NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16843 | 2awt | 6801 | 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 1H MET 1 -13.826 3.244 -20.653 2 HA MET 1 HA MET 1 -14.127 2.731 -23.499 3 1HB MET 1 1HB MET 1 -13.068 5.291 -22.356 4 2HB MET 1 2HB MET 1 -12.430 4.682 -23.877 5 1HG MET 1 1HG MET 1 -14.109 6.151 -24.515 6 2HG MET 1 2HG MET 1 -14.860 4.563 -24.643 7 1HE MET 1 1HE MET 1 -17.426 5.241 -24.460 8 2HE MET 1 2HE MET 1 -17.914 6.643 -23.508 9 3HE MET 1 3HE MET 1 -16.720 6.823 -24.795 10 H ALA 2 H ALA 2 -12.104 2.172 -24.541 11 HA ALA 2 HA ALA 2 -10.351 0.746 -22.730 12 1HB ALA 2 1HB ALA 2 -9.334 0.425 -25.282 13 2HB ALA 2 2HB ALA 2 -10.441 -0.667 -24.449 14 3HB ALA 2 3HB ALA 2 -11.074 0.572 -25.532 15 H ASP 3 H ASP 3 -8.243 1.192 -22.307 16 HA ASP 3 HA ASP 3 -6.834 3.246 -23.789 17 1HB ASP 3 1HB ASP 3 -7.395 3.574 -20.833 18 2HB ASP 3 2HB ASP 3 -6.337 4.602 -21.795 19 H GLU 4 H GLU 4 -4.628 3.651 -22.477 20 HA GLU 4 HA GLU 4 -3.369 1.066 -22.404 21 1HB GLU 4 1HB GLU 4 -2.275 3.846 -21.948 22 2HB GLU 4 2HB GLU 4 -1.291 2.389 -21.983 23 1HG GLU 4 1HG GLU 4 -1.513 2.121 -24.242 24 2HG GLU 4 2HG GLU 4 -3.055 2.973 -24.303 25 H LYS 5 H LYS 5 -1.959 0.377 -20.636 26 HA LYS 5 HA LYS 5 -2.655 1.426 -17.998 27 1HB LYS 5 1HB LYS 5 -2.918 -1.492 -18.750 28 2HB LYS 5 2HB LYS 5 -3.100 -0.836 -17.128 29 1HG LYS 5 1HG LYS 5 -5.034 0.462 -17.868 30 2HG LYS 5 2HG LYS 5 -4.851 -0.198 -19.496 31 1HD LYS 5 1HD LYS 5 -5.064 -2.101 -17.218 32 2HD LYS 5 2HD LYS 5 -6.525 -1.262 -17.745 33 1HE LYS 5 1HE LYS 5 -4.703 -2.850 -19.550 34 2HE LYS 5 2HE LYS 5 -6.197 -3.463 -18.841 35 1HZ LYS 5 1HZ LYS 5 -7.322 -1.534 -19.971 36 2HZ LYS 5 2HZ LYS 5 -6.738 -2.746 -20.996 37 3HZ LYS 5 3HZ LYS 5 -5.886 -1.294 -20.833 38 HA PRO 6 HA PRO 6 1.849 0.363 -18.572 39 1HB PRO 6 1HB PRO 6 2.780 2.769 -17.728 40 2HB PRO 6 2HB PRO 6 2.343 2.445 -19.410 41 1HG PRO 6 1HG PRO 6 0.762 3.823 -17.274 42 2HG PRO 6 2HG PRO 6 0.967 4.269 -18.978 43 1HD PRO 6 1HD PRO 6 -1.243 3.004 -18.059 44 2HD PRO 6 2HD PRO 6 -0.607 2.746 -19.696 45 H LYS 7 H LYS 7 2.181 -1.004 -16.901 46 HA LYS 7 HA LYS 7 2.070 0.105 -14.173 47 1HB LYS 7 1HB LYS 7 0.545 -1.861 -14.835 48 2HB LYS 7 2HB LYS 7 2.012 -2.831 -14.836 49 1HG LYS 7 1HG LYS 7 2.371 -2.436 -12.519 50 2HG LYS 7 2HG LYS 7 1.095 -1.217 -12.470 51 1HD LYS 7 1HD LYS 7 0.647 -4.129 -13.118 52 2HD LYS 7 2HD LYS 7 0.426 -3.419 -11.517 53 1HE LYS 7 1HE LYS 7 -1.074 -2.725 -14.039 54 2HE LYS 7 2HE LYS 7 -1.709 -3.559 -12.622 55 1HZ LYS 7 1HZ LYS 7 -2.411 -1.338 -12.451 56 2HZ LYS 7 2HZ LYS 7 -0.884 -0.724 -12.843 57 3HZ LYS 7 3HZ LYS 7 -1.133 -1.482 -11.352 58 H GLU 8 H GLU 8 4.296 0.862 -15.192 59 HA GLU 8 HA GLU 8 6.317 -1.145 -14.432 60 1HB GLU 8 1HB GLU 8 7.872 0.034 -15.950 61 2HB GLU 8 2HB GLU 8 6.481 -0.633 -16.794 62 1HG GLU 8 1HG GLU 8 5.437 1.595 -16.782 63 2HG GLU 8 2HG GLU 8 6.882 2.244 -16.009 64 H GLY 9 H GLY 9 8.439 -0.066 -13.745 65 1HA GLY 9 2HA GLY 9 7.784 1.796 -11.612 66 2HA GLY 9 3HA GLY 9 9.316 0.965 -11.839 67 H VAL 10 H VAL 10 7.962 3.919 -11.793 68 HA VAL 10 HA VAL 10 10.174 5.074 -13.285 69 HB VAL 10 HB VAL 10 8.770 6.592 -14.578 70 1HG1 VAL 10 1HG1 VAL 10 8.041 5.057 -16.251 71 2HG1 VAL 10 2HG1 VAL 10 9.474 4.364 -15.488 72 3HG1 VAL 10 3HG1 VAL 10 7.870 3.759 -15.069 73 1HG2 VAL 10 1HG2 VAL 10 6.572 5.191 -13.121 74 2HG2 VAL 10 2HG2 VAL 10 6.797 6.913 -13.426 75 3HG2 VAL 10 3HG2 VAL 10 6.272 5.848 -14.730 76 H LYS 11 H LYS 11 10.366 7.419 -12.926 77 HA LYS 11 HA LYS 11 9.396 8.121 -10.244 78 1HB LYS 11 1HB LYS 11 11.622 9.488 -11.748 79 2HB LYS 11 2HB LYS 11 11.284 9.546 -10.023 80 1HG LYS 11 1HG LYS 11 12.181 7.089 -11.515 81 2HG LYS 11 2HG LYS 11 13.238 8.155 -10.586 82 1HD LYS 11 1HD LYS 11 10.821 6.897 -9.332 83 2HD LYS 11 2HD LYS 11 12.344 6.013 -9.459 84 1HE LYS 11 1HE LYS 11 12.335 8.774 -8.323 85 2HE LYS 11 2HE LYS 11 11.795 7.426 -7.323 86 1HZ LYS 11 1HZ LYS 11 13.884 6.818 -6.986 87 2HZ LYS 11 2HZ LYS 11 14.395 8.223 -7.775 88 3HZ LYS 11 3HZ LYS 11 14.219 6.782 -8.644 89 H THR 12 H THR 12 8.855 10.391 -9.838 90 HA THR 12 HA THR 12 8.106 11.993 -12.144 91 HB THR 12 HB THR 12 5.770 12.299 -11.313 92 HG1 THR 12 1HG THR 12 5.314 11.437 -9.444 93 1HG2 THR 12 1HG2 THR 12 6.272 9.403 -11.951 94 2HG2 THR 12 2HG2 THR 12 6.484 10.676 -13.153 95 3HG2 THR 12 3HG2 THR 12 4.903 10.410 -12.419 96 H GLU 13 H GLU 13 6.940 14.069 -11.299 97 HA GLU 13 HA GLU 13 8.713 15.494 -9.722 98 1HB GLU 13 1HB GLU 13 6.868 16.365 -11.272 99 2HB GLU 13 2HB GLU 13 5.784 16.171 -9.901 100 1HG GLU 13 1HG GLU 13 6.642 18.470 -10.175 101 2HG GLU 13 2HG GLU 13 7.025 17.755 -8.610 102 H ASN 14 H ASN 14 8.246 16.576 -7.619 103 HA ASN 14 HA ASN 14 7.213 14.592 -5.724 104 1HB ASN 14 1HB ASN 14 9.241 16.783 -5.554 105 2HB ASN 14 2HB ASN 14 8.410 16.281 -4.084 106 1HD2 ASN 14 1HD2 ASN 14 8.200 13.667 -4.206 107 2HD2 ASN 14 2HD2 ASN 14 9.741 12.899 -4.352 108 H ASN 15 H ASN 15 5.066 14.929 -5.503 109 HA ASN 15 HA ASN 15 3.952 17.585 -5.381 110 1HB ASN 15 1HB ASN 15 2.690 14.867 -4.960 111 2HB ASN 15 2HB ASN 15 1.801 16.387 -5.005 112 1HD2 ASN 15 1HD2 ASN 15 2.576 13.781 -6.770 113 2HD2 ASN 15 2HD2 ASN 15 2.483 14.446 -8.361 114 H ASP 16 H ASP 16 3.429 14.875 -3.139 115 HA ASP 16 HA ASP 16 3.878 16.743 -0.906 116 1HB ASP 16 1HB ASP 16 1.465 15.451 -1.600 117 2HB ASP 16 2HB ASP 16 2.072 14.632 -0.164 118 H HIS 17 H HIS 17 3.743 15.095 1.213 119 HA HIS 17 HA HIS 17 5.257 12.685 0.814 120 1HB HIS 17 1HB HIS 17 7.057 14.334 0.639 121 2HB HIS 17 2HB HIS 17 6.574 15.045 2.176 122 HD1 HIS 17 1HD HIS 17 8.449 14.492 3.707 123 HD2 HIS 17 2HD HIS 17 7.261 11.215 1.446 124 HE1 HIS 17 1HE HIS 17 9.779 12.549 4.589 125 H ILE 18 H ILE 18 3.684 11.638 1.979 126 HA ILE 18 HA ILE 18 3.253 12.514 4.752 127 HB ILE 18 HB ILE 18 1.222 11.274 4.773 128 1HG1 ILE 18 1HG1 ILE 18 2.056 10.185 2.076 129 2HG1 ILE 18 2HG1 ILE 18 1.983 9.280 3.584 130 1HG2 ILE 18 1HG2 ILE 18 -0.027 12.287 2.907 131 2HG2 ILE 18 2HG2 ILE 18 1.062 13.430 3.689 132 3HG2 ILE 18 3HG2 ILE 18 1.502 12.714 2.139 133 1HD1 ILE 18 1HD1 ILE 18 -0.549 10.257 3.401 134 2HD1 ILE 18 2HD1 ILE 18 -0.136 9.985 1.708 135 3HD1 ILE 18 3HD1 ILE 18 -0.032 8.658 2.865 136 H ASN 19 H ASN 19 2.454 10.287 5.998 137 HA ASN 19 HA ASN 19 4.669 8.373 5.679 138 1HB ASN 19 1HB ASN 19 4.623 10.109 7.717 139 2HB ASN 19 2HB ASN 19 3.589 8.862 8.408 140 1HD2 ASN 19 1HD2 ASN 19 4.445 6.732 8.632 141 2HD2 ASN 19 2HD2 ASN 19 6.149 6.493 8.796 142 H LEU 20 H LEU 20 4.227 6.215 6.193 143 HA LEU 20 HA LEU 20 1.497 5.505 6.934 144 1HB LEU 20 1HB LEU 20 2.836 4.728 4.359 145 2HB LEU 20 2HB LEU 20 1.512 3.791 5.049 146 HG LEU 20 HG LEU 20 1.373 6.668 4.147 147 1HD1 LEU 20 1HD1 LEU 20 -0.191 5.719 2.452 148 2HD1 LEU 20 2HD1 LEU 20 0.318 4.109 2.960 149 3HD1 LEU 20 3HD1 LEU 20 1.489 5.221 2.251 150 1HD2 LEU 20 1HD2 LEU 20 -0.560 4.873 5.557 151 2HD2 LEU 20 2HD2 LEU 20 -1.144 6.126 4.461 152 3HD2 LEU 20 3HD2 LEU 20 -0.172 6.566 5.866 153 H LYS 21 H LYS 21 1.267 3.303 7.621 154 HA LYS 21 HA LYS 21 3.765 1.836 8.063 155 1HB LYS 21 1HB LYS 21 1.888 2.859 10.159 156 2HB LYS 21 2HB LYS 21 2.729 1.337 10.427 157 1HG LYS 21 1HG LYS 21 4.808 2.347 10.503 158 2HG LYS 21 2HG LYS 21 4.257 3.777 9.627 159 1HD LYS 21 1HD LYS 21 4.538 4.450 11.879 160 2HD LYS 21 2HD LYS 21 2.798 4.283 11.631 161 1HE LYS 21 1HE LYS 21 2.791 2.149 12.731 162 2HE LYS 21 2HE LYS 21 4.551 2.143 12.829 163 1HZ LYS 21 1HZ LYS 21 4.387 3.158 14.773 164 2HZ LYS 21 2HZ LYS 21 2.702 3.228 14.644 165 3HZ LYS 21 3HZ LYS 21 3.650 4.489 14.032 166 H VAL 22 H VAL 22 3.466 -0.091 7.174 167 HA VAL 22 HA VAL 22 0.794 -1.221 6.959 168 HB VAL 22 HB VAL 22 3.379 -2.413 5.960 169 1HG1 VAL 22 1HG1 VAL 22 0.495 -3.040 5.640 170 2HG1 VAL 22 2HG1 VAL 22 1.553 -3.286 4.250 171 3HG1 VAL 22 3HG1 VAL 22 1.881 -4.121 5.768 172 1HG2 VAL 22 1HG2 VAL 22 3.118 -0.181 5.027 173 2HG2 VAL 22 2HG2 VAL 22 2.838 -1.406 3.789 174 3HG2 VAL 22 3HG2 VAL 22 1.472 -0.568 4.525 175 H ALA 23 H ALA 23 0.453 -1.669 9.199 176 HA ALA 23 HA ALA 23 2.188 -3.509 10.578 177 1HB ALA 23 1HB ALA 23 1.082 -1.841 11.887 178 2HB ALA 23 2HB ALA 23 -0.499 -2.352 11.297 179 3HB ALA 23 3HB ALA 23 0.436 -3.416 12.348 180 H GLY 24 H GLY 24 2.207 -5.401 9.358 181 1HA GLY 24 2HA GLY 24 -0.324 -6.733 8.789 182 2HA GLY 24 3HA GLY 24 1.270 -7.261 8.272 183 H GLN 25 H GLN 25 -1.204 -7.583 10.605 184 HA GLN 25 HA GLN 25 0.199 -8.683 12.762 185 1HB GLN 25 1HB GLN 25 -1.918 -9.613 13.474 186 2HB GLN 25 2HB GLN 25 -2.176 -7.992 12.842 187 1HG GLN 25 1HG GLN 25 -2.619 -9.392 10.612 188 2HG GLN 25 2HG GLN 25 -3.083 -10.603 11.807 189 1HE2 GLN 25 1HE2 GLN 25 -4.770 -10.093 13.283 190 2HE2 GLN 25 2HE2 GLN 25 -5.969 -8.918 12.875 191 H ASP 26 H ASP 26 -0.644 -10.004 9.677 192 HA ASP 26 HA ASP 26 -0.011 -12.726 10.530 193 1HB ASP 26 1HB ASP 26 -1.137 -11.560 7.989 194 2HB ASP 26 2HB ASP 26 -0.586 -13.231 8.080 195 H GLY 27 H GLY 27 1.908 -10.346 10.137 196 1HA GLY 27 2HA GLY 27 4.030 -11.931 8.987 197 2HA GLY 27 3HA GLY 27 3.586 -10.534 8.018 198 H SER 28 H SER 28 3.767 -8.414 9.001 199 HA SER 28 HA SER 28 4.928 -7.911 11.491 200 1HB SER 28 1HB SER 28 6.956 -8.922 10.886 201 2HB SER 28 2HB SER 28 6.870 -8.320 9.230 202 HG SER 28 HG SER 28 8.269 -7.261 11.056 203 H VAL 29 H VAL 29 5.617 -5.662 11.742 204 HA VAL 29 HA VAL 29 4.055 -3.928 10.024 205 HB VAL 29 HB VAL 29 4.004 -3.665 12.490 206 1HG1 VAL 29 1HG1 VAL 29 6.855 -2.750 12.129 207 2HG1 VAL 29 2HG1 VAL 29 5.913 -2.597 13.613 208 3HG1 VAL 29 3HG1 VAL 29 6.320 -4.195 12.987 209 1HG2 VAL 29 1HG2 VAL 29 3.754 -1.774 10.666 210 2HG2 VAL 29 2HG2 VAL 29 3.715 -1.397 12.389 211 3HG2 VAL 29 3HG2 VAL 29 5.194 -1.139 11.463 212 H VAL 30 H VAL 30 4.822 -2.388 8.658 213 HA VAL 30 HA VAL 30 7.718 -1.957 8.506 214 HB VAL 30 HB VAL 30 6.002 -2.624 6.109 215 1HG1 VAL 30 1HG1 VAL 30 8.170 -2.572 4.893 216 2HG1 VAL 30 2HG1 VAL 30 7.667 -0.998 5.514 217 3HG1 VAL 30 3HG1 VAL 30 8.923 -1.917 6.346 218 1HG2 VAL 30 1HG2 VAL 30 8.176 -4.190 7.492 219 2HG2 VAL 30 2HG2 VAL 30 6.468 -4.617 7.382 220 3HG2 VAL 30 3HG2 VAL 30 7.472 -4.614 5.932 221 H GLN 31 H GLN 31 8.248 0.118 8.216 222 HA GLN 31 HA GLN 31 6.089 2.034 7.771 223 1HB GLN 31 1HB GLN 31 8.948 2.456 8.658 224 2HB GLN 31 2HB GLN 31 7.734 3.721 8.523 225 1HG GLN 31 1HG GLN 31 6.662 3.094 10.415 226 2HG GLN 31 2HG GLN 31 7.056 1.388 10.206 227 1HE2 GLN 31 1HE2 GLN 31 7.529 1.505 12.505 228 2HE2 GLN 31 2HE2 GLN 31 9.089 2.045 13.015 229 H PHE 32 H PHE 32 6.047 3.496 6.107 230 HA PHE 32 HA PHE 32 8.238 3.592 4.203 231 1HB PHE 32 1HB PHE 32 5.934 1.950 3.761 232 2HB PHE 32 2HB PHE 32 5.913 3.280 2.608 233 HD1 PHE 32 1HD PHE 32 7.823 0.378 3.810 234 HD2 PHE 32 2HD PHE 32 7.499 3.409 0.839 235 HE1 PHE 32 1HE PHE 32 9.480 -0.804 2.427 236 HE2 PHE 32 2HE PHE 32 9.154 2.231 -0.549 237 HZ PHE 32 HZ PHE 32 10.147 0.121 0.244 238 H LYS 33 H LYS 33 7.815 5.225 2.471 239 HA LYS 33 HA LYS 33 6.038 7.361 3.452 240 1HB LYS 33 1HB LYS 33 7.760 8.936 2.411 241 2HB LYS 33 2HB LYS 33 8.207 8.147 3.918 242 1HG LYS 33 1HG LYS 33 8.976 6.829 1.371 243 2HG LYS 33 2HG LYS 33 9.859 8.275 1.867 244 1HD LYS 33 1HD LYS 33 9.420 6.194 3.929 245 2HD LYS 33 2HD LYS 33 10.559 5.811 2.636 246 1HE LYS 33 1HE LYS 33 11.678 8.015 3.129 247 2HE LYS 33 2HE LYS 33 10.658 8.124 4.563 248 1HZ LYS 33 1HZ LYS 33 13.003 7.116 4.765 249 2HZ LYS 33 2HZ LYS 33 12.305 5.726 4.099 250 3HZ LYS 33 3HZ LYS 33 11.718 6.351 5.557 251 H ILE 34 H ILE 34 4.971 8.612 1.913 252 HA ILE 34 HA ILE 34 5.368 8.101 -0.906 253 HB ILE 34 HB ILE 34 3.761 6.308 0.106 254 1HG1 ILE 34 1HG1 ILE 34 2.308 7.356 -2.156 255 2HG1 ILE 34 2HG1 ILE 34 4.041 7.526 -2.417 256 1HG2 ILE 34 1HG2 ILE 34 2.432 8.367 1.111 257 2HG2 ILE 34 2HG2 ILE 34 1.624 8.290 -0.454 258 3HG2 ILE 34 3HG2 ILE 34 1.615 6.885 0.612 259 1HD1 ILE 34 1HD1 ILE 34 3.518 4.931 -1.372 260 2HD1 ILE 34 2HD1 ILE 34 2.445 5.235 -2.739 261 3HD1 ILE 34 3HD1 ILE 34 4.191 5.387 -2.936 262 H LYS 35 H LYS 35 3.903 9.446 -2.257 263 HA LYS 35 HA LYS 35 3.591 12.059 -1.020 264 1HB LYS 35 1HB LYS 35 3.085 11.344 -3.906 265 2HB LYS 35 2HB LYS 35 3.432 12.931 -3.232 266 1HG LYS 35 1HG LYS 35 5.699 12.109 -2.623 267 2HG LYS 35 2HG LYS 35 5.330 10.609 -3.478 268 1HD LYS 35 1HD LYS 35 4.668 12.484 -5.343 269 2HD LYS 35 2HD LYS 35 6.027 13.260 -4.525 270 1HE LYS 35 1HE LYS 35 7.005 12.030 -6.262 271 2HE LYS 35 2HE LYS 35 7.249 11.040 -4.824 272 1HZ LYS 35 1HZ LYS 35 4.905 10.613 -6.562 273 2HZ LYS 35 2HZ LYS 35 5.642 9.533 -5.489 274 3HZ LYS 35 3HZ LYS 35 6.400 9.923 -6.951 275 H ARG 36 H ARG 36 1.616 13.342 -2.022 276 HA ARG 36 HA ARG 36 -0.709 12.230 -0.868 277 1HB ARG 36 1HB ARG 36 -0.321 14.650 -1.014 278 2HB ARG 36 2HB ARG 36 -0.441 14.567 -2.767 279 1HG ARG 36 1HG ARG 36 -2.566 15.174 -2.390 280 2HG ARG 36 2HG ARG 36 -2.793 13.452 -2.075 281 1HD ARG 36 1HD ARG 36 -3.130 13.776 0.122 282 2HD ARG 36 2HD ARG 36 -1.854 14.987 0.236 283 HE ARG 36 HE ARG 36 -4.663 15.457 -0.170 284 1HH1 ARG 36 2HH1 ARG 36 -1.450 16.735 -0.576 285 2HH1 ARG 36 1HH1 ARG 36 -1.972 18.387 -0.618 286 1HH2 ARG 36 2HH2 ARG 36 -5.362 17.627 -0.223 287 2HH2 ARG 36 1HH2 ARG 36 -4.197 18.893 -0.416 288 H HIS 37 H HIS 37 -0.110 13.083 -4.283 289 HA HIS 37 HA HIS 37 -2.224 11.242 -5.089 290 1HB HIS 37 1HB HIS 37 -2.299 13.416 -6.128 291 2HB HIS 37 2HB HIS 37 -0.618 13.283 -6.635 292 HD1 HIS 37 1HD HIS 37 -0.751 13.198 -9.114 293 HD2 HIS 37 2HD HIS 37 -3.505 10.661 -7.313 294 HE1 HIS 37 1HE HIS 37 -1.815 11.914 -10.997 295 H THR 38 H THR 38 -1.082 9.301 -4.555 296 HA THR 38 HA THR 38 0.718 8.464 -6.705 297 HB THR 38 HB THR 38 1.332 8.058 -3.771 298 HG1 THR 38 1HG THR 38 2.788 9.440 -5.797 299 1HG2 THR 38 1HG2 THR 38 2.891 7.124 -6.183 300 2HG2 THR 38 2HG2 THR 38 1.865 6.088 -5.191 301 3HG2 THR 38 3HG2 THR 38 3.293 6.847 -4.489 302 HA PRO 39 HA PRO 39 -1.995 4.972 -6.612 303 1HB PRO 39 1HB PRO 39 -0.552 3.359 -8.251 304 2HB PRO 39 2HB PRO 39 -1.497 4.732 -8.842 305 1HG PRO 39 1HG PRO 39 1.442 4.548 -8.300 306 2HG PRO 39 2HG PRO 39 0.601 5.297 -9.670 307 1HD PRO 39 1HD PRO 39 1.572 6.737 -7.592 308 2HD PRO 39 2HD PRO 39 0.113 7.213 -8.485 309 H LEU 40 H LEU 40 -2.026 3.944 -4.686 310 HA LEU 40 HA LEU 40 0.090 3.002 -3.199 311 1HB LEU 40 1HB LEU 40 -2.675 1.816 -3.389 312 2HB LEU 40 2HB LEU 40 -1.521 1.519 -2.090 313 HG LEU 40 HG LEU 40 -2.692 4.224 -2.726 314 1HD1 LEU 40 1HD1 LEU 40 -3.709 1.969 -1.119 315 2HD1 LEU 40 2HD1 LEU 40 -4.575 3.283 -1.915 316 3HD1 LEU 40 3HD1 LEU 40 -3.781 3.562 -0.366 317 1HD2 LEU 40 1HD2 LEU 40 -0.439 3.957 -1.507 318 2HD2 LEU 40 2HD2 LEU 40 -1.407 3.354 -0.162 319 3HD2 LEU 40 3HD2 LEU 40 -1.673 4.986 -0.778 320 H SER 41 H SER 41 -1.382 1.600 -6.009 321 HA SER 41 HA SER 41 -0.733 -1.063 -5.813 322 1HB SER 41 1HB SER 41 -1.813 0.412 -7.763 323 2HB SER 41 2HB SER 41 -0.188 0.253 -8.429 324 HG SER 41 HG SER 41 -1.944 -1.846 -7.677 325 H LYS 42 H LYS 42 1.351 1.592 -6.908 326 HA LYS 42 HA LYS 42 3.591 0.189 -7.673 327 1HB LYS 42 1HB LYS 42 4.855 2.184 -7.286 328 2HB LYS 42 2HB LYS 42 3.255 2.668 -7.834 329 1HG LYS 42 1HG LYS 42 3.401 4.098 -6.108 330 2HG LYS 42 2HG LYS 42 2.858 2.700 -5.177 331 1HD LYS 42 1HD LYS 42 4.693 3.429 -3.964 332 2HD LYS 42 2HD LYS 42 5.389 2.164 -4.980 333 1HE LYS 42 1HE LYS 42 5.910 4.073 -6.625 334 2HE LYS 42 2HE LYS 42 5.612 5.143 -5.256 335 1HZ LYS 42 1HZ LYS 42 7.894 3.525 -5.826 336 2HZ LYS 42 2HZ LYS 42 7.293 3.226 -4.274 337 3HZ LYS 42 3HZ LYS 42 7.727 4.798 -4.723 338 H LEU 43 H LEU 43 2.440 0.880 -4.441 339 HA LEU 43 HA LEU 43 4.833 0.071 -3.105 340 1HB LEU 43 1HB LEU 43 2.868 1.557 -2.274 341 2HB LEU 43 2HB LEU 43 2.127 0.020 -1.833 342 HG LEU 43 HG LEU 43 4.029 -0.465 -0.360 343 1HD1 LEU 43 1HD1 LEU 43 5.249 2.016 -0.038 344 2HD1 LEU 43 2HD1 LEU 43 5.188 1.760 -1.781 345 3HD1 LEU 43 3HD1 LEU 43 5.959 0.563 -0.740 346 1HD2 LEU 43 1HD2 LEU 43 3.485 1.117 1.372 347 2HD2 LEU 43 2HD2 LEU 43 2.019 0.713 0.478 348 3HD2 LEU 43 3HD2 LEU 43 2.835 2.250 0.186 349 H MET 44 H MET 44 1.807 -1.506 -3.991 350 HA MET 44 HA MET 44 2.169 -3.892 -2.559 351 1HB MET 44 1HB MET 44 0.641 -3.244 -5.073 352 2HB MET 44 2HB MET 44 0.639 -4.856 -4.370 353 1HG MET 44 1HG MET 44 -0.022 -3.472 -2.198 354 2HG MET 44 2HG MET 44 -0.642 -2.366 -3.422 355 1HE MET 44 1HE MET 44 -3.328 -2.758 -2.559 356 2HE MET 44 2HE MET 44 -2.779 -2.381 -4.191 357 3HE MET 44 3HE MET 44 -4.017 -3.612 -3.939 358 H LYS 45 H LYS 45 2.809 -3.231 -6.007 359 HA LYS 45 HA LYS 45 3.945 -5.641 -6.705 360 1HB LYS 45 1HB LYS 45 4.230 -2.848 -7.690 361 2HB LYS 45 2HB LYS 45 5.408 -4.028 -8.250 362 1HG LYS 45 1HG LYS 45 2.432 -4.398 -8.476 363 2HG LYS 45 2HG LYS 45 3.444 -3.715 -9.750 364 1HD LYS 45 1HD LYS 45 4.184 -6.349 -8.560 365 2HD LYS 45 2HD LYS 45 2.862 -6.274 -9.727 366 1HE LYS 45 1HE LYS 45 4.665 -6.661 -11.105 367 2HE LYS 45 2HE LYS 45 4.570 -4.901 -11.142 368 1HZ LYS 45 1HZ LYS 45 6.488 -4.683 -10.005 369 2HZ LYS 45 2HZ LYS 45 6.808 -6.219 -10.637 370 3HZ LYS 45 3HZ LYS 45 6.232 -6.059 -9.055 371 H ALA 46 H ALA 46 5.567 -2.794 -5.333 372 HA ALA 46 HA ALA 46 8.177 -3.803 -5.360 373 1HB ALA 46 1HB ALA 46 7.046 -1.439 -4.650 374 2HB ALA 46 2HB ALA 46 7.515 -2.084 -3.076 375 3HB ALA 46 3HB ALA 46 8.726 -1.879 -4.342 376 H TYR 47 H TYR 47 5.616 -4.073 -2.934 377 HA TYR 47 HA TYR 47 7.001 -5.166 -0.824 378 1HB TYR 47 1HB TYR 47 4.386 -4.681 -1.315 379 2HB TYR 47 2HB TYR 47 4.394 -6.439 -1.409 380 HD1 TYR 47 1HD TYR 47 3.239 -4.286 0.692 381 HD2 TYR 47 2HD TYR 47 6.480 -7.042 0.643 382 HE1 TYR 47 1HE TYR 47 3.160 -4.413 3.147 383 HE2 TYR 47 2HE TYR 47 6.409 -7.178 3.098 384 HH TYR 47 HH TYR 47 5.526 -6.324 4.964 385 H CYS 48 H CYS 48 5.325 -7.030 -3.365 386 HA CYS 48 HA CYS 48 6.143 -9.557 -2.643 387 1HB CYS 48 1HB CYS 48 4.505 -9.233 -4.386 388 2HB CYS 48 2HB CYS 48 5.688 -8.425 -5.408 389 HG CYS 48 HG CYS 48 5.827 -10.649 -6.743 390 H GLU 49 H GLU 49 7.844 -7.221 -4.696 391 HA GLU 49 HA GLU 49 9.961 -8.756 -5.557 392 1HB GLU 49 1HB GLU 49 9.436 -6.333 -6.126 393 2HB GLU 49 2HB GLU 49 10.267 -5.900 -4.639 394 1HG GLU 49 1HG GLU 49 11.823 -5.644 -6.393 395 2HG GLU 49 2HG GLU 49 12.277 -7.107 -5.522 396 H ARG 50 H ARG 50 9.478 -7.244 -2.419 397 HA ARG 50 HA ARG 50 12.103 -8.073 -1.489 398 1HB ARG 50 1HB ARG 50 10.774 -5.894 -0.872 399 2HB ARG 50 2HB ARG 50 9.994 -6.940 0.307 400 1HG ARG 50 1HG ARG 50 12.956 -6.963 0.201 401 2HG ARG 50 2HG ARG 50 12.164 -5.537 0.875 402 1HD ARG 50 1HD ARG 50 10.785 -7.345 2.202 403 2HD ARG 50 2HD ARG 50 12.198 -8.345 1.867 404 HE ARG 50 HE ARG 50 12.840 -5.771 2.971 405 1HH1 ARG 50 2HH1 ARG 50 11.952 -9.058 3.698 406 2HH1 ARG 50 1HH1 ARG 50 12.646 -9.032 5.285 407 1HH2 ARG 50 2HH2 ARG 50 13.758 -5.725 5.059 408 2HH2 ARG 50 1HH2 ARG 50 13.672 -7.136 6.059 409 H GLN 51 H GLN 51 8.771 -8.539 -0.291 410 HA GLN 51 HA GLN 51 9.575 -11.235 0.583 411 1HB GLN 51 1HB GLN 51 7.964 -9.138 1.993 412 2HB GLN 51 2HB GLN 51 7.684 -10.839 2.340 413 1HG GLN 51 1HG GLN 51 9.898 -11.135 3.127 414 2HG GLN 51 2HG GLN 51 10.393 -9.555 2.522 415 1HE2 GLN 51 1HE2 GLN 51 8.808 -7.766 3.412 416 2HE2 GLN 51 2HE2 GLN 51 8.608 -7.799 5.128 417 H GLY 52 H GLY 52 8.777 -11.691 -1.672 418 1HA GLY 52 2HA GLY 52 5.959 -11.484 -2.180 419 2HA GLY 52 3HA GLY 52 7.134 -12.355 -3.155 420 H LEU 53 H LEU 53 5.491 -12.572 -0.002 421 HA LEU 53 HA LEU 53 5.451 -15.496 -0.329 422 1HB LEU 53 1HB LEU 53 4.845 -15.335 2.199 423 2HB LEU 53 2HB LEU 53 6.519 -15.174 1.671 424 HG LEU 53 HG LEU 53 6.210 -12.681 1.798 425 1HD1 LEU 53 1HD1 LEU 53 4.266 -12.212 3.547 426 2HD1 LEU 53 2HD1 LEU 53 3.540 -13.584 2.712 427 3HD1 LEU 53 3HD1 LEU 53 4.003 -12.145 1.804 428 1HD2 LEU 53 1HD2 LEU 53 5.668 -13.527 4.536 429 2HD2 LEU 53 2HD2 LEU 53 7.100 -12.763 3.846 430 3HD2 LEU 53 3HD2 LEU 53 6.887 -14.511 3.726 431 H SER 54 H SER 54 3.519 -12.664 -0.105 432 HA SER 54 HA SER 54 1.137 -14.163 -0.690 433 1HB SER 54 1HB SER 54 1.506 -12.839 1.986 434 2HB SER 54 2HB SER 54 -0.099 -13.011 1.277 435 HG SER 54 HG SER 54 1.701 -15.012 2.109 436 H MET 55 H MET 55 1.452 -12.820 -2.577 437 HA MET 55 HA MET 55 1.066 -9.959 -2.266 438 1HB MET 55 1HB MET 55 1.498 -9.791 -4.605 439 2HB MET 55 2HB MET 55 2.646 -10.953 -3.954 440 1HG MET 55 1HG MET 55 0.980 -12.741 -4.693 441 2HG MET 55 2HG MET 55 0.221 -11.460 -5.636 442 1HE MET 55 1HE MET 55 3.318 -14.218 -6.743 443 2HE MET 55 2HE MET 55 1.826 -14.264 -5.804 444 3HE MET 55 3HE MET 55 1.759 -14.104 -7.560 445 H ARG 56 H ARG 56 -0.778 -12.788 -3.043 446 HA ARG 56 HA ARG 56 -3.025 -11.202 -4.026 447 1HB ARG 56 1HB ARG 56 -2.224 -13.431 -5.055 448 2HB ARG 56 2HB ARG 56 -3.015 -14.189 -3.678 449 1HG ARG 56 1HG ARG 56 -5.036 -12.677 -4.477 450 2HG ARG 56 2HG ARG 56 -4.189 -12.804 -6.020 451 1HD ARG 56 1HD ARG 56 -4.781 -15.227 -4.353 452 2HD ARG 56 2HD ARG 56 -5.979 -14.562 -5.464 453 HE ARG 56 HE ARG 56 -3.479 -14.961 -6.755 454 1HH1 ARG 56 2HH1 ARG 56 -6.310 -16.631 -5.607 455 2HH1 ARG 56 1HH1 ARG 56 -6.169 -17.926 -6.749 456 1HH2 ARG 56 2HH2 ARG 56 -3.282 -16.661 -8.263 457 2HH2 ARG 56 1HH2 ARG 56 -4.446 -17.943 -8.259 458 H GLN 57 H GLN 57 -1.858 -11.896 -1.101 459 HA GLN 57 HA GLN 57 -4.530 -12.227 0.098 460 1HB GLN 57 1HB GLN 57 -2.560 -13.988 0.420 461 2HB GLN 57 2HB GLN 57 -2.078 -12.849 1.671 462 1HG GLN 57 1HG GLN 57 -3.805 -13.379 3.013 463 2HG GLN 57 2HG GLN 57 -4.917 -13.626 1.668 464 1HE2 GLN 57 1HE2 GLN 57 -5.410 -15.437 3.278 465 2HE2 GLN 57 2HE2 GLN 57 -4.599 -16.936 2.996 466 H ILE 58 H ILE 58 -3.206 -9.745 -0.731 467 HA ILE 58 HA ILE 58 -2.704 -8.468 1.866 468 HB ILE 58 HB ILE 58 -2.151 -7.435 -0.918 469 1HG1 ILE 58 1HG1 ILE 58 -0.662 -9.269 -0.287 470 2HG1 ILE 58 2HG1 ILE 58 0.217 -7.744 -0.307 471 1HG2 ILE 58 1HG2 ILE 58 -2.309 -6.107 1.636 472 2HG2 ILE 58 2HG2 ILE 58 -0.690 -5.975 0.952 473 3HG2 ILE 58 3HG2 ILE 58 -2.086 -5.423 0.026 474 1HD1 ILE 58 1HD1 ILE 58 -0.836 -9.126 2.149 475 2HD1 ILE 58 2HD1 