1HA GLY 25 2HA GLY 25 -1.201 13.319 -2.277 182 2HA GLY 25 3HA GLY 25 -0.973 11.607 -2.603 183 HA PRO 26 HA PRO 26 1.388 13.174 1.256 184 1HB PRO 26 2HB PRO 26 -0.378 12.454 3.188 185 2HB PRO 26 3HB PRO 26 -0.372 14.056 2.441 186 1HG PRO 26 2HG PRO 26 -2.120 11.697 1.852 187 2HG PRO 26 3HG PRO 26 -2.561 13.409 1.996 188 1HD PRO 26 2HD PRO 26 -2.230 12.186 -0.397 189 2HD PRO 26 3HD PRO 26 -1.851 13.901 -0.141 190 H LEU 27 H LEU 27 2.895 11.656 1.535 191 HA LEU 27 HA LEU 27 2.185 8.842 1.548 192 1HB LEU 27 2HB LEU 27 4.737 8.632 1.851 193 2HB LEU 27 3HB LEU 27 4.098 9.186 0.305 194 HG LEU 27 HG LEU 27 4.650 11.494 0.904 195 1HD1 LEU 27 1HD1 LEU 27 5.605 10.224 3.454 196 2HD1 LEU 27 2HD1 LEU 27 4.450 11.540 3.250 197 3HD1 LEU 27 3HD1 LEU 27 6.160 11.808 2.911 198 1HD2 LEU 27 1HD2 LEU 27 6.339 9.607 0.010 199 2HD2 LEU 27 2HD2 LEU 27 7.195 10.111 1.467 200 3HD2 LEU 27 3HD2 LEU 27 6.795 11.297 0.225 201 H ARG 28 H ARG 28 3.745 7.564 3.202 202 HA ARG 28 HA ARG 28 2.828 8.427 5.833 203 1HB ARG 28 2HB ARG 28 2.417 6.099 5.067 204 2HB ARG 28 3HB ARG 28 4.155 5.838 5.014 205 1HG ARG 28 2HG ARG 28 3.197 4.906 7.037 206 2HG ARG 28 3HG ARG 28 4.292 6.237 7.419 207 1HD ARG 28 2HD ARG 28 1.535 7.094 7.017 208 2HD ARG 28 3HD ARG 28 1.715 5.943 8.340 209 HE ARG 28 HE ARG 28 3.653 8.041 8.445 210 1HH1 ARG 28 1HH1 ARG 28 0.362 7.200 9.209 211 2HH1 ARG 28 2HH1 ARG 28 0.224 8.362 10.487 212 1HH2 ARG 28 1HH2 ARG 28 3.484 9.574 10.125 213 2HH2 ARG 28 2HH2 ARG 28 2.001 9.712 11.006 214 H THR 29 H THR 29 5.849 7.141 4.436 215 HA THR 29 HA THR 29 7.374 9.035 6.046 216 HB THR 29 HB THR 29 7.210 7.018 7.460 217 HG1 THR 29 HG1 THR 29 9.360 7.024 7.937 218 1HG2 THR 29 1HG2 THR 29 8.507 5.679 5.088 219 2HG2 THR 29 2HG2 THR 29 6.960 5.281 5.834 220 3HG2 THR 29 3HG2 THR 29 8.463 4.979 6.705 221 H VAL 30 H VAL 30 9.725 8.980 5.463 222 HA VAL 30 HA VAL 30 10.372 7.817 2.886 223 HB VAL 30 HB VAL 30 9.382 9.811 2.065 224 1HG1 VAL 30 1HG1 VAL 30 10.329 12.061 2.927 225 2HG1 VAL 30 2HG1 VAL 30 9.108 11.222 3.886 226 3HG1 VAL 30 3HG1 VAL 30 10.809 11.127 4.343 227 1HG2 VAL 30 1HG2 VAL 30 12.349 10.326 2.228 228 2HG2 VAL 30 2HG2 VAL 30 11.580 9.206 1.104 229 3HG2 VAL 30 3HG2 VAL 30 11.238 10.933 1.000 230 H TRP 31 H TRP 31 12.542 7.526 2.588 231 HA TRP 31 HA TRP 31 14.465 8.893 4.264 232 1HB TRP 31 2HB TRP 31 15.426 6.594 4.968 233 2HB TRP 31 3HB TRP 31 14.033 7.225 5.842 234 HD1 TRP 31 HD1 TRP 31 11.586 6.139 5.090 235 HE1 TRP 31 HE1 TRP 31 11.046 3.732 4.355 236 HE3 TRP 31 HE3 TRP 31 16.294 4.602 3.822 237 HZ2 TRP 31 HZ2 TRP 31 12.433 1.480 3.369 238 HZ3 TRP 31 HZ3 TRP 31 16.602 2.307 2.991 239 HH2 TRP 31 HH2 TRP 31 14.710 0.779 2.771 240 H ILE 32 H ILE 32 16.542 8.839 3.444 241 HA ILE 32 HA ILE 32 16.796 7.596 0.789 242 HB ILE 32 HB ILE 32 18.592 9.773 1.817 243 1HG1 ILE 32 2HG1 ILE 32 16.324 10.631 2.048 244 2HG1 ILE 32 3HG1 ILE 32 17.118 11.405 0.680 245 1HG2 ILE 32 1HG2 ILE 32 19.567 9.386 -0.142 246 2HG2 ILE 32 2HG2 ILE 32 18.273 8.295 -0.637 247 3HG2 ILE 32 3HG2 ILE 32 18.120 10.030 -0.917 248 1HD1 ILE 32 1HD1 ILE 32 15.229 9.080 0.436 249 2HD1 ILE 32 2HD1 ILE 32 14.758 10.772 0.270 250 3HD1 ILE 32 3HD1 ILE 32 15.900 10.058 -0.868 251 H ALA 33 H ALA 33 18.811 6.642 0.192 252 HA ALA 33 HA ALA 33 20.257 5.528 2.497 253 1HB ALA 33 1HB ALA 33 19.035 4.024 0.823 254 2HB ALA 33 2HB ALA 33 20.352 4.411 -0.285 255 3HB ALA 33 3HB ALA 33 20.696 3.605 1.245 256 H ARG 34 H ARG 34 21.994 6.763 2.902 257 HA ARG 34 HA ARG 34 23.447 8.129 0.849 258 1HB ARG 34 2HB ARG 34 23.221 8.969 3.187 259 2HB ARG 34 3HB ARG 34 24.247 7.645 3.723 260 1HG ARG 34 2HG ARG 34 26.112 8.700 3.113 261 2HG ARG 34 