ILE 58 0.839 -9.125 1.598 476 3HD1 ILE 58 3HD1 ILE 58 0.080 -7.620 2.114 477 H ARG 59 H ARG 59 -4.084 -7.024 2.701 478 HA ARG 59 HA ARG 59 -6.041 -5.699 1.006 479 1HB ARG 59 1HB ARG 59 -6.819 -7.499 3.306 480 2HB ARG 59 2HB ARG 59 -7.911 -6.362 2.527 481 1HG ARG 59 1HG ARG 59 -8.468 -8.229 1.375 482 2HG ARG 59 2HG ARG 59 -7.130 -7.682 0.363 483 1HD ARG 59 1HD ARG 59 -6.508 -9.855 0.660 484 2HD ARG 59 2HD ARG 59 -5.724 -9.136 2.066 485 HE ARG 59 HE ARG 59 -7.172 -10.283 3.423 486 1HH1 ARG 59 2HH1 ARG 59 -8.354 -10.360 0.150 487 2HH1 ARG 59 1HH1 ARG 59 -9.607 -11.508 0.491 488 1HH2 ARG 59 2HH2 ARG 59 -8.817 -11.794 3.885 489 2HH2 ARG 59 1HH2 ARG 59 -9.870 -12.322 2.616 490 H PHE 60 H PHE 60 -5.372 -3.682 1.503 491 HA PHE 60 HA PHE 60 -4.563 -2.877 4.109 492 1HB PHE 60 1HB PHE 60 -5.047 -1.509 1.504 493 2HB PHE 60 2HB PHE 60 -4.996 -0.519 2.960 494 HD1 PHE 60 1HD PHE 60 -3.078 -2.541 0.630 495 HD2 PHE 60 2HD PHE 60 -2.944 -0.359 4.282 496 HE1 PHE 60 1HE PHE 60 -0.619 -2.541 0.536 497 HE2 PHE 60 2HE PHE 60 -0.485 -0.355 4.193 498 HZ PHE 60 HZ PHE 60 0.680 -1.446 2.318 499 H ARG 61 H ARG 61 -5.779 -2.341 5.791 500 HA ARG 61 HA ARG 61 -8.434 -1.191 5.347 501 1HB ARG 61 1HB ARG 61 -7.969 -3.439 7.308 502 2HB ARG 61 2HB ARG 61 -9.502 -2.680 6.901 503 1HG ARG 61 1HG ARG 61 -7.834 -4.211 4.923 504 2HG ARG 61 2HG ARG 61 -9.121 -4.935 5.890 505 1HD ARG 61 1HD ARG 61 -10.779 -3.836 4.756 506 2HD ARG 61 2HD ARG 61 -9.738 -2.477 4.335 507 HE ARG 61 HE ARG 61 -8.673 -4.489 2.903 508 1HH1 ARG 61 2HH1 ARG 61 -11.937 -3.336 3.269 509 2HH1 ARG 61 1HH1 ARG 61 -12.422 -3.809 1.674 510 1HH2 ARG 61 2HH2 ARG 61 -9.298 -5.115 0.801 511 2HH2 ARG 61 1HH2 ARG 61 -10.920 -4.821 0.271 512 H PHE 62 H PHE 62 -9.069 0.278 6.874 513 HA PHE 62 HA PHE 62 -7.123 0.837 9.015 514 1HB PHE 62 1HB PHE 62 -7.300 2.561 7.190 515 2HB PHE 62 2HB PHE 62 -8.965 2.834 7.692 516 HD1 PHE 62 1HD PHE 62 -9.300 4.680 8.995 517 HD2 PHE 62 2HD PHE 62 -5.618 2.573 9.330 518 HE1 PHE 62 1HE PHE 62 -8.528 6.304 10.674 519 HE2 PHE 62 2HE PHE 62 -4.840 4.192 11.011 520 HZ PHE 62 HZ PHE 62 -6.296 6.060 11.686 521 H ASP 63 H ASP 63 -8.006 1.833 10.970 522 HA ASP 63 HA ASP 63 -10.348 0.433 11.854 523 1HB ASP 63 1HB ASP 63 -8.347 2.258 13.127 524 2HB ASP 63 2HB ASP 63 -9.872 1.953 13.953 525 H GLY 64 H GLY 64 -11.457 1.725 9.935 526 1HA GLY 64 2HA GLY 64 -13.342 3.455 11.164 527 2HA GLY 64 3HA GLY 64 -12.205 4.386 10.201 528 H GLN 65 H GLN 65 -11.848 2.307 8.200 529 HA GLN 65 HA GLN 65 -14.304 1.532 7.063 530 1HB GLN 65 1HB GLN 65 -14.107 3.173 5.068 531 2HB GLN 65 2HB GLN 65 -14.870 3.729 6.552 532 1HG GLN 65 1HG GLN 65 -12.982 4.985 7.176 533 2HG GLN 65 2HG GLN 65 -11.965 4.197 5.970 534 1HE2 GLN 65 1HE2 GLN 65 -13.020 7.049 6.597 535 2HE2 GLN 65 2HE2 GLN 65 -13.453 7.645 5.035 536 HA PRO 66 HA PRO 66 -11.617 -0.857 4.552 537 1HB PRO 66 1HB PRO 66 -13.100 -1.197 2.303 538 2HB PRO 66 2HB PRO 66 -13.475 -2.001 3.832 539 1HG PRO 66 1HG PRO 66 -14.689 0.461 2.638 540 2HG PRO 66 2HG PRO 66 -15.487 -0.899 3.448 541 1HD PRO 66 1HD PRO 66 -14.999 1.454 4.694 542 2HD PRO 66 2HD PRO 66 -14.993 -0.100 5.552 543 H ILE 67 H ILE 67 -10.392 -0.908 2.541 544 HA ILE 67 HA ILE 67 -10.265 1.681 1.151 545 HB ILE 67 HB ILE 67 -7.824 0.101 1.953 546 1HG1 ILE 67 1HG1 ILE 67 -8.940 2.620 3.205 547 2HG1 ILE 67 2HG1 ILE 67 -8.975 1.019 3.938 548 1HG2 ILE 67 1HG2 ILE 67 -8.289 2.260 0.134 549 2HG2 ILE 67 2HG2 ILE 67 -7.244 2.805 1.445 550 3HG2 ILE 67 3HG2 ILE 67 -6.789 1.400 0.481 551 1HD1 ILE 67 1HD1 ILE 67 -6.299 1.735 3.156 552 2HD1 ILE 67 2HD1 ILE 67 -7.007 2.953 4.218 553 3HD1 ILE 67 3HD1 ILE 67 -6.928 1.270 4.737 554 H ASN 68 H ASN 68 -9.751 1.611 -1.014 555 HA ASN 68 HA ASN 68 -9.682 -1.081 -2.205 556 1HB ASN 68 1HB ASN 68 -10.479 1.437 -3.656 557 2HB ASN 68 2HB ASN 68 -10.824 -0.233 -4.094 558 1HD2 ASN 68 1HD2 ASN 68 -12.132 -1.439 -2.411 559 2HD2 ASN 68 2HD2 ASN 68 -13.464 -0.583 -1.719 560 H GLU 69 H GLU 69 -8.786 -0.741 -4.650 561 HA GLU 69 HA GLU 69 -6.012 0.004 -4.251 562 1HB GLU 69 1HB GLU 69 -5.617 -1.049 -6.409 563 2HB GLU 69 2HB GLU 69 -6.575 -2.108 -5.383 564 1HG GLU 69 1HG GLU 69 -8.561 -0.879 -6.658 565 2HG GLU 69 2HG GLU 69 -7.307 -0.715 -7.885 566 H THR 70 H THR 70 -8.845 1.302 -5.707 567 HA THR 70 HA THR 70 -7.303 3.237 -7.274 568 HB THR 70 HB THR 70 -9.215 2.115 -8.378 569 HG1 THR 70 1HG THR 70 -9.100 3.961 -9.412 570 1HG2 THR 70 1HG2 THR 70 -11.404 2.285 -7.667 571 2HG2 THR 70 2HG2 THR 70 -11.098 3.749 -6.734 572 3HG2 THR 70 3HG2 THR 70 -10.554 2.186 -6.126 573 H ASP 71 H ASP 71 -7.259 3.381 -4.404 574 HA ASP 71 HA ASP 71 -8.704 5.914 -3.973 575 1HB ASP 71 1HB ASP 71 -8.122 3.615 -2.150 576 2HB ASP 71 2HB ASP 71 -8.241 5.234 -1.466 577 H THR 72 H THR 72 -7.607 7.370 -2.360 578 HA THR 72 HA THR 72 -4.690 7.143 -2.375 579 HB THR 72 HB THR 72 -4.777 9.742 -2.894 580 HG1 THR 72 1HG THR 72 -6.985 9.950 -3.177 581 1HG2 THR 72 1HG2 THR 72 -3.790 9.207 -4.858 582 2HG2 THR 72 2HG2 THR 72 -5.120 8.165 -5.363 583 3HG2 THR 72 3HG2 THR 72 -3.908 7.562 -4.233 584 HA PRO 73 HA PRO 73 -4.901 8.793 1.686 585 1HB PRO 73 1HB PRO 73 -2.640 10.292 1.814 586 2HB PRO 73 2HB PRO 73 -2.622 8.524 1.806 587 1HG PRO 73 1HG PRO 73 -2.146 10.433 -0.450 588 2HG PRO 73 2HG PRO 73 -1.265 8.951 -0.034 589 1HD PRO 73 1HD PRO 73 -3.125 9.036 -2.000 590 2HD PRO 73 2HD PRO 73 -2.844 7.587 -1.013 591 H ALA 74 H ALA 74 -4.956 10.877 -1.027 592 HA ALA 74 HA ALA 74 -5.097 13.381 0.294 593 1HB ALA 74 1HB ALA 74 -5.586 14.299 -1.774 594 2HB ALA 74 2HB ALA 74 -4.686 12.845 -2.206 595 3HB ALA 74 3HB ALA 74 -6.446 12.861 -2.325 596 H GLN 75 H GLN 75 -7.608 11.185 -0.943 597 HA GLN 75 HA GLN 75 -9.619 12.745 0.523 598 1HB GLN 75 1HB GLN 75 -9.731 12.013 -2.037 599 2HB GLN 75 2HB GLN 75 -10.402 10.550 -1.329 600 1HG GLN 75 1HG GLN 75 -11.522 13.124 -0.403 601 2HG GLN 75 2HG GLN 75 -11.896 12.628 -2.052 602 1HE2 GLN 75 1HE2 GLN 75 -13.020 12.567 0.986 603 2HE2 GLN 75 2HE2 GLN 75 -13.990 11.139 0.931 604 H LEU 76 H LEU 76 -7.690 10.669 1.582 605 HA LEU 76 HA LEU 76 -9.696 8.851 2.745 606 1HB LEU 76 1HB LEU 76 -7.994 7.746 1.321 607 2HB LEU 76 2HB LEU 76 -6.742 8.352 2.403 608 HG LEU 76 HG LEU 76 -7.533 6.963 4.193 609 1HD1 LEU 76 1HD1 LEU 76 -9.417 5.382 3.814 610 2HD1 LEU 76 2HD1 LEU 76 -9.783 6.248 2.322 611 3HD1 LEU 76 3HD1 LEU 76 -9.900 7.077 3.874 612 1HD2 LEU 76 1HD2 LEU 76 -7.711 4.879 2.184 613 2HD2 LEU 76 2HD2 LEU 76 -6.468 5.175 3.399 614 3HD2 LEU 76 3HD2 LEU 76 -6.407 6.018 1.850 615 H GLU 77 H GLU 77 -7.157 11.129 3.328 616 HA GLU 77 HA GLU 77 -6.414 12.161 5.215 617 1HB GLU 77 1HB GLU 77 -8.755 10.937 6.665 618 2HB GLU 77 2HB GLU 77 -7.912 12.434 7.038 619 1HG GLU 77 1HG GLU 77 -8.737 13.229 4.740 620 2HG GLU 77 2HG GLU 77 -9.858 11.871 4.836 621 H MET 78 H MET 78 -5.265 9.713 4.613 622 HA MET 78 HA MET 78 -4.876 8.489 7.264 623 1HB MET 78 1HB MET 78 -3.997 6.518 5.991 624 2HB MET 78 2HB MET 78 -5.702 6.853 5.722 625 1HG MET 78 1HG MET 78 -5.395 7.426 3.554 626 2HG MET 78 2HG MET 78 -3.783 8.077 3.838 627 1HE MET 78 1HE MET 78 -4.578 6.722 1.433 628 2HE MET 78 2HE MET 78 -2.834 6.480 1.349 629 3HE MET 78 3HE MET 78 -3.926 5.111 1.135 630 H GLU 79 H GLU 79 -3.463 10.492 7.495 631 HA GLU 79 HA GLU 79 -0.743 9.808 6.606 632 1HB GLU 79 1HB GLU 79 -1.438 12.675 7.002 633 2HB GLU 79 2HB GLU 79 -0.256 11.945 5.924 634 1HG GLU 79 1HG GLU 79 -2.188 11.103 4.554 635 2HG GLU 79 2HG GLU 79 -3.231 12.118 5.548 636 H ASP 80 H ASP 80 0.645 11.763 7.945 637 HA ASP 80 HA ASP 80 1.555 12.276 9.966 638 1HB ASP 80 1HB ASP 80 -0.998 12.993 10.241 639 2HB ASP 80 2HB ASP 80 -0.973 11.696 11.433 640 H GLU 81 H GLU 81 2.010 9.735 9.107 641 HA GLU 81 HA GLU 81 2.801 7.725 9.823 642 1HB GLU 81 1HB GLU 81 3.514 9.375 11.777 643 2HB GLU 81 2HB GLU 81 2.354 8.418 12.688 644 1HG GLU 81 1HG GLU 81 3.664 6.391 11.757 645 2HG GLU 81 2HG GLU 81 4.932 7.574 11.442 646 H ASP 82 H ASP 82 0.195 7.736 9.080 647 HA ASP 82 HA ASP 82 -1.445 6.497 11.110 648 1HB ASP 82 1HB ASP 82 -1.967 7.905 8.774 649 2HB ASP 82 2HB ASP 82 -2.421 6.250 8.376 650 H THR 83 H THR 83 -1.418 4.411 11.587 651 HA THR 83 HA THR 83 -0.046 2.545 9.824 652 HB THR 83 HB THR 83 -1.274 1.882 12.496 653 HG1 THR 83 1HG THR 83 0.140 3.614 12.840 654 1HG2 THR 83 1HG2 THR 83 1.259 0.669 11.633 655 2HG2 THR 83 2HG2 THR 83 -0.131 0.269 10.624 656 3HG2 THR 83 3HG2 THR 83 -0.168 -0.076 12.352 657 H ILE 84 H ILE 84 -1.220 1.672 8.243 658 HA ILE 84 HA ILE 84 -4.070 1.209 8.600 659 HB ILE 84 HB ILE 84 -2.432 0.569 6.153 660 1HG1 ILE 84 1HG1 ILE 84 -2.064 2.913 6.689 661 2HG1 ILE 84 2HG1 ILE 84 -3.132 2.787 5.295 662 1HG2 ILE 84 1HG2 ILE 84 -5.342 0.817 6.771 663 2HG2 ILE 84 2HG2 ILE 84 -4.761 1.149 5.140 664 3HG2 ILE 84 3HG2 ILE 84 -4.489 -0.434 5.868 665 1HD1 ILE 84 1HD1 ILE 84 -3.863 4.521 6.835 666 2HD1 ILE 84 2HD1 ILE 84 -5.054 3.225 6.721 667 3HD1 ILE 84 3HD1 ILE 84 -3.994 3.328 8.127 668 H ASP 85 H ASP 85 -4.698 -0.612 9.541 669 HA ASP 85 HA ASP 85 -3.118 -2.886 9.928 670 1HB ASP 85 1HB ASP 85 -4.931 -2.661 11.396 671 2HB ASP 85 2HB ASP 85 -6.076 -2.383 10.086 672 H VAL 86 H VAL 86 -2.735 -4.682 8.767 673 HA VAL 86 HA VAL 86 -4.336 -5.192 6.364 674 HB VAL 86 HB VAL 86 -1.316 -5.102 6.404 675 1HG1 VAL 86 1HG1 VAL 86 -3.267 -6.010 4.302 676 2HG1 VAL 86 2HG1 VAL 86 -1.601 -5.560 3.933 677 3HG1 VAL 86 3HG1 VAL 86 -1.931 -6.914 5.014 678 1HG2 VAL 86 1HG2 VAL 86 -2.259 -3.495 4.358 679 2HG2 VAL 86 2HG2 VAL 86 -3.359 -3.165 5.696 680 3HG2 VAL 86 3HG2 VAL 86 -1.622 -2.947 5.909 681 H PHE 87 H PHE 87 -4.663 -7.315 5.911 682 HA PHE 87 HA PHE 87 -3.523 -9.241 7.814 683 1HB PHE 87 1HB PHE 87 -6.106 -8.841 7.374 684 2HB PHE 87 2HB PHE 87 -5.813 -9.939 6.030 685 HD1 PHE 87 1HD PHE 87 -6.071 -9.606 9.638 686 HD2 PHE 87 2HD PHE 87 -5.130 -12.250 6.438 687 HE1 PHE 87 1HE PHE 87 -6.269 -11.522 11.168 688 HE2 PHE 87 2HE PHE 87 -5.329 -14.171 7.963 689 HZ PHE 87 HZ PHE 87 -5.900 -13.809 10.331 690 H GLN 88 H GLN 88 -2.932 -11.365 7.034 691 HA GLN 88 HA GLN 88 -2.416 -11.608 4.176 692 1HB GLN 88 1HB GLN 88 -0.173 -12.040 6.141 693 2HB GLN 88 2HB GLN 88 -0.081 -11.984 4.385 694 1HG GLN 88 1HG GLN 88 -0.702 -9.590 4.476 695 2HG GLN 88 2HG GLN 88 -0.641 -9.679 6.235 696 1HE2 GLN 88 1HE2 GLN 88 1.362 -10.560 3.438 697 2HE2 GLN 88 2HE2 GLN 88 2.849 -9.994 4.110 698 H GLN 89 H GLN 89 -0.998 -13.841 4.006 699 HA GLN 89 HA GLN 89 -2.807 -15.883 4.574 700 1HB GLN 89 1HB GLN 89 -1.249 -17.357 3.659 701 2HB GLN 89 2HB GLN 89 -0.843 -15.825 2.897 702 1HG GLN 89 1HG GLN 89 0.610 -17.279 5.073 703 2HG GLN 89 2HG GLN 89 1.206 -16.759 3.497 704 1HE2 GLN 89 1HE2 GLN 89 1.491 -16.171 6.649 705 2HE2 GLN 89 2HE2 GLN 89 1.871 -14.486 6.629 706 H GLN 90 H GLN 90 -1.986 -17.961 5.791 707 HA GLN 90 HA GLN 90 -1.099 -17.107 8.468 708 1HB GLN 90 1HB GLN 90 -2.458 -19.124 9.261 709 2HB GLN 90 2HB GLN 90 -3.356 -17.710 8.726 710 1HG GLN 90 1HG GLN 90 -4.132 -18.741 6.838 711 2HG GLN 90 2HG GLN 90 -2.770 -19.857 6.755 712 1HE2 GLN 90 1HE2 GLN 90 -5.651 -20.364 6.627 713 2HE2 GLN 90 2HE2 GLN 90 -5.988 -21.491 7.892 714 H THR 91 H THR 91 -0.856 -19.480 5.923 715 HA THR 91 HA THR 91 1.414 -20.703 7.351 716 HB THR 91 HB THR 91 0.880 -22.832 6.140 717 HG1 THR 91 1HG THR 91 -0.578 -21.606 4.616 718 1HG2 THR 91 1HG2 THR 91 -1.503 -22.891 7.553 719 2HG2 THR 91 2HG2 THR 91 -0.559 -21.644 8.367 720 3HG2 THR 91 3HG2 THR 91 0.097 -23.270 8.189 721 H GLY 92 H GLY 92 1.902 -18.567 5.763 722 1HA GLY 92 2HA GLY 92 3.340 -19.815 3.532 723 2HA GLY 92 3HA GLY 92 2.272 -18.464 3.178 724 H GLY 93 H GLY 93 2.805 -16.908 5.482 725 1HA GLY 93 2HA GLY 93 5.473 -15.937 4.747 726 2HA GLY 93 3HA GLY 93 4.231 -15.011 5.577 727 H VAL 94 H VAL 94 5.419 -14.364 7.321 728 HA VAL 94 HA VAL 94 5.904 -16.383 9.344 729 HB VAL 94 HB VAL 94 8.214 -15.443 9.806 730 1HG1 VAL 94 1HG1 VAL 94 9.178 -17.147 8.637 731 2HG1 VAL 94 2HG1 VAL 94 7.484 -17.616 8.475 732 3HG1 VAL 94 3HG1 VAL 94 8.298 -16.776 7.154 733 1HG2 VAL 94 1HG2 VAL 94 8.672 -14.752 7.026 734 2HG2 VAL 94 2HG2 VAL 94 7.529 -13.658 7.805 735 3HG2 VAL 94 3HG2 VAL 94 9.136 -13.892 8.494 736 H TYR 95 H TYR 95 4.868 -15.582 11.042 737 HA TYR 95 HA TYR 95 5.085 -12.693 11.587 738 1HB TYR 95 1HB TYR 95 2.806 -13.182 11.063 739 2HB TYR 95 2HB TYR 95 2.806 -14.606 12.098 740 HD1 TYR 95 1HD TYR 95 1.288 -14.248 13.807 741 HD2 TYR 95 2HD TYR 95 3.924 -11.093 12.709 742 HE1 TYR 95 1HE TYR 95 0.434 -12.893 15.674 743 HE2 TYR 95 2HE TYR 95 3.078 -9.730 14.573 744 HH TYR 95 HH TYR 95 1.931 -9.902 16.608 Start of MODEL 2 1 1H MET 1 1H MET 1 -8.916 -2.655 -13.738 2 HA MET 1 HA MET 1 -7.618 -2.275 -16.319 3 1HB MET 1 1HB MET 1 -8.301 -0.534 -14.007 4 2HB MET 1 2HB MET 1 -6.902 -0.081 -14.972 5 1HG MET 1 1HG MET 1 -9.635 -0.589 -16.117 6 2HG MET 1 2HG MET 1 -9.040 1.001 -15.646 7 1HE MET 1 1HE MET 1 -8.882 -1.584 -18.895 8 2HE MET 1 2HE MET 1 -10.144 -0.583 -18.175 9 3HE MET 1 3HE MET 1 -9.271 -0.014 -19.598 10 H ALA 2 H ALA 2 -5.419 -2.144 -16.626 11 HA ALA 2 HA ALA 2 -3.783 -3.226 -14.438 12 1HB ALA 2 1HB ALA 2 -3.283 -3.186 -17.412 13 2HB ALA 2 2HB ALA 2 -2.179 -3.849 -16.206 14 3HB ALA 2 3HB ALA 2 -3.768 -4.577 -16.442 15 H ASP 3 H ASP 3 -1.319 -2.526 -14.915 16 HA ASP 3 HA ASP 3 -0.961 0.197 -15.710 17 1HB ASP 3 1HB ASP 3 -2.028 0.128 -13.285 18 2HB ASP 3 2HB ASP 3 -0.363 -0.201 -12.812 19 H GLU 4 H GLU 4 1.332 0.946 -14.829 20 HA GLU 4 HA GLU 4 3.175 -1.043 -15.775 21 1HB GLU 4 1HB GLU 4 3.829 1.644 -14.564 22 2HB GLU 4 2HB GLU 4 4.850 0.672 -15.614 23 1HG GLU 4 1HG GLU 4 2.896 0.949 -17.310 24 2HG GLU 4 2HG GLU 4 2.464 2.322 -16.293 25 H LYS 5 H LYS 5 5.205 -1.530 -14.578 26 HA LYS 5 HA LYS 5 4.667 -1.847 -11.697 27 1HB LYS 5 1HB LYS 5 6.082 -3.722 -13.597 28 2HB LYS 5 2HB LYS 5 6.083 -3.916 -11.849 29 1HG LYS 5 1HG LYS 5 4.362 -5.297 -12.371 30 2HG LYS 5 2HG LYS 5 3.464 -3.788 -12.197 31 1HD LYS 5 1HD LYS 5 2.652 -4.466 -14.218 32 2HD LYS 5 2HD LYS 5 4.068 -3.570 -14.771 33 1HE LYS 5 1HE LYS 5 4.084 -5.630 -15.935 34 2HE LYS 5 2HE LYS 5 5.330 -5.752 -14.694 35 1HZ LYS 5 1HZ LYS 5 3.922 -7.751 -14.881 36 2HZ LYS 5 2HZ LYS 5 2.580 -6.834 -14.413 37 3HZ LYS 5 3HZ LYS 5 3.870 -7.054 -13.341 38 HA PRO 6 HA PRO 6 8.539 0.670 -12.263 39 1HB PRO 6 1HB PRO 6 7.876 2.546 -10.417 40 2HB PRO 6 2HB PRO 6 7.381 2.648 -12.111 41 1HG PRO 6 1HG PRO 6 5.822 1.705 -9.736 42 2HG PRO 6 2HG PRO 6 5.301 2.744 -11.075 43 1HD PRO 6 1HD PRO 6 4.695 0.108 -10.957 44 2HD PRO 6 2HD PRO 6 4.956 0.960 -12.492 45 H LYS 7 H LYS 7 10.286 0.080 -11.150 46 HA LYS 7 HA LYS 7 9.939 -0.809 -8.362 47 1HB LYS 7 1HB LYS 7 11.987 -1.686 -10.406 48 2HB LYS 7 2HB LYS 7 11.945 -2.218 -8.730 49 1HG LYS 7 1HG LYS 7 9.802 -2.709 -10.789 50 2HG LYS 7 2HG LYS 7 10.988 -3.886 -10.220 51 1HD LYS 7 1HD LYS 7 9.992 -3.214 -7.864 52 2HD LYS 7 2HD LYS 7 8.593 -2.775 -8.846 53 1HE LYS 7 1HE LYS 7 8.362 -4.981 -9.666 54 2HE LYS 7 2HE LYS 7 9.948 -5.452 -9.057 55 1HZ LYS 7 1HZ LYS 7 9.035 -5.030 -6.781 56 2HZ LYS 7 2HZ LYS 7 8.350 -6.347 -7.590 57 3HZ LYS 7 3HZ LYS 7 7.502 -4.888 -7.481 58 H GLU 8 H GLU 8 12.100 0.881 -10.601 59 HA GLU 8 HA GLU 8 13.873 1.755 -8.518 60 1HB GLU 8 1HB GLU 8 13.658 2.876 -11.311 61 2HB GLU 8 2HB GLU 8 15.044 2.946 -10.231 62 1HG GLU 8 1HG GLU 8 14.922 0.347 -10.365 63 2HG GLU 8 2HG GLU 8 14.009 0.662 -11.840 64 H GLY 9 H GLY 9 12.861 2.996 -7.010 65 1HA GLY 9 2HA GLY 9 11.193 5.232 -7.898 66 2HA GLY 9 3HA GLY 9 11.346 4.644 -6.248 67 H VAL 10 H VAL 10 13.267 6.201 -8.809 68 HA VAL 10 HA VAL 10 14.613 7.763 -6.700 69 HB VAL 10 HB VAL 10 16.556 7.953 -8.170 70 1HG1 VAL 10 1HG1 VAL 10 16.079 5.027 -8.161 71 2HG1 VAL 10 2HG1 VAL 10 17.455 5.955 -7.561 72 3HG1 VAL 10 3HG1 VAL 10 15.966 5.873 -6.618 73 1HG2 VAL 10 1HG2 VAL 10 14.757 7.167 -10.167 74 2HG2 VAL 10 2HG2 VAL 10 16.479 7.505 -10.347 75 3HG2 VAL 10 3HG2 VAL 10 15.931 5.857 -10.037 76 H LYS 11 H LYS 11 12.165 8.570 -7.798 77 HA LYS 11 HA LYS 11 12.936 11.141 -8.873 78 1HB LYS 11 1HB LYS 11 11.376 10.989 -10.799 79 2HB LYS 11 2HB LYS 11 12.747 9.895 -10.933 80 1HG LYS 11 1HG LYS 11 11.093 8.183 -9.840 81 2HG LYS 11 2HG LYS 11 9.871 9.286 -10.476 82 1HD LYS 11 1HD LYS 11 10.201 7.672 -12.162 83 2HD LYS 11 2HD LYS 11 11.082 9.102 -12.703 84 1HE LYS 11 1HE LYS 11 13.169 8.144 -11.927 85 2HE LYS 11 2HE LYS 11 12.313 6.747 -11.276 86 1HZ LYS 11 1HZ LYS 11 11.544 6.333 -13.617 87 2HZ LYS 11 2HZ LYS 11 13.195 6.088 -13.340 88 3HZ LYS 11 3HZ LYS 11 12.668 7.493 -14.120 89 H THR 12 H THR 12 11.359 12.734 -8.594 90 HA THR 12 HA THR 12 8.754 12.015 -7.550 91 HB THR 12 HB THR 12 9.204 13.676 -5.573 92 HG1 THR 12 1HG THR 12 11.334 13.651 -4.866 93 1HG2 THR 12 1HG2 THR 12 10.364 10.894 -5.428 94 2HG2 THR 12 2HG2 THR 12 8.634 11.237 -5.430 95 3HG2 THR 12 3HG2 THR 12 9.648 11.830 -4.116 96 H GLU 13 H GLU 13 7.264 13.731 -7.573 97 HA GLU 13 HA GLU 13 8.183 16.090 -9.079 98 1HB GLU 13 1HB GLU 13 5.912 16.266 -9.961 99 2HB GLU 13 2HB GLU 13 6.596 14.686 -10.313 100 1HG GLU 13 1HG GLU 13 5.193 13.598 -8.857 101 2HG GLU 13 2HG GLU 13 4.925 15.036 -7.873 102 H ASN 14 H ASN 14 6.219 17.848 -8.782 103 HA ASN 14 HA ASN 14 6.352 18.497 -5.937 104 1HB ASN 14 1HB ASN 14 5.433 20.232 -8.239 105 2HB ASN 14 2HB ASN 14 5.777 20.761 -6.595 106 1HD2 ASN 14 1HD2 ASN 14 7.895 20.963 -5.919 107 2HD2 ASN 14 2HD2 ASN 14 9.225 20.956 -7.021 108 H ASN 15 H ASN 15 4.737 17.385 -4.936 109 HA ASN 15 HA ASN 15 2.044 18.319 -5.385 110 1HB ASN 15 1HB ASN 15 2.926 15.763 -6.433 111 2HB ASN 15 2HB ASN 15 1.634 15.554 -5.255 112 1HD2 ASN 15 1HD2 ASN 15 1.584 15.100 -8.111 113 2HD2 ASN 15 2HD2 ASN 15 0.345 16.122 -8.748 114 H ASP 16 H ASP 16 3.289 15.349 -3.884 115 HA ASP 16 HA ASP 16 3.255 16.418 -1.239 116 1HB ASP 16 1HB ASP 16 0.855 15.016 -2.275 117 2HB ASP 16 2HB ASP 16 1.402 14.549 -0.667 118 H HIS 17 H HIS 17 3.607 14.664 0.410 119 HA HIS 17 HA HIS 17 4.482 12.096 -0.530 120 1HB HIS 17 1HB HIS 17 6.843 12.483 0.419 121 2HB HIS 17 2HB HIS 17 6.484 13.144 -1.173 122 HD1 HIS 17 1HD HIS 17 7.235 14.153 2.340 123 HD2 HIS 17 2HD HIS 17 6.413 15.946 -1.317 124 HE1 HIS 17 1HE HIS 17 7.810 16.583 2.638 125 H ILE 18 H ILE 18 3.391 11.000 0.993 126 HA ILE 18 HA ILE 18 3.801 11.763 3.808 127 HB ILE 18 HB ILE 18 1.731 10.716 4.361 128 1HG1 ILE 18 1HG1 ILE 18 1.627 9.796 1.480 129 2HG1 ILE 18 2HG1 ILE 18 1.886 8.771 2.887 130 1HG2 ILE 18 1HG2 ILE 18 1.409 12.341 1.841 131 2HG2 ILE 18 2HG2 ILE 18 0.134 12.010 3.012 132 3HG2 ILE 18 3HG2 ILE 18 1.537 12.968 3.484 133 1HD1 ILE 18 1HD1 ILE 18 -0.612 10.227 2.088 134 2HD1 ILE 18 2HD1 ILE 18 -0.362 8.490 2.264 135 3HD1 ILE 18 3HD1 ILE 18 -0.382 9.527 3.690 136 H ASN 19 H ASN 19 3.212 9.592 5.186 137 HA ASN 19 HA ASN 19 4.974 7.472 4.146 138 1HB ASN 19 1HB ASN 19 5.687 9.085 6.188 139 2HB ASN 19 2HB ASN 19 4.821 7.841 7.084 140 1HD2 ASN 19 1HD2 ASN 19 5.579 5.699 7.014 141 2HD2 ASN 19 2HD2 ASN 19 7.215 5.342 6.585 142 H LEU 20 H LEU 20 4.296 5.400 4.385 143 HA LEU 20 HA LEU 20 1.942 4.865 6.042 144 1HB LEU 20 1HB LEU 20 2.208 4.118 3.134 145 2HB LEU 20 2HB LEU 20 0.944 3.531 4.213 146 HG LEU 20 HG LEU 20 1.359 6.407 3.397 147 1HD1 LEU 20 1HD1 LEU 20 -0.826 4.493 2.598 148 2HD1 LEU 20 2HD1 LEU 20 0.559 4.902 1.587 149 3HD1 LEU 20 3HD1 LEU 20 -0.599 6.152 2.042 150 1HD2 LEU 20 1HD2 LEU 20 0.000 5.278 5.609 151 2HD2 LEU 20 2HD2 LEU 20 -1.218 5.849 4.467 152 3HD2 LEU 20 3HD2 LEU 20 0.014 6.958 5.071 153 H LYS 21 H LYS 21 1.633 2.611 6.536 154 HA LYS 21 HA LYS 21 3.975 0.910 6.027 155 1HB LYS 21 1HB LYS 21 2.810 1.722 8.653 156 2HB LYS 21 2HB LYS 21 3.448 0.091 8.492 157 1HG LYS 21 1HG LYS 21 5.618 0.838 8.137 158 2HG LYS 21 2HG LYS 21 5.088 2.460 7.685 159 1HD LYS 21 1HD LYS 21 5.996 2.674 9.850 160 2HD LYS 21 2HD LYS 21 4.245 2.688 10.072 161 1HE LYS 21 1HE LYS 21 4.271 0.367 10.736 162 2HE LYS 21 2HE LYS 21 5.995 0.252 10.388 163 1HZ LYS 21 1HZ LYS 21 5.356 2.363 12.222 164 2HZ LYS 21 2HZ LYS 21 6.510 1.133 12.352 165 3HZ LYS 21 3HZ LYS 21 4.906 0.839 12.802 166 H VAL 22 H VAL 22 3.224 -0.755 4.896 167 HA VAL 22 HA VAL 22 0.504 -1.708 5.287 168 HB VAL 22 HB VAL 22 2.579 -2.757 3.361 169 1HG1 VAL 22 1HG1 VAL 22 0.138 -3.806 4.093 170 2HG1 VAL 22 2HG1 VAL 22 -0.227 -2.916 2.614 171 3HG1 VAL 22 3HG1 VAL 22 1.019 -4.164 2.608 172 1HG2 VAL 22 1HG2 VAL 22 0.526 -0.579 3.004 173 2HG2 VAL 22 2HG2 VAL 22 2.279 -0.428 2.882 174 3HG2 VAL 22 3HG2 VAL 22 1.387 -1.355 1.675 175 H ALA 23 H ALA 23 0.580 -2.706 7.303 176 HA ALA 23 HA ALA 23 2.181 -5.180 7.405 177 1HB ALA 23 1HB ALA 23 2.200 -2.996 9.204 178 2HB ALA 23 2HB ALA 23 1.456 -4.364 10.033 179 3HB ALA 23 3HB ALA 23 3.066 -4.527 9.330 180 H GLY 24 H GLY 24 1.170 -7.043 8.039 181 1HA GLY 24 2HA GLY 24 -1.760 -6.873 8.261 182 2HA GLY 24 3HA GLY 24 -0.859 -8.284 7.725 183 H GLN 25 H GLN 25 -2.897 -7.888 9.878 184 HA GLN 25 HA GLN 25 -1.733 -8.020 12.415 185 1HB GLN 25 1HB GLN 25 -3.824 -8.812 13.199 186 2HB GLN 25 2HB GLN 25 -4.187 -7.740 11.852 187 1HG GLN 25 1HG GLN 25 -4.158 -9.943 10.460 188 2HG GLN 25 2HG GLN 25 -4.414 -10.705 12.029 189 1HE2 GLN 25 1HE2 GLN 25 -5.899 -9.362 9.388 190 2HE2 GLN 25 2HE2 GLN 25 -7.465 -9.085 10.062 191 H ASP 26 H ASP 26 -1.764 -10.304 9.870 192 HA ASP 26 HA ASP 26 -1.383 -12.631 11.521 193 1HB ASP 26 1HB ASP 26 -0.986 -12.229 8.548 194 2HB ASP 26 2HB ASP 26 -0.928 -13.783 9.376 195 H GLY 27 H GLY 27 0.741 -11.382 8.948 196 1HA GLY 27 2HA GLY 27 2.995 -11.124 10.701 197 2HA GLY 27 3HA GLY 27 3.072 -12.590 9.734 198 H SER 28 H SER 28 2.068 -9.235 9.064 199 HA SER 28 HA SER 28 4.088 -9.156 6.926 200 1HB SER 28 1HB SER 28 1.156 -8.565 6.759 201 2HB SER 28 2HB SER 28 2.276 -7.670 5.731 202 HG SER 28 HG SER 28 1.715 -10.429 5.772 203 H VAL 29 H VAL 29 4.905 -7.082 6.410 204 HA VAL 29 HA VAL 29 4.083 -4.681 7.609 205 HB VAL 29 HB VAL 29 4.792 -5.579 9.715 206 1HG1 VAL 29 1HG1 VAL 29 6.373 -7.130 9.847 207 2HG1 VAL 29 2HG1 VAL 29 6.772 -6.883 8.146 208 3HG1 VAL 29 3HG1 VAL 29 7.585 -5.934 9.390 209 1HG2 VAL 29 1HG2 VAL 29 6.505 -3.974 10.360 210 2HG2 VAL 29 2HG2 VAL 29 6.918 -3.712 8.665 211 3HG2 VAL 29 3HG2 VAL 29 5.335 -3.227 9.271 212 H VAL 30 H VAL 30 4.665 -3.378 6.005 213 HA VAL 30 HA VAL 30 7.466 -3.215 5.244 214 HB VAL 30 HB VAL 30 5.312 -3.671 3.174 215 1HG1 VAL 30 1HG1 VAL 30 7.200 -3.645 1.574 216 2HG1 VAL 30 2HG1 VAL 30 6.949 -2.091 2.371 217 3HG1 VAL 30 3HG1 VAL 30 8.267 -3.144 2.885 218 1HG2 VAL 30 1HG2 VAL 30 5.879 -5.746 4.245 219 2HG2 VAL 30 2HG2 VAL 30 6.627 -5.715 2.648 220 3HG2 VAL 30 3HG2 VAL 30 7.603 -5.408 4.085 221 H GLN 31 H GLN 31 7.880 -1.136 5.596 222 HA GLN 31 HA GLN 31 5.860 0.891 5.388 223 1HB GLN 31 1HB GLN 31 7.709 2.442 5.971 224 2HB GLN 31 2HB GLN 31 7.549 1.103 7.099 225 1HG GLN 31 1HG GLN 31 9.426 -0.025 6.092 226 2HG GLN 31 2HG GLN 31 9.550 1.226 4.856 227 1HE2 GLN 31 1HE2 GLN 31 9.830 0.595 8.302 228 2HE2 GLN 31 2HE2 GLN 31 10.924 1.889 8.638 229 H PHE 32 H PHE 32 5.617 2.463 3.853 230 HA PHE 32 HA PHE 32 7.497 2.653 1.650 231 1HB PHE 32 1HB PHE 32 5.087 1.107 1.448 232 2HB PHE 32 2HB PHE 32 4.968 2.508 0.388 233 HD1 PHE 32 1HD PHE 32 6.720 -0.620 1.058 234 HD2 PHE 32 2HD PHE 32 6.478 2.783 -1.487 235 HE1 PHE 32 1HE PHE 32 8.121 -1.770 -0.607 236 HE2 PHE 32 2HE PHE 32 7.877 1.638 -3.156 237 HZ PHE 32 HZ PHE 32 8.700 -0.641 -2.718 238 H LYS 33 H LYS 33 6.975 4.453 0.184 239 HA LYS 33 HA LYS 33 5.452 6.552 1.584 240 1HB LYS 33 1HB LYS 33 6.966 8.177 0.514 241 2HB LYS 33 2HB LYS 33 7.832 7.047 1.547 242 1HG LYS 33 1HG LYS 33 8.185 5.721 -0.664 243 2HG LYS 33 2HG LYS 33 7.823 7.271 -1.427 244 1HD LYS 33 1HD LYS 33 9.606 8.295 -0.005 245 2HD LYS 33 2HD LYS 33 10.028 6.671 0.542 246 1HE LYS 33 1HE LYS 33 10.132 7.718 -2.284 247 2HE LYS 33 2HE LYS 33 11.506 7.329 -1.250 248 1HZ LYS 33 1HZ LYS 33 10.231 5.012 -1.218 249 2HZ LYS 33 2HZ LYS 33 11.392 5.400 -2.384 250 3HZ LYS 33 3HZ LYS 33 9.747 5.557 -2.744 251 H ILE 34 H ILE 34 4.203 7.992 0.347 252 HA ILE 34 HA ILE 34 3.946 7.613 -2.502 253 HB ILE 34 HB ILE 34 2.501 5.825 -1.302 254 1HG1 ILE 34 1HG1 ILE 34 0.704 6.114 -3.018 255 2HG1 ILE 34 2HG1 ILE 34 1.370 7.701 -3.389 256 1HG2 ILE 34 1HG2 ILE 34 0.562 6.429 -0.260 257 2HG2 ILE 34 2HG2 ILE 34 1.571 7.809 0.171 258 3HG2 ILE 34 3HG2 ILE 34 0.419 7.940 -1.158 259 1HD1 ILE 34 1HD1 ILE 34 3.359 5.585 -3.492 260 2HD1 ILE 34 2HD1 ILE 34 2.027 5.348 -4.624 261 3HD1 ILE 34 3HD1 ILE 34 2.969 6.838 -4.669 262 H LYS 35 H LYS 35 2.579 9.197 -3.505 263 HA LYS 35 HA LYS 35 2.694 11.732 -2.206 264 1HB LYS 35 1HB LYS 35 1.466 10.838 -4.816 265 2HB LYS 35 2HB LYS 35 1.466 12.511 -4.276 266 1HG LYS 35 1HG LYS 35 3.364 12.644 -5.452 267 2HG LYS 35 2HG LYS 35 4.090 11.900 -4.026 268 1HD LYS 35 1HD LYS 35 4.831 10.677 -5.939 269 2HD LYS 35 2HD LYS 35 3.665 9.668 -5.079 270 1HE LYS 35 1HE LYS 35 2.795 9.413 -7.148 271 2HE LYS 35 2HE LYS 35 2.006 10.942 -6.762 272 1HZ LYS 35 1HZ LYS 35 3.366 10.605 -8.973 273 2HZ LYS 35 2HZ LYS 35 4.661 11.053 -7.981 274 3HZ LYS 35 3HZ LYS 35 3.341 12.094 -8.170 275 H ARG 36 H ARG 36 0.504 13.130 -2.706 276 HA ARG 36 HA ARG 36 -1.329 12.234 -0.719 277 1HB ARG 36 1HB ARG 36 -1.008 14.578 -0.891 278 2HB ARG 36 2HB ARG 36 -1.321 14.570 -2.621 279 1HG ARG 36 1HG ARG 36 -3.656 14.079 -2.231 280 2HG ARG 36 2HG ARG 36 -3.366 13.972 -0.494 281 1HD ARG 36 1HD ARG 36 -2.929 16.433 -2.183 282 2HD ARG 36 2HD ARG 36 -4.345 16.134 -1.174 283 HE ARG 36 HE ARG 36 -2.046 15.905 0.412 284 1HH1 ARG 36 2HH1 ARG 36 -3.864 18.320 -1.316 285 2HH1 ARG 36 1HH1 ARG 36 -3.401 19.612 -0.259 286 1HH2 ARG 36 2HH2 ARG 36 -1.429 17.598 1.811 287 2HH2 ARG 36 1HH2 ARG 36 -2.016 19.201 1.519 288 H HIS 37 H HIS 37 -1.694 12.816 -4.219 289 HA HIS 37 HA HIS 37 -4.069 11.081 -4.178 290 1HB HIS 37 1HB HIS 37 -4.511 12.157 -6.451 291 2HB HIS 37 2HB HIS 37 -4.689 13.194 -5.039 292 HD1 HIS 37 1HD HIS 37 -2.766 12.800 -8.164 293 HD2 HIS 37 2HD HIS 37 -2.599 15.121 -4.722 294 HE1 HIS 37 1HE HIS 37 -1.181 14.679 -8.696 295 H THR 38 H THR 38 -2.896 9.128 -4.263 296 HA THR 38 HA THR 38 -1.835 8.527 -6.935 297 HB THR 38 HB THR 38 -0.501 7.941 -4.302 298 HG1 THR 38 1HG THR 38 0.426 8.982 -6.792 299 1HG2 THR 38 1HG2 THR 38 -0.523 6.305 -6.759 300 2HG2 THR 38 2HG2 THR 38 -0.167 5.846 -5.094 301 3HG2 THR 38 3HG2 THR 38 1.067 6.638 -6.073 302 HA PRO 39 HA PRO 39 -4.723 5.186 -6.556 303 1HB PRO 39 1HB PRO 39 -3.981 3.856 -8.803 304 2HB PRO 39 2HB PRO 39 -4.947 5.336 -8.838 305 1HG PRO 39 1HG PRO 39 -2.007 4.981 -9.280 306 2HG PRO 39 2HG PRO 39 -3.160 5.986 -10.177 307 1HD PRO 39 1HD PRO 39 -1.492 7.004 -8.303 308 2HD PRO 39 2HD PRO 39 -3.110 7.670 -8.605 309 H LEU 40 H LEU 40 -4.410 3.654 -5.069 310 HA LEU 40 HA LEU 40 -2.025 2.482 -4.328 311 1HB LEU 40 1HB LEU 40 -4.785 1.277 -4.171 312 2HB LEU 40 2HB LEU 40 -3.377 0.733 -3.260 313 HG LEU 40 HG LEU 40 -4.346 3.549 -2.969 314 1HD1 LEU 40 1HD1 LEU 40 -6.215 1.765 -2.687 315 2HD1 LEU 40 2HD1 LEU 40 -6.003 3.013 -1.459 316 3HD1 LEU 40 3HD1 LEU 40 -5.375 1.388 -1.183 317 1HD2 LEU 40 1HD2 LEU 40 -3.145 1.681 -0.941 318 2HD2 LEU 40 2HD2 LEU 40 -3.273 3.439 -0.869 319 3HD2 LEU 40 3HD2 LEU 40 -2.167 2.681 -2.016 320 H SER 41 H SER 41 -4.012 1.792 -7.053 321 HA SER 41 HA SER 41 -3.526 -0.832 -7.646 322 1HB SER 41 1HB SER 41 -3.679 -0.187 -10.040 323 2HB SER 41 2HB SER 41 -4.929 0.575 -9.057 324 HG SER 41 HG SER 41 -3.373 1.812 -10.658 325 H LYS 42 H LYS 42 -1.487 1.870 -8.777 326 HA LYS 42 HA LYS 42 0.558 0.401 -9.897 327 1HB LYS 42 1HB LYS 42 2.009 2.377 -9.421 328 2HB LYS 42 2HB LYS 42 0.477 2.784 -10.184 329 1HG LYS 42 1HG LYS 42 -0.233 3.972 -8.419 330 2HG LYS 42 2HG LYS 42 0.450 2.841 -7.249 331 1HD LYS 42 1HD LYS 42 1.712 4.773 -6.935 332 2HD LYS 42 2HD LYS 42 2.729 3.788 -7.989 333 1HE LYS 42 1HE LYS 42 1.929 5.035 -9.931 334 2HE LYS 42 2HE LYS 42 0.892 6.007 -8.887 335 1HZ LYS 42 1HZ LYS 42 3.506 6.107 -7.886 336 2HZ LYS 42 2HZ LYS 42 2.582 7.368 -8.532 337 3HZ LYS 42 3HZ LYS 42 3.573 6.442 -9.543 338 H LEU 43 H LEU 43 -0.118 1.002 -6.533 339 HA LEU 43 HA LEU 43 2.439 0.185 -5.552 340 1HB LEU 43 1HB LEU 43 0.480 1.576 -4.448 341 2HB LEU 43 2HB LEU 43 -0.009 -0.017 -3.875 342 HG LEU 43 HG LEU 43 1.256 0.994 -2.142 343 1HD1 LEU 43 1HD1 LEU 43 2.826 -0.650 -1.733 344 2HD1 LEU 43 2HD1 LEU 43 3.318 -0.749 -3.424 345 3HD1 LEU 43 3HD1 LEU 43 1.771 -1.427 -2.914 346 1HD2 LEU 43 1HD2 LEU 43 3.224 2.168 -2.377 347 2HD2 LEU 43 2HD2 LEU 43 2.382 2.590 -3.869 348 3HD2 LEU 43 3HD2 LEU 43 3.651 1.363 -3.887 349 H MET 44 H MET 44 -0.762 -1.366 -5.236 350 HA MET 44 HA MET 44 0.099 -3.824 -4.318 351 1HB MET 44 1HB MET 44 -2.026 -4.726 -5.294 352 2HB MET 44 2HB MET 44 -2.235 -3.297 -4.290 353 1HG MET 44 1HG MET 44 -2.294 -1.925 -6.359 354 2HG MET 44 2HG MET 44 -2.250 -3.417 -7.295 355 1HE MET 44 1HE MET 44 -3.729 -5.394 -6.441 356 2HE MET 44 2HE MET 44 -5.466 -5.211 -6.194 357 3HE MET 44 3HE MET 44 -4.759 -4.869 -7.774 358 H LYS 45 H LYS 45 -0.326 -2.755 -7.673 359 HA LYS 45 HA LYS 45 0.171 -5.110 -9.013 360 1HB LYS 45 1HB LYS 45 -0.315 -2.633 -9.835 361 2HB LYS 45 2HB LYS 45 1.429 -2.616 -10.060 362 1HG LYS 45 1HG LYS 45 1.364 -4.086 -11.786 363 2HG LYS 45 2HG LYS 45 -0.053 -4.931 -11.159 364 1HD LYS 45 1HD LYS 45 -0.252 -2.124 -12.199 365 2HD LYS 45 2HD LYS 45 -0.315 -3.510 -13.291 366 1HE LYS 45 1HE LYS 45 -2.092 -3.327 -10.880 367 2HE LYS 45 2HE LYS 45 -2.531 -2.560 -12.405 368 1HZ LYS 45 1HZ LYS 45 -1.989 -4.932 -13.329 369 2HZ LYS 45 2HZ LYS 45 -3.504 -4.588 -12.661 370 3HZ LYS 45 3HZ LYS 45 -2.342 -5.407 -11.745 371 H ALA 46 H ALA 46 2.596 -2.662 -8.088 372 HA ALA 46 HA ALA 46 4.846 -4.093 -8.938 373 1HB ALA 46 1HB ALA 46 4.987 -2.284 -6.565 374 2HB ALA 46 2HB ALA 46 6.117 -2.467 -7.908 375 3HB ALA 46 3HB ALA 46 4.587 -1.624 -8.152 376 H TYR 47 H TYR 47 3.141 -4.083 -5.844 377 HA TYR 47 HA TYR 47 4.899 -5.489 -4.262 378 1HB TYR 47 1HB TYR 47 2.363 -4.583 -3.938 379 2HB TYR 47 2HB TYR 47 2.073 -6.317 -4.011 380 HD1 TYR 47 1HD TYR 47 1.902 -4.143 -1.671 381 HD2 TYR 47 2HD TYR 47 4.621 -7.250 -2.699 382 HE1 TYR 47 1HE TYR 47 2.555 -4.346 0.692 383 HE2 TYR 47 2HE TYR 47 5.281 -7.462 -0.340 384 HH TYR 47 HH TYR 47 3.697 -6.593 2.099 385 H CYS 48 H CYS 48 2.234 -6.941 -6.142 386 HA CYS 48 HA CYS 48 2.822 -9.596 -5.721 387 1HB CYS 48 1HB CYS 48 0.792 -8.959 -6.845 388 2HB CYS 48 2HB CYS 48 1.694 -8.255 -8.182 389 HG CYS 48 HG CYS 48 2.810 -10.909 -8.776 390 H GLU 49 H GLU 49 4.142 -7.443 -8.208 391 HA GLU 49 HA GLU 49 5.601 -9.231 -9.706 392 1HB GLU 49 1HB GLU 49 5.316 -6.655 -9.933 393 2HB GLU 49 2HB GLU 49 6.777 -6.573 -8.958 394 1HG GLU 49 1HG GLU 49 7.389 -6.423 -11.256 395 2HG GLU 49 2HG GLU 49 7.922 -7.985 -10.639 396 H ARG 50 H ARG 50 6.566 -7.629 -6.691 397 HA ARG 50 HA ARG 50 9.138 -8.877 -6.612 398 1HB ARG 50 1HB ARG 50 8.215 -6.686 -5.440 399 2HB ARG 50 2HB ARG 50 7.842 -7.815 -4.144 400 1HG ARG 50 1HG ARG 50 10.578 -7.673 -5.359 401 2HG ARG 50 2HG ARG 50 10.078 -6.589 -4.059 402 1HD ARG 50 1HD ARG 50 9.485 -8.595 -2.707 403 2HD ARG 50 2HD ARG 50 10.169 -9.601 -3.984 404 HE ARG 50 HE ARG 50 11.604 -8.135 -1.992 405 1HH1 ARG 50 2HH1 ARG 50 11.755 -9.378 -5.241 406 2HH1 ARG 50 1HH1 ARG 50 13.485 -9.469 -5.264 407 1HH2 ARG 50 2HH2 ARG 50 13.882 -8.251 -2.011 408 2HH2 ARG 50 1HH2 ARG 50 14.694 -8.829 -3.427 409 H GLN 51 H GLN 51 6.341 -9.206 -4.417 410 HA GLN 51 HA GLN 51 6.919 -12.077 -4.224 411 1HB GLN 51 1HB GLN 51 6.660 -10.115 -1.962 412 2HB GLN 51 2HB GLN 51 6.290 -11.819 -1.730 413 1HG GLN 51 1HG GLN 51 8.675 -12.104 -2.843 414 2HG GLN 51 2HG GLN 51 8.894 -10.483 -2.185 415 1HE2 GLN 51 1HE2 GLN 51 10.265 -12.875 -1.411 416 2HE2 GLN 51 2HE2 GLN 51 9.912 -13.146 0.258 417 H GLY 52 H GLY 52 5.093 -12.184 -5.703 418 1HA GLY 52 2HA GLY 52 2.494 -11.467 -4.567 419 2HA GLY 52 3HA GLY 52 2.794 -11.993 -6.216 420 H LEU 53 H LEU 53 2.847 -13.169 -2.863 421 HA LEU 53 HA LEU 53 2.480 -15.904 -3.784 422 1HB LEU 53 1HB LEU 53 2.420 -15.092 -0.912 423 2HB LEU 53 2HB LEU 53 2.999 -16.590 -1.638 424 HG LEU 53 HG LEU 53 4.774 -14.801 -2.650 425 1HD1 LEU 53 1HD1 LEU 53 4.601 -12.872 -1.547 426 2HD1 LEU 53 2HD1 LEU 53 5.290 -13.732 -0.171 427 3HD1 LEU 53 3HD1 LEU 53 3.541 -13.568 -0.321 428 1HD2 LEU 53 1HD2 LEU 53 6.166 -15.559 -0.566 429 2HD2 LEU 53 2HD2 LEU 53 5.656 -16.734 -1.778 430 3HD2 LEU 53 3HD2 LEU 53 4.765 -16.586 -0.262 431 H SER 54 H SER 54 0.642 -13.288 -2.439 432 HA SER 54 HA SER 54 -1.820 -14.685 -2.939 433 1HB SER 54 1HB SER 54 -2.618 -14.212 -0.524 434 2HB SER 54 2HB SER 54 -1.593 -15.621 -0.797 435 HG SER 54 HG SER 54 -1.156 -13.672 0.878 436 H MET 55 H MET 55 -1.895 -12.851 -4.386 437 HA MET 55 HA MET 55 -2.042 -10.191 -3.319 438 1HB MET 55 1HB MET 55 -1.222 -10.559 -5.583 439 2HB MET 55 2HB MET 55 -2.757 -11.281 -6.047 440 1HG MET 55 1HG MET 55 -3.888 -9.208 -5.862 441 2HG MET 55 2HG MET 55 -2.504 -8.450 -5.079 442 1HE MET 55 1HE MET 55 -4.135 -9.586 -8.428 443 2HE MET 55 2HE MET 55 -2.764 -9.588 -9.538 444 3HE MET 55 3HE MET 55 -2.851 -10.780 -8.240 445 H ARG 56 H ARG 56 -4.305 -12.729 -4.095 446 HA ARG 56 HA ARG 56 -6.657 -11.168 -4.172 447 1HB ARG 56 1HB ARG 56 -7.830 -13.319 -3.762 448 2HB ARG 56 2HB ARG 56 -6.653 -13.410 -5.066 449 1HG ARG 56 1HG ARG 56 -5.087 -14.228 -3.092 450 2HG ARG 56 2HG ARG 56 -6.640 -14.700 -2.400 451 1HD ARG 56 1HD ARG 56 -5.759 -16.558 -3.634 452 2HD ARG 56 2HD ARG 56 -7.145 -15.911 -4.510 453 HE ARG 56 HE ARG 56 -4.831 -14.695 -5.502 454 1HH1 ARG 56 2HH1 ARG 56 -6.348 -17.827 -5.407 455 2HH1 ARG 56 1HH1 ARG 56 -5.648 -18.355 -6.901 456 1HH2 ARG 56 2HH2 ARG 56 -3.904 -15.379 -7.471 457 2HH2 ARG 56 1HH2 ARG 56 -4.258 -16.963 -8.074 458 H GLN 57 H GLN 57 -4.689 -12.307 -1.576 459 HA GLN 57 HA GLN 57 -6.748 -11.950 0.431 460 1HB GLN 57 1HB GLN 57 -3.969 -12.977 0.375 461 2HB GLN 57 2HB GLN 57 -4.499 -12.243 1.882 462 1HG GLN 57 1HG GLN 57 -4.799 -14.729 1.702 463 2HG GLN 57 2HG GLN 57 -6.234 -13.810 2.155 464 1HE2 GLN 57 1HE2 GLN 57 -4.919 -16.060 0.023 465 2HE2 GLN 57 2HE2 GLN 57 -6.230 -16.139 -1.100 466 H ILE 58 H ILE 58 -4.297 -10.087 -1.082 467 HA ILE 58 HA ILE 58 -3.682 -8.239 0.928 468 HB ILE 58 HB ILE 58 -3.821 -7.781 -2.054 469 1HG1 ILE 58 1HG1 ILE 58 -2.299 -9.609 -1.354 470 2HG1 ILE 58 2HG1 ILE 58 -1.433 -8.241 -2.045 471 1HG2 ILE 58 1HG2 ILE 58 -2.724 -6.137 0.199 472 2HG2 ILE 58 2HG2 ILE 58 -2.077 -5.997 -1.435 473 3HG2 ILE 58 3HG2 ILE 58 -3.777 -5.643 -1.127 474 1HD1 ILE 58 1HD1 ILE 58 -0.257 -7.949 -0.191 475 2HD1 ILE 58 2HD1 ILE 58 -1.700 -8.007 0.823 476 3HD1 ILE 58 3HD1 ILE 58 -0.894 -9.502 0.348 477 H ARG 59 H ARG 59 -4.900 -6.797 1.940 478 HA ARG 59 HA ARG 59 -6.896 -5.261 0.544 479 1HB ARG 59 1HB ARG 59 -7.635 -7.459 2.412 480 2HB ARG 59 2HB ARG 59 -8.560 -5.966 2.501 481 1HG ARG 59 1HG ARG 59 -8.868 -6.212 -0.021 482 2HG ARG 59 2HG ARG 59 -8.293 -7.866 0.200 483 1HD ARG 59 1HD ARG 59 -10.632 -6.641 1.658 484 2HD ARG 59 2HD ARG 59 -10.763 -7.670 0.231 485 HE ARG 59 HE ARG 59 -9.280 -9.069 2.116 486 1HH1 ARG 59 2HH1 ARG 59 -12.498 -7.785 1.778 487 2HH1 ARG 59 1HH1 ARG 59 -13.227 -8.991 2.785 488 1HH2 ARG 59 2HH2 ARG 59 -10.227 -10.663 3.444 489 2HH2 ARG 59 1HH2 ARG 59 -11.934 -10.628 3.734 490 H PHE 60 H PHE 60 -6.508 -3.271 1.232 491 HA PHE 60 HA PHE 60 -5.143 -2.714 3.668 492 1HB PHE 60 1HB PHE 60 -6.288 -1.110 1.438 493 2HB PHE 60 2HB PHE 60 -6.011 -0.285 2.968 494 HD1 PHE 60 1HD PHE 60 -4.506 -1.656 -0.002 495 HD2 PHE 60 2HD PHE 60 -3.711 -0.223 3.926 496 HE1 PHE 60 1HE PHE 60 -2.131 -1.384 -0.585 497 HE2 PHE 60 2HE PHE 60 -1.335 0.051 3.349 498 HZ PHE 60 HZ PHE 60 -0.543 -0.529 1.091 499 H ARG 61 H ARG 61 -5.905 -2.182 5.628 500 HA ARG 61 HA ARG 61 -8.680 -1.366 5.953 501 1HB ARG 61 1HB ARG 61 -8.278 -3.983 6.137 502 2HB ARG 61 2HB ARG 61 -7.747 -3.550 7.756 503 1HG ARG 61 1HG ARG 61 -10.404 -2.699 6.648 504 2HG ARG 61 2HG ARG 61 -10.166 -4.226 7.499 505 1HD ARG 61 1HD ARG 61 -9.035 -2.613 9.279 506 2HD ARG 61 2HD ARG 61 -10.116 -1.441 8.527 507 HE ARG 61 HE ARG 61 -10.847 -3.580 10.277 508 1HH1 ARG 61 2HH1 ARG 61 -11.942 -1.599 7.631 509 2HH1 ARG 61 1HH1 ARG 61 -13.621 -1.792 8.011 510 1HH2 ARG 61 2HH2 ARG 61 -13.054 -3.841 10.788 511 2HH2 ARG 61 1HH2 ARG 61 -14.253 -3.066 9.807 512 H PHE 62 H PHE 62 -8.888 0.132 7.498 513 HA PHE 62 HA PHE 62 -6.591 0.572 9.286 514 1HB PHE 62 1HB PHE 62 -7.186 2.390 7.639 515 2HB PHE 62 2HB PHE 62 -8.700 2.593 8.514 516 HD1 PHE 62 1HD PHE 62 -8.810 3.996 10.359 517 HD2 PHE 62 2HD PHE 62 -5.014 2.670 8.962 518 HE1 PHE 62 1HE PHE 62 -7.699 5.535 11.925 519 HE2 PHE 62 2HE PHE 62 -3.898 4.206 10.526 520 HZ PHE 62 HZ PHE 62 -5.240 5.640 12.011 521 H ASP 63 H ASP 63 -7.024 1.300 11.455 522 HA ASP 63 HA ASP 63 -9.180 -0.150 12.667 523 1HB ASP 63 1HB ASP 63 -6.795 0.279 13.595 524 2HB ASP 63 2HB ASP 63 -7.448 1.828 14.121 525 H GLY 64 H GLY 64 -10.604 1.368 11.157 526 1HA GLY 64 2HA GLY 64 -12.137 2.974 12.925 527 2HA GLY 64 3HA GLY 64 -11.182 3.993 11.858 528 H GLN 65 H GLN 65 -11.311 2.163 9.608 529 HA GLN 65 HA GLN 65 -14.029 1.651 8.946 530 1HB GLN 65 1HB GLN 65 -12.878 4.283 8.278 531 2HB GLN 65 2HB GLN 65 -13.676 3.458 6.945 532 1HG GLN 65 1HG GLN 65 -15.554 3.125 8.795 533 2HG GLN 65 2HG GLN 65 -14.807 4.589 9.433 534 1HE2 GLN 65 1HE2 GLN 65 -17.099 3.391 7.360 535 2HE2 GLN 65 2HE2 GLN 65 -17.356 4.798 6.390 536 HA PRO 66 HA PRO 66 -12.176 -0.833 5.843 537 1HB PRO 66 1HB PRO 66 -14.013 -0.754 3.846 538 2HB PRO 66 2HB PRO 66 -14.275 -1.632 5.358 539 1HG PRO 66 1HG PRO 66 -15.260 1.075 4.544 540 2HG PRO 66 2HG PRO 66 -16.127 -0.227 5.379 541 1HD PRO 66 1HD PRO 66 -15.101 1.911 6.686 542 2HD PRO 66 2HD PRO 66 -15.206 0.301 7.425 543 H ILE 67 H ILE 67 -11.351 -0.882 3.615 544 HA ILE 67 HA ILE 67 -11.114 1.728 2.316 545 HB ILE 67 HB ILE 67 -8.700 0.032 2.957 546 1HG1 ILE 67 1HG1 ILE 67 -9.521 2.701 4.122 547 2HG1 ILE 67 2HG1 ILE 67 -9.653 1.157 4.956 548 1HG2 ILE 67 1HG2 ILE 67 -7.410 1.836 2.019 549 2HG2 ILE 67 2HG2 ILE 67 -8.607 1.308 0.838 550 3HG2 ILE 67 3HG2 ILE 67 -8.868 2.791 1.755 551 1HD1 ILE 67 1HD1 ILE 67 -7.657 1.684 5.795 552 2HD1 ILE 67 2HD1 ILE 67 -7.033 1.168 4.228 553 3HD1 ILE 67 3HD1 ILE 67 -7.335 2.878 4.537 554 H ASN 68 H ASN 68 -11.181 1.602 0.153 555 HA ASN 68 HA ASN 68 -11.091 -1.079 -1.050 556 1HB ASN 68 1HB ASN 68 -12.340 1.434 -2.181 557 2HB ASN 68 2HB ASN 68 -12.483 -0.197 -2.830 558 1HD2 ASN 68 1HD2 ASN 68 -14.382 1.888 -1.655 559 2HD2 ASN 68 2HD2 ASN 68 -15.343 0.977 -0.546 560 H GLU 69 H GLU 69 -10.663 -0.646 -3.629 561 HA GLU 69 HA GLU 69 -7.887 0.131 -3.702 562 1HB GLU 69 1HB GLU 69 -7.937 -0.682 -6.012 563 2HB GLU 69 2HB GLU 69 -8.632 -1.860 -4.907 564 1HG GLU 69 1HG GLU 69 -10.884 -1.076 -5.551 565 2HG GLU 69 2HG GLU 69 -10.138 0.002 -6.728 566 H THR 70 H THR 70 -10.933 1.522 -4.541 567 HA THR 70 HA THR 70 -9.849 3.498 -6.339 568 HB THR 70 HB THR 70 -12.160 2.709 -6.616 569 HG1 THR 70 1HG THR 70 -12.973 4.728 -7.047 570 1HG2 THR 70 1HG2 THR 70 -13.903 3.351 -5.053 571 2HG2 THR 70 2HG2 THR 70 -12.716 4.147 -4.019 572 3HG2 THR 70 3HG2 THR 70 -12.677 2.395 -4.220 573 H ASP 71 H ASP 71 -10.644 3.274 -2.943 574 HA ASP 71 HA ASP 71 -10.567 6.058 -2.382 575 1HB ASP 71 1HB ASP 71 -10.326 3.593 -0.668 576 2HB ASP 71 2HB ASP 71 -10.170 5.210 0.011 577 H THR 72 H THR 72 -8.929 7.118 -1.025 578 HA THR 72 HA THR 72 -6.215 6.068 -1.462 579 HB THR 72 HB THR 72 -5.647 8.649 -1.665 580 HG1 THR 72 1HG THR 72 -7.636 9.563 -1.581 581 1HG2 THR 72 1HG2 THR 72 -6.801 7.199 -4.042 582 2HG2 THR 72 2HG2 THR 72 -5.244 6.784 -3.324 583 3HG2 THR 72 3HG2 THR 72 -5.495 8.384 -4.022 584 HA PRO 73 HA PRO 73 -5.372 7.066 2.728 585 1HB PRO 73 1HB PRO 73 -2.792 7.905 2.611 586 2HB PRO 73 2HB PRO 73 -3.263 6.213 2.403 587 1HG PRO 73 1HG PRO 73 -2.611 8.267 0.325 588 2HG PRO 73 2HG PRO 73 -2.121 6.565 0.408 589 1HD PRO 73 1HD PRO 73 -4.149 7.423 -1.168 590 2HD PRO 73 2HD PRO 73 -4.139 5.814 -0.416 591 H ALA 74 H ALA 74 -5.272 9.489 0.323 592 HA ALA 74 HA ALA 74 -4.663 11.678 2.105 593 1HB ALA 74 1HB ALA 74 -5.387 13.043 0.058 594 2HB ALA 74 2HB ALA 74 -3.933 12.054 -0.079 595 3HB ALA 74 3HB ALA 74 -5.450 11.493 -0.783 596 H GLN 75 H GLN 75 -7.489 10.039 0.926 597 HA GLN 75 HA GLN 75 -9.256 12.135 1.939 598 1HB GLN 75 1HB GLN 75 -9.561 10.856 -0.301 599 2HB GLN 75 2HB GLN 75 -10.185 9.559 0.709 600 1HG GLN 75 1HG GLN 75 -12.069 10.744 0.006 601 2HG GLN 75 2HG GLN 75 -11.790 11.274 1.664 602 1HE2 GLN 75 1HE2 GLN 75 -10.877 13.343 2.017 603 2HE2 GLN 75 2HE2 GLN 75 -11.011 14.586 0.825 604 H LEU 76 H LEU 76 -7.562 10.077 3.506 605 HA LEU 76 HA LEU 76 -9.744 9.272 5.308 606 1HB LEU 76 1HB LEU 76 -7.541 7.643 4.165 607 2HB LEU 76 2HB LEU 76 -7.997 7.341 5.840 608 HG LEU 76 HG LEU 76 -10.418 7.195 4.760 609 1HD1 LEU 76 1HD1 LEU 76 -8.797 6.034 2.532 610 2HD1 LEU 76 2HD1 LEU 76 -9.289 7.727 2.493 611 3HD1 LEU 76 3HD1 LEU 76 -10.509 6.456 2.570 612 1HD2 LEU 76 1HD2 LEU 76 -10.158 4.793 4.706 613 2HD2 LEU 76 2HD2 LEU 76 -9.249 5.458 6.063 614 3HD2 LEU 76 3HD2 LEU 76 -8.405 4.955 4.597 615 H GLU 77 H GLU 77 -7.186 11.219 4.958 616 HA GLU 77 HA GLU 77 -5.714 12.272 6.345 617 1HB GLU 77 1HB GLU 77 -7.780 11.538 8.427 618 2HB GLU 77 2HB GLU 77 -6.555 12.789 8.586 619 1HG GLU 77 1HG GLU 77 -7.650 14.238 7.218 620 2HG GLU 77 2HG GLU 77 -8.404 12.954 6.275 621 H MET 78 H MET 78 -4.983 9.658 5.832 622 HA MET 78 HA MET 78 -3.943 8.725 8.425 623 1HB MET 78 1HB MET 78 -3.554 6.549 7.107 624 2HB MET 78 2HB MET 78 -5.204 6.953 7.562 625 1HG MET 78 1HG MET 78 -5.673 7.748 5.340 626 2HG MET 78 2HG MET 78 -3.994 7.507 4.865 627 1HE MET 78 1HE MET 78 -7.051 4.302 5.917 628 2HE MET 78 2HE MET 78 -5.726 4.427 7.074 629 3HE MET 78 3HE MET 78 -6.745 5.829 6.745 630 H GLU 79 H GLU 79 -2.100 9.994 8.497 631 HA GLU 79 HA GLU 79 0.031 9.149 6.690 632 1HB GLU 79 1HB GLU 79 -0.126 12.063 7.310 633 2HB GLU 79 2HB GLU 79 0.622 11.249 5.943 634 1HG GLU 79 1HG GLU 79 -1.608 10.767 5.033 635 2HG GLU 79 2HG GLU 79 -2.330 11.641 6.382 636 H ASP 80 H ASP 80 1.999 10.889 7.576 637 HA ASP 80 HA ASP 80 3.527 11.189 9.235 638 1HB ASP 80 1HB ASP 80 1.273 12.106 10.321 639 2HB ASP 80 2HB ASP 80 1.521 10.728 11.389 640 H GLU 81 H GLU 81 3.492 8.707 8.180 641 HA GLU 81 HA GLU 81 4.275 6.600 8.538 642 1HB GLU 81 1HB GLU 81 4.684 7.339 11.430 643 2HB GLU 81 2HB GLU 81 5.556 6.143 10.481 644 1HG GLU 81 1HG GLU 81 6.589 7.895 9.167 645 2HG GLU 81 2HG GLU 81 5.669 9.118 10.042 646 H ASP 82 H ASP 82 1.642 6.687 8.431 647 HA ASP 82 HA ASP 82 0.504 5.415 10.792 648 1HB ASP 82 1HB ASP 82 -0.521 6.944 8.561 649 2HB ASP 82 2HB ASP 82 -1.414 5.437 8.745 650 H THR 83 H THR 83 0.070 3.299 10.976 651 HA THR 83 HA THR 83 0.839 1.566 8.739 652 HB THR 83 HB THR 83 0.314 0.724 11.591 653 HG1 THR 83 1HG THR 83 2.199 1.545 12.058 654 1HG2 THR 83 1HG2 THR 83 0.246 -1.121 10.058 655 2HG2 THR 83 2HG2 THR 83 1.784 -1.185 10.918 656 3HG2 THR 83 3HG2 THR 83 1.723 -0.579 9.263 657 H ILE 84 H ILE 84 -0.809 1.032 7.458 658 HA ILE 84 HA ILE 84 -3.496 0.763 8.541 659 HB ILE 84 HB ILE 84 -2.650 0.355 5.677 660 1HG1 ILE 84 1HG1 ILE 84 -3.757 2.837 5.716 661 2HG1 ILE 84 2HG1 ILE 84 -2.929 2.828 7.269 662 1HG2 ILE 84 1HG2 ILE 84 -5.048 1.135 5.325 663 2HG2 ILE 84 2HG2 ILE 84 -4.822 -0.477 6.001 664 3HG2 ILE 84 3HG2 ILE 84 -5.270 0.865 7.054 665 1HD1 ILE 84 1HD1 ILE 84 -1.214 3.584 6.037 666 2HD1 ILE 84 2HD1 ILE 84 -0.979 1.871 5.688 667 3HD1 ILE 84 3HD1 ILE 84 -1.843 2.894 4.541 668 H ASP 85 H ASP 85 -4.068 -1.117 9.399 669 HA ASP 85 HA ASP 85 -2.734 -3.538 9.140 670 1HB ASP 85 1HB ASP 85 -5.654 -3.076 9.787 671 2HB ASP 85 2HB ASP 85 -4.770 -4.572 10.082 672 H VAL 86 H VAL 86 -2.334 -4.458 7.222 673 HA VAL 86 HA VAL 86 -4.522 -4.669 5.271 674 HB VAL 86 HB VAL 86 -1.552 -5.055 4.874 675 1HG1 VAL 86 1HG1 VAL 86 -2.053 -6.116 2.991 676 2HG1 VAL 86 2HG1 VAL 86 -3.777 -5.935 3.320 677 3HG1 VAL 86 3HG1 VAL 86 -2.912 -4.682 2.429 678 1HG2 VAL 86 1HG2 VAL 86 -3.360 -2.743 