3HG ARG 34 25.428 9.203 1.567 262 1HD ARG 34 2HD ARG 34 24.041 10.813 3.184 263 2HD ARG 34 3HD ARG 34 25.486 10.608 4.174 264 HE ARG 34 HE ARG 34 25.256 12.111 1.749 265 1HH1 ARG 34 1HH1 ARG 34 27.442 10.297 3.762 266 2HH1 ARG 34 2HH1 ARG 34 28.856 11.121 3.193 267 1HH2 ARG 34 1HH2 ARG 34 27.111 13.204 0.993 268 2HH2 ARG 34 2HH2 ARG 34 28.667 12.775 1.619 269 H ASN 35 H ASN 35 23.726 5.071 2.482 270 HA ASN 35 HA ASN 35 26.371 4.413 2.164 271 1HB ASN 35 2HB ASN 35 23.917 2.998 2.597 272 2HB ASN 35 3HB ASN 35 24.892 2.106 1.433 273 1HD2 ASN 35 1HD2 ASN 35 25.552 0.452 2.674 274 2HD2 ASN 35 2HD2 ASN 35 26.518 0.621 4.097 275 HA PRO 36 HA PRO 36 25.546 2.825 -2.319 276 1HB PRO 36 2HB PRO 36 23.138 3.404 -3.431 277 2HB PRO 36 3HB PRO 36 23.433 1.938 -2.490 278 1HG PRO 36 2HG PRO 36 22.145 4.504 -1.644 279 2HG PRO 36 3HG PRO 36 21.654 2.836 -1.292 280 1HD PRO 36 2HD PRO 36 22.995 4.367 0.494 281 2HD PRO 36 3HD PRO 36 23.198 2.606 0.404 282 HA PRO 37 HA PRO 37 26.484 6.552 -4.454 283 1HB PRO 37 2HB PRO 37 25.940 5.936 -7.042 284 2HB PRO 37 3HB PRO 37 27.323 5.270 -6.166 285 1HG PRO 37 2HG PRO 37 24.655 4.030 -6.720 286 2HG PRO 37 3HG PRO 37 26.269 3.302 -6.819 287 1HD PRO 37 2HD PRO 37 24.620 2.910 -4.707 288 2HD PRO 37 3HD PRO 37 26.388 2.953 -4.543 289 H GLY 38 H GLY 38 23.322 5.162 -5.220 290 1HA GLY 38 2HA GLY 38 22.010 7.669 -4.868 291 2HA GLY 38 3HA GLY 38 22.136 7.256 -6.572 292 H PHE 39 H PHE 39 20.886 6.166 -3.458 293 HA PHE 39 HA PHE 39 18.627 4.952 -4.840 294 1HB PHE 39 2HB PHE 39 20.543 3.453 -3.069 295 2HB PHE 39 3HB PHE 39 18.873 2.928 -3.259 296 HD1 PHE 39 HD1 PHE 39 18.357 3.407 -6.079 297 HD2 PHE 39 HD2 PHE 39 21.846 1.898 -4.165 298 HE1 PHE 39 HE1 PHE 39 18.968 2.211 -8.142 299 HE2 PHE 39 HE2 PHE 39 22.463 0.701 -6.224 300 HZ PHE 39 HZ PHE 39 21.023 0.857 -8.216 301 H ALA 40 H ALA 40 16.791 5.475 -3.855 302 HA ALA 40 HA ALA 40 16.848 6.069 -0.973 303 1HB ALA 40 1HB ALA 40 16.276 7.889 -3.129 304 2HB ALA 40 2HB ALA 40 14.883 7.727 -2.060 305 3HB ALA 40 3HB ALA 40 16.446 8.211 -1.403 306 H PHE 41 H PHE 41 14.810 5.823 0.117 307 HA PHE 41 HA PHE 41 12.866 4.157 -1.336 308 1HB PHE 41 2HB PHE 41 14.068 3.691 1.390 309 2HB PHE 41 3HB PHE 41 12.558 2.936 0.889 310 HD1 PHE 41 HD1 PHE 41 16.167 3.171 0.173 311 HD2 PHE 41 HD2 PHE 41 12.540 1.068 -0.557 312 HE1 PHE 41 HE1 PHE 41 17.437 1.363 -0.910 313 HE2 PHE 41 HE2 PHE 41 13.804 -0.744 -1.639 314 HZ PHE 41 HZ PHE 41 16.256 -0.598 -1.817 315 H VAL 42 H VAL 42 10.709 4.389 -0.756 316 HA VAL 42 HA VAL 42 10.054 6.399 1.273 317 HB VAL 42 HB VAL 42 8.756 6.469 -1.444 318 1HG1 VAL 42 1HG1 VAL 42 7.318 7.676 -0.204 319 2HG1 VAL 42 2HG1 VAL 42 8.496 7.951 1.081 320 3HG1 VAL 42 3HG1 VAL 42 8.530 8.946 -0.375 321 1HG2 VAL 42 1HG2 VAL 42 11.114 8.056 -0.444 322 2HG2 VAL 42 2HG2 VAL 42 11.058 6.986 -1.845 323 3HG2 VAL 42 3HG2 VAL 42 10.154 8.500 -1.855 324 H GLU 43 H GLU 43 7.921 6.264 2.093 325 HA GLU 43 HA GLU 43 6.495 3.783 1.390 326 1HB GLU 43 2HB GLU 43 7.763 4.305 3.802 327 2HB GLU 43 3HB GLU 43 6.076 4.674 4.132 328 1HG GLU 43 2HG GLU 43 5.901 2.494 4.565 329 2HG GLU 43 3HG GLU 43 5.851 2.314 2.812 330 H PHE 44 H PHE 44 4.530 4.162 0.635 331 HA PHE 44 HA PHE 44 3.249 6.729 1.204 332 1HB PHE 44 2HB PHE 44 3.393 5.033 -1.088 333 2HB PHE 44 3HB PHE 44 1.705 5.172 -0.609 334 HD1 PHE 44 HD1 PHE 44 0.999 7.674 0.018 335 HD2 PHE 44 HD2 PHE 44 4.192 6.577 -2.574 336 HE1 PHE 44 HE1 PHE 44 0.872 9.879 -1.066 337 HE2 PHE 44 HE2 PHE 44 4.071 8.781 -3.662 338 HZ PHE 44 HZ PHE 44 2.410 10.435 -2.908 339 H GLU 45 H GLU 45 1.710 6.875 2.686 340 HA GLU 45 HA GLU 45 0.802 4.821 4.281 341 1HB GLU 45 2HB GLU 45 