4.626 679 2HG2 VAL 86 2HG2 VAL 86 -1.623 -2.799 4.925 680 3HG2 VAL 86 3HG2 VAL 86 -2.242 -2.987 3.284 681 H PHE 87 H PHE 87 -5.520 -6.551 5.042 682 HA PHE 87 HA PHE 87 -4.839 -8.853 6.502 683 1HB PHE 87 1HB PHE 87 -7.108 -8.128 5.437 684 2HB PHE 87 2HB PHE 87 -6.518 -8.987 4.018 685 HD1 PHE 87 1HD PHE 87 -8.520 -9.310 6.784 686 HD2 PHE 87 2HD PHE 87 -5.440 -11.390 4.710 687 HE1 PHE 87 1HE PHE 87 -9.307 -11.431 7.752 688 HE2 PHE 87 2HE PHE 87 -6.223 -13.515 5.673 689 HZ PHE 87 HZ PHE 87 -8.158 -13.537 7.195 690 H GLN 88 H GLN 88 -3.280 -10.278 6.160 691 HA GLN 88 HA GLN 88 -2.599 -11.057 3.433 692 1HB GLN 88 1HB GLN 88 -1.069 -9.167 4.292 693 2HB GLN 88 2HB GLN 88 -0.390 -10.388 5.360 694 1HG GLN 88 1HG GLN 88 0.611 -11.527 3.657 695 2HG GLN 88 2HG GLN 88 -0.575 -11.005 2.463 696 1HE2 GLN 88 1HE2 GLN 88 2.247 -10.972 2.152 697 2HE2 GLN 88 2HE2 GLN 88 2.730 -9.327 1.939 698 H GLN 89 H GLN 89 -1.453 -13.069 3.301 699 HA GLN 89 HA GLN 89 -1.806 -14.726 5.709 700 1HB GLN 89 1HB GLN 89 -3.190 -15.211 3.603 701 2HB GLN 89 2HB GLN 89 -1.686 -15.777 2.891 702 1HG GLN 89 1HG GLN 89 -2.698 -17.707 3.690 703 2HG GLN 89 2HG GLN 89 -1.507 -17.307 4.926 704 1HE2 GLN 89 1HE2 GLN 89 -4.912 -17.188 4.098 705 2HE2 GLN 89 2HE2 GLN 89 -5.498 -17.100 5.720 706 H GLN 90 H GLN 90 0.512 -13.273 5.528 707 HA GLN 90 HA GLN 90 2.540 -15.175 4.584 708 1HB GLN 90 1HB GLN 90 2.444 -12.588 4.019 709 2HB GLN 90 2HB GLN 90 3.253 -12.453 5.574 710 1HG GLN 90 1HG GLN 90 5.093 -13.742 4.831 711 2HG GLN 90 2HG GLN 90 4.244 -14.230 3.366 712 1HE2 GLN 90 1HE2 GLN 90 6.498 -13.352 2.697 713 2HE2 GLN 90 2HE2 GLN 90 6.512 -11.700 2.190 714 H THR 91 H THR 91 4.395 -15.601 5.940 715 HA THR 91 HA THR 91 3.837 -15.296 8.817 716 HB THR 91 HB THR 91 5.297 -17.713 7.842 717 HG1 THR 91 1HG THR 91 2.486 -17.298 7.726 718 1HG2 THR 91 1HG2 THR 91 5.249 -17.998 10.065 719 2HG2 THR 91 2HG2 THR 91 3.547 -18.411 9.851 720 3HG2 THR 91 3HG2 THR 91 4.008 -16.764 10.281 721 H GLY 92 H GLY 92 5.272 -13.610 9.120 722 1HA GLY 92 2HA GLY 92 8.098 -14.178 8.479 723 2HA GLY 92 3HA GLY 92 7.418 -12.564 8.628 724 H GLY 93 H GLY 93 6.932 -11.739 10.712 725 1HA GLY 93 2HA GLY 93 7.648 -13.289 13.048 726 2HA GLY 93 3HA GLY 93 8.779 -12.000 12.663 727 H VAL 94 H VAL 94 7.934 -9.800 12.570 728 HA VAL 94 HA VAL 94 6.065 -9.347 14.731 729 HB VAL 94 HB VAL 94 6.637 -7.005 14.531 730 1HG1 VAL 94 1HG1 VAL 94 8.460 -7.469 15.707 731 2HG1 VAL 94 2HG1 VAL 94 8.506 -9.089 15.007 732 3HG1 VAL 94 3HG1 VAL 94 9.354 -7.760 14.215 733 1HG2 VAL 94 1HG2 VAL 94 8.437 -6.429 12.768 734 2HG2 VAL 94 2HG2 VAL 94 7.857 -7.871 11.935 735 3HG2 VAL 94 3HG2 VAL 94 6.753 -6.535 12.257 736 H TYR 95 H TYR 95 4.032 -8.545 14.583 737 HA TYR 95 HA TYR 95 2.949 -8.191 11.867 738 1HB TYR 95 1HB TYR 95 0.732 -8.734 12.957 739 2HB TYR 95 2HB TYR 95 1.887 -10.059 12.895 740 HD1 TYR 95 1HD TYR 95 2.604 -11.131 14.868 741 HD2 TYR 95 2HD TYR 95 0.452 -7.470 15.128 742 HE1 TYR 95 1HE TYR 95 2.391 -11.436 17.299 743 HE2 TYR 95 2HE TYR 95 0.233 -7.764 17.560 744 HH TYR 95 HH TYR 95 1.388 -10.694 19.167 Start of MODEL 3 1 1H MET 1 1H MET 1 30.735 -6.114 -21.952 2 HA MET 1 HA MET 1 29.786 -5.280 -19.354 3 1HB MET 1 1HB MET 1 30.858 -3.843 -21.764 4 2HB MET 1 2HB MET 1 30.102 -2.953 -20.449 5 1HG MET 1 1HG MET 1 32.262 -4.896 -19.814 6 2HG MET 1 2HG MET 1 32.689 -3.339 -20.519 7 1HE MET 1 1HE MET 1 32.081 -0.976 -19.356 8 2HE MET 1 2HE MET 1 32.677 -0.973 -17.696 9 3HE MET 1 3HE MET 1 33.635 -1.719 -18.976 10 H ALA 2 H ALA 2 27.626 -6.155 -19.539 11 HA ALA 2 HA ALA 2 25.854 -4.655 -21.341 12 1HB ALA 2 1HB ALA 2 24.236 -6.542 -20.329 13 2HB ALA 2 2HB ALA 2 25.234 -6.785 -21.763 14 3HB ALA 2 3HB ALA 2 25.786 -7.373 -20.194 15 H ASP 3 H ASP 3 24.485 -3.185 -20.558 16 HA ASP 3 HA ASP 3 23.620 -3.312 -17.779 17 1HB ASP 3 1HB ASP 3 25.300 -1.114 -18.942 18 2HB ASP 3 2HB ASP 3 24.141 -0.757 -17.665 19 H GLU 4 H GLU 4 21.972 -1.546 -17.329 20 HA GLU 4 HA GLU 4 20.223 -1.323 -19.676 21 1HB GLU 4 1HB GLU 4 18.399 -0.997 -18.071 22 2HB GLU 4 2HB GLU 4 19.269 -2.492 -17.755 23 1HG GLU 4 1HG GLU 4 20.570 -1.222 -16.007 24 2HG GLU 4 2HG GLU 4 19.407 0.086 -16.222 25 H LYS 5 H LYS 5 19.228 0.624 -20.225 26 HA LYS 5 HA LYS 5 20.099 3.039 -18.820 27 1HB LYS 5 1HB LYS 5 20.690 2.331 -21.665 28 2HB LYS 5 2HB LYS 5 20.397 4.015 -21.248 29 1HG LYS 5 1HG LYS 5 22.407 2.371 -19.755 30 2HG LYS 5 2HG LYS 5 22.813 3.172 -21.275 31 1HD LYS 5 1HD LYS 5 22.290 5.323 -20.350 32 2HD LYS 5 2HD LYS 5 21.649 4.588 -18.879 33 1HE LYS 5 1HE LYS 5 24.477 4.076 -19.704 34 2HE LYS 5 2HE LYS 5 24.055 5.584 -18.893 35 1HZ LYS 5 1HZ LYS 5 23.908 2.827 -17.861 36 2HZ LYS 5 2HZ LYS 5 22.943 4.041 -17.188 37 3HZ LYS 5 3HZ LYS 5 24.628 4.188 -17.161 38 HA PRO 6 HA PRO 6 15.600 3.056 -19.977 39 1HB PRO 6 1HB PRO 6 14.733 3.850 -17.530 40 2HB PRO 6 2HB PRO 6 14.997 2.154 -17.952 41 1HG PRO 6 1HG PRO 6 16.775 4.028 -16.439 42 2HG PRO 6 2HG PRO 6 16.388 2.331 -16.098 43 1HD PRO 6 1HD PRO 6 18.697 3.087 -17.293 44 2HD PRO 6 2HD PRO 6 17.897 1.543 -17.652 45 H LYS 7 H LYS 7 14.645 4.829 -20.783 46 HA LYS 7 HA LYS 7 15.363 7.458 -19.692 47 1HB LYS 7 1HB LYS 7 15.515 6.580 -22.567 48 2HB LYS 7 2HB LYS 7 15.335 8.274 -22.129 49 1HG LYS 7 1HG LYS 7 17.436 8.365 -21.127 50 2HG LYS 7 2HG LYS 7 17.550 6.608 -20.993 51 1HD LYS 7 1HD LYS 7 18.077 6.343 -23.231 52 2HD LYS 7 2HD LYS 7 17.353 7.886 -23.690 53 1HE LYS 7 1HE LYS 7 19.578 8.413 -23.830 54 2HE LYS 7 2HE LYS 7 19.249 8.863 -22.157 55 1HZ LYS 7 1HZ LYS 7 20.184 6.815 -21.405 56 2HZ LYS 7 2HZ LYS 7 21.297 7.535 -22.455 57 3HZ LYS 7 3HZ LYS 7 20.353 6.235 -22.985 58 H GLU 8 H GLU 8 13.063 6.231 -18.990 59 HA GLU 8 HA GLU 8 11.089 8.066 -19.883 60 1HB GLU 8 1HB GLU 8 11.199 6.359 -21.775 61 2HB GLU 8 2HB GLU 8 10.531 5.201 -20.634 62 1HG GLU 8 1HG GLU 8 8.716 7.083 -20.315 63 2HG GLU 8 2HG GLU 8 9.253 7.545 -21.929 64 H GLY 9 H GLY 9 9.645 8.350 -18.295 65 1HA GLY 9 2HA GLY 9 8.113 6.908 -16.792 66 2HA GLY 9 3HA GLY 9 9.644 6.380 -16.110 67 H VAL 10 H VAL 10 7.638 9.241 -16.685 68 HA VAL 10 HA VAL 10 8.240 10.243 -14.057 69 HB VAL 10 HB VAL 10 10.199 11.099 -15.178 70 1HG1 VAL 10 1HG1 VAL 10 9.058 12.941 -17.034 71 2HG1 VAL 10 2HG1 VAL 10 10.203 11.631 -17.333 72 3HG1 VAL 10 3HG1 VAL 10 8.468 11.320 -17.398 73 1HG2 VAL 10 1HG2 VAL 10 8.888 12.536 -13.557 74 2HG2 VAL 10 2HG2 VAL 10 10.003 13.389 -14.625 75 3HG2 VAL 10 3HG2 VAL 10 8.273 13.400 -14.966 76 H LYS 11 H LYS 11 6.385 11.016 -13.322 77 HA LYS 11 HA LYS 11 4.453 12.122 -15.247 78 1HB LYS 11 1HB LYS 11 3.872 11.067 -12.477 79 2HB LYS 11 2HB LYS 11 2.702 11.492 -13.720 80 1HG LYS 11 1HG LYS 11 4.722 9.291 -14.050 81 2HG LYS 11 2HG LYS 11 3.105 9.036 -13.388 82 1HD LYS 11 1HD LYS 11 2.675 8.585 -15.581 83 2HD LYS 11 2HD LYS 11 2.410 10.330 -15.600 84 1HE LYS 11 1HE LYS 11 4.314 10.742 -16.776 85 2HE LYS 11 2HE LYS 11 5.174 9.372 -16.076 86 1HZ LYS 11 1HZ LYS 11 3.194 9.348 -18.277 87 2HZ LYS 11 2HZ LYS 11 3.650 7.940 -17.460 88 3HZ LYS 11 3HZ LYS 11 4.805 8.832 -18.316 89 H THR 12 H THR 12 2.984 13.818 -14.316 90 HA THR 12 HA THR 12 3.899 15.373 -12.098 91 HB THR 12 HB THR 12 5.591 16.154 -13.606 92 HG1 THR 12 1HG THR 12 5.121 18.321 -13.504 93 1HG2 THR 12 1HG2 THR 12 5.034 17.175 -15.780 94 2HG2 THR 12 2HG2 THR 12 3.349 16.707 -15.554 95 3HG2 THR 12 3HG2 THR 12 4.594 15.469 -15.718 96 H GLU 13 H GLU 13 2.260 16.554 -11.299 97 HA GLU 13 HA GLU 13 0.261 17.805 -12.855 98 1HB GLU 13 1HB GLU 13 -0.340 15.320 -13.035 99 2HB GLU 13 2HB GLU 13 -0.773 15.421 -11.335 100 1HG GLU 13 1HG GLU 13 -2.688 15.660 -12.887 101 2HG GLU 13 2HG GLU 13 -2.480 17.021 -11.787 102 H ASN 14 H ASN 14 -1.406 18.829 -11.525 103 HA ASN 14 HA ASN 14 -0.305 19.639 -8.976 104 1HB ASN 14 1HB ASN 14 -1.491 21.112 -10.795 105 2HB ASN 14 2HB ASN 14 -2.965 20.572 -9.996 106 1HD2 ASN 14 1HD2 ASN 14 0.150 22.120 -9.412 107 2HD2 ASN 14 2HD2 ASN 14 -0.380 23.090 -8.084 108 H ASN 15 H ASN 15 -0.553 17.948 -7.556 109 HA ASN 15 HA ASN 15 -3.196 17.608 -6.454 110 1HB ASN 15 1HB ASN 15 -2.972 15.059 -6.568 111 2HB ASN 15 2HB ASN 15 -3.430 15.886 -8.054 112 1HD2 ASN 15 1HD2 ASN 15 -1.421 13.622 -6.732 113 2HD2 ASN 15 2HD2 ASN 15 -0.221 13.554 -7.974 114 H ASP 16 H ASP 16 -3.026 15.858 -4.609 115 HA ASP 16 HA ASP 16 -0.913 16.767 -2.882 116 1HB ASP 16 1HB ASP 16 -3.355 15.084 -2.577 117 2HB ASP 16 2HB ASP 16 -2.078 14.909 -1.377 118 H HIS 17 H HIS 17 0.287 15.121 -1.518 119 HA HIS 17 HA HIS 17 0.841 12.568 -2.713 120 1HB HIS 17 1HB HIS 17 3.309 13.105 -3.004 121 2HB HIS 17 2HB HIS 17 2.221 13.786 -4.210 122 HD1 HIS 17 1HD HIS 17 4.695 14.714 -1.647 123 HD2 HIS 17 2HD HIS 17 1.795 16.613 -3.937 124 HE1 HIS 17 1HE HIS 17 5.208 17.170 -1.479 125 H ILE 18 H ILE 18 0.907 11.330 -0.964 126 HA ILE 18 HA ILE 18 2.351 12.326 1.406 127 HB ILE 18 HB ILE 18 0.901 11.098 2.827 128 1HG1 ILE 18 1HG1 ILE 18 -0.305 9.923 0.313 129 2HG1 ILE 18 2HG1 ILE 18 0.688 9.067 1.487 130 1HG2 ILE 18 1HG2 ILE 18 -1.288 12.072 2.335 131 2HG2 ILE 18 2HG2 ILE 18 0.011 13.229 2.049 132 3HG2 ILE 18 3HG2 ILE 18 -0.764 12.420 0.688 133 1HD1 ILE 18 1HD1 ILE 18 -1.580 8.478 1.869 134 2HD1 ILE 18 2HD1 ILE 18 -1.073 9.531 3.190 135 3HD1 ILE 18 3HD1 ILE 18 -2.078 10.170 1.889 136 H ASN 19 H ASN 19 2.616 10.088 2.875 137 HA ASN 19 HA ASN 19 4.042 8.184 1.141 138 1HB ASN 19 1HB ASN 19 5.391 9.949 2.636 139 2HB ASN 19 2HB ASN 19 5.129 8.710 3.860 140 1HD2 ASN 19 1HD2 ASN 19 5.947 6.598 3.476 141 2HD2 ASN 19 2HD2 ASN 19 7.291 6.359 2.417 142 H LEU 20 H LEU 20 4.004 6.037 1.763 143 HA LEU 20 HA LEU 20 2.636 5.309 4.232 144 1HB LEU 20 1HB LEU 20 1.566 4.922 1.497 145 2HB LEU 20 2HB LEU 20 1.387 3.579 2.624 146 HG LEU 20 HG LEU 20 0.333 6.378 3.026 147 1HD1 LEU 20 1HD1 LEU 20 -1.266 3.868 2.647 148 2HD1 LEU 20 2HD1 LEU 20 -0.772 4.874 1.287 149 3HD1 LEU 20 3HD1 LEU 20 -1.802 5.546 2.551 150 1HD2 LEU 20 1HD2 LEU 20 0.335 5.839 5.187 151 2HD2 LEU 20 2HD2 LEU 20 0.780 4.166 4.849 152 3HD2 LEU 20 3HD2 LEU 20 -0.914 4.657 4.794 153 H LYS 21 H LYS 21 3.042 3.185 4.924 154 HA LYS 21 HA LYS 21 4.960 1.632 3.337 155 1HB LYS 21 1HB LYS 21 5.317 1.978 6.305 156 2HB LYS 21 2HB LYS 21 6.465 1.346 5.132 157 1HG LYS 21 1HG LYS 21 6.281 3.761 4.124 158 2HG LYS 21 2HG LYS 21 5.747 4.163 5.758 159 1HD LYS 21 1HD LYS 21 8.208 2.516 5.404 160 2HD LYS 21 2HD LYS 21 8.293 4.254 5.108 161 1HE LYS 21 1HE LYS 21 7.072 4.397 7.420 162 2HE LYS 21 2HE LYS 21 7.734 2.778 7.643 163 1HZ LYS 21 1HZ LYS 21 9.031 5.235 7.959 164 2HZ LYS 21 2HZ LYS 21 9.764 4.438 6.660 165 3HZ LYS 21 3HZ LYS 21 9.668 3.682 8.170 166 H VAL 22 H VAL 22 3.912 -0.206 2.944 167 HA VAL 22 HA VAL 22 2.060 -1.305 4.900 168 HB VAL 22 HB VAL 22 2.788 -2.445 2.202 169 1HG1 VAL 22 1HG1 VAL 22 0.453 -2.889 4.056 170 2HG1 VAL 22 2HG1 VAL 22 0.552 -3.510 2.407 171 3HG1 VAL 22 3HG1 VAL 22 1.707 -4.051 3.625 172 1HG2 VAL 22 1HG2 VAL 22 0.644 -1.357 1.459 173 2HG2 VAL 22 2HG2 VAL 22 0.682 -0.428 2.958 174 3HG2 VAL 22 3HG2 VAL 22 1.980 -0.250 1.777 175 H ALA 23 H ALA 23 3.033 -2.347 6.534 176 HA ALA 23 HA ALA 23 4.912 -4.501 5.837 177 1HB ALA 23 1HB ALA 23 6.149 -2.578 6.765 178 2HB ALA 23 2HB ALA 23 5.187 -2.700 8.239 179 3HB ALA 23 3HB ALA 23 6.264 -4.018 7.777 180 H GLY 24 H GLY 24 4.356 -6.431 6.628 181 1HA GLY 24 2HA GLY 24 2.089 -6.569 8.467 182 2HA GLY 24 3HA GLY 24 2.743 -7.899 7.523 183 H GLN 25 H GLN 25 2.104 -7.582 10.438 184 HA GLN 25 HA GLN 25 4.446 -7.464 11.964 185 1HB GLN 25 1HB GLN 25 2.324 -7.320 13.060 186 2HB GLN 25 2HB GLN 25 1.830 -8.890 12.440 187 1HG GLN 25 1HG GLN 25 4.242 -8.711 14.176 188 2HG GLN 25 2HG GLN 25 2.640 -8.614 14.907 189 1HE2 GLN 25 1HE2 GLN 25 4.872 -10.669 14.876 190 2HE2 GLN 25 2HE2 GLN 25 4.068 -12.150 14.492 191 H ASP 26 H ASP 26 3.323 -9.863 9.814 192 HA ASP 26 HA ASP 26 4.717 -12.074 11.015 193 1HB ASP 26 1HB ASP 26 3.389 -11.707 8.327 194 2HB ASP 26 2HB ASP 26 4.180 -13.203 8.815 195 H GLY 27 H GLY 27 5.105 -10.746 7.732 196 1HA GLY 27 2HA GLY 27 7.903 -10.231 8.091 197 2HA GLY 27 3HA GLY 27 7.612 -11.719 7.201 198 H SER 28 H SER 28 6.225 -8.431 7.200 199 HA SER 28 HA SER 28 6.878 -8.226 4.351 200 1HB SER 28 1HB SER 28 4.654 -8.854 4.087 201 2HB SER 28 2HB SER 28 4.147 -8.061 5.579 202 HG SER 28 HG SER 28 3.763 -7.086 3.293 203 H VAL 29 H VAL 29 7.093 -6.101 3.572 204 HA VAL 29 HA VAL 29 6.530 -3.772 5.029 205 HB VAL 29 HB VAL 29 8.206 -4.472 6.609 206 1HG1 VAL 29 1HG1 VAL 29 10.238 -4.550 4.394 207 2HG1 VAL 29 2HG1 VAL 29 10.412 -5.104 6.061 208 3HG1 VAL 29 3HG1 VAL 29 9.373 -5.986 4.941 209 1HG2 VAL 29 1HG2 VAL 29 9.122 -2.433 6.792 210 2HG2 VAL 29 2HG2 VAL 29 9.877 -2.522 5.201 211 3HG2 VAL 29 3HG2 VAL 29 8.183 -2.053 5.348 212 H VAL 30 H VAL 30 6.240 -2.405 3.405 213 HA VAL 30 HA VAL 30 8.361 -1.993 1.461 214 HB VAL 30 HB VAL 30 7.079 -3.672 0.314 215 1HG1 VAL 30 1HG1 VAL 30 4.996 -3.750 1.331 216 2HG1 VAL 30 2HG1 VAL 30 4.736 -2.013 1.161 217 3HG1 VAL 30 3HG1 VAL 30 4.629 -3.064 -0.251 218 1HG2 VAL 30 1HG2 VAL 30 7.910 -1.778 -1.013 219 2HG2 VAL 30 2HG2 VAL 30 6.433 -2.460 -1.692 220 3HG2 VAL 30 3HG2 VAL 30 6.370 -0.951 -0.781 221 H GLN 31 H GLN 31 8.423 0.065 0.657 222 HA GLN 31 HA GLN 31 6.506 1.946 1.830 223 1HB GLN 31 1HB GLN 31 9.108 2.645 0.479 224 2HB GLN 31 2HB GLN 31 8.157 3.638 1.575 225 1HG GLN 31 1HG GLN 31 8.648 1.992 3.379 226 2HG GLN 31 2HG GLN 31 9.741 1.177 2.261 227 1HE2 GLN 31 1HE2 GLN 31 10.788 2.020 4.554 228 2HE2 GLN 31 2HE2 GLN 31 11.780 3.415 4.319 229 H PHE 32 H PHE 32 5.526 3.575 0.585 230 HA PHE 32 HA PHE 32 5.810 3.495 -2.303 231 1HB PHE 32 1HB PHE 32 3.614 2.206 -0.909 232 2HB PHE 32 2HB PHE 32 3.035 3.467 -1.993 233 HD1 PHE 32 1HD PHE 32 4.918 0.312 -1.796 234 HD2 PHE 32 2HD PHE 32 3.129 3.208 -4.351 235 HE1 PHE 32 1HE PHE 32 5.168 -1.222 -3.703 236 HE2 PHE 32 2HE PHE 32 3.375 1.679 -6.262 237 HZ PHE 32 HZ PHE 32 4.395 -0.540 -5.940 238 H LYS 33 H LYS 33 4.345 5.176 -3.337 239 HA LYS 33 HA LYS 33 3.777 7.414 -1.529 240 1HB LYS 33 1HB LYS 33 4.841 8.981 -3.134 241 2HB LYS 33 2HB LYS 33 5.988 7.878 -2.384 242 1HG LYS 33 1HG LYS 33 5.547 6.447 -4.533 243 2HG LYS 33 2HG LYS 33 5.032 7.998 -5.200 244 1HD LYS 33 1HD LYS 33 7.198 8.972 -4.563 245 2HD LYS 33 2HD LYS 33 7.709 7.403 -3.936 246 1HE LYS 33 1HE LYS 33 8.645 7.561 -6.092 247 2HE LYS 33 2HE LYS 33 7.256 6.489 -6.257 248 1HZ LYS 33 1HZ LYS 33 7.774 8.798 -7.690 249 2HZ LYS 33 2HZ LYS 33 6.471 9.171 -6.679 250 3HZ LYS 33 3HZ LYS 33 6.369 7.856 -7.737 251 H ILE 34 H ILE 34 1.909 8.416 -1.964 252 HA ILE 34 HA ILE 34 0.810 8.503 -4.628 253 HB ILE 34 HB ILE 34 0.146 6.236 -3.604 254 1HG1 ILE 34 1HG1 ILE 34 -2.351 7.659 -4.294 255 2HG1 ILE 34 2HG1 ILE 34 -1.033 7.844 -5.447 256 1HG2 ILE 34 1HG2 ILE 34 -1.994 7.788 -2.211 257 2HG2 ILE 34 2HG2 ILE 34 -1.458 6.130 -1.946 258 3HG2 ILE 34 3HG2 ILE 34 -0.459 7.477 -1.401 259 1HD1 ILE 34 1HD1 ILE 34 -2.338 6.013 -6.165 260 2HD1 ILE 34 2HD1 ILE 34 -0.858 5.341 -5.479 261 3HD1 ILE 34 3HD1 ILE 34 -2.356 5.303 -4.551 262 H LYS 35 H LYS 35 -1.238 9.734 -4.700 263 HA LYS 35 HA LYS 35 -1.059 12.105 -3.203 264 1HB LYS 35 1HB LYS 35 -3.206 12.700 -4.237 265 2HB LYS 35 2HB LYS 35 -2.082 12.039 -5.417 266 1HG LYS 35 1HG LYS 35 -3.237 9.837 -5.159 267 2HG LYS 35 2HG LYS 35 -4.445 10.659 -4.168 268 1HD LYS 35 1HD LYS 35 -5.352 10.599 -6.342 269 2HD LYS 35 2HD LYS 35 -4.753 12.246 -6.131 270 1HE LYS 35 1HE LYS 35 -3.880 11.798 -8.188 271 2HE LYS 35 2HE LYS 35 -2.564 11.189 -7.184 272 1HZ LYS 35 1HZ LYS 35 -2.818 9.265 -8.227 273 2HZ LYS 35 2HZ LYS 35 -4.231 9.780 -9.000 274 3HZ LYS 35 3HZ LYS 35 -4.315 9.085 -7.460 275 H ARG 36 H ARG 36 -3.489 12.850 -2.330 276 HA ARG 36 HA ARG 36 -3.828 11.174 0.041 277 1HB ARG 36 1HB ARG 36 -3.422 13.519 0.470 278 2HB ARG 36 2HB ARG 36 -4.749 13.982 -0.588 279 1HG ARG 36 1HG ARG 36 -6.301 12.804 0.972 280 2HG ARG 36 2HG ARG 36 -4.935 12.579 2.066 281 1HD ARG 36 1HD ARG 36 -4.714 15.209 1.640 282 2HD ARG 36 2HD ARG 36 -6.449 15.031 1.385 283 HE ARG 36 HE ARG 36 -5.479 13.790 3.795 284 1HH1 ARG 36 2HH1 ARG 36 -6.687 16.717 2.350 285 2HH1 ARG 36 1HH1 ARG 36 -7.242 17.384 3.850 286 1HH2 ARG 36 2HH2 ARG 36 -6.205 14.657 5.776 287 2HH2 ARG 36 1HH2 ARG 36 -6.966 16.211 5.798 288 H HIS 37 H HIS 37 -5.445 12.079 -2.865 289 HA HIS 37 HA HIS 37 -7.913 10.779 -1.914 290 1HB HIS 37 1HB HIS 37 -8.976 12.016 -3.885 291 2HB HIS 37 2HB HIS 37 -8.492 12.991 -2.500 292 HD1 HIS 37 1HD HIS 37 -6.378 14.510 -2.809 293 HD2 HIS 37 2HD HIS 37 -7.674 12.592 -6.259 294 HE1 HIS 37 1HE HIS 37 -5.210 15.677 -4.706 295 H THR 38 H THR 38 -6.277 8.912 -2.515 296 HA THR 38 HA THR 38 -6.664 8.219 -5.351 297 HB THR 38 HB THR 38 -4.291 8.330 -4.367 298 HG1 THR 38 1HG THR 38 -4.036 7.220 -6.142 299 1HG2 THR 38 1HG2 THR 38 -4.920 7.078 -2.283 300 2HG2 THR 38 2HG2 THR 38 -3.511 6.437 -3.129 301 3HG2 THR 38 3HG2 THR 38 -5.072 5.629 -3.275 302 HA PRO 39 HA PRO 39 -9.468 5.040 -4.143 303 1HB PRO 39 1HB PRO 39 -9.293 3.478 -6.356 304 2HB PRO 39 2HB PRO 39 -10.150 5.023 -6.337 305 1HG PRO 39 1HG PRO 39 -7.395 4.398 -7.326 306 2HG PRO 39 2HG PRO 39 -8.645 5.416 -8.064 307 1HD PRO 39 1HD PRO 39 -6.563 6.444 -6.671 308 2HD PRO 39 2HD PRO 39 -8.163 7.212 -6.702 309 H LEU 40 H LEU 40 -8.795 3.749 -2.525 310 HA LEU 40 HA LEU 40 -6.413 2.379 -2.301 311 1HB LEU 40 1HB LEU 40 -9.124 1.987 -1.121 312 2HB LEU 40 2HB LEU 40 -7.876 0.777 -0.831 313 HG LEU 40 HG LEU 40 -7.697 3.698 -0.095 314 1HD1 LEU 40 1HD1 LEU 40 -7.937 2.962 2.187 315 2HD1 LEU 40 2HD1 LEU 40 -8.039 1.280 1.670 316 3HD1 LEU 40 3HD1 LEU 40 -9.323 2.411 1.246 317 1HD2 LEU 40 1HD2 LEU 40 -5.497 3.100 -0.395 318 2HD2 LEU 40 2HD2 LEU 40 -5.781 1.414 0.040 319 3HD2 LEU 40 3HD2 LEU 40 -5.744 2.655 1.294 320 H SER 41 H SER 41 -9.188 1.596 -4.196 321 HA SER 41 HA SER 41 -9.086 -1.124 -4.487 322 1HB SER 41 1HB SER 41 -9.930 -0.768 -6.805 323 2HB SER 41 2HB SER 41 -10.778 0.209 -5.606 324 HG SER 41 HG SER 41 -9.198 0.987 -7.710 325 H LYS 42 H LYS 42 -7.343 1.178 -6.585 326 HA LYS 42 HA LYS 42 -5.853 -0.637 -8.031 327 1HB LYS 42 1HB LYS 42 -4.235 1.206 -8.385 328 2HB LYS 42 2HB LYS 42 -5.904 1.711 -8.615 329 1HG LYS 42 1HG LYS 42 -5.759 3.242 -7.011 330 2HG LYS 42 2HG LYS 42 -5.016 2.104 -5.884 331 1HD LYS 42 1HD LYS 42 -3.436 3.838 -6.231 332 2HD LYS 42 2HD LYS 42 -2.858 2.445 -7.150 333 1HE LYS 42 1HE LYS 42 -2.590 4.237 -8.619 334 2HE LYS 42 2HE LYS 42 -4.100 3.490 -9.136 335 1HZ LYS 42 1HZ LYS 42 -4.404 5.556 -7.141 336 2HZ LYS 42 2HZ LYS 42 -5.275 5.290 -8.566 337 3HZ LYS 42 3HZ LYS 42 -3.794 6.105 -8.620 338 H LEU 43 H LEU 43 -5.404 0.452 -4.757 339 HA LEU 43 HA LEU 43 -2.718 -0.494 -4.485 340 1HB LEU 43 1HB LEU 43 -4.062 1.256 -3.082 341 2HB LEU 43 2HB LEU 43 -4.567 -0.162 -2.165 342 HG LEU 43 HG LEU 43 -2.204 -0.657 -1.672 343 1HD1 LEU 43 1HD1 LEU 43 -0.588 0.252 -2.882 344 2HD1 LEU 43 2HD1 LEU 43 -1.013 1.839 -2.243 345 3HD1 LEU 43 3HD1 LEU 43 -1.760 1.260 -3.732 346 1HD2 LEU 43 1HD2 LEU 43 -2.097 0.787 0.097 347 2HD2 LEU 43 2HD2 LEU 43 -3.787 0.995 -0.364 348 3HD2 LEU 43 3HD2 LEU 43 -2.582 2.182 -0.866 349 H MET 44 H MET 44 -5.728 -1.626 -2.933 350 HA MET 44 HA MET 44 -4.767 -4.028 -1.967 351 1HB MET 44 1HB MET 44 -6.926 -3.211 -1.291 352 2HB MET 44 2HB MET 44 -7.536 -3.314 -2.937 353 1HG MET 44 1HG MET 44 -7.399 -5.725 -2.876 354 2HG MET 44 2HG MET 44 -6.681 -5.666 -1.267 355 1HE MET 44 1HE MET 44 -9.323 -6.810 -2.947 356 2HE MET 44 2HE MET 44 -10.818 -6.517 -2.058 357 3HE MET 44 3HE MET 44 -10.249 -5.338 -3.242 358 H LYS 45 H LYS 45 -6.267 -3.376 -5.118 359 HA LYS 45 HA LYS 45 -6.368 -5.926 -6.152 360 1HB LYS 45 1HB LYS 45 -7.155 -3.729 -7.201 361 2HB LYS 45 2HB LYS 45 -5.509 -3.548 -7.794 362 1HG LYS 45 1HG LYS 45 -5.707 -5.640 -9.023 363 2HG LYS 45 2HG LYS 45 -7.348 -5.853 -8.409 364 1HD LYS 45 1HD LYS 45 -8.196 -4.136 -9.705 365 2HD LYS 45 2HD LYS 45 -6.626 -3.345 -9.866 366 1HE LYS 45 1HE LYS 45 -5.867 -5.072 -11.373 367 2HE LYS 45 2HE LYS 45 -7.357 -5.984 -11.132 368 1HZ LYS 45 1HZ LYS 45 -7.953 -3.349 -11.962 369 2HZ LYS 45 2HZ LYS 45 -8.336 -4.812 -12.717 370 3HZ LYS 45 3HZ LYS 45 -6.862 -4.050 -13.048 371 H ALA 46 H ALA 46 -3.687 -3.618 -6.636 372 HA ALA 46 HA ALA 46 -1.943 -5.428 -7.866 373 1HB ALA 46 1HB ALA 46 -0.182 -3.820 -7.372 374 2HB ALA 46 2HB ALA 46 -1.637 -3.002 -7.944 375 3HB ALA 46 3HB ALA 46 -1.241 -2.997 -6.226 376 H TYR 47 H TYR 47 -2.190 -4.445 -4.458 377 HA TYR 47 HA TYR 47 -0.072 -5.829 -3.389 378 1HB TYR 47 1HB TYR 47 -1.864 -4.300 -2.263 379 2HB TYR 47 2HB TYR 47 -2.708 -5.814 -1.955 380 HD1 TYR 47 1HD TYR 47 -2.409 -6.633 0.171 381 HD2 TYR 47 2HD TYR 47 0.824 -4.594 -1.699 382 HE1 TYR 47 1HE TYR 47 -1.027 -7.000 2.173 383 HE2 TYR 47 2HE TYR 47 2.215 -4.957 0.297 384 HH TYR 47 HH TYR 47 0.954 -6.705 3.123 385 H CYS 48 H CYS 48 -3.411 -7.076 -3.272 386 HA CYS 48 HA CYS 48 -2.818 -9.669 -2.558 387 1HB CYS 48 1HB CYS 48 -5.076 -8.560 -4.220 388 2HB CYS 48 2HB CYS 48 -5.000 -10.253 -3.747 389 HG CYS 48 HG CYS 48 -4.551 -8.462 -1.058 390 H GLU 49 H GLU 49 -2.767 -8.200 -5.749 391 HA GLU 49 HA GLU 49 -2.649 -10.414 -7.382 392 1HB GLU 49 1HB GLU 49 -2.558 -7.863 -7.932 393 2HB GLU 49 2HB GLU 49 -0.816 -8.095 -7.878 394 1HG GLU 49 1HG GLU 49 -1.232 -10.017 -9.532 395 2HG GLU 49 2HG GLU 49 -2.810 -9.269 -9.772 396 H ARG 50 H ARG 50 -0.115 -9.015 -5.387 397 HA ARG 50 HA ARG 50 1.706 -11.165 -6.238 398 1HB ARG 50 1HB ARG 50 3.521 -9.767 -5.351 399 2HB ARG 50 2HB ARG 50 2.600 -8.924 -6.588 400 1HG ARG 50 1HG ARG 50 1.812 -7.374 -5.144 401 2HG ARG 50 2HG ARG 50 1.743 -8.508 -3.793 402 1HD ARG 50 1HD ARG 50 3.456 -6.681 -3.579 403 2HD ARG 50 2HD ARG 50 4.076 -8.322 -3.406 404 HE ARG 50 HE ARG 50 4.272 -7.343 -6.087 405 1HH1 ARG 50 2HH1 ARG 50 5.789 -7.333 -2.954 406 2HH1 ARG 50 1HH1 ARG 50 7.373 -7.010 -3.578 407 1HH2 ARG 50 2HH2 ARG 50 6.352 -6.919 -6.921 408 2HH2 ARG 50 1HH2 ARG 50 7.692 -6.774 -5.834 409 H GLN 51 H GLN 51 -0.374 -10.310 -3.793 410 HA GLN 51 HA GLN 51 1.064 -12.018 -1.873 411 1HB GLN 51 1HB GLN 51 -0.379 -9.427 -1.415 412 2HB GLN 51 2HB GLN 51 -0.246 -10.610 -0.121 413 1HG GLN 51 1HG GLN 51 2.051 -9.339 -1.593 414 2HG GLN 51 2HG GLN 51 1.497 -8.923 0.028 415 1HE2 GLN 51 1HE2 GLN 51 3.562 -10.841 -1.788 416 2HE2 GLN 51 2HE2 GLN 51 4.077 -11.919 -0.540 417 H GLY 52 H GLY 52 -0.790 -12.947 -3.780 418 1HA GLY 52 2HA GLY 52 -3.391 -13.194 -2.593 419 2HA GLY 52 3HA GLY 52 -2.800 -14.065 -4.000 420 H LEU 53 H LEU 53 -2.221 -13.929 -0.484 421 HA LEU 53 HA LEU 53 -1.912 -16.854 -0.518 422 1HB LEU 53 1HB LEU 53 -1.141 -15.114 1.789 423 2HB LEU 53 2HB LEU 53 -0.528 -16.705 1.343 424 HG LEU 53 HG LEU 53 0.112 -14.074 0.016 425 1HD1 LEU 53 1HD1 LEU 53 2.459 -14.899 0.695 426 2HD1 LEU 53 2HD1 LEU 53 1.594 -15.945 1.821 427 3HD1 LEU 53 3HD1 LEU 53 1.415 -14.194 1.930 428 1HD2 LEU 53 1HD2 LEU 53 0.736 -16.903 -0.776 429 2HD2 LEU 53 2HD2 LEU 53 1.739 -15.545 -1.284 430 3HD2 LEU 53 3HD2 LEU 53 0.040 -15.612 -1.755 431 H SER 54 H SER 54 -3.607 -14.180 0.997 432 HA SER 54 HA SER 54 -5.757 -15.921 1.780 433 1HB SER 54 1HB SER 54 -4.077 -16.141 3.655 434 2HB SER 54 2HB SER 54 -4.325 -14.426 3.985 435 HG SER 54 HG SER 54 -6.155 -16.561 4.229 436 H MET 55 H MET 55 -6.736 -14.443 0.256 437 HA MET 55 HA MET 55 -6.879 -11.672 0.590 438 1HB MET 55 1HB MET 55 -8.921 -11.804 -0.811 439 2HB MET 55 2HB MET 55 -7.573 -12.716 -1.477 440 1HG MET 55 1HG MET 55 -8.574 -14.768 -0.452 441 2HG MET 55 2HG MET 55 -9.987 -13.795 -0.051 442 1HE MET 55 1HE MET 55 -11.011 -12.281 -1.626 443 2HE MET 55 2HE MET 55 -11.044 -12.411 -3.384 444 3HE MET 55 3HE MET 55 -12.087 -13.443 -2.404 445 H ARG 56 H ARG 56 -8.393 -14.219 2.332 446 HA ARG 56 HA ARG 56 -10.467 -12.502 3.431 447 1HB ARG 56 1HB ARG 56 -9.767 -15.409 3.804 448 2HB ARG 56 2HB ARG 56 -10.979 -14.604 4.792 449 1HG ARG 56 1HG ARG 56 -12.331 -15.456 3.187 450 2HG ARG 56 2HG ARG 56 -11.926 -13.921 2.416 451 1HD ARG 56 1HD ARG 56 -11.543 -15.413 0.703 452 2HD ARG 56 2HD ARG 56 -9.935 -15.270 1.414 453 HE ARG 56 HE ARG 56 -10.046 -17.481 1.955 454 1HH1 ARG 56 2HH1 ARG 56 -13.282 -16.300 1.456 455 2HH1 ARG 56 1HH1 ARG 56 -14.017 -17.859 1.627 456 1HH2 ARG 56 2HH2 ARG 56 -11.002 -19.539 2.183 457 2HH2 ARG 56 1HH2 ARG 56 -12.720 -19.701 2.041 458 H GLN 57 H GLN 57 -7.347 -12.515 3.925 459 HA GLN 57 HA GLN 57 -7.610 -12.021 6.809 460 1HB GLN 57 1HB GLN 57 -5.470 -13.610 5.407 461 2HB GLN 57 2HB GLN 57 -5.213 -12.900 6.995 462 1HG GLN 57 1HG GLN 57 -7.021 -14.202 7.916 463 2HG GLN 57 2HG GLN 57 -7.407 -14.846 6.321 464 1HE2 GLN 57 1HE2 GLN 57 -7.068 -16.966 6.819 465 2HE2 GLN 57 2HE2 GLN 57 -5.513 -17.620 7.193 466 H ILE 58 H ILE 58 -5.562 -11.551 3.942 467 HA ILE 58 HA ILE 58 -4.012 -9.449 4.946 468 HB ILE 58 HB ILE 58 -4.834 -9.876 2.071 469 1HG1 ILE 58 1HG1 ILE 58 -3.827 -11.893 3.097 470 2HG1 ILE 58 2HG1 ILE 58 -2.802 -11.198 1.847 471 1HG2 ILE 58 1HG2 ILE 58 -2.702 -8.723 1.576 472 2HG2 ILE 58 2HG2 ILE 58 -3.867 -7.696 2.410 473 3HG2 ILE 58 3HG2 ILE 58 -2.514 -8.395 3.298 474 1HD1 ILE 58 1HD1 ILE 58 -2.187 -10.142 4.472 475 2HD1 ILE 58 2HD1 ILE 58 -2.037 -11.898 4.397 476 3HD1 ILE 58 3HD1 ILE 58 -1.131 -10.887 3.272 477 H ARG 59 H ARG 59 -4.758 -7.598 5.737 478 HA ARG 59 HA ARG 59 -6.502 -5.950 4.111 479 1HB ARG 59 1HB ARG 59 -7.286 -6.878 6.877 480 2HB ARG 59 2HB ARG 59 -8.034 -5.513 6.058 481 1HG ARG 59 1HG ARG 59 -8.006 -8.340 5.023 482 2HG ARG 59 2HG ARG 59 -9.350 -7.583 5.881 483 1HD ARG 59 1HD ARG 59 -8.174 -6.651 3.263 484 2HD ARG 59 2HD ARG 59 -9.684 -7.542 3.455 485 HE ARG 59 HE ARG 59 -9.603 -5.102 4.963 486 1HH1 ARG 59 2HH1 ARG 59 -10.278 -6.511 1.852 487 2HH1 ARG 59 1HH1 ARG 59 -11.352 -5.241 1.365 488 1HH2 ARG 59 2HH2 ARG 59 -11.015 -3.425 4.334 489 2HH2 ARG 59 1HH2 ARG 59 -11.770 -3.486 2.777 490 H PHE 60 H PHE 60 -6.341 -3.757 4.567 491 HA PHE 60 HA PHE 60 -3.943 -2.963 5.914 492 1HB PHE 60 1HB PHE 60 -6.145 -1.403 4.561 493 2HB PHE 60 2HB PHE 60 -4.747 -0.635 5.306 494 HD1 PHE 60 1HD PHE 60 -6.059 -1.942 2.330 495 HD2 PHE 60 2HD PHE 60 -2.422 -1.557 4.507 496 HE1 PHE 60 1HE PHE 60 -4.784 -2.261 0.250 497 HE2 PHE 60 2HE PHE 60 -1.141 -1.875 2.430 498 HZ PHE 60 HZ PHE 60 -2.322 -2.227 0.298 499 H ARG 61 H ARG 61 -3.693 -2.276 7.941 500 HA ARG 61 HA ARG 61 -5.928 -1.144 9.412 501 1HB ARG 61 1HB ARG 61 -5.610 -3.810 9.650 502 2HB ARG 61 2HB ARG 61 -4.489 -3.269 10.892 503 1HG ARG 61 1HG ARG 61 -7.314 -2.272 10.774 504 2HG ARG 61 2HG ARG 61 -6.882 -3.773 11.596 505 1HD ARG 61 1HD ARG 61 -5.050 -2.171 12.682 506 2HD ARG 61 2HD ARG 61 -6.279 -0.961 12.316 507 HE ARG 61 HE ARG 61 -7.502 -1.772 14.058 508 1HH1 ARG 61 2HH1 ARG 61 -5.265 -4.236 13.038 509 2HH1 ARG 61 1HH1 ARG 61 -5.683 -5.329 14.315 510 1HH2 ARG 61 2HH2 ARG 61 -8.062 -3.201 15.745 511 2HH2 ARG 61 1HH2 ARG 61 -7.275 -4.739 15.854 512 H PHE 62 H PHE 62 -5.244 0.510 10.603 513 HA PHE 62 HA PHE 62 -2.369 0.856 10.990 514 1HB PHE 62 1HB PHE 62 -3.823 2.671 9.984 515 2HB PHE 62 2HB PHE 62 -4.553 2.858 11.575 516 HD1 PHE 62 1HD PHE 62 -3.676 4.427 13.004 517 HD2 PHE 62 2HD PHE 62 -1.192 2.785 9.963 518 HE1 PHE 62 1HE PHE 62 -1.870 5.968 13.652 519 HE2 PHE 62 2HE PHE 62 0.618 4.321 10.606 520 HZ PHE 62 HZ PHE 62 0.281 5.915 12.453 521 H ASP 63 H ASP 63 -1.530 1.591 13.042 522 HA ASP 63 HA ASP 63 -2.584 0.077 15.230 523 1HB ASP 63 1HB ASP 63 -0.131 0.494 14.779 524 2HB ASP 63 2HB ASP 63 -0.385 2.144 15.341 525 H GLY 64 H GLY 64 -4.676 1.513 14.772 526 1HA GLY 64 2HA GLY 64 -5.068 3.046 17.123 527 2HA GLY 64 3HA GLY 64 -4.878 4.114 15.741 528 H GLN 65 H GLN 65 -6.147 2.502 13.798 529 HA GLN 65 HA GLN 65 -8.796 1.865 14.741 530 1HB GLN 65 1HB GLN 65 -8.197 4.408 13.307 531 2HB GLN 65 2HB GLN 65 -9.680 3.557 12.894 532 1HG GLN 65 1HG GLN 65 -8.877 4.561 15.614 533 2HG GLN 65 2HG GLN 65 -10.132 5.221 14.566 534 1HE2 GLN 65 1HE2 GLN 65 -9.293 2.776 16.833 535 2HE2 GLN 65 2HE2 GLN 65 -10.855 2.051 16.962 536 HA PRO 66 HA PRO 66 -8.835 -0.766 11.233 537 1HB PRO 66 1HB PRO 66 -11.457 -0.761 10.531 538 2HB PRO 66 2HB PRO 66 -10.852 -1.572 11.980 539 1HG PRO 66 1HG PRO 66 -12.168 1.104 11.717 540 2HG PRO 66 2HG PRO 66 -12.430 -0.157 12.936 541 1HD PRO 66 1HD PRO 66 -10.902 2.028 13.405 542 2HD PRO 66 2HD PRO 66 -10.565 0.451 14.147 543 H ILE 67 H ILE 67 -9.309 -0.910 8.915 544 HA ILE 67 HA ILE 67 -9.873 1.633 7.587 545 HB ILE 67 HB ILE 67 -7.445 -0.015 6.880 546 1HG1 ILE 67 1HG1 ILE 67 -7.622 2.619 8.360 547 2HG1 ILE 67 2HG1 ILE 67 -7.127 1.078 9.051 548 1HG2 ILE 67 1HG2 ILE 67 -8.604 1.294 5.071 549 2HG2 ILE 67 2HG2 ILE 67 -8.188 2.754 5.966 550 3HG2 ILE 67 3HG2 ILE 67 -6.912 1.710 5.339 551 1HD1 ILE 67 1HD1 ILE 67 -5.531 3.038 7.799 552 2HD1 ILE 67 2HD1 ILE 67 -5.037 1.486 8.476 553 3HD1 ILE 67 3HD1 ILE 67 -5.507 1.599 6.780 554 H ASN 68 H ASN 68 -11.206 1.359 5.923 555 HA ASN 68 HA ASN 68 -11.503 -1.353 4.816 556 1HB ASN 68 1HB ASN 68 -13.483 0.911 5.087 557 2HB ASN 68 2HB ASN 68 -13.789 -0.513 4.097 558 1HD2 ASN 68 1HD2 ASN 68 -14.149 -2.488 5.080 559 2HD2 ASN 68 2HD2 ASN 68 -14.498 -2.632 6.766 560 H GLU 69 H GLU 69 -11.979 -1.541 2.535 561 HA GLU 69 HA GLU 69 -10.206 -0.222 0.881 562 1HB GLU 69 1HB GLU 69 -11.494 -1.132 -1.000 563 2HB GLU 69 2HB GLU 69 -11.267 -2.331 0.266 564 1HG GLU 69 1HG GLU 69 -13.592 -1.560 1.086 565 2HG GLU 69 2HG GLU 69 -13.752 -0.878 -0.531 566 H THR 70 H THR 70 -13.582 0.549 1.569 567 HA THR 70 HA THR 70 -13.863 2.611 -0.338 568 HB THR 70 HB THR 70 -15.386 2.855 2.195 569 HG1 THR 70 1HG THR 70 -16.470 0.965 1.927 570 1HG2 THR 70 1HG2 THR 70 -17.270 2.946 0.515 571 2HG2 THR 70 2HG2 THR 70 -16.042 2.858 -0.747 572 3HG2 THR 70 3HG2 THR 70 -16.063 4.222 0.370 573 H ASP 71 H ASP 71 -13.001 2.675 3.107 574 HA ASP 71 HA ASP 71 -12.867 5.404 3.507 575 1HB ASP 71 1HB ASP 71 -11.060 3.269 4.661 576 2HB ASP 71 2HB ASP 71 -11.224 4.906 5.292 577 H THR 72 H THR 72 -11.119 6.903 3.501 578 HA THR 72 HA THR 72 -9.009 6.251 1.547 579 HB THR 72 HB THR 72 -9.071 8.885 1.261 580 HG1 THR 72 1HG THR 72 -11.131 9.711 1.530 581 1HG2 THR 72 1HG2 THR 72 -9.463 7.994 -0.760 582 2HG2 THR 72 2HG2 THR 72 -11.172 8.222 -0.388 583 3HG2 THR 72 3HG2 THR 72 -10.404 6.664 -0.084 584 HA PRO 73 HA PRO 73 -5.953 7.471 4.451 585 1HB PRO 73 1HB PRO 73 -4.133 8.724 2.874 586 2HB PRO 73 2HB PRO 73 -4.379 6.974 2.852 587 1HG PRO 73 1HG PRO 73 -5.432 9.059 0.980 588 2HG PRO 73 2HG PRO 73 -4.751 7.464 0.610 589 1HD PRO 73 1HD PRO 73 -7.417 7.936 0.651 590 2HD PRO 73 2HD PRO 73 -6.717 6.369 1.108 591 H ALA 74 H ALA 74 -7.777 9.782 2.778 592 HA ALA 74 HA ALA 74 -6.510 12.140 3.805 593 1HB ALA 74 1HB ALA 74 -8.125 13.346 2.677 594 2HB ALA 74 2HB ALA 74 -8.030 11.869 1.716 595 3HB ALA 74 3HB ALA 74 -9.348 12.089 2.868 596 H GLN 75 H GLN 75 -9.445 10.313 4.631 597 HA GLN 75 HA GLN 75 -9.805 11.948 7.022 598 1HB GLN 75 1HB GLN 75 -11.510 9.901 5.627 599 2HB GLN 75 2HB GLN 75 -11.887 10.447 7.256 600 1HG GLN 75 1HG GLN 75 -11.977 12.770 6.406 601 2HG GLN 75 2HG GLN 75 -11.736 12.142 4.776 602 1HE2 GLN 75 1HE2 GLN 75 -13.881 12.042 7.565 603 2HE2 GLN 75 2HE2 GLN 75 -15.317 11.674 6.678 604 H LEU 76 H LEU 76 -7.656 9.843 6.561 605 HA LEU 76 HA LEU 76 -8.237 8.201 8.939 606 1HB LEU 76 1HB LEU 76 -7.090 7.553 6.328 607 2HB LEU 76 2HB LEU 76 -6.146 6.950 7.689 608 HG LEU 76 HG LEU 76 -7.776 5.315 6.746 609 1HD1 LEU 76 1HD1 LEU 76 -6.945 5.055 9.002 610 2HD1 LEU 76 2HD1 LEU 76 -8.646 4.597 8.931 611 3HD1 LEU 76 3HD1 LEU 76 -8.181 6.155 9.613 612 1HD2 LEU 76 1HD2 LEU 76 -10.008 5.666 6.677 613 2HD2 LEU 76 2HD2 LEU 76 -9.507 7.355 6.582 614 3HD2 LEU 76 3HD2 LEU 76 -10.008 6.669 8.128 615 H GLU 77 H GLU 77 -6.139 10.496 7.480 616 HA GLU 77 HA GLU 77 -4.332 11.643 8.250 617 1HB GLU 77 1HB GLU 77 -4.880 10.393 10.941 618 2HB GLU 77 2HB GLU 77 -4.037 11.899 10.610 619 1HG GLU 77 1HG GLU 77 -6.360 12.523 9.504 620 2HG GLU 77 2HG GLU 77 -6.940 11.317 10.651 621 H MET 78 H MET 78 -3.957 9.060 7.108 622 HA MET 78 HA MET 78 -1.722 7.952 8.652 623 1HB MET 78 1HB MET 78 -1.865 6.070 6.987 624 2HB MET 78 2HB MET 78 -3.283 6.269 8.007 625 1HG MET 78 1HG MET 78 -4.578 7.088 6.273 626 2HG MET 78 2HG MET 78 -3.175 7.544 5.310 627 1HE MET 78 1HE MET 78 -6.012 5.225 4.588 628 2HE MET 78 2HE MET 78 -5.504 3.718 5.350 629 3HE MET 78 3HE MET 78 -5.715 5.173 6.326 630 H GLU 79 H GLU 79 -0.610 10.040 7.973 631 HA GLU 79 HA GLU 79 0.812 9.543 5.447 632 1HB GLU 79 1HB GLU 79 0.451 12.363 6.312 633 2HB GLU 79 2HB GLU 79 0.576 11.691 4.692 634 1HG GLU 79 1HG GLU 79 -1.724 10.780 4.966 635 2HG GLU 79 2HG GLU 79 -1.829 11.649 6.496 636 H ASP 80 H ASP 80 2.647 11.571 5.570 637 HA ASP 80 HA ASP 80 4.665 12.134 6.458 638 1HB ASP 80 1HB ASP 80 3.659 11.467 9.206 639 2HB ASP 80 2HB ASP 80 4.758 12.750 8.708 640 H GLU 81 H GLU 81 4.499 9.592 5.475 641 HA GLU 81 HA GLU 81 5.636 7.622 5.436 642 1HB GLU 81 1HB GLU 81 7.198 8.629 7.811 643 2HB GLU 81 2HB GLU 81 7.701 7.440 6.617 644 1HG GLU 81 1HG GLU 81 7.768 9.168 4.905 645 2HG GLU 81 2HG GLU 81 7.233 10.365 6.082 646 H ASP 82 H ASP 82 3.217 7.607 6.733 647 HA ASP 82 HA ASP 82 3.436 6.341 9.305 648 1HB ASP 82 1HB ASP 82 1.318 7.403 7.635 649 2HB ASP 82 2HB ASP 82 0.875 5.834 8.302 650 H THR 83 H THR 83 3.718 4.252 9.713 651 HA THR 83 HA THR 83 3.740 2.374 7.481 652 HB THR 83 HB THR 83 4.535 1.775 10.328 653 HG1 THR 83 1HG THR 83 5.751 3.567 9.539 654 1HG2 THR 83 1HG2 THR 83 4.341 0.204 8.011 655 2HG2 THR 83 2HG2 THR 83 5.105 -0.231 9.540 656 3HG2 THR 83 3HG2 THR 83 6.063 0.497 8.251 657 H ILE 84 H ILE 84 1.971 1.249 7.039 658 HA ILE 84 HA ILE 84 -0.073 0.868 9.074 659 HB ILE 84 HB ILE 84 -0.158 -0.042 6.200 660 1HG1 ILE 84 1HG1 ILE 84 -1.121 2.569 7.388 661 2HG1 ILE 84 2HG1 ILE 84 0.259 2.382 6.312 662 1HG2 ILE 84 1HG2 ILE 84 -2.593 0.043 6.546 663 2HG2 ILE 84 2HG2 ILE 84 -1.801 -1.098 7.632 664 3HG2 ILE 84 3HG2 ILE 84 -2.322 0.475 8.234 665 1HD1 ILE 84 1HD1 ILE 84 -2.471 2.778 5.657 666 2HD1 ILE 84 2HD1 ILE 84 -1.080 2.653 4.580 667 3HD1 ILE 84 3HD1 ILE 84 -1.971 1.203 5.043 668 H ASP 85 H ASP 85 -0.815 -1.115 9.795 669 HA ASP 85 HA ASP 85 1.050 -3.348 9.389 670 1HB ASP 85 1HB ASP 85 -0.807 -2.598 11.631 671 2HB ASP 85 2HB ASP 85 -0.212 -4.249 11.470 672 H VAL 86 H VAL 86 0.438 -5.064 8.255 673 HA VAL 86 HA VAL 86 -2.294 -5.248 7.300 674 HB VAL 86 HB VAL 86 -0.184 -5.652 5.887 675 1HG1 VAL 86 1HG1 VAL 86 -0.314 -8.502 6.593 676 2HG1 VAL 86 2HG1 VAL 86 1.072 -7.499 6.161 677 3HG1 VAL 86 3HG1 VAL 86 0.433 -7.462 7.804 678 1HG2 VAL 86 1HG2 VAL 86 -2.199 -7.869 5.712 679 2HG2 VAL 86 2HG2 VAL 86 -2.630 -6.199 5.342 680 3HG2 VAL 86 3HG2 VAL 86 -1.377 -7.015 4.406 681 H PHE 87 H PHE 87 -3.433 -7.341 7.307 682 HA PHE 87 HA PHE 87 -3.038 -8.713 9.879 683 1HB PHE 87 1HB PHE 87 -5.194 -7.584 9.684 684 2HB PHE 87 2HB PHE 87 -5.530 -8.443 8.185 685 HD1 PHE 87 1HD PHE 87 -7.309 -9.851 8.563 686 HD2 PHE 87 2HD PHE 87 -4.199 -9.621 11.459 687 HE1 PHE 87 1HE PHE 87 -8.370 -11.666 9.842 688 HE2 PHE 87 2HE PHE 87 -5.253 -11.436 12.741 689 HZ PHE 87 HZ PHE 87 -7.341 -12.462 11.933 690 H GLN 88 H GLN 88 -2.366 -10.749 9.856 691 HA GLN 88 HA GLN 88 -3.208 -12.613 7.839 692 1HB GLN 88 1HB GLN 88 -0.782 -13.200 7.262 693 2HB GLN 88 2HB GLN 88 -1.468 -11.764 6.513 694 1HG GLN 88 1HG GLN 88 -0.336 -10.351 8.124 695 2HG GLN 88 2HG GLN 88 0.307 -11.773 8.944 696 1HE2 GLN 88 1HE2 GLN 88 1.623 -9.485 7.587 697 2HE2 GLN 88 2HE2 GLN 88 2.693 -10.200 6.435 698 H GLN 89 H GLN 89 -3.649 -14.372 8.975 699 HA GLN 89 HA GLN 89 -2.084 -14.939 11.391 700 1HB GLN 89 1HB GLN 89 -4.473 -14.778 11.759 701 2HB GLN 89 2HB GLN 89 -4.783 -15.953 10.487 702 1HG GLN 89 1HG GLN 89 -5.017 -16.955 12.683 703 2HG GLN 89 2HG GLN 89 -3.679 -17.681 11.795 704 1HE2 GLN 89 1HE2 GLN 89 -1.776 -17.799 12.767 705 2HE2 GLN 89 2HE2 GLN 89 -1.329 -16.963 14.211 706 H GLN 90 H GLN 90 -3.848 -17.070 9.158 707 HA GLN 90 HA GLN 90 -1.430 -18.748 9.008 708 1HB GLN 90 1HB GLN 90 -2.992 -20.647 8.591 709 2HB GLN 90 2HB GLN 90 -3.167 -19.921 10.183 710 1HG GLN 90 1HG GLN 90 -5.080 -18.585 9.234 711 2HG GLN 90 2HG GLN 90 -4.974 -19.613 7.805 712 1HE2 GLN 90 1HE2 GLN 90 -5.016 -19.988 11.338 713 2HE2 GLN 90 2HE2 GLN 90 -6.144 -21.297 11.355 714 H THR 91 H THR 91 -0.466 -18.609 7.102 715 HA THR 91 HA THR 91 -2.134 -18.529 4.680 716 HB THR 91 HB THR 91 -0.669 -16.955 3.609 717 HG1 THR 91 1HG THR 91 0.842 -16.941 6.029 718 1HG2 THR 91 1HG2 THR 91 -2.458 -16.120 5.203 719 2HG2 THR 91 2HG2 THR 91 -1.166 -14.981 4.824 720 3HG2 THR 91 3HG2 THR 91 -1.161 -15.840 6.364 721 H GLY 92 H GLY 92 -0.714 -19.004 2.681 722 1HA GLY 92 2HA GLY 92 0.803 -21.432 3.303 723 2HA GLY 92 3HA GLY 92 0.146 -20.997 1.732 724 H GLY 93 H GLY 93 1.806 -18.521 3.442 725 1HA GLY 93 2HA GLY 93 3.955 -18.643 1.456 726 2HA GLY 93 3HA GLY 93 3.557 -17.263 2.468 727 H VAL 94 H VAL 94 5.813 -17.092 2.957 728 HA VAL 94 HA VAL 94 6.737 -19.115 4.894 729 HB VAL 94 HB VAL 94 9.040 -18.460 4.338 730 1HG1 VAL 94 1HG1 VAL 94 8.270 -20.370 3.195 731 2HG1 VAL 94 2HG1 VAL 94 7.274 -19.411 2.098 732 3HG1 VAL 94 3HG1 VAL 94 9.032 -19.363 1.963 733 1HG2 VAL 94 1HG2 VAL 94 7.705 -16.302 3.008 734 2HG2 VAL 94 2HG2 VAL 94 9.424 -16.513 3.338 735 3HG2 VAL 94 3HG2 VAL 94 8.723 -17.172 1.860 736 H TYR 95 H TYR 95 5.059 -16.904 5.565 737 HA TYR 95 HA TYR 95 6.917 -15.314 7.211 738 1HB TYR 95 1HB TYR 95 4.221 -14.421 6.171 739 2HB TYR 95 2HB TYR 95 5.367 -13.450 7.090 740 HD1 TYR 95 1HD TYR 95 7.895 -13.793 5.850 741 HD2 TYR 95 2HD TYR 95 4.064 -13.655 4.004 742 HE1 TYR 95 1HE TYR 95 8.938 -13.034 3.756 743 HE2 TYR 95 2HE TYR 95 5.096 -12.898 1.905 744 HH TYR 95 HH TYR 95 8.541 -12.161 1.712 Start of MODEL 4 1 1H MET 1 1H MET 1 15.151 -7.132 6.669 2 HA MET 1 HA MET 1 17.079 -5.360 8.023 3 1HB MET 1 1HB MET 1 18.723 -7.098 7.921 4 2HB MET 1 2HB MET 1 17.264 -7.787 8.620 5 1HG MET 1 1HG MET 1 16.708 -8.851 6.537 6 2HG MET 1 2HG MET 1 18.064 -8.063 5.734 7 1HE MET 1 1HE MET 1 16.714 -10.915 7.647 8 2HE MET 1 2HE MET 1 18.088 -11.815 8.289 9 3HE MET 1 3HE MET 1 17.545 -10.341 9.093 10 H ALA 2 H ALA 2 16.016 -6.777 5.015 11 HA ALA 2 HA ALA 2 18.162 -5.496 3.515 12 1HB ALA 2 1HB ALA 2 16.526 -6.572 1.629 13 2HB ALA 2 2HB ALA 2 17.868 -7.420 2.398 14 3HB ALA 2 3HB ALA 2 16.226 -7.637 3.004 15 H ASP 3 H ASP 3 17.967 -3.606 2.498 16 HA ASP 3 HA ASP 3 15.595 -2.043 2.801 17 1HB ASP 3 1HB ASP 3 18.209 -1.574 1.373 18 2HB ASP 3 2HB ASP 3 16.896 -0.401 1.339 19 H GLU 4 H GLU 4 14.938 -0.714 0.704 20 HA GLU 4 HA GLU 4 14.231 -2.728 -1.324 21 1HB GLU 4 1HB GLU 4 12.752 -0.451 -0.112 22 2HB GLU 4 2HB GLU 4 12.445 -0.799 -1.808 23 1HG GLU 4 1HG GLU 4 12.195 -3.263 -0.866 24 2HG GLU 4 2HG GLU 4 11.790 -2.383 0.606 25 H LYS 5 H LYS 5 13.546 -1.462 -3.465 26 HA LYS 5 HA LYS 5 15.249 0.767 -4.113 27 1HB LYS 5 1HB LYS 5 16.570 -1.528 -4.274 28 2HB LYS 5 2HB LYS 5 15.738 -1.631 -5.821 29 1HG LYS 5 1HG LYS 5 17.118 0.912 -5.200 30 2HG LYS 5 2HG LYS 5 18.125 -0.497 -5.543 31 1HD LYS 5 1HD LYS 5 15.845 0.240 -7.345 32 2HD LYS 5 2HD LYS 5 17.414 1.035 -7.500 33 1HE LYS 5 1HE LYS 5 17.771 -0.686 -8.935 34 2HE LYS 5 2HE LYS 5 18.245 -1.495 -7.443 35 1HZ LYS 5 1HZ LYS 5 15.425 -1.634 -8.120 36 2HZ LYS 5 2HZ LYS 5 16.447 -2.824 -7.489 37 3HZ LYS 5 3HZ LYS 5 16.465 -2.486 -9.147 38 HA PRO 6 HA PRO 6 11.293 0.410 -6.511 39 1HB PRO 6 1HB PRO 6 10.513 2.969 -6.050 40 2HB PRO 6 2HB PRO 6 10.151 1.640 -4.942 41 1HG PRO 6 1HG PRO 6 12.319 3.698 -4.786 42 2HG PRO 6 2HG PRO 6 11.271 3.077 -3.498 43 1HD PRO 6 1HD PRO 6 13.818 2.224 -3.841 44 2HD PRO 6 2HD PRO 6 12.533 1.169 -3.217 45 H LYS 7 H LYS 7 10.732 1.445 -8.487 46 HA LYS 7 HA LYS 7 13.026 2.613 -9.846 47 1HB LYS 7 1HB LYS 7 10.335 1.770 -10.938 48 2HB LYS 7 2HB LYS 7 11.726 2.261 -11.896 49 1HG LYS 7 1HG LYS 7 12.825 0.294 -11.567 50 2HG LYS 7 2HG LYS 7 12.074 0.008 -9.996 51 1HD LYS 7 1HD LYS 7 10.167 -0.896 -10.923 52 2HD LYS 7 2HD LYS 7 10.379 -0.040 -12.452 53 1HE LYS 7 1HE LYS 7 12.485 -1.517 -12.713 54 2HE LYS 7 2HE LYS 7 11.744 -2.519 -11.466 55 1HZ LYS 7 1HZ LYS 7 9.743 -2.632 -12.908 56 2HZ LYS 7 2HZ LYS 7 11.110 -3.371 -13.577 57 3HZ LYS 7 3HZ LYS 7 10.617 -1.850 -14.128 58 H GLU 8 H GLU 8 9.713 3.444 -8.964 59 HA GLU 8 HA GLU 8 9.765 5.983 -10.297 60 1HB GLU 8 1HB GLU 8 7.874 4.586 -8.448 61 2HB GLU 8 2HB GLU 8 7.695 6.316 -8.706 62 1HG GLU 8 1HG GLU 8 7.841 4.394 -10.999 63 2HG GLU 8 2HG GLU 8 6.326 4.736 -10.167 64 H GLY 9 H GLY 9 11.891 6.561 -9.267 65 1HA GLY 9 2HA GLY 9 11.510 7.668 -6.560 66 2HA GLY 9 3HA GLY 9 13.065 7.255 -7.266 67 H VAL 10 H VAL 10 11.975 8.525 -9.850 68 HA VAL 10 HA VAL 10 12.189 11.346 -9.058 69 HB VAL 10 HB VAL 10 13.772 10.065 -11.290 70 1HG1 VAL 10 1HG1 VAL 10 13.115 12.864 -10.629 71 2HG1 VAL 10 2HG1 VAL 10 14.799 12.537 -11.043 72 3HG1 VAL 10 3HG1 VAL 10 13.514 12.126 -12.180 73 1HG2 VAL 10 1HG2 VAL 10 15.418 11.443 -9.460 74 2HG2 VAL 10 2HG2 VAL 10 14.340 10.418 -8.513 75 3HG2 VAL 10 3HG2 VAL 10 15.353 9.708 -9.770 76 H LYS 11 H LYS 11 10.891 12.708 -10.159 77 HA LYS 11 HA LYS 11 9.847 12.073 -12.760 78 1HB LYS 11 1HB LYS 11 8.442 10.899 -10.806 79 2HB LYS 11 2HB LYS 11 7.684 12.485 -10.762 80 1HG LYS 11 1HG LYS 11 6.378 11.141 -12.199 81 2HG LYS 11 2HG LYS 11 7.286 12.249 -13.232 82 1HD LYS 11 1HD LYS 11 8.930 10.474 -13.663 83 2HD LYS 11 2HD LYS 11 7.992 9.370 -12.655 84 1HE LYS 11 1HE LYS 11 6.047 10.059 -14.284 85 2HE LYS 11 2HE LYS 11 7.383 10.466 -15.360 86 1HZ LYS 11 1HZ LYS 11 8.065 8.017 -14.433 87 2HZ LYS 11 2HZ LYS 11 7.318 8.324 -15.919 88 3HZ LYS 11 3HZ LYS 11 6.384 7.888 -14.577 89 H THR 12 H THR 12 8.603 13.818 -13.677 90 HA THR 12 HA THR 12 8.970 16.371 -12.250 91 HB THR 12 HB THR 12 9.217 17.434 -14.509 92 HG1 THR 12 1HG THR 12 8.379 15.832 -15.839 93 1HG2 THR 12 1HG2 THR 12 11.107 16.248 -12.918 94 2HG2 THR 12 2HG2 THR 12 11.450 17.292 -14.298 95 3HG2 THR 12 3HG2 THR 12 11.449 15.540 -14.497 96 H GLU 13 H GLU 13 7.051 17.137 -11.662 97 HA GLU 13 HA GLU 13 5.039 17.799 -13.505 98 1HB GLU 13 1HB GLU 13 4.907 15.141 -12.971 99 2HB GLU 13 2HB GLU 13 3.864 15.775 -11.706 100 1HG GLU 13 1HG GLU 13 2.390 16.745 -13.269 101 2HG GLU 13 2HG GLU 13 3.526 16.512 -14.596 102 H ASN 14 H ASN 14 2.992 18.532 -12.355 103 HA ASN 14 HA ASN 14 3.720 19.620 -9.715 104 1HB ASN 14 1HB ASN 14 1.775 21.304 -10.538 105 2HB ASN 14 2HB ASN 14 3.486 21.573 -10.856 106 1HD2 ASN 14 1HD2 ASN 14 4.325 20.969 -12.916 107 2HD2 ASN 14 2HD2 ASN 14 3.287 20.920 -14.297 108 H ASN 15 H ASN 15 2.821 17.564 -8.892 109 HA ASN 15 HA ASN 15 -0.083 17.817 -8.524 110 1HB ASN 15 1HB ASN 15 1.445 15.283 -9.142 111 2HB ASN 15 2HB ASN 15 -0.207 15.298 -8.531 112 1HD2 ASN 15 1HD2 ASN 15 -1.759 15.265 -9.982 113 2HD2 ASN 15 2HD2 ASN 15 -1.610 15.721 -11.641 114 H ASP 16 H ASP 16 -0.673 16.019 -6.720 115 HA ASP 16 HA ASP 16 0.663 16.941 -4.357 116 1HB ASP 16 1HB ASP 16 -1.673 15.174 -4.941 117 2HB ASP 16 2HB ASP 16 -0.927 15.079 -3.348 118 H HIS 17 H HIS 17 1.372 15.364 -2.649 119 HA HIS 17 HA HIS 17 2.337 12.799 -3.502 120 1HB HIS 17 1HB HIS 17 4.112 14.026 -4.502 121 2HB HIS 17 2HB HIS 17 4.260 15.090 -3.106 122 HD1 HIS 17 1HD HIS 17 5.879 14.407 -1.321 123 HD2 HIS 17 2HD HIS 17 5.084 11.338 -4.007 124 HE1 HIS 17 1HE HIS 17 7.499 12.572 -0.744 125 H ILE 18 H ILE 18 2.188 11.507 -1.798 126 HA ILE 18 HA ILE 18 2.689 12.625 0.877 127 HB ILE 18 HB ILE 18 0.833 11.513 1.829 128 1HG1 ILE 18 1HG1 ILE 18 0.438 10.188 -0.863 129 2HG1 ILE 18 2HG1 ILE 18 0.987 9.404 0.615 130 1HG2 ILE 18 1HG2 ILE 18 0.341 13.609 0.596 131 2HG2 ILE 18 2HG2 ILE 18 -0.152 12.636 -0.788 132 3HG2 ILE 18 3HG2 ILE 18 -1.047 12.529 0.728 133 1HD1 ILE 18 1HD1 ILE 18 -1.363 8.939 0.123 134 2HD1 ILE 18 2HD1 ILE 18 -1.163 9.799 1.650 135 3HD1 ILE 18 3HD1 ILE 18 -1.716 10.664 0.217 136 H ASN 19 H ASN 19 2.421 10.435 2.420 137 HA ASN 19 HA ASN 19 4.214 8.417 1.251 138 1HB ASN 19 1HB ASN 19 5.166 10.231 2.979 139 2HB ASN 19 2HB ASN 