0.535 7.422 4.472 342 2HB GLU 45 3HB GLU 45 -1.008 7.129 3.683 343 1HG GLU 45 2HG GLU 45 -1.622 5.581 5.482 344 2HG GLU 45 3HG GLU 45 -0.086 5.917 6.279 345 H ASP 46 H ASP 46 -0.433 5.918 1.195 346 HA ASP 46 HA ASP 46 -2.523 3.847 1.323 347 1HB ASP 46 2HB ASP 46 -2.690 6.565 0.605 348 2HB ASP 46 3HB ASP 46 -2.848 5.658 -0.897 349 HA PRO 47 HA PRO 47 -0.410 1.562 -1.786 350 1HB PRO 47 2HB PRO 47 -2.508 0.190 -2.829 351 2HB PRO 47 3HB PRO 47 -1.809 -0.179 -1.248 352 1HG PRO 47 2HG PRO 47 -4.258 1.410 -1.911 353 2HG PRO 47 3HG PRO 47 -4.019 0.203 -0.634 354 1HD PRO 47 2HD PRO 47 -3.937 2.867 -0.155 355 2HD PRO 47 3HD PRO 47 -2.956 1.702 0.757 356 H ARG 48 H ARG 48 -3.531 2.914 -2.875 357 HA ARG 48 HA ARG 48 -2.931 2.953 -5.609 358 1HB ARG 48 2HB ARG 48 -5.206 3.199 -4.864 359 2HB ARG 48 3HB ARG 48 -4.808 4.666 -3.978 360 1HG ARG 48 2HG ARG 48 -4.786 5.960 -5.851 361 2HG ARG 48 3HG ARG 48 -4.298 4.628 -6.900 362 1HD ARG 48 2HD ARG 48 -6.620 5.395 -7.298 363 2HD ARG 48 3HD ARG 48 -6.512 3.697 -6.838 364 HE ARG 48 HE ARG 48 -6.927 5.088 -4.497 365 1HH1 ARG 48 1HH1 ARG 48 -8.601 4.657 -7.519 366 2HH1 ARG 48 2HH1 ARG 48 -10.175 4.863 -6.827 367 1HH2 ARG 48 1HH2 ARG 48 -8.995 5.361 -3.573 368 2HH2 ARG 48 2HH2 ARG 48 -10.398 5.265 -4.582 369 H ASP 49 H ASP 49 -2.248 5.254 -3.049 370 HA ASP 49 HA ASP 49 -1.451 7.403 -4.714 371 1HB ASP 49 2HB ASP 49 -0.578 6.805 -1.879 372 2HB ASP 49 3HB ASP 49 -0.471 8.361 -2.698 373 H ALA 50 H ALA 50 0.240 4.643 -3.350 374 HA ALA 50 HA ALA 50 2.859 5.533 -4.039 375 1HB ALA 50 1HB ALA 50 2.773 2.695 -3.887 376 2HB ALA 50 2HB ALA 50 3.413 3.845 -2.712 377 3HB ALA 50 3HB ALA 50 1.721 3.353 -2.634 378 H GLU 51 H GLU 51 0.561 3.272 -5.535 379 HA GLU 51 HA GLU 51 2.190 2.483 -7.677 380 1HB GLU 51 2HB GLU 51 -0.373 1.895 -6.790 381 2HB GLU 51 3HB GLU 51 -0.639 2.637 -8.362 382 1HG GLU 51 2HG GLU 51 0.905 1.030 -9.374 383 2HG GLU 51 3HG GLU 51 1.141 0.276 -7.799 384 H ASP 52 H ASP 52 -0.257 5.053 -7.469 385 HA ASP 52 HA ASP 52 0.074 5.966 -10.127 386 1HB ASP 52 2HB ASP 52 -1.053 7.283 -7.655 387 2HB ASP 52 3HB ASP 52 -1.050 8.061 -9.236 388 H ALA 53 H ALA 53 1.506 6.958 -7.048 389 HA ALA 53 HA ALA 53 2.860 9.235 -7.885 390 1HB ALA 53 1HB ALA 53 2.954 9.001 -5.618 391 2HB ALA 53 2HB ALA 53 3.252 7.264 -5.696 392 3HB ALA 53 3HB ALA 53 4.557 8.399 -6.039 393 H VAL 54 H VAL 54 4.005 5.864 -7.841 394 HA VAL 54 HA VAL 54 6.544 6.414 -8.953 395 HB VAL 54 HB VAL 54 4.958 3.842 -9.001 396 1HG1 VAL 54 1HG1 VAL 54 6.572 2.971 -10.249 397 2HG1 VAL 54 2HG1 VAL 54 7.377 4.540 -10.318 398 3HG1 VAL 54 3HG1 VAL 54 7.760 3.407 -9.021 399 1HG2 VAL 54 1HG2 VAL 54 7.032 3.583 -7.201 400 2HG2 VAL 54 2HG2 VAL 54 6.458 5.228 -6.929 401 3HG2 VAL 54 3HG2 VAL 54 5.339 3.871 -6.800 402 H ARG 55 H ARG 55 3.528 5.228 -10.421 403 HA ARG 55 HA ARG 55 4.356 4.849 -13.012 404 1HB ARG 55 2HB ARG 55 1.785 5.571 -11.731 405 2HB ARG 55 3HB ARG 55 1.899 5.867 -13.460 406 1HG ARG 55 2HG ARG 55 2.279 3.591 -13.930 407 2HG ARG 55 3HG ARG 55 2.592 3.217 -12.234 408 1HD ARG 55 2HD ARG 55 0.323 3.473 -11.653 409 2HD ARG 55 3HD ARG 55 -0.057 4.271 -13.179 410 HE ARG 55 HE ARG 55 0.876 1.704 -13.753 411 1HH1 ARG 55 1HH1 ARG 55 -1.838 3.238 -12.204 412 2HH1 ARG 55 2HH1 ARG 55 -2.943 1.958 -12.580 413 1HH2 ARG 55 1HH2 ARG 55 -0.569 0.012 -14.254 414 2HH2 ARG 55 2HH2 ARG 55 -2.220 0.123 -13.745 415 H GLY 56 H GLY 56 3.307 7.890 -11.504 416 1HA GLY 56 2HA GLY 56 3.740 9.412 -13.910 417 2HA GLY 56 3HA GLY 56 3.345 10.056 -12.323 418 H LEU 57 H LEU 57 5.409 9.163 -10.778 419 HA LEU 57 HA LEU 57 7.391 11.029 -11.145 420 1HB LEU 57 2HB LEU 57 7.168 8.503 -9.622 421 2HB LEU 57 3HB