19 4.534 9.062 4.136 140 1HD2 ASN 19 1HD2 ASN 19 5.178 6.758 3.672 141 2HD2 ASN 19 2HD2 ASN 19 6.818 6.494 3.194 142 H LEU 20 H LEU 20 3.967 6.309 2.008 143 HA LEU 20 HA LEU 20 1.892 5.775 3.985 144 1HB LEU 20 1HB LEU 20 1.119 5.823 1.431 145 2HB LEU 20 2HB LEU 20 1.729 4.172 1.499 146 HG LEU 20 HG LEU 20 -0.698 4.299 1.858 147 1HD1 LEU 20 1HD1 LEU 20 1.128 2.800 3.230 148 2HD1 LEU 20 2HD1 LEU 20 -0.617 2.550 3.247 149 3HD1 LEU 20 3HD1 LEU 20 0.152 3.483 4.530 150 1HD2 LEU 20 1HD2 LEU 20 -0.080 5.698 4.449 151 2HD2 LEU 20 2HD2 LEU 20 -1.660 5.361 3.741 152 3HD2 LEU 20 3HD2 LEU 20 -0.594 6.551 2.993 153 H LYS 21 H LYS 21 2.231 3.938 5.140 154 HA LYS 21 HA LYS 21 4.454 2.203 4.285 155 1HB LYS 21 1HB LYS 21 3.814 3.204 7.062 156 2HB LYS 21 2HB LYS 21 4.962 1.914 6.730 157 1HG LYS 21 1HG LYS 21 5.955 3.783 5.104 158 2HG LYS 21 2HG LYS 21 5.205 4.828 6.313 159 1HD LYS 21 1HD LYS 21 6.413 3.232 8.002 160 2HD LYS 21 2HD LYS 21 7.442 2.872 6.614 161 1HE LYS 21 1HE LYS 21 7.651 5.426 6.379 162 2HE LYS 21 2HE LYS 21 7.026 5.486 8.026 163 1HZ LYS 21 1HZ LYS 21 9.075 5.114 8.734 164 2HZ LYS 21 2HZ LYS 21 9.648 4.924 7.154 165 3HZ LYS 21 3HZ LYS 21 9.048 3.589 8.003 166 H VAL 22 H VAL 22 3.426 0.414 3.601 167 HA VAL 22 HA VAL 22 1.154 -0.632 5.099 168 HB VAL 22 HB VAL 22 1.105 -2.361 3.260 169 1HG1 VAL 22 1HG1 VAL 22 0.929 0.507 2.344 170 2HG1 VAL 22 2HG1 VAL 22 0.074 -0.879 1.664 171 3HG1 VAL 22 3HG1 VAL 22 -0.304 -0.322 3.294 172 1HG2 VAL 22 1HG2 VAL 22 2.740 -2.505 1.759 173 2HG2 VAL 22 2HG2 VAL 22 2.615 -0.788 1.378 174 3HG2 VAL 22 3HG2 VAL 22 3.642 -1.323 2.708 175 H ALA 23 H ALA 23 1.693 -1.757 6.864 176 HA ALA 23 HA ALA 23 3.659 -3.923 6.556 177 1HB ALA 23 1HB ALA 23 4.839 -2.264 7.773 178 2HB ALA 23 2HB ALA 23 3.462 -1.968 8.836 179 3HB ALA 23 3HB ALA 23 4.344 -3.492 8.938 180 H GLY 24 H GLY 24 2.930 -5.860 7.179 181 1HA GLY 24 2HA GLY 24 0.266 -6.048 8.311 182 2HA GLY 24 3HA GLY 24 1.251 -7.382 7.727 183 H GLN 25 H GLN 25 -0.302 -6.898 10.268 184 HA GLN 25 HA GLN 25 1.434 -6.555 12.433 185 1HB GLN 25 1HB GLN 25 -0.924 -6.452 12.803 186 2HB GLN 25 2HB GLN 25 -1.156 -8.080 12.178 187 1HG GLN 25 1HG GLN 25 0.596 -7.705 14.549 188 2HG GLN 25 2HG GLN 25 -1.150 -7.585 14.756 189 1HE2 GLN 25 1HE2 GLN 25 0.648 -9.565 15.833 190 2HE2 GLN 25 2HE2 GLN 25 0.118 -11.096 15.234 191 H ASP 26 H ASP 26 1.113 -9.155 10.244 192 HA ASP 26 HA ASP 26 2.131 -11.197 11.996 193 1HB ASP 26 1HB ASP 26 1.798 -11.135 8.990 194 2HB ASP 26 2HB ASP 26 2.270 -12.556 9.918 195 H GLY 27 H GLY 27 3.480 -10.094 8.889 196 1HA GLY 27 2HA GLY 27 6.009 -9.394 10.043 197 2HA GLY 27 3HA GLY 27 6.056 -10.959 9.244 198 H SER 28 H SER 28 4.570 -7.804 8.493 199 HA SER 28 HA SER 28 6.074 -7.784 5.971 200 1HB SER 28 1HB SER 28 4.053 -8.483 5.090 201 2HB SER 28 2HB SER 28 3.108 -7.667 6.336 202 HG SER 28 HG SER 28 2.826 -6.364 4.652 203 H VAL 29 H VAL 29 6.455 -5.715 5.084 204 HA VAL 29 HA VAL 29 5.486 -3.312 6.209 205 HB VAL 29 HB VAL 29 6.828 -3.827 8.133 206 1HG1 VAL 29 1HG1 VAL 29 8.663 -5.067 7.990 207 2HG1 VAL 29 2HG1 VAL 29 8.565 -5.010 6.229 208 3HG1 VAL 29 3HG1 VAL 29 9.476 -3.778 7.103 209 1HG2 VAL 29 1HG2 VAL 29 6.855 -1.488 7.025 210 2HG2 VAL 29 2HG2 VAL 29 8.005 -1.835 8.317 211 3HG2 VAL 29 3HG2 VAL 29 8.531 -1.874 6.634 212 H VAL 30 H VAL 30 5.487 -2.058 4.473 213 HA VAL 30 HA VAL 30 7.939 -1.753 2.921 214 HB VAL 30 HB VAL 30 5.296 -2.334 1.580 215 1HG1 VAL 30 1HG1 VAL 30 6.880 -2.555 -0.427 216 2HG1 VAL 30 2HG1 VAL 30 6.499 -0.931 0.149 217 3HG1 VAL 30 3HG1 VAL 30 8.042 -1.677 0.566 218 1HG2 VAL 30 1HG2 VAL 30 6.327 -4.444 0.868 219 2HG2 VAL 30 2HG2 VAL 30 7.743 -4.079 1.854 220 3HG2 VAL 30 3HG2 VAL 30 6.179 -4.348 2.623 221 H GLN 31 H GLN 31 8.125 0.228 1.868 222 HA GLN 31 HA GLN 31 6.078 2.210 2.611 223 1HB GLN 31 1HB GLN 31 9.019 2.666 2.077 224 2HB GLN 31 2HB GLN 31 7.856 3.886 2.578 225 1HG GLN 31 1HG GLN 31 7.980 3.298 4.727 226 2HG GLN 31 2HG GLN 31 7.984 1.574 4.356 227 1HE2 GLN 31 1HE2 GLN 31 9.632 0.943 5.640 228 2HE2 GLN 31 2HE2 GLN 31 11.265 1.476 5.458 229 H PHE 32 H PHE 32 5.508 3.822 1.113 230 HA PHE 32 HA PHE 32 6.531 3.643 -1.598 231 1HB PHE 32 1HB PHE 32 3.977 2.491 -0.785 232 2HB PHE 32 2HB PHE 32 3.801 3.678 -2.073 233 HD1 PHE 32 1HD PHE 32 5.236 0.445 -1.136 234 HD2 PHE 32 2HD PHE 32 4.701 3.278 -4.267 235 HE1 PHE 32 1HE PHE 32 5.945 -1.243 -2.780 236 HE2 PHE 32 2HE PHE 32 5.408 1.595 -5.916 237 HZ PHE 32 HZ PHE 32 6.030 -0.669 -5.174 238 H LYS 33 H LYS 33 5.909 5.428 -2.931 239 HA LYS 33 HA LYS 33 4.753 7.693 -1.444 240 1HB LYS 33 1HB LYS 33 6.345 9.127 -2.845 241 2HB LYS 33 2HB LYS 33 7.043 8.216 -1.513 242 1HG LYS 33 1HG LYS 33 7.729 6.470 -3.135 243 2HG LYS 33 2HG LYS 33 7.143 7.508 -4.437 244 1HD LYS 33 1HD LYS 33 9.202 8.400 -2.430 245 2HD LYS 33 2HD LYS 33 9.624 7.620 -3.956 246 1HE LYS 33 1HE LYS 33 7.783 9.957 -4.017 247 2HE LYS 33 2HE LYS 33 9.497 10.250 -3.730 248 1HZ LYS 33 1HZ LYS 33 10.003 9.070 -5.779 249 2HZ LYS 33 2HZ LYS 33 8.967 10.373 -6.079 250 3HZ LYS 33 3HZ LYS 33 8.356 8.796 -6.056 251 H ILE 34 H ILE 34 3.122 8.700 -2.433 252 HA ILE 34 HA ILE 34 2.934 8.871 -5.297 253 HB ILE 34 HB ILE 34 1.997 6.564 -4.622 254 1HG1 ILE 34 1HG1 ILE 34 -0.140 7.999 -6.068 255 2HG1 ILE 34 2HG1 ILE 34 1.485 8.241 -6.700 256 1HG2 ILE 34 1HG2 ILE 34 0.633 7.866 -2.753 257 2HG2 ILE 34 2HG2 ILE 34 -0.556 7.958 -4.051 258 3HG2 ILE 34 3HG2 ILE 34 0.027 6.388 -3.498 259 1HD1 ILE 34 1HD1 ILE 34 1.556 5.606 -6.490 260 2HD1 ILE 34 2HD1 ILE 34 -0.190 5.803 -6.646 261 3HD1 ILE 34 3HD1 ILE 34 0.882 6.419 -7.903 262 H LYS 35 H LYS 35 0.950 10.065 -5.973 263 HA LYS 35 HA LYS 35 0.633 12.406 -4.462 264 1HB LYS 35 1HB LYS 35 -1.214 12.925 -6.046 265 2HB LYS 35 2HB LYS 35 0.273 12.431 -6.846 266 1HG LYS 35 1HG LYS 35 -0.986 10.051 -6.624 267 2HG LYS 35 2HG LYS 35 -2.364 11.141 -6.787 268 1HD LYS 35 1HD LYS 35 -1.863 11.668 -8.929 269 2HD LYS 35 2HD LYS 35 -0.121 11.610 -8.646 270 1HE LYS 35 1HE LYS 35 -0.443 9.068 -8.463 271 2HE LYS 35 2HE LYS 35 -2.014 9.350 -9.213 272 1HZ LYS 35 1HZ LYS 35 -0.727 10.558 -11.004 273 2HZ LYS 35 2HZ LYS 35 -0.559 8.876 -10.964 274 3HZ LYS 35 3HZ LYS 35 0.670 9.862 -10.349 275 H ARG 36 H ARG 36 -1.902 13.135 -4.222 276 HA ARG 36 HA ARG 36 -2.893 11.373 -2.113 277 1HB ARG 36 1HB ARG 36 -2.560 13.759 -1.594 278 2HB ARG 36 2HB ARG 36 -3.714 14.188 -2.850 279 1HG ARG 36 1HG ARG 36 -5.524 13.327 -1.641 280 2HG ARG 36 2HG ARG 36 -4.473 12.418 -0.552 281 1HD ARG 36 1HD ARG 36 -5.300 14.319 0.637 282 2HD ARG 36 2HD ARG 36 -3.592 14.593 0.293 283 HE ARG 36 HE ARG 36 -4.928 15.774 -1.783 284 1HH1 ARG 36 2HH1 ARG 36 -4.957 16.078 1.685 285 2HH1 ARG 36 1HH1 ARG 36 -5.392 17.755 1.665 286 1HH2 ARG 36 2HH2 ARG 36 -5.501 17.982 -1.822 287 2HH2 ARG 36 1HH2 ARG 36 -5.702 18.836 -0.330 288 H HIS 37 H HIS 37 -3.438 11.924 -5.351 289 HA HIS 37 HA HIS 37 -6.198 10.913 -5.144 290 1HB HIS 37 1HB HIS 37 -6.580 12.027 -7.375 291 2HB HIS 37 2HB HIS 37 -6.341 13.131 -6.023 292 HD1 HIS 37 1HD HIS 37 -5.133 12.388 -9.362 293 HD2 HIS 37 2HD HIS 37 -3.615 14.231 -5.962 294 HE1 HIS 37 1HE HIS 37 -3.151 13.721 -10.148 295 H THR 38 H THR 38 -4.442 8.992 -5.064 296 HA THR 38 HA THR 38 -4.139 8.012 -7.827 297 HB THR 38 HB THR 38 -2.119 8.304 -6.060 298 HG1 THR 38 1HG THR 38 -2.225 7.500 -8.367 299 1HG2 THR 38 1HG2 THR 38 -1.554 6.229 -5.019 300 2HG2 THR 38 2HG2 THR 38 -2.913 5.407 -5.786 301 3HG2 THR 38 3HG2 THR 38 -3.206 6.622 -4.542 302 HA PRO 39 HA PRO 39 -7.023 4.810 -6.932 303 1HB PRO 39 1HB PRO 39 -6.224 2.973 -8.765 304 2HB PRO 39 2HB PRO 39 -7.098 4.447 -9.200 305 1HG PRO 39 1HG PRO 39 -4.163 3.876 -9.338 306 2HG PRO 39 2HG PRO 39 -5.199 4.698 -10.518 307 1HD PRO 39 1HD PRO 39 -3.592 6.043 -8.804 308 2HD PRO 39 2HD PRO 39 -5.147 6.692 -9.363 309 H LEU 40 H LEU 40 -7.057 3.367 -5.334 310 HA LEU 40 HA LEU 40 -4.865 2.444 -3.946 311 1HB LEU 40 1HB LEU 40 -7.688 1.526 -4.185 312 2HB LEU 40 2HB LEU 40 -6.538 0.507 -3.321 313 HG LEU 40 HG LEU 40 -6.889 3.394 -2.589 314 1HD1 LEU 40 1HD1 LEU 40 -9.091 2.047 -2.638 315 2HD1 LEU 40 2HD1 LEU 40 -8.677 2.955 -1.184 316 3HD1 LEU 40 3HD1 LEU 40 -8.423 1.210 -1.236 317 1HD2 LEU 40 1HD2 LEU 40 -6.161 2.544 -0.391 318 2HD2 LEU 40 2HD2 LEU 40 -4.970 2.253 -1.660 319 3HD2 LEU 40 3HD2 LEU 40 -5.994 0.934 -1.091 320 H SER 41 H SER 41 -6.290 1.184 -6.853 321 HA SER 41 HA SER 41 -5.424 -1.426 -6.897 322 1HB SER 41 1HB SER 41 -5.604 -1.347 -9.267 323 2HB SER 41 2HB SER 41 -6.789 -0.191 -8.660 324 HG SER 41 HG SER 41 -5.617 0.751 -10.329 325 H LYS 42 H LYS 42 -3.575 1.506 -7.476 326 HA LYS 42 HA LYS 42 -1.266 0.506 -8.592 327 1HB LYS 42 1HB LYS 42 -0.127 2.430 -7.715 328 2HB LYS 42 2HB LYS 42 -1.762 2.913 -8.148 329 1HG LYS 42 1HG LYS 42 -1.624 3.917 -6.124 330 2HG LYS 42 2HG LYS 42 -2.202 2.334 -5.597 331 1HD LYS 42 1HD LYS 42 -0.291 1.877 -4.520 332 2HD LYS 42 2HD LYS 42 0.703 2.483 -5.846 333 1HE LYS 42 1HE LYS 42 0.910 4.530 -4.924 334 2HE LYS 42 2HE LYS 42 -0.747 4.539 -4.322 335 1HZ LYS 42 1HZ LYS 42 -0.132 3.313 -2.437 336 2HZ LYS 42 2HZ LYS 42 1.077 4.484 -2.602 337 3HZ LYS 42 3HZ LYS 42 1.374 2.889 -3.080 338 H LEU 43 H LEU 43 -2.312 0.386 -5.238 339 HA LEU 43 HA LEU 43 0.175 -0.661 -4.261 340 1HB LEU 43 1HB LEU 43 -1.804 0.615 -3.047 341 2HB LEU 43 2HB LEU 43 -2.367 -1.032 -2.766 342 HG LEU 43 HG LEU 43 -1.180 -0.408 -0.830 343 1HD1 LEU 43 1HD1 LEU 43 0.912 -1.901 -2.375 344 2HD1 LEU 43 2HD1 LEU 43 -0.626 -2.646 -1.940 345 3HD1 LEU 43 3HD1 LEU 43 0.458 -2.063 -0.678 346 1HD2 LEU 43 1HD2 LEU 43 1.337 0.267 -1.212 347 2HD2 LEU 43 2HD2 LEU 43 0.050 1.472 -1.262 348 3HD2 LEU 43 3HD2 LEU 43 0.714 0.828 -2.764 349 H MET 44 H MET 44 -3.052 -2.029 -4.874 350 HA MET 44 HA MET 44 -2.512 -4.654 -4.117 351 1HB MET 44 1HB MET 44 -4.773 -3.994 -4.515 352 2HB MET 44 2HB MET 44 -4.415 -3.537 -6.174 353 1HG MET 44 1HG MET 44 -4.175 -5.789 -6.844 354 2HG MET 44 2HG MET 44 -4.160 -6.355 -5.175 355 1HE MET 44 1HE MET 44 -6.905 -3.576 -6.326 356 2HE MET 44 2HE MET 44 -6.122 -4.321 -7.719 357 3HE MET 44 3HE MET 44 -7.819 -4.661 -7.375 358 H LYS 45 H LYS 45 -2.532 -3.348 -7.440 359 HA LYS 45 HA LYS 45 -1.559 -5.558 -8.763 360 1HB LYS 45 1HB LYS 45 -2.353 -3.283 -9.690 361 2HB LYS 45 2HB LYS 45 -0.680 -2.777 -9.500 362 1HG LYS 45 1HG LYS 45 0.048 -4.546 -10.997 363 2HG LYS 45 2HG LYS 45 -1.617 -5.111 -11.157 364 1HD LYS 45 1HD LYS 45 -2.006 -2.584 -11.868 365 2HD LYS 45 2HD LYS 45 -0.300 -2.707 -12.306 366 1HE LYS 45 1HE LYS 45 -0.873 -4.756 -13.619 367 2HE LYS 45 2HE LYS 45 -2.573 -4.420 -13.298 368 1HZ LYS 45 1HZ LYS 45 -2.130 -2.173 -14.330 369 2HZ LYS 45 2HZ LYS 45 -2.128 -3.494 -15.386 370 3HZ LYS 45 3HZ LYS 45 -0.664 -2.810 -14.885 371 H ALA 46 H ALA 46 0.323 -2.914 -7.307 372 HA ALA 46 HA ALA 46 2.866 -3.858 -7.999 373 1HB ALA 46 1HB ALA 46 2.261 -2.342 -5.475 374 2HB ALA 46 2HB ALA 46 3.732 -2.307 -6.449 375 3HB ALA 46 3HB ALA 46 2.247 -1.584 -7.067 376 H TYR 47 H TYR 47 1.002 -4.334 -5.003 377 HA TYR 47 HA TYR 47 2.807 -5.823 -3.556 378 1HB TYR 47 1HB TYR 47 0.223 -5.072 -3.181 379 2HB TYR 47 2HB TYR 47 0.025 -6.804 -3.424 380 HD1 TYR 47 1HD TYR 47 -0.149 -4.753 -0.902 381 HD2 TYR 47 2HD TYR 47 2.479 -7.852 -2.162 382 HE1 TYR 47 1HE TYR 47 0.496 -5.148 1.438 383 HE2 TYR 47 2HE TYR 47 3.131 -8.257 0.175 384 HH TYR 47 HH TYR 47 2.726 -7.762 2.312 385 H CYS 48 H CYS 48 0.222 -7.188 -5.605 386 HA CYS 48 HA CYS 48 0.932 -9.842 -5.460 387 1HB CYS 48 1HB CYS 48 -1.123 -9.144 -6.532 388 2HB CYS 48 2HB CYS 48 -0.226 -8.324 -7.804 389 HG CYS 48 HG CYS 48 -0.986 -10.423 -9.213 390 H GLU 49 H GLU 49 2.157 -7.381 -7.698 391 HA GLU 49 HA GLU 49 3.705 -8.933 -9.361 392 1HB GLU 49 1HB GLU 49 3.316 -6.426 -9.468 393 2HB GLU 49 2HB GLU 49 4.606 -6.263 -8.285 394 1HG GLU 49 1HG GLU 49 5.725 -5.926 -10.259 395 2HG GLU 49 2HG GLU 49 5.994 -7.646 -9.981 396 H ARG 50 H ARG 50 4.441 -7.801 -6.107 397 HA ARG 50 HA ARG 50 7.094 -8.980 -6.179 398 1HB ARG 50 1HB ARG 50 6.188 -6.803 -4.907 399 2HB ARG 50 2HB ARG 50 5.930 -7.988 -3.633 400 1HG ARG 50 1HG ARG 50 8.541 -7.390 -5.008 401 2HG ARG 50 2HG ARG 50 8.080 -6.914 -3.373 402 1HD ARG 50 1HD ARG 50 7.951 -9.244 -2.705 403 2HD ARG 50 2HD ARG 50 8.320 -9.756 -4.352 404 HE ARG 50 HE ARG 50 10.334 -8.052 -3.242 405 1HH1 ARG 50 2HH1 ARG 50 9.164 -11.327 -3.394 406 2HH1 ARG 50 1HH1 ARG 50 10.707 -12.033 -3.044 407 1HH2 ARG 50 2HH2 ARG 50 12.371 -8.968 -2.781 408 2HH2 ARG 50 1HH2 ARG 50 12.530 -10.690 -2.694 409 H GLN 51 H GLN 51 4.326 -9.284 -3.944 410 HA GLN 51 HA GLN 51 4.979 -12.145 -3.690 411 1HB GLN 51 1HB GLN 51 3.763 -10.509 -1.475 412 2HB GLN 51 2HB GLN 51 4.505 -12.101 -1.374 413 1HG GLN 51 1HG GLN 51 6.232 -10.924 -0.551 414 2HG GLN 51 2HG GLN 51 6.602 -10.696 -2.260 415 1HE2 GLN 51 1HE2 GLN 51 7.571 -8.938 -0.443 416 2HE2 GLN 51 2HE2 GLN 51 6.766 -7.417 -0.592 417 H GLY 52 H GLY 52 3.386 -12.191 -5.527 418 1HA GLY 52 2HA GLY 52 0.612 -11.730 -4.791 419 2HA GLY 52 3HA GLY 52 1.202 -12.270 -6.356 420 H LEU 53 H LEU 53 0.942 -13.401 -2.989 421 HA LEU 53 HA LEU 53 0.796 -16.157 -3.910 422 1HB LEU 53 1HB LEU 53 0.419 -15.366 -1.062 423 2HB LEU 53 2HB LEU 53 1.188 -16.801 -1.736 424 HG LEU 53 HG LEU 53 2.871 -14.800 -2.556 425 1HD1 LEU 53 1HD1 LEU 53 1.296 -13.681 -0.500 426 2HD1 LEU 53 2HD1 LEU 53 2.733 -13.005 -1.266 427 3HD1 LEU 53 3HD1 LEU 53 2.891 -14.001 0.181 428 1HD2 LEU 53 1HD2 LEU 53 4.421 -15.750 -1.065 429 2HD2 LEU 53 2HD2 LEU 53 3.309 -17.057 -1.470 430 3HD2 LEU 53 3HD2 LEU 53 3.162 -16.221 0.076 431 H SER 54 H SER 54 -1.238 -13.754 -2.304 432 HA SER 54 HA SER 54 -3.604 -15.189 -3.192 433 1HB SER 54 1HB SER 54 -4.613 -14.963 -0.858 434 2HB SER 54 2HB SER 54 -3.391 -16.219 -1.061 435 HG SER 54 HG SER 54 -1.887 -14.862 -0.090 436 H MET 55 H MET 55 -3.689 -13.291 -4.545 437 HA MET 55 HA MET 55 -3.814 -10.662 -3.614 438 1HB MET 55 1HB MET 55 -4.801 -10.102 -5.737 439 2HB MET 55 2HB MET 55 -3.579 -11.339 -6.000 440 1HG MET 55 1HG MET 55 -5.333 -13.041 -6.109 441 2HG MET 55 2HG MET 55 -6.551 -11.791 -5.867 442 1HE MET 55 1HE MET 55 -4.319 -13.696 -8.124 443 2HE MET 55 2HE MET 55 -5.997 -13.997 -8.575 444 3HE MET 55 3HE MET 55 -4.896 -13.239 -9.726 445 H ARG 56 H ARG 56 -6.141 -13.212 -3.489 446 HA ARG 56 HA ARG 56 -8.337 -11.391 -2.891 447 1HB ARG 56 1HB ARG 56 -8.249 -14.409 -3.064 448 2HB ARG 56 2HB ARG 56 -9.701 -13.459 -2.776 449 1HG ARG 56 1HG ARG 56 -7.990 -13.163 -5.231 450 2HG ARG 56 2HG ARG 56 -9.379 -14.247 -5.129 451 1HD ARG 56 1HD ARG 56 -10.735 -12.222 -4.442 452 2HD ARG 56 2HD ARG 56 -9.344 -11.247 -4.913 453 HE ARG 56 HE ARG 56 -9.886 -11.598 -7.110 454 1HH1 ARG 56 2HH1 ARG 56 -11.609 -13.883 -5.127 455 2HH1 ARG 56 1HH1 ARG 56 -12.587 -14.473 -6.429 456 1HH2 ARG 56 2HH2 ARG 56 -11.167 -12.368 -8.833 457 2HH2 ARG 56 1HH2 ARG 56 -12.334 -13.612 -8.537 458 H GLN 57 H GLN 57 -5.853 -12.114 -1.157 459 HA GLN 57 HA GLN 57 -7.394 -12.497 1.319 460 1HB GLN 57 1HB GLN 57 -5.987 -14.512 0.526 461 2HB GLN 57 2HB GLN 57 -4.595 -13.547 0.999 462 1HG GLN 57 1HG GLN 57 -5.012 -13.768 3.211 463 2HG GLN 57 2HG GLN 57 -6.760 -13.829 2.989 464 1HE2 GLN 57 1HE2 GLN 57 -4.158 -15.783 1.596 465 2HE2 GLN 57 2HE2 GLN 57 -4.746 -17.299 2.181 466 H ILE 58 H ILE 58 -6.387 -10.088 -0.075 467 HA ILE 58 HA ILE 58 -4.626 -9.074 2.061 468 HB ILE 58 HB ILE 58 -4.722 -8.043 -0.774 469 1HG1 ILE 58 1HG1 ILE 58 -3.802 -10.307 -0.751 470 2HG1 ILE 58 2HG1 ILE 58 -2.527 -9.133 -1.058 471 1HG2 ILE 58 1HG2 ILE 58 -2.349 -7.260 0.296 472 2HG2 ILE 58 2HG2 ILE 58 -3.805 -6.269 0.248 473 3HG2 ILE 58 3HG2 ILE 58 -3.410 -7.184 1.702 474 1HD1 ILE 58 1HD1 ILE 58 -2.446 -9.383 1.661 475 2HD1 ILE 58 2HD1 ILE 58 -2.851 -11.017 1.134 476 3HD1 ILE 58 3HD1 ILE 58 -1.401 -10.225 0.517 477 H ARG 59 H ARG 59 -5.860 -7.909 3.390 478 HA ARG 59 HA ARG 59 -7.750 -5.989 2.194 479 1HB ARG 59 1HB ARG 59 -8.079 -7.922 4.392 480 2HB ARG 59 2HB ARG 59 -8.676 -6.305 4.740 481 1HG ARG 59 1HG ARG 59 -10.440 -7.712 3.852 482 2HG ARG 59 2HG ARG 59 -10.078 -6.387 2.744 483 1HD ARG 59 1HD ARG 59 -9.605 -7.816 1.111 484 2HD ARG 59 2HD ARG 59 -8.429 -8.648 2.128 485 HE ARG 59 HE ARG 59 -11.130 -9.470 1.566 486 1HH1 ARG 59 2HH1 ARG 59 -8.438 -9.735 3.757 487 2HH1 ARG 59 1HH1 ARG 59 -8.936 -11.269 4.390 488 1HH2 ARG 59 2HH2 ARG 59 -11.796 -11.489 2.392 489 2HH2 ARG 59 1HH2 ARG 59 -10.846 -12.266 3.612 490 H PHE 60 H PHE 60 -7.175 -3.948 2.486 491 HA PHE 60 HA PHE 60 -5.137 -3.258 4.418 492 1HB PHE 60 1HB PHE 60 -6.597 -1.679 2.301 493 2HB PHE 60 2HB PHE 60 -5.452 -0.939 3.416 494 HD1 PHE 60 1HD PHE 60 -3.092 -2.030 3.506 495 HD2 PHE 60 2HD PHE 60 -5.843 -2.527 0.296 496 HE1 PHE 60 1HE PHE 60 -1.236 -2.655 2.017 497 HE2 PHE 60 2HE PHE 60 -3.991 -3.154 -1.198 498 HZ PHE 60 HZ PHE 60 -1.685 -3.220 -0.338 499 H ARG 61 H ARG 61 -5.510 -2.539 6.403 500 HA ARG 61 HA ARG 61 -8.008 -1.115 6.971 501 1HB ARG 61 1HB ARG 61 -6.951 -3.511 8.469 502 2HB ARG 61 2HB ARG 61 -8.129 -2.402 9.156 503 1HG ARG 61 1HG ARG 61 -8.756 -3.526 6.496 504 2HG ARG 61 2HG ARG 61 -8.807 -4.634 7.868 505 1HD ARG 61 1HD ARG 61 -10.165 -2.608 8.936 506 2HD ARG 61 2HD ARG 61 -10.522 -2.296 7.238 507 HE ARG 61 HE ARG 61 -11.078 -4.916 7.473 508 1HH1 ARG 61 2HH1 ARG 61 -12.010 -2.140 9.355 509 2HH1 ARG 61 1HH1 ARG 61 -13.534 -2.811 9.832 510 1HH2 ARG 61 2HH2 ARG 61 -13.082 -5.812 8.094 511 2HH2 ARG 61 1HH2 ARG 61 -14.143 -4.900 9.115 512 H PHE 62 H PHE 62 -7.851 0.477 8.506 513 HA PHE 62 HA PHE 62 -5.173 0.913 9.657 514 1HB PHE 62 1HB PHE 62 -5.813 2.518 7.833 515 2HB PHE 62 2HB PHE 62 -7.136 3.067 8.856 516 HD1 PHE 62 1HD PHE 62 -3.486 2.397 9.283 517 HD2 PHE 62 2HD PHE 62 -6.748 5.059 9.905 518 HE1 PHE 62 1HE PHE 62 -1.968 3.997 10.376 519 HE2 PHE 62 2HE PHE 62 -5.236 6.663 10.998 520 HZ PHE 62 HZ PHE 62 -2.843 6.133 11.234 521 H ASP 63 H ASP 63 -5.144 2.179 11.661 522 HA ASP 63 HA ASP 63 -7.114 1.199 13.501 523 1HB ASP 63 1HB ASP 63 -4.709 1.423 14.086 524 2HB ASP 63 2HB ASP 63 -4.874 3.173 13.985 525 H GLY 64 H GLY 64 -8.718 2.488 11.965 526 1HA GLY 64 2HA GLY 64 -9.819 4.553 13.571 527 2HA GLY 64 3HA GLY 64 -9.032 5.241 12.158 528 H GLN 65 H GLN 65 -9.664 2.990 10.430 529 HA GLN 65 HA GLN 65 -12.421 2.463 10.350 530 1HB GLN 65 1HB GLN 65 -12.844 3.946 8.265 531 2HB GLN 65 2HB GLN 65 -12.950 4.672 9.863 532 1HG GLN 65 1HG GLN 65 -10.778 5.651 9.631 533 2HG GLN 65 2HG GLN 65 -10.506 4.792 8.116 534 1HE2 GLN 65 1HE2 GLN 65 -11.260 7.697 9.379 535 2HE2 GLN 65 2HE2 GLN 65 -12.116 8.393 8.050 536 HA PRO 66 HA PRO 66 -11.099 -0.373 7.277 537 1HB PRO 66 1HB PRO 66 -13.343 -0.669 5.778 538 2HB PRO 66 2HB PRO 66 -13.184 -1.330 7.409 539 1HG PRO 66 1HG PRO 66 -14.538 1.183 6.506 540 2HG PRO 66 2HG PRO 66 -15.088 -0.023 7.685 541 1HD PRO 66 1HD PRO 66 -13.962 2.327 8.422 542 2HD PRO 66 2HD PRO 66 -13.769 0.837 9.368 543 H ILE 67 H ILE 67 -11.191 -0.748 4.802 544 HA ILE 67 HA ILE 67 -11.082 1.796 3.342 545 HB ILE 67 HB ILE 67 -8.954 -0.324 3.064 546 1HG1 ILE 67 1HG1 ILE 67 -8.833 2.312 4.547 547 2HG1 ILE 67 2HG1 ILE 67 -8.814 0.714 5.286 548 1HG2 ILE 67 1HG2 ILE 67 -8.425 2.424 2.205 549 2HG2 ILE 67 2HG2 ILE 67 -8.103 0.896 1.387 550 3HG2 ILE 67 3HG2 ILE 67 -9.710 1.617 1.308 551 1HD1 ILE 67 1HD1 ILE 67 -6.653 2.256 4.139 552 2HD1 ILE 67 2HD1 ILE 67 -6.604 0.862 5.220 553 3HD1 ILE 67 3HD1 ILE 67 -6.733 0.623 3.478 554 H ASN 68 H ASN 68 -12.035 1.717 1.406 555 HA ASN 68 HA ASN 68 -13.051 -0.850 0.473 556 1HB ASN 68 1HB ASN 68 -13.618 1.852 -0.741 557 2HB ASN 68 2HB ASN 68 -14.581 0.383 -0.863 558 1HD2 ASN 68 1HD2 ASN 68 -15.533 2.914 -0.049 559 2HD2 ASN 68 2HD2 ASN 68 -16.068 2.776 1.587 560 H GLU 69 H GLU 69 -13.292 -0.557 -2.191 561 HA GLU 69 HA GLU 69 -10.544 -0.854 -3.078 562 1HB GLU 69 1HB GLU 69 -11.532 -1.725 -5.150 563 2HB GLU 69 2HB GLU 69 -12.172 -2.547 -3.734 564 1HG GLU 69 1HG GLU 69 -14.178 -1.119 -3.850 565 2HG GLU 69 2HG GLU 69 -13.542 -0.390 -5.324 566 H THR 70 H THR 70 -13.330 1.216 -3.699 567 HA THR 70 HA THR 70 -11.720 2.841 -5.537 568 HB THR 70 HB THR 70 -13.980 2.120 -6.294 569 HG1 THR 70 1HG THR 70 -14.020 3.938 -7.376 570 1HG2 THR 70 1HG2 THR 70 -15.817 2.389 -5.052 571 2HG2 THR 70 2HG2 THR 70 -15.452 4.091 -4.767 572 3HG2 THR 70 3HG2 THR 70 -14.755 2.853 -3.723 573 H ASP 71 H ASP 71 -11.291 2.858 -2.655 574 HA ASP 71 HA ASP 71 -12.260 5.519 -1.893 575 1HB ASP 71 1HB ASP 71 -11.320 3.128 -0.394 576 2HB ASP 71 2HB ASP 71 -10.989 4.705 0.317 577 H THR 72 H THR 72 -10.753 7.033 -0.911 578 HA THR 72 HA THR 72 -7.985 6.701 -1.861 579 HB THR 72 HB THR 72 -7.944 9.157 -2.332 580 HG1 THR 72 1HG THR 72 -10.049 10.139 -2.599 581 1HG2 THR 72 1HG2 THR 72 -8.537 8.817 -4.496 582 2HG2 THR 72 2HG2 THR 72 -10.109 8.141 -4.071 583 3HG2 THR 72 3HG2 THR 72 -8.660 7.141 -3.962 584 HA PRO 73 HA PRO 73 -6.686 7.864 2.170 585 1HB PRO 73 1HB PRO 73 -4.352 9.137 1.619 586 2HB PRO 73 2HB PRO 73 -4.545 7.385 1.487 587 1HG PRO 73 1HG PRO 73 -4.624 9.467 -0.662 588 2HG PRO 73 2HG PRO 73 -3.836 7.879 -0.672 589 1HD PRO 73 1HD PRO 73 -6.219 8.330 -1.875 590 2HD PRO 73 2HD PRO 73 -5.799 6.767 -1.144 591 H ALA 74 H ALA 74 -7.058 10.310 -0.285 592 HA ALA 74 HA ALA 74 -6.543 12.633 1.138 593 1HB ALA 74 1HB ALA 74 -7.593 13.769 -0.559 594 2HB ALA 74 2HB ALA 74 -7.238 12.235 -1.354 595 3HB ALA 74 3HB ALA 74 -8.859 12.554 -0.738 596 H GLN 75 H GLN 75 -9.514 10.707 0.998 597 HA GLN 75 HA GLN 75 -10.683 12.414 3.082 598 1HB GLN 75 1HB GLN 75 -11.872 11.769 0.838 599 2HB GLN 75 2HB GLN 75 -12.203 10.255 1.670 600 1HG GLN 75 1HG GLN 75 -14.085 11.411 2.197 601 2HG GLN 75 2HG GLN 75 -13.063 11.866 3.560 602 1HE2 GLN 75 1HE2 GLN 75 -15.179 13.421 2.935 603 2HE2 GLN 75 2HE2 GLN 75 -14.650 14.916 2.250 604 H LEU 76 H LEU 76 -8.647 10.126 3.284 605 HA LEU 76 HA LEU 76 -10.123 8.535 5.277 606 1HB LEU 76 1HB LEU 76 -8.859 7.584 3.068 607 2HB LEU 76 2HB LEU 76 -7.579 7.464 4.273 608 HG LEU 76 HG LEU 76 -8.724 5.357 4.117 609 1HD1 LEU 76 1HD1 LEU 76 -9.165 4.983 6.386 610 2HD1 LEU 76 2HD1 LEU 76 -9.740 6.630 6.638 611 3HD1 LEU 76 3HD1 LEU 76 -8.024 6.328 6.368 612 1HD2 LEU 76 1HD2 LEU 76 -10.852 6.317 3.219 613 2HD2 LEU 76 2HD2 LEU 76 -11.267 6.788 4.867 614 3HD2 LEU 76 3HD2 LEU 76 -11.069 5.083 4.461 615 H GLU 77 H GLU 77 -7.523 10.676 4.695 616 HA GLU 77 HA GLU 77 -5.984 11.649 6.058 617 1HB GLU 77 1HB GLU 77 -7.457 10.352 8.351 618 2HB GLU 77 2HB GLU 77 -6.431 11.779 8.412 619 1HG GLU 77 1HG GLU 77 -8.235 12.632 6.639 620 2HG GLU 77 2HG GLU 77 -9.235 11.492 7.537 621 H MET 78 H MET 78 -4.715 9.827 4.942 622 HA MET 78 HA MET 78 -3.320 8.330 7.044 623 1HB MET 78 1HB MET 78 -3.915 7.123 4.345 624 2HB MET 78 2HB MET 78 -3.245 6.324 5.761 625 1HG MET 78 1HG MET 78 -5.362 6.565 6.925 626 2HG MET 78 2HG MET 78 -6.038 7.421 5.541 627 1HE MET 78 1HE MET 78 -5.485 6.512 3.254 628 2HE MET 78 2HE MET 78 -5.046 4.842 2.896 629 3HE MET 78 3HE MET 78 -6.744 5.318 2.934 630 H GLU 79 H GLU 79 -2.170 10.532 6.453 631 HA GLU 79 HA GLU 79 -0.066 9.853 4.510 632 1HB GLU 79 1HB GLU 79 -0.749 12.718 4.949 633 2HB GLU 79 2HB GLU 79 -0.103 11.925 3.519 634 1HG GLU 79 1HG GLU 79 -2.340 10.889 3.167 635 2HG GLU 79 2HG GLU 79 -2.946 11.878 4.495 636 H ASP 80 H ASP 80 1.601 11.997 4.933 637 HA ASP 80 HA ASP 80 3.262 12.759 6.290 638 1HB ASP 80 1HB ASP 80 1.550 12.217 8.698 639 2HB ASP 80 2HB ASP 80 2.707 13.518 8.432 640 H GLU 81 H GLU 81 3.559 10.194 5.504 641 HA GLU 81 HA GLU 81 4.772 8.318 5.940 642 1HB GLU 81 1HB GLU 81 5.994 10.226 7.406 643 2HB GLU 81 2HB GLU 81 5.503 9.131 8.691 644 1HG GLU 81 1HG GLU 81 6.592 7.292 7.292 645 2HG GLU 81 2HG GLU 81 7.340 8.606 6.385 646 H ASP 82 H ASP 82 1.989 8.417 6.591 647 HA ASP 82 HA ASP 82 1.376 7.294 9.086 648 1HB ASP 82 1HB ASP 82 -0.020 7.943 6.693 649 2HB ASP 82 2HB ASP 82 -0.434 6.285 7.121 650 H THR 83 H THR 83 0.311 5.027 9.216 651 HA THR 83 HA THR 83 1.886 3.039 7.741 652 HB THR 83 HB THR 83 1.492 2.854 10.729 653 HG1 THR 83 1HG THR 83 3.310 3.929 10.984 654 1HG2 THR 83 1HG2 THR 83 3.723 1.394 9.781 655 2HG2 THR 83 2HG2 THR 83 2.368 1.029 8.712 656 3HG2 THR 83 3HG2 THR 83 2.217 0.767 10.449 657 H ILE 84 H ILE 84 0.223 2.162 6.619 658 HA ILE 84 HA ILE 84 -2.275 1.517 7.961 659 HB ILE 84 HB ILE 84 -1.441 1.102 5.088 660 1HG1 ILE 84 1HG1 ILE 84 -3.189 3.198 6.394 661 2HG1 ILE 84 2HG1 ILE 84 -1.609 3.463 5.666 662 1HG2 ILE 84 1HG2 ILE 84 -3.137 -0.505 5.782 663 2HG2 ILE 84 2HG2 ILE 84 -4.145 0.807 6.388 664 3HG2 ILE 84 3HG2 ILE 84 -3.812 0.677 4.661 665 1HD1 ILE 84 1HD1 ILE 84 -4.167 2.726 4.275 666 2HD1 ILE 84 2HD1 ILE 84 -3.249 4.226 4.135 667 3HD1 ILE 84 3HD1 ILE 84 -2.588 2.724 3.490 668 H ASP 85 H ASP 85 -2.733 -0.407 8.796 669 HA ASP 85 HA ASP 85 -0.835 -2.572 8.549 670 1HB ASP 85 1HB ASP 85 -3.196 -1.974 10.260 671 2HB ASP 85 2HB ASP 85 -2.776 -3.669 10.026 672 H VAL 86 H VAL 86 -1.158 -4.537 7.578 673 HA VAL 86 HA VAL 86 -3.428 -4.669 5.717 674 HB VAL 86 HB VAL 86 -0.991 -4.802 4.902 675 1HG1 VAL 86 1HG1 VAL 86 -1.029 -7.702 5.311 676 2HG1 VAL 86 2HG1 VAL 86 0.310 -6.556 5.414 677 3HG1 VAL 86 3HG1 VAL 86 -0.783 -6.762 6.783 678 1HG2 VAL 86 1HG2 VAL 86 -2.936 -6.973 4.121 679 2HG2 VAL 86 2HG2 VAL 86 -2.943 -5.317 3.514 680 3HG2 VAL 86 3HG2 VAL 86 -1.589 -6.385 3.145 681 H PHE 87 H PHE 87 -4.453 -6.736 5.348 682 HA PHE 87 HA PHE 87 -4.350 -8.500 7.706 683 1HB PHE 87 1HB PHE 87 -6.617 -7.177 6.382 684 2HB PHE 87 2HB PHE 87 -6.863 -8.893 6.686 685 HD1 PHE 87 1HD PHE 87 -8.397 -8.945 8.428 686 HD2 PHE 87 2HD PHE 87 -4.988 -6.412 8.715 687 HE1 PHE 87 1HE PHE 87 -8.968 -8.448 10.769 688 HE2 PHE 87 2HE PHE 87 -5.554 -5.911 11.057 689 HZ PHE 87 HZ PHE 87 -7.545 -6.930 12.087 690 H GLN 88 H GLN 88 -3.260 -10.250 7.046 691 HA GLN 88 HA GLN 88 -4.364 -11.797 4.845 692 1HB GLN 88 1HB GLN 88 -1.988 -12.204 3.991 693 2HB GLN 88 2HB GLN 88 -2.730 -10.659 3.595 694 1HG GLN 88 1HG GLN 88 -1.511 -9.638 5.489 695 2HG GLN 88 2HG GLN 88 -0.701 -11.182 5.754 696 1HE2 GLN 88 1HE2 GLN 88 1.045 -9.389 5.414 697 2HE2 GLN 88 2HE2 GLN 88 1.678 -9.302 3.809 698 H GLN 89 H GLN 89 -3.387 -14.004 4.750 699 HA GLN 89 HA GLN 89 -1.806 -15.029 6.840 700 1HB GLN 89 1HB GLN 89 -3.480 -16.239 8.136 701 2HB GLN 89 2HB GLN 89 -3.773 -14.507 8.214 702 1HG GLN 89 1HG GLN 89 -5.891 -15.171 7.831 703 2HG GLN 89 2HG GLN 89 -5.353 -15.091 6.154 704 1HE2 GLN 89 1HE2 GLN 89 -4.940 -17.450 8.774 705 2HE2 GLN 89 2HE2 GLN 89 -5.523 -18.805 7.876 706 H GLN 90 H GLN 90 -0.935 -16.834 6.070 707 HA GLN 90 HA GLN 90 -2.506 -18.785 4.642 708 1HB GLN 90 1HB GLN 90 -1.738 -16.982 2.962 709 2HB GLN 90 2HB GLN 90 -0.131 -17.663 3.178 710 1HG GLN 90 1HG GLN 90 -0.825 -18.834 1.356 711 2HG GLN 90 2HG GLN 90 -1.360 -19.916 2.641 712 1HE2 GLN 90 1HE2 GLN 90 -3.548 -20.096 3.095 713 2HE2 GLN 90 2HE2 GLN 90 -4.766 -19.525 2.010 714 H THR 91 H THR 91 -1.479 -20.803 4.461 715 HA THR 91 HA THR 91 0.623 -21.214 6.407 716 HB THR 91 HB THR 91 0.285 -23.680 5.510 717 HG1 THR 91 1HG THR 91 -1.651 -23.998 4.521 718 1HG2 THR 91 1HG2 THR 91 -0.997 -24.038 7.359 719 2HG2 THR 91 2HG2 THR 91 -2.084 -22.697 7.000 720 3HG2 THR 91 3HG2 THR 91 -0.500 -22.383 7.709 721 H GLY 92 H GLY 92 0.309 -21.008 2.967 722 1HA GLY 92 2HA GLY 92 3.046 -22.054 2.633 723 2HA GLY 92 3HA GLY 92 1.838 -21.979 1.359 724 H GLY 93 H GLY 93 2.799 -19.474 3.682 725 1HA GLY 93 2HA GLY 93 3.795 -17.884 1.402 726 2HA GLY 93 3HA GLY 93 2.724 -17.184 2.606 727 H VAL 94 H VAL 94 4.324 -15.592 3.045 728 HA VAL 94 HA VAL 94 6.324 -16.535 4.958 729 HB VAL 94 HB VAL 94 7.040 -14.568 2.782 730 1HG1 VAL 94 1HG1 VAL 94 9.043 -16.024 4.422 731 2HG1 VAL 94 2HG1 VAL 94 9.107 -14.402 3.730 732 3HG1 VAL 94 3HG1 VAL 94 8.154 -14.705 5.183 733 1HG2 VAL 94 1HG2 VAL 94 8.599 -16.563 2.139 734 2HG2 VAL 94 2HG2 VAL 94 7.368 -17.532 2.949 735 3HG2 VAL 94 3HG2 VAL 94 6.930 -16.526 1.569 736 H TYR 95 H TYR 95 5.707 -15.533 6.761 737 HA TYR 95 HA TYR 95 5.303 -12.625 6.660 738 1HB TYR 95 1HB TYR 95 3.577 -14.611 8.150 739 2HB TYR 95 2HB TYR 95 3.495 -12.865 8.362 740 HD1 TYR 95 1HD TYR 95 1.513 -15.172 7.216 741 HD2 TYR 95 2HD TYR 95 3.735 -11.943 5.561 742 HE1 TYR 95 1HE TYR 95 -0.092 -15.028 5.357 743 HE2 TYR 95 2HE TYR 95 2.136 -11.790 3.698 744 HH TYR 95 HH TYR 95 0.030 -14.144 2.886 Start of MODEL 5 1 1H MET 1 1H MET 1 18.675 -15.720 -2.849 2 HA MET 1 HA MET 1 15.991 -15.505 -1.723 3 1HB MET 1 1HB MET 1 18.546 -14.003 -1.408 4 2HB MET 1 2HB MET 1 17.042 -13.141 -1.112 5 1HG MET 1 1HG MET 1 17.655 -13.920 0.981 6 2HG MET 1 2HG MET 1 16.451 -15.086 0.438 7 1HE MET 1 1HE MET 1 18.202 -15.991 2.852 8 2HE MET 1 2HE MET 1 19.862 -16.472 2.502 9 3HE MET 1 3HE MET 1 19.391 -14.777 2.381 10 H ALA 2 H ALA 2 18.098 -13.565 -3.852 11 HA ALA 2 HA ALA 2 17.624 -12.063 -5.500 12 1HB ALA 2 1HB ALA 2 16.635 -14.344 -6.315 13 2HB ALA 2 2HB ALA 2 15.092 -13.515 -6.108 14 3HB ALA 2 3HB ALA 2 16.306 -12.857 -7.206 15 H ASP 3 H ASP 3 16.872 -11.126 -3.052 16 HA ASP 3 HA ASP 3 14.218 -9.931 -3.461 17 1HB ASP 3 1HB ASP 3 14.124 -9.523 -1.118 18 2HB ASP 3 2HB ASP 3 14.726 -11.168 -1.308 19 H GLU 4 H GLU 4 13.976 -7.793 -3.777 20 HA GLU 4 HA GLU 4 16.402 -6.124 -3.644 21 1HB GLU 4 1HB GLU 4 15.357 -4.762 -5.459 22 2HB GLU 4 2HB GLU 4 15.777 -6.400 -5.942 23 1HG GLU 4 1HG GLU 4 13.021 -5.878 -4.965 24 2HG GLU 4 2HG GLU 4 13.466 -5.325 -6.578 25 H LYS 5 H LYS 5 15.641 -3.671 -3.711 26 HA LYS 5 HA LYS 5 13.251 -3.068 -2.260 27 1HB LYS 5 1HB LYS 5 14.536 -2.048 -0.304 28 2HB LYS 5 2HB LYS 5 14.378 -3.799 -0.324 29 1HG LYS 5 1HG LYS 5 16.654 -3.942 -1.300 30 2HG LYS 5 2HG LYS 5 16.800 -2.193 -1.107 31 1HD LYS 5 1HD LYS 5 16.020 -3.833 1.255 32 2HD LYS 5 2HD LYS 5 17.705 -3.855 0.730 33 1HE LYS 5 1HE LYS 5 16.206 -1.290 1.179 34 2HE LYS 5 2HE LYS 5 17.039 -2.126 2.489 35 1HZ LYS 5 1HZ LYS 5 18.131 -0.627 0.258 36 2HZ LYS 5 2HZ LYS 5 18.953 -2.054 0.641 37 3HZ LYS 5 3HZ LYS 5 18.748 -0.855 1.817 38 HA PRO 6 HA PRO 6 15.106 0.313 -4.855 39 1HB PRO 6 1HB PRO 6 12.838 0.798 -6.266 40 2HB PRO 6 2HB PRO 6 14.022 -0.426 -6.741 41 1HG PRO 6 1HG PRO 6 11.431 -0.762 -5.278 42 2HG PRO 6 2HG PRO 6 12.113 -1.746 -6.587 43 1HD PRO 6 1HD PRO 6 12.244 -2.488 -3.986 44 2HD PRO 6 2HD PRO 6 13.509 -2.900 -5.162 45 H LYS 7 H LYS 7 15.247 2.041 -3.555 46 HA LYS 7 HA LYS 7 12.902 3.006 -2.122 47 1HB LYS 7 1HB LYS 7 15.827 3.732 -2.032 48 2HB LYS 7 2HB LYS 7 14.603 4.657 -1.172 49 1HG LYS 7 1HG LYS 7 13.936 2.468 -0.072 50 2HG LYS 7 2HG LYS 7 15.435 1.808 -0.729 51 1HD LYS 7 1HD LYS 7 16.765 3.209 0.575 52 2HD LYS 7 2HD LYS 7 15.445 4.344 0.870 53 1HE LYS 7 1HE LYS 7 15.568 3.255 2.894 54 2HE LYS 7 2HE LYS 7 14.340 2.302 2.062 55 1HZ LYS 7 1HZ LYS 7 15.753 0.545 1.789 56 2HZ LYS 7 2HZ LYS 7 16.326 1.148 3.262 57 3HZ LYS 7 3HZ LYS 7 17.152 1.497 1.827 58 H GLU 8 H GLU 8 15.416 4.451 -4.205 59 HA GLU 8 HA GLU 8 13.698 6.721 -4.757 60 1HB GLU 8 1HB GLU 8 16.259 6.771 -4.415 61 2HB GLU 8 2HB GLU 8 16.348 6.188 -6.071 62 1HG GLU 8 1HG GLU 8 15.585 8.152 -6.955 63 2HG GLU 8 2HG GLU 8 14.696 8.591 -5.498 64 H GLY 9 H GLY 9 12.092 6.383 -6.164 65 1HA GLY 9 2HA GLY 9 12.737 5.638 -8.874 66 2HA GLY 9 3HA GLY 9 11.760 4.442 -8.035 67 H VAL 10 H VAL 10 11.381 7.786 -7.229 68 HA VAL 10 HA VAL 10 9.143 8.154 -9.046 69 HB VAL 10 HB VAL 10 7.599 8.771 -7.178 70 1HG1 VAL 10 1HG1 VAL 10 7.766 6.486 -8.400 71 2HG1 VAL 10 2HG1 VAL 10 8.369 5.900 -6.848 72 3HG1 VAL 10 3HG1 VAL 10 6.764 6.626 -6.956 73 1HG2 VAL 10 1HG2 VAL 10 8.749 7.158 -5.135 74 2HG2 VAL 10 2HG2 VAL 10 9.935 8.367 -5.626 75 3HG2 VAL 10 3HG2 VAL 10 8.334 8.871 -5.085 76 H LYS 11 H LYS 11 8.430 10.322 -9.192 77 HA LYS 11 HA LYS 11 9.601 12.384 -7.581 78 1HB LYS 11 1HB LYS 11 10.818 13.501 -9.416 79 2HB LYS 11 2HB LYS 11 11.512 11.936 -9.012 80 1HG LYS 11 1HG LYS 11 9.498 12.004 -11.180 81 2HG LYS 11 2HG LYS 11 11.081 12.710 -11.514 82 1HD LYS 11 1HD LYS 11 10.882 10.001 -10.260 83 2HD LYS 11 2HD LYS 11 10.663 10.187 -12.002 84 1HE LYS 11 1HE LYS 11 13.032 11.398 -10.630 85 2HE LYS 11 2HE LYS 11 13.028 9.687 -11.054 86 1HZ LYS 11 1HZ LYS 11 13.875 11.570 -12.699 87 2HZ LYS 11 2HZ LYS 11 12.244 11.553 -13.148 88 3HZ LYS 11 3HZ LYS 11 13.164 10.137 -13.248 89 H THR 12 H THR 12 8.546 14.335 -7.797 90 HA THR 12 HA THR 12 6.333 14.389 -9.745 91 HB THR 12 HB THR 12 4.996 15.636 -8.143 92 HG1 THR 12 1HG THR 12 5.793 16.031 -6.053 93 1HG2 THR 12 1HG2 THR 12 4.275 13.774 -7.112 94 2HG2 THR 12 2HG2 THR 12 5.830 13.497 -6.329 95 3HG2 THR 12 3HG2 THR 12 5.571 12.961 -7.989 96 H GLU 13 H GLU 13 5.437 16.889 -9.569 97 HA GLU 13 HA GLU 13 7.687 18.734 -9.759 98 1HB GLU 13 1HB GLU 13 7.347 17.716 -12.027 99 2HB GLU 13 2HB GLU 13 5.731 18.408 -12.037 100 1HG GLU 13 1HG GLU 13 6.668 20.646 -11.898 101 2HG GLU 13 2HG GLU 13 8.296 19.971 -11.841 102 H ASN 14 H ASN 14 4.214 18.582 -10.574 103 HA ASN 14 HA ASN 14 3.794 20.889 -8.794 104 1HB ASN 14 1HB ASN 14 2.580 20.431 -11.527 105 2HB ASN 14 2HB ASN 14 2.047 21.679 -10.404 106 1HD2 ASN 14 1HD2 ASN 14 3.565 23.331 -9.814 107 2HD2 ASN 14 2HD2 ASN 14 4.819 23.779 -10.915 108 H ASN 15 H ASN 15 3.451 18.548 -7.663 109 HA ASN 15 HA ASN 15 0.614 18.436 -7.183 110 1HB ASN 15 1HB ASN 15 2.053 16.213 -8.591 111 2HB ASN 15 2HB ASN 15 0.715 15.840 -7.508 112 1HD2 ASN 15 1HD2 ASN 15 -1.351 16.812 -7.966 113 2HD2 ASN 15 2HD2 ASN 15 -1.774 17.186 -9.599 114 H ASP 16 H ASP 16 0.129 16.720 -5.470 115 HA ASP 16 HA ASP 16 2.020 17.078 -3.331 116 1HB ASP 16 1HB ASP 16 -0.640 15.652 -3.482 117 2HB ASP 16 2HB ASP 16 0.321 15.765 -2.010 118 H HIS 17 H HIS 17 2.628 15.198 -1.924 119 HA HIS 17 HA HIS 17 2.796 12.603 -3.144 120 1HB HIS 17 1HB HIS 17 5.321 12.568 -3.086 121 2HB HIS 17 2HB HIS 17 4.615 13.554 -4.363 122 HD1 HIS 17 1HD HIS 17 4.771 16.163 -4.052 123 HD2 HIS 17 2HD HIS 17 6.892 13.927 -1.266 124 HE1 HIS 17 1HE HIS 17 6.337 17.786 -2.939 125 H ILE 18 H ILE 18 2.177 11.478 -1.410 126 HA ILE 18 HA ILE 18 3.361 12.125 1.199 127 HB ILE 18 HB ILE 18 1.544 10.996 2.238 128 1HG1 ILE 18 1HG1 ILE 18 0.763 10.075 -0.537 129 2HG1 ILE 18 2HG1 ILE 18 1.382 9.064 0.764 130 1HG2 ILE 18 1HG2 ILE 18 -0.384 12.244 1.419 131 2HG2 ILE 18 2HG2 ILE 18 1.061 13.253 1.433 132 3HG2 ILE 18 3HG2 ILE 18 0.466 12.586 -0.087 133 1HD1 ILE 18 1HD1 ILE 18 -0.844 8.636 0.936 134 2HD1 ILE 18 2HD1 ILE 18 -0.718 10.009 2.035 135 3HD1 ILE 18 3HD1 ILE 18 -1.312 10.247 0.392 136 H ASN 19 H ASN 19 3.108 9.824 2.568 137 HA ASN 19 HA ASN 19 4.666 7.843 1.045 138 1HB ASN 19 1HB ASN 19 5.883 9.377 2.832 139 2HB ASN 19 2HB ASN 19 5.195 8.214 3.961 140 1HD2 ASN 19 1HD2 ASN 19 5.759 5.988 3.714 141 2HD2 ASN 19 2HD2 ASN 19 7.262 5.550 2.984 142 H LEU 20 H LEU 20 4.342 5.678 1.579 143 HA LEU 20 HA LEU 20 2.342 5.047 3.613 144 1HB LEU 20 1HB LEU 20 2.126 4.116 0.754 145 2HB LEU 20 2HB LEU 20 1.059 3.661 2.080 146 HG LEU 20 HG LEU 20 1.342 6.465 1.004 147 1HD1 LEU 20 1HD1 LEU 20 -1.067 5.877 0.216 148 2HD1 LEU 20 2HD1 LEU 20 -0.484 4.215 0.285 149 3HD1 LEU 20 3HD1 LEU 20 0.320 5.388 -0.758 150 1HD2 LEU 20 1HD2 LEU 20 -0.964 5.473 2.607 151 2HD2 LEU 20 2HD2 LEU 20 -0.299 7.102 2.470 152 3HD2 LEU 20 3HD2 LEU 20 0.536 5.886 3.439 153 H LYS 21 H LYS 21 2.384 2.880 4.327 154 HA LYS 21 HA LYS 21 4.580 1.219 3.315 155 1HB LYS 21 1HB LYS 21 4.095 1.527 6.269 156 2HB LYS 21 2HB LYS 21 5.486 0.818 5.459 157 1HG LYS 21 1HG LYS 21 5.766 3.238 4.494 158 2HG LYS 21 2HG LYS 21 4.804 3.679 5.907 159 1HD LYS 21 1HD LYS 21 7.139 1.863 6.268 160 2HD LYS 21 2HD LYS 21 7.432 3.587 6.026 161 1HE LYS 21 1HE LYS 21 5.611 3.855 7.880 162 2HE LYS 21 2HE LYS 21 6.037 2.189 8.269 163 1HZ LYS 21 1HZ LYS 21 8.402 2.995 8.366 164 2HZ LYS 21 2HZ LYS 21 7.391 3.547 9.604 165 3HZ LYS 21 3HZ LYS 21 7.794 4.573 8.320 166 H VAL 22 H VAL 22 3.609 -0.567 2.616 167 HA VAL 22 HA VAL 22 1.199 -1.547 3.919 168 HB VAL 22 HB VAL 22 2.619 -2.723 1.529 169 1HG1 VAL 22 1HG1 VAL 22 0.800 -3.966 2.966 170 2HG1 VAL 22 2HG1 VAL 22 -0.306 -2.948 2.041 171 3HG1 VAL 22 3HG1 VAL 22 0.783 -4.056 1.205 172 1HG2 VAL 22 1HG2 VAL 22 0.760 -0.417 1.774 173 2HG2 VAL 22 2HG2 VAL 22 2.104 -0.673 0.661 174 3HG2 VAL 22 3HG2 VAL 22 0.568 -1.496 0.392 175 H ALA 23 H ALA 23 1.948 -2.356 5.879 176 HA ALA 23 HA ALA 23 3.732 -4.696 5.688 177 1HB ALA 23 1HB ALA 23 4.751 -2.931 6.985 178 2HB ALA 23 2HB ALA 23 3.319 -2.815 8.008 179 3HB ALA 23 3HB ALA 23 4.314 -4.270 8.047 180 H GLY 24 H GLY 24 2.616 -6.530 5.801 181 1HA GLY 24 2HA GLY 24 0.034 -6.615 7.127 182 2HA GLY 24 3HA GLY 24 0.775 -7.910 6.199 183 H GLN 25 H GLN 25 -0.485 -7.704 8.961 184 HA GLN 25 HA GLN 25 1.462 -8.071 10.934 185 1HB GLN 25 1HB GLN 25 -0.799 -7.677 11.593 186 2HB GLN 25 2HB GLN 25 -1.369 -9.088 10.711 187 1HG GLN 25 1HG GLN 25 0.606 -9.447 12.911 188 2HG GLN 25 2HG GLN 25 -1.087 -9.154 13.304 189 1HE2 GLN 25 1HE2 GLN 25 -2.471 -10.518 11.505 190 2HE2 GLN 25 2HE2 GLN 25 -2.108 -12.206 11.568 191 H ASP 26 H ASP 26 0.474 -10.117 8.377 192 HA ASP 26 HA ASP 26 1.297 -12.587 9.604 193 1HB ASP 26 1HB ASP 26 -0.373 -12.872 7.981 194 2HB ASP 26 2HB ASP 26 0.427 -11.798 6.837 195 H GLY 27 H GLY 27 2.469 -11.142 6.567 196 1HA GLY 27 2HA GLY 27 5.194 -11.074 7.460 197 2HA GLY 27 3HA GLY 27 4.873 -12.439 6.400 198 H SER 28 H SER 28 3.776 -9.049 6.383 199 HA SER 28 HA SER 28 4.960 -8.784 3.699 200 1HB SER 28 1HB SER 28 2.720 -8.873 3.122 201 2HB SER 28 2HB SER 28 2.192 -8.138 4.636 202 HG SER 28 HG SER 28 3.119 -6.936 2.293 203 H VAL 29 H VAL 29 5.635 -6.673 3.101 204 HA VAL 29 HA VAL 29 5.434 -4.398 4.732 205 HB VAL 29 HB VAL 29 6.810 -5.509 6.344 206 1HG1 VAL 29 1HG1 VAL 29 8.007 -6.694 4.047 207 2HG1 VAL 29 2HG1 VAL 29 9.268 -5.915 5.006 208 3HG1 VAL 29 3HG1 VAL 29 8.213 -7.120 5.746 209 1HG2 VAL 29 1HG2 VAL 29 8.964 -3.923 5.136 210 2HG2 VAL 29 2HG2 VAL 29 7.415 -3.089 5.265 211 3HG2 VAL 29 3HG2 VAL 29 8.178 -3.761 6.706 212 H VAL 30 H VAL 30 5.410 -2.993 3.101 213 HA VAL 30 HA VAL 30 7.764 -2.785 1.395 214 HB VAL 30 HB VAL 30 4.991 -2.895 0.202 215 1HG1 VAL 30 1HG1 VAL 30 6.364 -3.029 -1.935 216 2HG1 VAL 30 2HG1 VAL 30 6.316 -1.466 -1.118 217 3HG1 VAL 30 3HG1 VAL 30 7.735 -2.501 -0.959 218 1HG2 VAL 30 1HG2 VAL 30 7.211 -4.934 0.075 219 2HG2 VAL 30 2HG2 VAL 30 5.696 -5.108 0.960 220 3HG2 VAL 30 3HG2 VAL 30 5.682 -5.016 -0.801 221 H GLN 31 H GLN 31 8.111 -0.724 0.555 222 HA GLN 31 HA GLN 31 6.336 1.365 1.636 223 1HB GLN 31 1HB GLN 31 8.423 2.820 1.524 224 2HB GLN 31 2HB GLN 31 8.396 1.575 2.766 225 1HG GLN 31 1HG GLN 31 9.851 0.175 1.493 226 2HG GLN 31 2HG GLN 31 9.746 1.250 0.099 227 1HE2 GLN 31 1HE2 GLN 31 11.120 0.750 3.241 228 2HE2 GLN 31 2HE2 GLN 31 12.288 2.020 3.160 229 H PHE 32 H PHE 32 5.712 3.040 0.328 230 HA PHE 32 HA PHE 32 6.782 3.228 -2.372 231 1HB PHE 32 1HB PHE 32 4.232 1.992 -1.748 232 2HB PHE 32 2HB PHE 32 4.026 3.393 -2.794 233 HD1 PHE 32 1HD PHE 32 4.575 3.298 -5.073 234 HD2 PHE 32 2HD PHE 32 5.776 0.153 -2.468 235 HE1 PHE 32 1HE PHE 32 5.239 1.944 -7.018 236 HE2 PHE 32 2HE PHE 32 6.443 -1.205 -4.408 237 HZ PHE 32 HZ PHE 32 6.176 -0.309 -6.687 238 H LYS 33 H LYS 33 5.731 5.107 -3.561 239 HA LYS 33 HA LYS 33 4.866 7.216 -1.711 240 1HB LYS 33 1HB LYS 33 6.875 7.728 -3.898 241 2HB LYS 33 2HB LYS 33 6.403 8.802 -2.588 242 1HG LYS 33 1HG LYS 33 7.354 6.885 -1.081 243 2HG LYS 33 2HG LYS 33 8.229 6.452 -2.552 244 1HD LYS 33 1HD LYS 33 9.197 8.670 -2.667 245 2HD LYS 33 2HD LYS 33 8.253 9.183 -1.267 246 1HE LYS 33 1HE LYS 33 10.420 8.709 -0.457 247 2HE LYS 33 2HE LYS 33 9.411 7.346 0.026 248 1HZ LYS 33 1HZ LYS 33 10.599 5.945 -1.212 249 2HZ LYS 33 2HZ LYS 33 11.775 7.159 -1.273 250 3HZ LYS 33 3HZ LYS 33 10.663 6.994 -2.538 251 H ILE 34 H ILE 34 3.265 8.486 -2.465 252 HA ILE 34 HA ILE 34 2.769 8.801 -5.285 253 HB ILE 34 HB ILE 34 1.694 6.569 -4.557 254 1HG1 ILE 34 1HG1 ILE 34 -0.450 8.239 -5.703 255 2HG1 ILE 34 2HG1 ILE 34 1.106 8.374 -6.513 256 1HG2 ILE 34 1HG2 ILE 34 0.692 7.933 -2.509 257 2HG2 ILE 34 2HG2 ILE 34 -0.624 8.182 -3.655 258 3HG2 ILE 34 3HG2 ILE 34 -0.140 6.545 -3.211 259 1HD1 ILE 34 1HD1 ILE 34 -0.379 5.807 -6.012 260 2HD1 ILE 34 2HD1 ILE 34 -0.324 6.686 -7.540 261 3HD1 ILE 34 3HD1 ILE 34 1.148 5.979 -6.876 262 H LYS 35 H LYS 35 0.902 10.238 -5.699 263 HA LYS 35 HA LYS 35 0.971 12.499 -4.023 264 1HB LYS 35 1HB LYS 35 -1.209 11.910 -6.019 265 2HB LYS 35 2HB LYS 35 -0.599 13.480 -5.512 266 1HG LYS 35 1HG LYS 35 1.585 12.878 -6.574 267 2HG LYS 35 2HG LYS 35 0.795 11.442 -7.229 268 1HD LYS 35 1HD LYS 35 -0.412 14.143 -7.669 269 2HD LYS 35 2HD LYS 35 0.945 13.612 -8.666 270 1HE LYS 35 1HE LYS 35 -0.462 11.471 -9.018 271 2HE LYS 35 2HE LYS 35 -1.809 12.451 -8.442 272 1HZ LYS 35 1HZ LYS 35 -1.827 12.663 -10.756 273 2HZ LYS 35 2HZ LYS 35 -0.151 12.863 -10.856 274 3HZ LYS 35 3HZ LYS 35 -1.112 14.097 -10.214 275 H ARG 36 H ARG 36 -1.363 13.517 -3.482 276 HA ARG 36 HA ARG 36 -2.502 11.673 -1.522 277 1HB ARG 36 1HB ARG 36 -3.371 13.592 -0.406 278 2HB ARG 36 2HB ARG 36 -1.717 13.973 -0.867 279 1HG ARG 36 1HG ARG 36 -2.502 15.287 -2.737 280 2HG ARG 36 2HG ARG 36 -4.171 14.839 -2.380 281 1HD ARG 36 1HD ARG 36 -3.518 17.106 -1.568 282 2HD ARG 36 2HD ARG 36 -4.121 16.028 -0.309 283 HE ARG 36 HE ARG 36 -1.267 15.974 -0.558 284 1HH1 ARG 36 2HH1 ARG 36 -3.963 17.671 0.845 285 2HH1 ARG 36 1HH1 ARG 36 -3.036 18.333 2.150 286 1HH2 ARG 36 2HH2 ARG 36 -0.035 16.839 1.156 287 2HH2 ARG 36 1HH2 ARG 36 -0.801 17.860 2.325 288 H HIS 37 H HIS 37 -3.097 12.439 -4.631 289 HA HIS 37 HA HIS 37 -5.984 11.955 -4.323 290 1HB HIS 37 1HB HIS 37 -5.461 14.328 -4.988 291 2HB HIS 37 2HB HIS 37 -4.767 13.693 -6.476 292 HD1 HIS 37 1HD HIS 37 -6.714 15.253 -7.543 293 HD2 HIS 37 2HD HIS 37 -7.945 11.809 -5.572 294 HE1 HIS 37 1HE HIS 37 -9.067 14.836 -8.325 295 H THR 38 H THR 38 -4.487 9.805 -4.565 296 HA THR 38 HA THR 38 -4.594 9.073 -7.419 297 HB THR 38 HB THR 38 -2.321 9.017 -6.212 298 HG1 THR 38 1HG THR 38 -2.968 6.497 -7.291 299 1HG2 THR 38 1HG2 THR 38 -3.195 7.901 -4.167 300 2HG2 THR 38 2HG2 THR 38 -1.836 7.051 -4.901 301 3HG2 THR 38 3HG2 THR 38 -3.478 6.449 -5.126 302 HA PRO 39 HA PRO 39 -7.767 6.191 -6.389 303 1HB PRO 39 1HB PRO 39 -7.541 4.552 -8.540 304 2HB PRO 39 2HB PRO 39 -8.256 6.166 -8.633 305 1HG PRO 39 1HG PRO 39 -5.492 5.274 -9.359 306 2HG PRO 39 2HG PRO 39 -6.578 6.374 -10.229 307 1HD PRO 39 1HD PRO 39 -4.542 7.260 -8.680 308 2HD PRO 39 2HD PRO 39 -6.059 8.163 -8.872 309 H LEU 40 H LEU 40 -7.545 4.743 -4.807 310 HA LEU 40 HA LEU 40 -5.308 3.280 -4.157 311 1HB LEU 40 1HB LEU 40 -8.213 2.959 -3.586 312 2HB LEU 40 2HB LEU 40 -7.113 1.660 -3.129 313 HG LEU 40 HG LEU 40 -6.959 4.520 -2.176 314 1HD1 LEU 40 1HD1 LEU 40 -8.007 3.902 -0.255 315 2HD1 LEU 40 2HD1 LEU 40 -7.474 2.225 -0.370 316 3HD1 LEU 40 3HD1 LEU 40 -8.806 2.797 -1.374 317 1HD2 LEU 40 1HD2 LEU 40 -5.250 2.102 -1.683 318 2HD2 LEU 40 2HD2 LEU 40 -5.325 3.441 -0.536 319 3HD2 LEU 40 3HD2 LEU 40 -4.757 3.720 -2.184 320 H SER 41 H SER 41 -7.780 2.558 -6.508 321 HA SER 41 HA SER 41 -7.444 -0.160 -6.880 322 1HB SER 41 1HB SER 41 -8.167 0.255 -9.238 323 2HB SER 41 2HB SER 41 -9.190 1.049 -8.041 324 HG SER 41 HG SER 41 -7.256 2.186 -9.751 325 H LYS 42 H LYS 42 -5.666 2.485 -8.463 326 HA LYS 42 HA LYS 42 -4.001 1.017 -10.095 327 1HB LYS 42 1HB LYS 42 -2.621 2.912 -10.230 328 2HB LYS 42 2HB LYS 42 -4.213 3.562 -9.859 329 1HG LYS 42 1HG LYS 42 -3.048 4.743 -8.338 330 2HG LYS 42 2HG LYS 42 -3.264 3.282 -7.371 331 1HD LYS 42 1HD LYS 42 -0.991 3.693 -7.165 332 2HD LYS 42 2HD LYS 42 -1.049 2.518 -8.482 333 1HE LYS 42 1HE LYS 42 -1.190 5.401 -9.183 334 2HE LYS 42 2HE LYS 42 0.362 4.762 -8.646 335 1HZ LYS 42 1HZ LYS 42 -0.229 2.912 -10.388 336 2HZ LYS 42 2HZ LYS 42 0.504 4.360 -10.866 337 3HZ LYS 42 3HZ LYS 42 -1.162 4.149 -11.068 338 H LEU 43 H LEU 43 -3.892 1.392 -6.641 339 HA LEU 43 HA LEU 43 -1.213 0.442 -6.311 340 1HB LEU 43 1HB LEU 43 -2.812 1.817 -4.714 341 2HB LEU 43 2HB LEU 43 -3.228 0.204 -4.138 342 HG LEU 43 HG LEU 43 -1.562 1.080 -2.686 343 1HD1 LEU 43 1HD1 LEU 