LEU 57 8.790 9.157 -9.839 422 HG LEU 57 HG LEU 57 7.335 9.744 -7.723 423 1HD1 LEU 57 1HD1 LEU 57 8.710 12.078 -8.958 424 2HD1 LEU 57 2HD1 LEU 57 9.639 10.616 -8.626 425 3HD1 LEU 57 3HD1 LEU 57 8.806 11.449 -7.313 426 1HD2 LEU 57 1HD2 LEU 57 5.911 11.554 -7.895 427 2HD2 LEU 57 2HD2 LEU 57 5.547 10.664 -9.373 428 3HD2 LEU 57 3HD2 LEU 57 6.595 12.082 -9.432 429 H ASP 58 H ASP 58 7.498 7.601 -12.095 430 HA ASP 58 HA ASP 58 9.984 8.014 -13.532 431 1HB ASP 58 2HB ASP 58 10.176 5.723 -13.623 432 2HB ASP 58 3HB ASP 58 9.160 5.886 -12.193 433 H GLY 59 H GLY 59 6.589 7.889 -14.185 434 1HA GLY 59 2HA GLY 59 6.789 7.299 -16.976 435 2HA GLY 59 3HA GLY 59 5.378 7.939 -16.146 436 H LYS 60 H LYS 60 7.362 10.115 -15.141 437 HA LYS 60 HA LYS 60 7.960 11.625 -17.506 438 1HB LYS 60 2HB LYS 60 5.356 11.862 -16.451 439 2HB LYS 60 3HB LYS 60 6.212 13.321 -15.971 440 1HG LYS 60 2HG LYS 60 5.935 12.278 -18.782 441 2HG LYS 60 3HG LYS 60 5.056 13.639 -18.081 442 1HD LYS 60 2HD LYS 60 8.056 13.488 -18.369 443 2HD LYS 60 3HD LYS 60 6.978 14.333 -19.483 444 1HE LYS 60 2HE LYS 60 6.338 15.203 -16.872 445 2HE LYS 60 3HE LYS 60 8.094 15.244 -17.016 446 1HZ LYS 60 1HZ LYS 60 6.592 16.329 -19.257 447 2HZ LYS 60 2HZ LYS 60 8.021 16.883 -18.541 448 3HZ LYS 60 3HZ LYS 60 6.528 17.221 -17.821 449 H VAL 61 H VAL 61 9.683 12.840 -17.082 450 HA VAL 61 HA VAL 61 11.045 12.904 -14.709 451 HB VAL 61 HB VAL 61 11.026 15.058 -16.828 452 1HG1 VAL 61 1HG1 VAL 61 12.240 16.194 -15.324 453 2HG1 VAL 61 2HG1 VAL 61 12.514 14.767 -14.323 454 3HG1 VAL 61 3HG1 VAL 61 13.524 15.060 -15.739 455 1HG2 VAL 61 1HG2 VAL 61 13.304 13.715 -17.234 456 2HG2 VAL 61 2HG2 VAL 61 12.313 12.404 -16.594 457 3HG2 VAL 61 3HG2 VAL 61 11.787 13.289 -18.026 458 H ILE 62 H ILE 62 11.172 14.240 -12.938 459 HA ILE 62 HA ILE 62 8.962 16.165 -12.625 460 HB ILE 62 HB ILE 62 8.636 14.332 -11.111 461 1HG1 ILE 62 2HG1 ILE 62 8.698 15.497 -8.953 462 2HG1 ILE 62 3HG1 ILE 62 9.830 16.674 -9.611 463 1HG2 ILE 62 1HG2 ILE 62 10.879 14.508 -9.378 464 2HG2 ILE 62 2HG2 ILE 62 10.333 13.134 -10.337 465 3HG2 ILE 62 3HG2 ILE 62 11.468 14.294 -11.026 466 1HD1 ILE 62 1HD1 ILE 62 8.140 17.459 -11.161 467 2HD1 ILE 62 2HD1 ILE 62 7.006 16.251 -10.556 468 3HD1 ILE 62 3HD1 ILE 62 7.558 17.549 -9.499 469 H CYS 63 H CYS 63 9.647 18.193 -12.692 470 HA CYS 63 HA CYS 63 10.988 20.033 -12.550 471 1HB CYS 63 2HB CYS 63 10.395 19.361 -10.098 472 2HB CYS 63 3HB CYS 63 12.093 18.913 -9.995 473 HG CYS 63 HG CYS 63 10.683 21.930 -9.937 474 H GLY 64 H GLY 64 12.127 18.346 -14.263 475 1HA GLY 64 2HA GLY 64 14.127 17.900 -15.300 476 2HA GLY 64 3HA GLY 64 14.860 19.040 -14.181 477 H SER 65 H SER 65 13.145 16.232 -13.038 478 HA SER 65 HA SER 65 15.718 14.962 -12.373 479 1HB SER 65 2HB SER 65 14.566 16.111 -10.419 480 2HB SER 65 3HB SER 65 13.290 14.903 -10.576 481 HG SER 65 HG SER 65 14.605 13.914 -9.212 482 H ARG 66 H ARG 66 15.662 13.412 -13.950 483 HA ARG 66 HA ARG 66 13.283 11.789 -14.315 484 1HB ARG 66 2HB ARG 66 14.542 10.715 -16.119 485 2HB ARG 66 3HB ARG 66 14.576 12.466 -16.280 486 1HG ARG 66 2HG ARG 66 16.824 11.522 -14.739 487 2HG ARG 66 3HG ARG 66 16.745 10.732 -16.315 488 1HD ARG 66 2HD ARG 66 17.093 12.672 -17.460 489 2HD ARG 66 3HD ARG 66 16.314 13.665 -16.229 490 HE ARG 66 HE ARG 66 18.597 12.760 -15.037 491 1HH1 ARG 66 1HH1 ARG 66 17.866 14.514 -17.953 492 2HH1 ARG 66 2HH1 ARG 66 19.362 15.387 -17.959 493 1HH2 ARG 66 1HH2 ARG 66 20.571 13.903 -15.032 494 2HH2 ARG 66 2HH2 ARG 66 20.900 15.039 -16.297 495 H VAL 67 H VAL 67 14.076 11.460 -11.772 496 HA VAL 67 HA VAL 67 15.966 9.443 -11.270 497 HB VAL 67 HB VAL 67 14.692 9.096 -9.124 498 1HG1 VAL 67 1HG1 VAL 67 14.959 11.792 -8.684 499 2HG1 VAL 67 2HG1 VAL 67 16.257 10.601 -8.589 500 3HG1 VAL 67 3HG1 VAL 67 16.008 11.518 -10.075 501 1HG2 VAL 67 1HG2 VAL 67 12.694 10.056 -8.709 502 2HG2 VAL 67 2HG2 VAL 67 13.084 11.514 -9.622 503 3HG2 VAL 67 3HG2 VAL 67 12.556 10.059 -10.467 504 H ARG 68 H ARG 68 15.474 7.253 -10.430 505 HA ARG 68 HA ARG 68 13.379 5.993 -12.067 506 1HB ARG 68 2HB ARG 68 16.110 5.423 -11.840 507 2HB ARG 68 3HB ARG 68 15.302 4.143 -10.945 508 1HG ARG 68 2HG ARG 68 14.645 4.922 -13.778 509 2HG ARG 68 3HG ARG 68 15.711 3.593 -13.318 510 1HD ARG 68 2HD ARG 68 12.954 3.721 -12.185 511 2HD ARG 68 3HD ARG 68 13.180 3.160 -13.841 512 HE ARG 68 HE ARG 68 13.781 1.727 -11.452 513 1HH1 ARG 68 1HH1 ARG 68 14.770 2.196 -14.757 514 2HH1 ARG 68 2HH1 ARG 68 15.478 0.622 -14.905 515 1HH2 ARG 68 1HH2 ARG 68 14.710 -0.348 -11.635 516 2HH2 ARG 68 2HH2 ARG 68 15.442 -0.825 -13.129 517 H VAL 69 H VAL 69 11.606 5.782 -10.835 518 HA VAL 69 HA VAL 69 11.923 4.748 -8.096 519 HB VAL 69 HB VAL 69 10.757 6.849 -8.102 520 1HG1 VAL 69 1HG1 VAL 69 9.072 5.584 -10.242 521 2HG1 VAL 69 2HG1 VAL 69 8.522 6.984 -9.320 522 3HG1 VAL 69 3HG1 VAL 69 9.981 7.093 -10.305 523 1HG2 VAL 69 1HG2 VAL 69 8.728 4.643 -7.773 524 2HG2 VAL 69 2HG2 VAL 69 9.956 5.063 -6.579 525 3HG2 VAL 69 3HG2 VAL 69 8.703 6.229 -7.003 526 H GLU 70 H GLU 70 10.776 2.962 -7.414 527 HA GLU 70 HA GLU 70 9.076 1.585 -9.358 528 1HB GLU 70 2HB GLU 70 11.727 0.826 -8.893 529 2HB GLU 70 3HB GLU 70 10.764 -0.309 -7.958 530 1HG GLU 70 2HG GLU 70 9.396 -0.631 -10.088 531 2HG GLU 70 3HG GLU 70 10.722 0.188 -10.912 532 H LEU 71 H LEU 71 7.939 -0.304 -8.339 533 HA LEU 71 HA LEU 71 7.228 0.380 -5.568 534 1HB LEU 71 2HB LEU 71 5.594 0.273 -7.700 535 2HB LEU 71 3HB LEU 71 5.476 -1.396 -7.148 536 HG LEU 71 HG LEU 71 4.785 -0.533 -4.911 537 1HD1 LEU 71 1HD1 LEU 71 5.765 1.853 -5.760 538 2HD1 LEU 71 2HD1 LEU 71 4.647 1.648 -4.412 539 3HD1 LEU 71 3HD1 LEU 71 4.033 2.079 -6.008 540 1HD2 LEU 71 1HD2 LEU 71 3.067 0.301 -7.246 541 2HD2 LEU 71 2HD2 LEU 71 2.509 0.032 -5.594 542 3HD2 LEU 71 3HD2 LEU 71 3.144 -1.314 -6.542 543 H SER 72 H SER 72 8.065 -0.930 -4.096 544 HA SER 72 HA SER 72 9.279 -3.396 -4.632 545 1HB SER 72 2HB SER 72 9.199 -1.708 -2.480 546 2HB SER 72 3HB SER 72 8.246 -3.071 -1.894 547 HG SER 72 HG SER 72 10.197 -4.276 -2.917 548 H THR 73 H THR 73 5.986 -2.561 -3.929 549 HA THR 73 HA THR 73 5.211 -5.347 -4.353 550 HB THR 73 HB THR 73 4.087 -3.741 -2.052 551 HG1 THR 73 HG1 THR 73 6.021 -5.834 -2.096 552 1HG2 THR 73 1HG2 THR 73 3.167 -6.048 -3.431 553 2HG2 THR 73 2HG2 THR 73 2.487 -5.289 -1.992 554 3HG2 THR 73 3HG2 THR 73 3.705 -6.554 -1.830 555 H GLY 74 H GLY 74 3.414 -5.560 -5.570 556 1HA GLY 74 2HA GLY 74 1.268 -4.931 -6.357 557 2HA GLY 74 3HA GLY 74 1.586 -3.285 -5.828 558 H MET 75 H MET 75 4.029 -4.968 -7.607 559 HA MET 75 HA MET 75 3.262 -3.537 -10.059 560 1HB MET 75 2HB MET 75 5.659 -3.192 -8.437 561 2HB MET 75 3HB MET 75 6.034 -3.584 -10.110 562 1HG MET 75 2HG MET 75 4.122 -1.397 -9.361 563 2HG MET 75 3HG MET 75 5.858 -1.133 -9.511 564 1HE MET 75 1HE MET 75 2.965 -0.141 -12.114 565 2HE MET 75 2HE MET 75 2.615 -1.843 -12.414 566 3HE MET 75 3HE MET 75 2.642 -1.226 -10.761 567 HA PRO 76 HA PRO 76 3.928 -7.965 -11.066 568 1HB PRO 76 2HB PRO 76 2.019 -8.027 -12.995 569 2HB PRO 76 3HB PRO 76 1.658 -8.247 -11.278 570 1HG PRO 76 2HG PRO 76 1.380 -5.795 -12.973 571 2HG PRO 76 3HG PRO 76 0.266 -6.447 -11.758 572 1HD PRO 76 2HD PRO 76 1.942 -4.385 -11.240 573 2HD PRO 76 3HD PRO 76 1.466 -5.563 -10.000 574 H ARG 77 H ARG 77 5.660 -8.325 -12.295 575 HA ARG 77 HA ARG 77 5.829 -6.978 -14.910 576 1HB ARG 77 2HB ARG 77 7.912 -7.392 -12.805 577 2HB ARG 77 3HB ARG 77 8.399 -7.366 -14.494 578 1HG ARG 77 2HG ARG 77 6.645 -5.155 -13.759 579 2HG ARG 77 3HG ARG 77 8.167 -5.184 -12.866 580 1HD ARG 77 2HD ARG 77 9.100 -5.667 -15.326 581 2HD ARG 77 3HD ARG 77 7.656 -4.748 -15.748 582 HE ARG 77 HE ARG 77 8.954 -3.321 -13.763 583 1HH1 ARG 77 1HH1 ARG 77 9.616 -4.400 -17.006 584 2HH1 ARG 77 2HH1 ARG 77 10.666 -3.072 -17.373 585 1HH2 ARG 77 1HH2 ARG 77 10.335 -1.568 -14.234 586 2HH2 ARG 77 2HH2 ARG 77 11.075 -1.462 -15.796 587 H ARG 78 H ARG 78 7.602 -8.196 -16.287 588 HA ARG 78 HA ARG 78 6.658 -10.937 -16.482 589 1HB ARG 78 2HB ARG 78 7.797 -10.967 -18.641 590 2HB ARG 78 3HB ARG 78 6.763 -9.550 -18.505 591 1HG ARG 78 2HG ARG 78 8.535 -8.408 -19.220 592 2HG ARG 78 3HG ARG 78 9.161 -8.611 -17.583 593 1HD ARG 78 2HD ARG 78 10.853 -9.271 -19.164 594 2HD ARG 78 3HD ARG 78 10.269 -10.699 -18.310 595 HE ARG 78 HE ARG 78 8.749 -10.572 -20.580 596 1HH1 ARG 78 1HH1 ARG 78 12.157 -10.710 -19.882 597 2HH1 ARG 78 2HH1 ARG 78 12.556 -11.548 -21.345 598 1HH2 ARG 78 1HH2 ARG 78 9.261 -11.675 -22.509 599 2HH2 ARG 78 2HH2 ARG 78 10.908 -12.096 -22.839 600 H SER 79 H SER 79 9.193 -9.332 -15.008 601 HA SER 79 HA SER 79 11.330 -11.139 -15.450 602 1HB SER 79 2HB SER 79 11.529 -8.788 -14.543 603 2HB SER 79 3HB SER 79 10.927 -9.406 -13.005 604 HG SER 79 HG SER 79 13.306 -9.307 -13.349 605 H ARG 80 H ARG 80 12.329 -12.436 -13.650 606 HA ARG 80 HA ARG 80 10.357 -14.287 -12.656 607 1HB ARG 80 2HB ARG 80 13.358 -14.254 -12.281 608 2HB ARG 80 3HB ARG 80 12.288 -15.592 -11.886 609 1HG ARG 80 2HG ARG 80 11.776 -15.962 -14.181 610 2HG ARG 80 3HG ARG 80 12.593 -14.474 -14.660 611 1HD ARG 80 2HD ARG 80 14.440 -16.039 -13.187 612 2HD ARG 80 3HD ARG 80 13.671 -17.094 -14.373 613 HE ARG 80 HE ARG 80 15.492 -14.930 -14.896 614 1HH1 ARG 80 1HH1 ARG 80 12.947 -16.915 -16.201 615 2HH1 ARG 80 2HH1 ARG 80 13.420 -16.667 -17.849 616 1HH2 ARG 80 1HH2 ARG 80 16.125 -14.595 -17.062 617 2HH2 ARG 80 2HH2 ARG 80 15.229 -15.348 -18.337 618 H PHE 81 H PHE 81 9.708 -12.043 -11.430 619 HA PHE 81 HA PHE 81 11.039 -11.456 -9.017 620 1HB PHE 81 2HB PHE 81 9.026 -10.233 -8.403 621 2HB PHE 81 3HB PHE 81 9.413 -9.936 -10.094 622 HD1 PHE 81 HD1 PHE 81 7.960 -10.658 -11.846 623 HD2 PHE 81 HD2 PHE 81 7.119 -11.641 -7.791 624 HE1 PHE 81 HE1 PHE 81 5.689 -11.352 -12.489 625 HE2 PHE 81 HE2 PHE 81 4.847 -12.338 -8.428 626 HZ PHE 81 HZ PHE 81 4.130 -12.195 -10.780 627 H ASP 82 H ASP 82 10.908 -12.289 -7.007 628 HA ASP 82 HA ASP 82 9.464 -14.803 -6.703 629 1HB ASP 82 2HB ASP 82 11.964 -14.137 -5.960 630 2HB ASP 82 3HB ASP 82 11.106 -13.734 -4.475 631 H ARG 83 H ARG 83 9.636 -11.590 -5.246 632 HA ARG 83 HA ARG 83 7.745 -12.126 -3.187 633 1HB ARG 83 2HB ARG 83 9.354 -9.900 -4.067 634 2HB ARG 83 3HB ARG 83 7.712 -9.367 -3.729 635 1HG ARG 83 2HG ARG 83 8.812 -11.138 -1.687 636 2HG ARG 83 3HG ARG 83 9.707 -9.631 -1.888 637 1HD ARG 83 2HD ARG 83 7.189 -8.685 -1.915 638 2HD ARG 83 3HD ARG 83 6.969 -10.100 -0.887 639 HE ARG 83 HE ARG 83 9.221 -8.583 -0.064 640 1HH1 ARG 83 1HH1 ARG 83 5.741 -8.625 0.005 641 2HH1 ARG 83 2HH1 ARG 83 5.628 -7.697 1.464 642 1HH2 ARG 83 1HH2 ARG 83 9.086 -7.360 1.857 643 2HH2 ARG 83 2HH2 ARG 83 7.532 -6.977 2.516 644 HA PRO 84 HA PRO 84 4.102 -12.010 -5.723 645 1HB PRO 84 2HB PRO 84 2.311 -12.112 -3.686 646 2HB PRO 84 3HB PRO 84 3.218 -13.524 -4.239 647 1HG PRO 84 2HG PRO 84 3.743 -11.735 -1.897 648 2HG PRO 84 3HG PRO 84 3.829 -13.503 -1.996 649 1HD PRO 84 2HD PRO 84 6.029 -11.929 -2.107 650 2HD PRO 84 3HD PRO 84 5.915 -13.472 -2.976 651 HA PRO 85 HA PRO 85 3.562 -7.540 -5.382 652 1HB PRO 85 2HB PRO 85 2.394 -7.271 -7.818 653 2HB PRO 85 3HB PRO 85 4.142 -7.415 -7.602 654 1HG PRO 85 2HG PRO 85 2.150 -9.511 -8.376 655 2HG PRO 85 3HG PRO 85 3.764 -9.201 -9.043 656 1HD PRO 85 2HD PRO 85 3.283 -11.176 -7.254 657 2HD PRO 85 3HD PRO 85 4.826 -10.301 -7.319 658 H ALA 86 H ALA 86 1.826 -6.284 -4.836 659 HA ALA 86 HA ALA 86 -0.574 -7.577 -4.050 660 1HB ALA 86 1HB ALA 86 0.494 -4.820 -3.957 661 2HB ALA 86 2HB ALA 86 -1.258 -5.004 -3.856 662 3HB ALA 86 3HB ALA 86 -0.217 -5.807 -2.680 663 H ARG 87 H ARG 87 -1.400 -8.517 -5.966 664 HA ARG 87 HA ARG 87 -2.958 -6.638 -7.574 665 1HB ARG 87 2HB ARG 87 -1.289 -8.843 -8.797 666 2HB ARG 87 3HB ARG 87 -2.344 -7.733 -9.661 667 1HG ARG 87 2HG ARG 87 0.054 -6.864 -8.067 668 2HG ARG 87 3HG ARG 87 0.083 -7.192 -9.801 669 1HD ARG 87 2HD ARG 87 -1.794 -5.212 -8.531 670 2HD ARG 87 3HD ARG 87 -0.197 -4.772 -9.134 671 HE ARG 87 HE ARG 87 -1.782 -6.139 -11.085 672 1HH1 ARG 87 1HH1 ARG 87 -1.143 -3.048 -9.616 673 2HH1 ARG 87 2HH1 ARG 87 -1.690 -2.138 -10.985 674 1HH2 ARG 87 1HH2 ARG 87 -2.504 -4.952 -12.894 675 2HH2 ARG 87 2HH2 ARG 87 -2.465 -3.222 -12.849 676 H ARG 88 H ARG 88 -3.474 -8.636 -5.428 677 HA ARG 88 HA ARG 88 -4.612 -10.985 -6.340 678 1HB ARG 88 2HB ARG 88 -5.073 -9.228 -3.977 679 2HB ARG 88 3HB ARG 88 -6.251 -10.492 -4.304 680 1HG ARG 88 2HG ARG 88 -3.997 -11.927 -4.504 681 2HG ARG 88 3HG ARG 88 -3.466 -10.691 -3.362 682 1HD ARG 88 2HD ARG 88 -5.850 -11.303 -2.291 683 2HD ARG 88 3HD ARG 88 -5.460 -12.849 -3.044 684 HE ARG 88 HE ARG 88 -3.869 -13.179 -1.438 685 1HH1 ARG 88 1HH1 ARG 88 -4.709 -9.801 -1.516 686 2HH1 ARG 88 2HH1 ARG 88 -3.772 -9.402 -0.114 687 1HH2 ARG 88 1HH2 ARG 88 -2.632 -12.666 0.408 688 2HH2 ARG 88 2HH2 ARG 88 -2.590 -11.032 0.979 689 H LYS 89 H LYS 89 -6.235 -11.398 -7.674 690 HA LYS 89 HA LYS 89 -8.541 -9.600 -7.750 691 1HB LYS 89 2HB LYS 89 -8.555 -9.531 -10.180 692 2HB LYS 89 3HB LYS 89 -7.038 -8.883 -9.569 693 1HG LYS 89 2HG LYS 89 -5.984 -11.088 -10.021 694 2HG LYS 89 3HG LYS 89 -7.495 -11.603 -10.774 695 1HD LYS 89 2HD LYS 89 -6.243 -9.061 -11.689 696 2HD LYS 89 3HD LYS 89 -5.522 -10.588 -12.204 697 1HE LYS 89 2HE LYS 89 -7.600 -11.295 -13.187 698 2HE LYS 89 3HE LYS 89 -8.435 -9.884 -12.538 699 1HZ LYS 89 1HZ LYS 89 -6.399 -9.968 -14.685 700 2HZ LYS 89 2HZ LYS 89 -6.830 -8.529 -13.908 701 3HZ LYS 89 3HZ LYS 89 -7.991 -9.401 -14.776 702 H LEU 90 H LEU 90 -10.099 -10.695 -9.589 703 HA LEU 90 HA LEU 90 -11.106 -13.007 -8.400 704 1HB LEU 90 2HB LEU 90 -11.520 -11.739 -11.084 705 2HB LEU 90 3HB LEU 90 -12.316 -13.254 -10.664 706 HG LEU 90 HG LEU 90 -12.625 -10.882 -8.872 707 1HD1 LEU 90 1HD1 LEU 90 -14.562 -10.155 -10.153 708 2HD1 LEU 90 2HD1 LEU 90 -14.220 -11.370 -11.384 709 3HD1 LEU 90 3HD1 LEU 90 -13.091 -10.041 -11.120 710 1HD2 LEU 90 1HD2 LEU 90 -13.821 -12.458 -7.836 711 2HD2 LEU 90 2HD2 LEU 90 -13.829 -13.511 -9.251 712 3HD2 LEU 90 3HD2 LEU 90 -15.014 -12.211 -9.111 713 H LEU 91 H LEU 91 -9.956 -12.975 -11.763 714 HA LEU 91 HA LEU 91 -8.597 -14.403 -12.917 715 1HB LEU 91 2HB LEU 91 -7.336 -14.341 -10.625 716 2HB LEU 91 3HB LEU 91 -7.988 -15.969 -10.449 717 HG LEU 91 HG LEU 91 -6.554 -15.383 -12.971 718 1HD1 LEU 91 1HD1 LEU 91 -5.207 -14.257 -11.186 719 2HD1 LEU 91 2HD1 LEU 91 -4.378 -15.567 -12.026 720 3HD1 LEU 91 3HD1 LEU 91 -5.035 -15.832 -10.411 721 1HD2 LEU 91 1HD2 LEU 91 -7.479 -17.627 -11.541 722 2HD2 LEU 91 2HD2 LEU 91 -5.717 -17.711 -11.538 723 3HD2 LEU 91 3HD2 LEU 91 -6.592 -17.599 -13.066 724 H GLU 92 H GLU 92 -11.320 -15.169 -11.252 725 HA GLU 92 HA GLU 92 -11.402 -17.968 -12.096 726 1HB GLU 92 2HB GLU 92 -12.166 -17.192 -9.790 727 2HB GLU 92 3HB GLU 92 -13.549 -16.472 -10.601 728 1HG GLU 92 2HG GLU 92 -13.713 -18.935 -11.609 729 2HG GLU 92 3HG GLU 92 -12.917 -19.308 -10.081 730 H VAL 93 H VAL 93 -12.710 -14.842 -12.869 731 HA VAL 93 HA VAL 93 -14.644 -15.994 -14.735 732 HB VAL 93 HB VAL 93 -14.167 -13.070 -14.158 733 1HG1 VAL 93 1HG1 VAL 93 -16.061 -14.606 -15.808 734 2HG1 VAL 93 2HG1 VAL 93 -16.769 -13.310 -14.841 735 3HG1 VAL 93 3HG1 VAL 93 -15.477 -12.952 -15.989 736 1HG2 VAL 93 1HG2 VAL 93 -15.624 -15.137 -12.630 737 2HG2 VAL 93 2HG2 VAL 93 -14.869 -13.641 -12.082 738 3HG2 VAL 93 3HG2 VAL 93 -16.453 -13.597 -12.856 739 H LEU 94 H LEU 94 -14.670 -15.450 -16.953 740 HA LEU 94 HA LEU 94 -12.723 -13.865 -18.227 741 1HB LEU 94 2HB LEU 94 -11.567 -16.120 -17.357 742 2HB LEU 94 3HB LEU 94 -12.184 -16.694 -18.905 743 HG LEU 94 HG LEU 94 -9.869 -15.999 -19.106 744 1HD1 LEU 94 1HD1 LEU 94 -11.867 -15.356 -20.800 745 2HD1 LEU 94 2HD1 LEU 94 -10.160 -15.063 -21.130 746 3HD1 LEU 94 3HD1 LEU 94 -11.173 -13.762 -20.504 747 1HD2 LEU 94 1HD2 LEU 94 -10.815 -13.738 -17.542 748 2HD2 LEU 94 2HD2 LEU 94 -9.872 -13.246 -18.949 749 3HD2 LEU 94 3HD2 LEU 94 -9.178 -14.355 -17.766 750 H PHE 95 H PHE 95 -13.389 -13.403 -20.243 751 HA PHE 95 HA PHE 95 -15.562 -15.049 -21.351 752 1HB PHE 95 2HB PHE 95 -15.095 -12.140 -21.206 753 2HB PHE 95 3HB PHE 95 -15.707 -12.720 -22.751 754 HD1 PHE 95 HD1 PHE 95 -16.464 -12.098 -19.266 755 HD2 PHE 95 HD2 PHE 95 -17.885 -13.865 -22.868 756 HE1 PHE 95 HE1 PHE 95 -18.741 -12.160 -18.334 757 HE2 PHE 95 HE2 PHE 95 -20.164 -13.929 -21.942 758 HZ PHE 95 HZ PHE 95 -20.594 -13.075 -19.673 759 H ASN 96 H ASN 96 -14.617 -16.465 -22.708 760 HA ASN 96 HA ASN 96 -12.724 -15.403 -24.699 761 1HB ASN 96 2HB ASN 96 -13.057 -18.316 -23.995 762 2HB ASN 96 3HB ASN 96 -11.715 -17.545 -24.837 763 1HD2 ASN 96 1HD2 ASN 96 -13.293 -17.965 -21.746 764 2HD2 ASN 96 2HD2 ASN 96 -11.936 -17.517 -20.776 765 H GLY 97 H GLY 97 -15.697 -15.366 -24.773 766 1HA GLY 97 2HA GLY 97 -17.298 -15.581 -26.409 767 2HA GLY 97 3HA GLY 97 -16.017 -16.105 -27.493 768 HA PRO 98 HA PRO 98 -17.567 -20.105 -25.260 769 1HB PRO 98 2HB PRO 98 -19.772 -19.854 -23.697 770 2HB PRO 98 3HB PRO 98 -18.129 -19.662 -23.077 771 1HG PRO 98 2HG PRO 98 -20.109 -17.563 -23.875 772 2HG PRO 98 3HG PRO 98 -19.035 -17.610 -22.464 773 1HD PRO 98 2HD PRO 98 -18.473 -16.151 -24.675 774 2HD PRO 98 3HD PRO 98 -17.209 -16.892 -23.673 775 H LEU 99 H LEU 99 -19.965 -17.702 -26.217 776 HA LEU 99 HA LEU 99 -21.700 -19.726 -27.369 777 1HB LEU 99 2HB LEU 99 -22.009 -17.070 -26.426 778 2HB LEU 99 3HB LEU 99 -22.459 -17.090 -28.130 779 HG LEU 99 HG LEU 99 -24.413 -17.395 -26.732 780 1HD1 LEU 99 1HD1 LEU 99 -24.302 -18.545 -28.904 781 2HD1 LEU 99 2HD1 LEU 99 -25.289 -19.417 -27.731 782 3HD1 LEU 99 3HD1 LEU 99 -23.657 -19.975 -28.097 783 1HD2 LEU 99 1HD2 LEU 99 -22.722 -18.821 -25.079 784 2HD2 LEU 99 2HD2 LEU 99 -23.781 -20.057 -25.759 785 3HD2 LEU 99 3HD2 LEU 99 -24.471 -18.674 -24.908 786 H GLU 100 H GLU 100 -21.593 -20.395 -29.406 787 HA GLU 100 HA GLU 100 -19.795 -19.021 -31.249 788 1HB GLU 100 2HB GLU 100 -19.887 -21.022 -32.590 789 2HB GLU 100 3HB GLU 100 -19.604 -21.477 -30.916 790 1HG GLU 100 2HG GLU 100 -22.278 -21.630 -30.973 791 2HG GLU 100 3HG GLU 100 -21.920 -22.000 -32.659 792 H HIS 101 H HIS 101 -22.828 -18.518 -30.445 793 HA HIS 101 HA HIS 101 -24.621 -17.535 -31.442 794 1HB HIS 101 2HB HIS 101 -22.361 -16.770 -33.017 795 2HB HIS 101 3HB HIS 101 -23.723 -17.054 -34.096 796 HD1 HIS 101 HD1 HIS 101 -26.011 -15.728 -33.281 797 HD2 HIS 101 HD2 HIS 101 -22.352 -14.293 -31.934 798 HE1 HIS 101 HE1 HIS 101 -26.446 -13.363 -32.547
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