43 -1.307 -1.270 -3.228 344 2HD1 LEU 43 2HD1 LEU 43 0.271 -0.521 -2.989 345 3HD1 LEU 43 3HD1 LEU 43 -0.304 -0.861 -4.620 346 1HD2 LEU 43 1HD2 LEU 43 0.757 1.439 -4.118 347 2HD2 LEU 43 2HD2 LEU 43 -0.283 2.720 -3.497 348 3HD2 LEU 43 3HD2 LEU 43 -0.469 2.161 -5.160 349 H MET 44 H MET 44 -4.328 -1.025 -5.364 350 HA MET 44 HA MET 44 -3.387 -3.567 -4.821 351 1HB MET 44 1HB MET 44 -5.728 -4.328 -5.331 352 2HB MET 44 2HB MET 44 -5.618 -2.988 -4.198 353 1HG MET 44 1HG MET 44 -6.070 -1.447 -6.115 354 2HG MET 44 2HG MET 44 -6.390 -2.872 -7.099 355 1HE MET 44 1HE MET 44 -9.562 -3.363 -7.176 356 2HE MET 44 2HE MET 44 -8.030 -4.235 -7.125 357 3HE MET 44 3HE MET 44 -9.263 -4.544 -5.901 358 H LYS 45 H LYS 45 -4.620 -2.295 -7.901 359 HA LYS 45 HA LYS 45 -4.510 -4.573 -9.445 360 1HB LYS 45 1HB LYS 45 -3.990 -1.687 -10.128 361 2HB LYS 45 2HB LYS 45 -3.951 -2.947 -11.355 362 1HG LYS 45 1HG LYS 45 -6.318 -2.455 -9.568 363 2HG LYS 45 2HG LYS 45 -6.115 -1.703 -11.152 364 1HD LYS 45 1HD LYS 45 -5.882 -4.669 -10.895 365 2HD LYS 45 2HD LYS 45 -7.482 -3.923 -10.899 366 1HE LYS 45 1HE LYS 45 -7.166 -4.341 -13.141 367 2HE LYS 45 2HE LYS 45 -6.585 -2.682 -13.011 368 1HZ LYS 45 1HZ LYS 45 -4.594 -3.317 -13.700 369 2HZ LYS 45 2HZ LYS 45 -5.201 -4.871 -13.979 370 3HZ LYS 45 3HZ LYS 45 -4.480 -4.499 -12.494 371 H ALA 46 H ALA 46 -1.907 -2.148 -9.151 372 HA ALA 46 HA ALA 46 0.021 -3.623 -10.563 373 1HB ALA 46 1HB ALA 46 0.361 -1.291 -10.266 374 2HB ALA 46 2HB ALA 46 0.301 -1.440 -8.509 375 3HB ALA 46 3HB ALA 46 1.662 -2.115 -9.406 376 H TYR 47 H TYR 47 -0.856 -3.568 -7.153 377 HA TYR 47 HA TYR 47 1.277 -4.887 -6.016 378 1HB TYR 47 1HB TYR 47 -1.123 -4.031 -5.101 379 2HB TYR 47 2HB TYR 47 -1.388 -5.771 -5.084 380 HD1 TYR 47 1HD TYR 47 -0.919 -3.451 -2.851 381 HD2 TYR 47 2HD TYR 47 1.300 -6.756 -4.353 382 HE1 TYR 47 1HE TYR 47 0.285 -3.607 -0.712 383 HE2 TYR 47 2HE TYR 47 2.509 -6.922 -2.218 384 HH TYR 47 HH TYR 47 2.243 -6.288 0.103 385 H CYS 48 H CYS 48 -1.759 -6.559 -6.849 386 HA CYS 48 HA CYS 48 -0.808 -9.141 -6.687 387 1HB CYS 48 1HB CYS 48 -3.141 -8.884 -6.875 388 2HB CYS 48 2HB CYS 48 -3.004 -7.915 -8.337 389 HG CYS 48 HG CYS 48 -3.520 -11.118 -8.063 390 H GLU 49 H GLU 49 -0.477 -6.834 -9.292 391 HA GLU 49 HA GLU 49 0.194 -8.445 -11.423 392 1HB GLU 49 1HB GLU 49 0.065 -5.826 -11.159 393 2HB GLU 49 2HB GLU 49 1.802 -5.974 -10.927 394 1HG GLU 49 1HG GLU 49 1.504 -5.530 -13.206 395 2HG GLU 49 2HG GLU 49 1.852 -7.255 -13.104 396 H ARG 50 H ARG 50 2.319 -7.265 -8.836 397 HA ARG 50 HA ARG 50 4.490 -8.944 -9.844 398 1HB ARG 50 1HB ARG 50 5.808 -7.798 -8.012 399 2HB ARG 50 2HB ARG 50 5.218 -6.753 -9.297 400 1HG ARG 50 1HG ARG 50 3.714 -5.695 -7.939 401 2HG ARG 50 2HG ARG 50 3.557 -7.077 -6.853 402 1HD ARG 50 1HD ARG 50 4.734 -5.347 -5.693 403 2HD ARG 50 2HD ARG 50 5.878 -6.636 -6.066 404 HE ARG 50 HE ARG 50 5.908 -4.669 -8.099 405 1HH1 ARG 50 2HH1 ARG 50 6.939 -5.240 -4.824 406 2HH1 ARG 50 1HH1 ARG 50 8.282 -4.149 -4.918 407 1HH2 ARG 50 2HH2 ARG 50 7.671 -3.229 -8.236 408 2HH2 ARG 50 1HH2 ARG 50 8.696 -3.005 -6.859 409 H GLN 51 H GLN 51 2.351 -8.585 -7.078 410 HA GLN 51 HA GLN 51 3.270 -11.211 -6.118 411 1HB GLN 51 1HB GLN 51 2.945 -8.660 -4.625 412 2HB GLN 51 2HB GLN 51 2.457 -10.140 -3.810 413 1HG GLN 51 1HG GLN 51 4.615 -10.068 -3.142 414 2HG GLN 51 2HG GLN 51 4.832 -10.948 -4.654 415 1HE2 GLN 51 1HE2 GLN 51 5.462 -8.061 -2.918 416 2HE2 GLN 51 2HE2 GLN 51 6.436 -7.287 -4.116 417 H GLY 52 H GLY 52 1.389 -11.729 -7.614 418 1HA GLY 52 2HA GLY 52 -1.241 -11.169 -6.503 419 2HA GLY 52 3HA GLY 52 -0.899 -12.042 -7.990 420 H LEU 53 H LEU 53 -0.617 -12.344 -4.459 421 HA LEU 53 HA LEU 53 -0.632 -15.244 -4.673 422 1HB LEU 53 1HB LEU 53 -0.747 -13.770 -2.081 423 2HB LEU 53 2HB LEU 53 0.021 -15.311 -2.458 424 HG LEU 53 HG LEU 53 1.440 -13.472 -3.969 425 1HD1 LEU 53 1HD1 LEU 53 1.180 -11.467 -3.051 426 2HD1 LEU 53 2HD1 LEU 53 1.975 -12.103 -1.611 427 3HD1 LEU 53 3HD1 LEU 53 0.215 -12.124 -1.728 428 1HD2 LEU 53 1HD2 LEU 53 2.309 -14.261 -1.220 429 2HD2 LEU 53 2HD2 LEU 53 3.246 -14.176 -2.712 430 3HD2 LEU 53 3HD2 LEU 53 2.093 -15.489 -2.468 431 H SER 54 H SER 54 -2.598 -12.704 -3.142 432 HA SER 54 HA SER 54 -5.014 -14.169 -3.668 433 1HB SER 54 1HB SER 54 -5.539 -13.908 -1.055 434 2HB SER 54 2HB SER 54 -4.809 -15.367 -1.725 435 HG SER 54 HG SER 54 -3.573 -13.246 -0.334 436 H MET 55 H MET 55 -5.530 -12.265 -4.794 437 HA MET 55 HA MET 55 -5.426 -9.668 -3.816 438 1HB MET 55 1HB MET 55 -7.179 -9.154 -5.488 439 2HB MET 55 2HB MET 55 -5.868 -10.119 -6.152 440 1HG MET 55 1HG MET 55 -7.491 -12.102 -5.488 441 2HG MET 55 2HG MET 55 -8.701 -10.834 -5.670 442 1HE MET 55 1HE MET 55 -5.567 -12.488 -7.832 443 2HE MET 55 2HE MET 55 -6.808 -13.491 -7.080 444 3HE MET 55 3HE MET 55 -6.775 -13.293 -8.833 445 H ARG 56 H ARG 56 -7.751 -12.207 -3.224 446 HA ARG 56 HA ARG 56 -9.795 -10.584 -2.119 447 1HB ARG 56 1HB ARG 56 -10.071 -12.945 -2.937 448 2HB ARG 56 2HB ARG 56 -9.230 -13.483 -1.490 449 1HG ARG 56 1HG ARG 56 -11.375 -13.715 -0.786 450 2HG ARG 56 2HG ARG 56 -11.095 -12.042 -0.299 451 1HD ARG 56 1HD ARG 56 -13.163 -11.990 -1.389 452 2HD ARG 56 2HD ARG 56 -12.018 -11.410 -2.597 453 HE ARG 56 HE ARG 56 -12.520 -14.243 -2.712 454 1HH1 ARG 56 2HH1 ARG 56 -13.543 -11.092 -3.782 455 2HH1 ARG 56 1HH1 ARG 56 -14.337 -11.688 -5.202 456 1HH2 ARG 56 2HH2 ARG 56 -13.561 -15.040 -4.579 457 2HH2 ARG 56 1HH2 ARG 56 -14.347 -13.934 -5.654 458 H GLN 57 H GLN 57 -6.810 -11.810 -0.887 459 HA GLN 57 HA GLN 57 -7.567 -11.288 1.881 460 1HB GLN 57 1HB GLN 57 -5.337 -12.703 0.523 461 2HB GLN 57 2HB GLN 57 -4.982 -11.963 2.078 462 1HG GLN 57 1HG GLN 57 -5.644 -14.348 2.210 463 2HG GLN 57 2HG GLN 57 -6.655 -13.264 3.164 464 1HE2 GLN 57 1HE2 GLN 57 -8.763 -13.490 2.963 465 2HE2 GLN 57 2HE2 GLN 57 -9.582 -14.264 1.654 466 H ILE 58 H ILE 58 -4.924 -10.328 -0.316 467 HA ILE 58 HA ILE 58 -3.916 -8.271 1.294 468 HB ILE 58 HB ILE 58 -3.820 -8.498 -1.716 469 1HG1 ILE 58 1HG1 ILE 58 -1.827 -9.371 0.387 470 2HG1 ILE 58 2HG1 ILE 58 -2.880 -10.449 -0.523 471 1HG2 ILE 58 1HG2 ILE 58 -1.549 -7.192 -0.629 472 2HG2 ILE 58 2HG2 ILE 58 -2.764 -6.549 -1.733 473 3HG2 ILE 58 3HG2 ILE 58 -2.991 -6.404 0.010 474 1HD1 ILE 58 1HD1 ILE 58 -0.856 -8.644 -1.813 475 2HD1 ILE 58 2HD1 ILE 58 -0.521 -10.309 -1.335 476 3HD1 ILE 58 3HD1 ILE 58 -1.753 -9.971 -2.551 477 H ARG 59 H ARG 59 -4.931 -6.503 1.951 478 HA ARG 59 HA ARG 59 -6.226 -4.758 0.068 479 1HB ARG 59 1HB ARG 59 -7.881 -6.636 1.102 480 2HB ARG 59 2HB ARG 59 -8.026 -5.384 2.328 481 1HG ARG 59 1HG ARG 59 -8.425 -3.814 0.293 482 2HG ARG 59 2HG ARG 59 -8.812 -5.317 -0.547 483 1HD ARG 59 1HD ARG 59 -10.111 -5.290 2.001 484 2HD ARG 59 2HD ARG 59 -10.470 -3.789 1.148 485 HE ARG 59 HE ARG 59 -11.724 -4.979 -0.357 486 1HH1 ARG 59 2HH1 ARG 59 -9.768 -7.175 1.507 487 2HH1 ARG 59 1HH1 ARG 59 -10.546 -8.596 0.892 488 1HH2 ARG 59 2HH2 ARG 59 -12.755 -6.842 -1.174 489 2HH2 ARG 59 1HH2 ARG 59 -12.244 -8.406 -0.634 490 H PHE 60 H PHE 60 -6.576 -2.662 0.892 491 HA PHE 60 HA PHE 60 -4.824 -1.968 3.061 492 1HB PHE 60 1HB PHE 60 -6.540 -0.399 1.157 493 2HB PHE 60 2HB PHE 60 -5.779 0.385 2.537 494 HD1 PHE 60 1HD PHE 60 -5.392 -0.559 -0.833 495 HD2 PHE 60 2HD PHE 60 -3.215 0.002 2.782 496 HE1 PHE 60 1HE PHE 60 -3.313 -0.315 -2.126 497 HE2 PHE 60 2HE PHE 60 -1.133 0.249 1.494 498 HZ PHE 60 HZ PHE 60 -1.181 0.091 -0.964 499 H ARG 61 H ARG 61 -5.364 -1.877 5.130 500 HA ARG 61 HA ARG 61 -8.001 -0.950 5.924 501 1HB ARG 61 1HB ARG 61 -8.673 -2.844 7.099 502 2HB ARG 61 2HB ARG 61 -7.984 -3.523 5.630 503 1HG ARG 61 1HG ARG 61 -6.954 -4.874 7.111 504 2HG ARG 61 2HG ARG 61 -5.800 -3.540 7.166 505 1HD ARG 61 1HD ARG 61 -6.436 -2.895 9.247 506 2HD ARG 61 2HD ARG 61 -8.115 -3.371 8.997 507 HE ARG 61 HE ARG 61 -6.077 -4.924 10.212 508 1HH1 ARG 61 2HH1 ARG 61 -8.874 -5.165 8.152 509 2HH1 ARG 61 1HH1 ARG 61 -9.232 -6.797 8.610 510 1HH2 ARG 61 2HH2 ARG 61 -6.539 -7.073 10.823 511 2HH2 ARG 61 1HH2 ARG 61 -7.905 -7.881 10.130 512 H PHE 62 H PHE 62 -8.032 0.010 7.922 513 HA PHE 62 HA PHE 62 -5.413 0.364 9.187 514 1HB PHE 62 1HB PHE 62 -6.838 2.341 8.413 515 2HB PHE 62 2HB PHE 62 -7.903 1.963 9.763 516 HD1 PHE 62 1HD PHE 62 -4.261 2.467 9.116 517 HD2 PHE 62 2HD PHE 62 -7.573 3.124 11.708 518 HE1 PHE 62 1HE PHE 62 -2.823 3.789 10.612 519 HE2 PHE 62 2HE PHE 62 -6.140 4.448 13.208 520 HZ PHE 62 HZ PHE 62 -3.762 4.782 12.660 521 H ASP 63 H ASP 63 -5.402 0.590 11.587 522 HA ASP 63 HA ASP 63 -6.633 -1.716 12.765 523 1HB ASP 63 1HB ASP 63 -4.992 0.481 14.045 524 2HB ASP 63 2HB ASP 63 -5.424 -1.050 14.802 525 H GLY 64 H GLY 64 -8.797 -0.540 12.061 526 1HA GLY 64 2HA GLY 64 -10.150 0.091 14.477 527 2HA GLY 64 3HA GLY 64 -9.883 1.548 13.531 528 H GLN 65 H GLN 65 -10.123 0.219 10.964 529 HA GLN 65 HA GLN 65 -12.537 -1.179 10.696 530 1HB GLN 65 1HB GLN 65 -13.843 0.773 9.642 531 2HB GLN 65 2HB GLN 65 -13.788 0.666 11.396 532 1HG GLN 65 1HG GLN 65 -11.673 2.277 10.124 533 2HG GLN 65 2HG GLN 65 -13.312 2.916 10.027 534 1HE2 GLN 65 1HE2 GLN 65 -10.654 3.325 11.671 535 2HE2 GLN 65 2HE2 GLN 65 -11.262 3.636 13.258 536 HA PRO 66 HA PRO 66 -11.015 -1.617 6.605 537 1HB PRO 66 1HB PRO 66 -13.299 -2.073 5.210 538 2HB PRO 66 2HB PRO 66 -12.592 -3.262 6.311 539 1HG PRO 66 1HG PRO 66 -14.855 -1.359 6.779 540 2HG PRO 66 2HG PRO 66 -14.716 -3.067 7.236 541 1HD PRO 66 1HD PRO 66 -14.297 -1.050 8.993 542 2HD PRO 66 2HD PRO 66 -13.430 -2.596 9.090 543 H ILE 67 H ILE 67 -10.609 -0.463 4.756 544 HA ILE 67 HA ILE 67 -11.581 2.256 4.691 545 HB ILE 67 HB ILE 67 -9.821 1.034 2.588 546 1HG1 ILE 67 1HG1 ILE 67 -8.844 0.347 4.706 547 2HG1 ILE 67 2HG1 ILE 67 -7.871 1.631 3.999 548 1HG2 ILE 67 1HG2 ILE 67 -8.893 3.538 3.216 549 2HG2 ILE 67 2HG2 ILE 67 -9.977 3.148 1.882 550 3HG2 ILE 67 3HG2 ILE 67 -10.636 3.707 3.418 551 1HD1 ILE 67 1HD1 ILE 67 -8.994 3.243 5.497 552 2HD1 ILE 67 2HD1 ILE 67 -9.841 1.894 6.255 553 3HD1 ILE 67 3HD1 ILE 67 -8.083 1.999 6.354 554 H ASN 68 H ASN 68 -12.377 3.248 2.690 555 HA ASN 68 HA ASN 68 -14.386 1.546 1.454 556 1HB ASN 68 1HB ASN 68 -14.048 4.464 0.842 557 2HB ASN 68 2HB ASN 68 -15.521 3.498 0.868 558 1HD2 ASN 68 1HD2 ASN 68 -14.530 6.025 2.255 559 2HD2 ASN 68 2HD2 ASN 68 -14.934 5.762 3.915 560 H GLU 69 H GLU 69 -14.831 2.322 -0.974 561 HA GLU 69 HA GLU 69 -12.364 1.678 -2.405 562 1HB GLU 69 1HB GLU 69 -13.812 1.142 -4.295 563 2HB GLU 69 2HB GLU 69 -14.339 0.291 -2.850 564 1HG GLU 69 1HG GLU 69 -16.013 2.168 -2.531 565 2HG GLU 69 2HG GLU 69 -15.607 2.666 -4.172 566 H THR 70 H THR 70 -14.715 4.219 -2.024 567 HA THR 70 HA THR 70 -13.459 5.780 -4.167 568 HB THR 70 HB THR 70 -15.937 5.606 -4.171 569 HG1 THR 70 1HG THR 70 -14.737 7.514 -4.948 570 1HG2 THR 70 1HG2 THR 70 -15.609 6.230 -1.409 571 2HG2 THR 70 2HG2 THR 70 -17.089 5.827 -2.279 572 3HG2 THR 70 3HG2 THR 70 -16.564 7.506 -2.162 573 H ASP 71 H ASP 71 -12.340 5.245 -1.424 574 HA ASP 71 HA ASP 71 -12.352 7.899 -0.222 575 1HB ASP 71 1HB ASP 71 -11.482 6.929 1.689 576 2HB ASP 71 2HB ASP 71 -12.403 5.586 1.018 577 H THR 72 H THR 72 -10.155 8.722 0.546 578 HA THR 72 HA THR 72 -7.967 8.121 -1.283 579 HB THR 72 HB THR 72 -7.752 10.784 -1.431 580 HG1 THR 72 1HG THR 72 -9.705 11.218 -0.358 581 1HG2 THR 72 1HG2 THR 72 -7.966 10.377 -3.620 582 2HG2 THR 72 2HG2 THR 72 -9.655 9.901 -3.441 583 3HG2 THR 72 3HG2 THR 72 -8.373 8.721 -3.173 584 HA PRO 73 HA PRO 73 -5.409 8.974 2.180 585 1HB PRO 73 1HB PRO 73 -3.211 10.060 1.014 586 2HB PRO 73 2HB PRO 73 -3.619 8.345 0.886 587 1HG PRO 73 1HG PRO 73 -4.092 10.555 -1.077 588 2HG PRO 73 2HG PRO 73 -3.512 8.905 -1.369 589 1HD PRO 73 1HD PRO 73 -6.079 9.646 -1.807 590 2HD PRO 73 2HD PRO 73 -5.634 8.010 -1.283 591 H ALA 74 H ALA 74 -6.451 11.540 0.143 592 HA ALA 74 HA ALA 74 -5.372 13.616 1.883 593 1HB ALA 74 1HB ALA 74 -5.343 13.876 -0.590 594 2HB ALA 74 2HB ALA 74 -7.105 13.937 -0.562 595 3HB ALA 74 3HB ALA 74 -6.167 15.187 0.255 596 H GLN 75 H GLN 75 -7.891 11.595 2.097 597 HA GLN 75 HA GLN 75 -9.578 13.604 3.436 598 1HB GLN 75 1HB GLN 75 -10.404 12.438 1.209 599 2HB GLN 75 2HB GLN 75 -10.804 11.126 2.310 600 1HG GLN 75 1HG GLN 75 -12.098 12.793 3.666 601 2HG GLN 75 2HG GLN 75 -11.848 13.942 2.353 602 1HE2 GLN 75 1HE2 GLN 75 -13.797 11.498 3.562 603 2HE2 GLN 75 2HE2 GLN 75 -14.777 11.233 2.165 604 H LEU 76 H LEU 76 -7.585 11.062 3.899 605 HA LEU 76 HA LEU 76 -9.003 10.241 6.346 606 1HB LEU 76 1HB LEU 76 -7.616 8.594 4.284 607 2HB LEU 76 2HB LEU 76 -7.587 8.063 5.964 608 HG LEU 76 HG LEU 76 -10.066 8.524 4.305 609 1HD1 LEU 76 1HD1 LEU 76 -8.390 6.457 4.014 610 2HD1 LEU 76 2HD1 LEU 76 -10.140 6.314 3.847 611 3HD1 LEU 76 3HD1 LEU 76 -9.359 5.859 5.361 612 1HD2 LEU 76 1HD2 LEU 76 -9.619 8.220 7.162 613 2HD2 LEU 76 2HD2 LEU 76 -10.721 7.006 6.511 614 3HD2 LEU 76 3HD2 LEU 76 -11.067 8.722 6.288 615 H GLU 77 H GLU 77 -6.443 11.885 5.175 616 HA GLU 77 HA GLU 77 -4.406 12.526 5.972 617 1HB GLU 77 1HB GLU 77 -5.457 11.736 8.684 618 2HB GLU 77 2HB GLU 77 -4.294 12.996 8.300 619 1HG GLU 77 1HG GLU 77 -6.094 14.225 7.119 620 2HG GLU 77 2HG GLU 77 -7.235 13.001 7.670 621 H MET 78 H MET 78 -4.257 10.037 4.938 622 HA MET 78 HA MET 78 -2.833 8.379 6.889 623 1HB MET 78 1HB MET 78 -3.610 7.709 4.047 624 2HB MET 78 2HB MET 78 -2.990 6.593 5.257 625 1HG MET 78 1HG MET 78 -5.604 8.072 5.445 626 2HG MET 78 2HG MET 78 -5.415 6.401 4.919 627 1HE MET 78 1HE MET 78 -5.142 4.353 6.573 628 2HE MET 78 2HE MET 78 -6.085 4.610 8.041 629 3HE MET 78 3HE MET 78 -6.737 5.101 6.477 630 H GLU 79 H GLU 79 -1.377 10.548 6.442 631 HA GLU 79 HA GLU 79 0.666 9.717 4.487 632 1HB GLU 79 1HB GLU 79 0.580 12.516 5.503 633 2HB GLU 79 2HB GLU 79 1.096 11.908 3.937 634 1HG GLU 79 1HG GLU 79 -1.278 11.468 3.382 635 2HG GLU 79 2HG GLU 79 -1.733 12.227 4.906 636 H ASP 80 H ASP 80 2.742 11.317 5.294 637 HA ASP 80 HA ASP 80 4.487 11.433 6.749 638 1HB ASP 80 1HB ASP 80 2.650 10.785 9.034 639 2HB ASP 80 2HB ASP 80 4.050 11.854 9.005 640 H GLU 81 H GLU 81 4.308 9.091 5.457 641 HA GLU 81 HA GLU 81 5.050 6.941 5.480 642 1HB GLU 81 1HB GLU 81 5.948 7.424 8.317 643 2HB GLU 81 2HB GLU 81 6.608 6.281 7.156 644 1HG GLU 81 1HG GLU 81 7.412 8.153 5.789 645 2HG GLU 81 2HG GLU 81 6.787 9.281 6.991 646 H ASP 82 H ASP 82 2.379 7.279 6.017 647 HA ASP 82 HA ASP 82 1.479 5.972 8.356 648 1HB ASP 82 1HB ASP 82 0.258 7.399 6.398 649 2HB ASP 82 2HB ASP 82 -0.217 5.765 5.945 650 H THR 83 H THR 83 1.609 3.904 8.887 651 HA THR 83 HA THR 83 2.221 1.932 6.815 652 HB THR 83 HB THR 83 2.179 1.395 9.778 653 HG1 THR 83 1HG THR 83 4.171 2.235 9.955 654 1HG2 THR 83 1HG2 THR 83 4.246 0.110 8.241 655 2HG2 THR 83 2HG2 THR 83 2.667 -0.188 7.514 656 3HG2 THR 83 3HG2 THR 83 2.956 -0.613 9.200 657 H ILE 84 H ILE 84 0.397 1.215 5.869 658 HA ILE 84 HA ILE 84 -1.985 0.702 7.458 659 HB ILE 84 HB ILE 84 -1.604 0.234 4.502 660 1HG1 ILE 84 1HG1 ILE 84 -2.716 2.682 5.890 661 2HG1 ILE 84 2HG1 ILE 84 -1.133 2.590 5.126 662 1HG2 ILE 84 1HG2 ILE 84 -3.510 -0.929 5.306 663 2HG2 ILE 84 2HG2 ILE 84 -4.024 0.450 6.275 664 3HG2 ILE 84 3HG2 ILE 84 -4.102 0.532 4.515 665 1HD1 ILE 84 1HD1 ILE 84 -3.815 2.391 3.785 666 2HD1 ILE 84 2HD1 ILE 84 -2.631 3.690 3.638 667 3HD1 ILE 84 3HD1 ILE 84 -2.276 2.094 2.977 668 H ASP 85 H ASP 85 -2.700 -1.254 8.066 669 HA ASP 85 HA ASP 85 -0.956 -3.508 7.843 670 1HB ASP 85 1HB ASP 85 -2.576 -2.875 9.775 671 2HB ASP 85 2HB ASP 85 -3.799 -3.682 8.797 672 H VAL 86 H VAL 86 -0.986 -5.139 6.427 673 HA VAL 86 HA VAL 86 -3.308 -5.371 4.625 674 HB VAL 86 HB VAL 86 -1.020 -4.444 3.700 675 1HG1 VAL 86 1HG1 VAL 86 -0.582 -7.414 3.434 676 2HG1 VAL 86 2HG1 VAL 86 0.482 -6.115 2.888 677 3HG1 VAL 86 3HG1 VAL 86 0.247 -6.399 4.614 678 1HG2 VAL 86 1HG2 VAL 86 -2.270 -6.622 2.075 679 2HG2 VAL 86 2HG2 VAL 86 -3.207 -5.194 2.516 680 3HG2 VAL 86 3HG2 VAL 86 -1.728 -5.021 1.572 681 H PHE 87 H PHE 87 -3.344 -7.549 3.493 682 HA PHE 87 HA PHE 87 -2.464 -9.668 5.340 683 1HB PHE 87 1HB PHE 87 -5.017 -9.022 5.192 684 2HB PHE 87 2HB PHE 87 -4.960 -9.994 3.725 685 HD1 PHE 87 1HD PHE 87 -5.350 -10.037 7.239 686 HD2 PHE 87 2HD PHE 87 -3.978 -12.371 3.955 687 HE1 PHE 87 1HE PHE 87 -5.600 -12.079 8.590 688 HE2 PHE 87 2HE PHE 87 -4.227 -14.416 5.300 689 HZ PHE 87 HZ PHE 87 -5.039 -14.272 7.620 690 H GLN 88 H GLN 88 -0.818 -10.609 4.292 691 HA GLN 88 HA GLN 88 -0.487 -10.748 1.516 692 1HB GLN 88 1HB GLN 88 1.414 -11.045 2.935 693 2HB GLN 88 2HB GLN 88 0.670 -12.415 3.748 694 1HG GLN 88 1HG GLN 88 1.029 -13.841 1.956 695 2HG GLN 88 2HG GLN 88 1.232 -12.512 0.815 696 1HE2 GLN 88 1HE2 GLN 88 2.731 -14.356 3.367 697 2HE2 GLN 88 2HE2 GLN 88 4.356 -13.873 3.031 698 H GLN 89 H GLN 89 -0.959 -13.625 3.553 699 HA GLN 89 HA GLN 89 -3.235 -14.551 2.127 700 1HB GLN 89 1HB GLN 89 -2.302 -16.339 0.863 701 2HB GLN 89 2HB GLN 89 -1.391 -14.895 0.442 702 1HG GLN 89 1HG GLN 89 0.238 -15.707 2.296 703 2HG GLN 89 2HG GLN 89 -0.549 -17.265 2.043 704 1HE2 GLN 89 1HE2 GLN 89 2.125 -15.736 1.316 705 2HE2 GLN 89 2HE2 GLN 89 2.432 -16.313 -0.284 706 H GLN 90 H GLN 90 -3.452 -17.075 2.587 707 HA GLN 90 HA GLN 90 -2.805 -17.415 5.438 708 1HB GLN 90 1HB GLN 90 -5.263 -17.314 4.468 709 2HB GLN 90 2HB GLN 90 -4.949 -19.005 4.102 710 1HG GLN 90 1HG GLN 90 -4.349 -18.040 6.842 711 2HG GLN 90 2HG GLN 90 -6.039 -18.239 6.379 712 1HE2 GLN 90 1HE2 GLN 90 -3.366 -19.751 7.637 713 2HE2 GLN 90 2HE2 GLN 90 -3.858 -21.394 7.432 714 H THR 91 H THR 91 -0.786 -18.087 3.795 715 HA THR 91 HA THR 91 -0.951 -20.994 3.413 716 HB THR 91 HB THR 91 -0.190 -19.608 1.482 717 HG1 THR 91 1HG THR 91 1.918 -21.261 2.431 718 1HG2 THR 91 1HG2 THR 91 1.084 -17.993 3.014 719 2HG2 THR 91 2HG2 THR 91 1.850 -18.446 1.492 720 3HG2 THR 91 3HG2 THR 91 2.371 -19.197 3.000 721 H GLY 92 H GLY 92 0.709 -18.490 5.197 722 1HA GLY 92 2HA GLY 92 1.859 -20.548 6.927 723 2HA GLY 92 3HA GLY 92 2.977 -19.423 6.169 724 H GLY 93 H GLY 93 3.589 -18.780 8.320 725 1HA GLY 93 2HA GLY 93 2.094 -16.493 9.209 726 2HA GLY 93 3HA GLY 93 2.013 -17.834 10.342 727 H VAL 94 H VAL 94 4.104 -15.477 8.820 728 HA VAL 94 HA VAL 94 5.840 -15.485 11.118 729 HB VAL 94 HB VAL 94 6.870 -17.308 9.909 730 1HG1 VAL 94 1HG1 VAL 94 6.861 -17.430 7.693 731 2HG1 VAL 94 2HG1 VAL 94 6.091 -15.843 7.626 732 3HG1 VAL 94 3HG1 VAL 94 7.850 -15.975 7.582 733 1HG2 VAL 94 1HG2 VAL 94 9.057 -16.561 9.994 734 2HG2 VAL 94 2HG2 VAL 94 8.657 -14.985 9.311 735 3HG2 VAL 94 3HG2 VAL 94 8.221 -15.360 10.978 736 H TYR 95 H TYR 95 6.327 -13.434 11.506 737 HA TYR 95 HA TYR 95 6.285 -11.531 9.262 738 1HB TYR 95 1HB TYR 95 5.962 -9.808 11.090 739 2HB TYR 95 2HB TYR 95 4.628 -10.933 10.863 740 HD1 TYR 95 1HD TYR 95 7.639 -10.334 12.967 741 HD2 TYR 95 2HD TYR 95 3.810 -12.164 12.671 742 HE1 TYR 95 1HE TYR 95 7.746 -10.931 15.351 743 HE2 TYR 95 2HE TYR 95 3.906 -12.765 15.054 744 HH TYR 95 HH TYR 95 5.033 -12.549 16.963 Start of MODEL 6 1 1H MET 1 1H MET 1 5.141 -14.712 -0.861 2 HA MET 1 HA MET 1 5.825 -16.085 1.609 3 1HB MET 1 1HB MET 1 5.601 -17.376 -0.473 4 2HB MET 1 2HB MET 1 6.903 -16.440 -1.194 5 1HG MET 1 1HG MET 1 8.080 -18.261 -0.546 6 2HG MET 1 2HG MET 1 8.217 -17.301 0.925 7 1HE MET 1 1HE MET 1 5.727 -21.095 0.294 8 2HE MET 1 2HE MET 1 5.878 -19.801 -0.894 9 3HE MET 1 3HE MET 1 7.288 -20.768 -0.459 10 H ALA 2 H ALA 2 7.902 -14.777 -0.970 11 HA ALA 2 HA ALA 2 10.060 -14.292 0.815 12 1HB ALA 2 1HB ALA 2 11.272 -13.626 -1.036 13 2HB ALA 2 2HB ALA 2 10.080 -14.714 -1.747 14 3HB ALA 2 3HB ALA 2 9.856 -12.968 -1.857 15 H ASP 3 H ASP 3 11.131 -12.061 0.859 16 HA ASP 3 HA ASP 3 9.525 -9.733 0.659 17 1HB ASP 3 1HB ASP 3 8.398 -10.616 2.614 18 2HB ASP 3 2HB ASP 3 9.938 -10.871 3.431 19 H GLU 4 H GLU 4 10.833 -8.021 0.478 20 HA GLU 4 HA GLU 4 13.613 -8.323 1.404 21 1HB GLU 4 1HB GLU 4 12.510 -6.733 -0.918 22 2HB GLU 4 2HB GLU 4 14.186 -6.686 -0.388 23 1HG GLU 4 1HG GLU 4 12.951 -9.309 -1.064 24 2HG GLU 4 2HG GLU 4 13.446 -8.225 -2.363 25 H LYS 5 H LYS 5 14.636 -5.938 1.449 26 HA LYS 5 HA LYS 5 12.804 -4.161 2.901 27 1HB LYS 5 1HB LYS 5 15.333 -5.390 3.891 28 2HB LYS 5 2HB LYS 5 14.980 -3.734 4.366 29 1HG LYS 5 1HG LYS 5 14.007 -4.841 6.094 30 2HG LYS 5 2HG LYS 5 12.637 -4.782 4.983 31 1HD LYS 5 1HD LYS 5 12.692 -7.005 5.710 32 2HD LYS 5 2HD LYS 5 13.478 -7.049 4.130 33 1HE LYS 5 1HE LYS 5 15.664 -7.023 5.205 34 2HE LYS 5 2HE LYS 5 14.899 -6.923 6.790 35 1HZ LYS 5 1HZ LYS 5 15.254 -9.149 6.659 36 2HZ LYS 5 2HZ LYS 5 15.120 -9.205 4.974 37 3HZ LYS 5 3HZ LYS 5 13.728 -9.094 5.929 38 HA PRO 6 HA PRO 6 15.365 -1.957 -0.310 39 1HB PRO 6 1HB PRO 6 13.264 -0.692 -1.474 40 2HB PRO 6 2HB PRO 6 13.796 -2.308 -1.952 41 1HG PRO 6 1HG PRO 6 11.542 -1.512 -0.151 42 2HG PRO 6 2HG PRO 6 11.578 -2.754 -1.415 43 1HD PRO 6 1HD PRO 6 11.824 -3.346 1.215 44 2HD PRO 6 2HD PRO 6 12.631 -4.288 -0.055 45 H LYS 7 H LYS 7 15.727 0.323 -0.500 46 HA LYS 7 HA LYS 7 14.399 1.993 1.516 47 1HB LYS 7 1HB LYS 7 16.611 2.979 2.107 48 2HB LYS 7 2HB LYS 7 16.442 1.293 2.577 49 1HG LYS 7 1HG LYS 7 17.671 1.878 -0.058 50 2HG LYS 7 2HG LYS 7 18.618 2.209 1.395 51 1HD LYS 7 1HD LYS 7 17.942 -0.178 2.105 52 2HD LYS 7 2HD LYS 7 17.526 -0.403 0.405 53 1HE LYS 7 1HE LYS 7 20.212 0.600 1.320 54 2HE LYS 7 2HE LYS 7 19.856 -1.111 1.091 55 1HZ LYS 7 1HZ LYS 7 19.026 0.318 -1.184 56 2HZ LYS 7 2HZ LYS 7 20.213 -0.881 -1.067 57 3HZ LYS 7 3HZ LYS 7 20.627 0.742 -0.835 58 H GLU 8 H GLU 8 13.970 1.893 -1.295 59 HA GLU 8 HA GLU 8 15.079 4.495 -2.124 60 1HB GLU 8 1HB GLU 8 14.164 2.198 -3.865 61 2HB GLU 8 2HB GLU 8 14.736 3.753 -4.453 62 1HG GLU 8 1HG GLU 8 16.492 2.161 -2.655 63 2HG GLU 8 2HG GLU 8 16.327 1.679 -4.343 64 H GLY 9 H GLY 9 13.670 5.838 -3.455 65 1HA GLY 9 2HA GLY 9 11.210 5.801 -4.274 66 2HA GLY 9 3HA GLY 9 10.881 5.591 -2.560 67 H VAL 10 H VAL 10 11.567 7.810 -5.063 68 HA VAL 10 HA VAL 10 11.234 10.023 -3.186 69 HB VAL 10 HB VAL 10 13.041 11.306 -4.421 70 1HG1 VAL 10 1HG1 VAL 10 13.208 10.269 -2.111 71 2HG1 VAL 10 2HG1 VAL 10 14.108 8.957 -2.877 72 3HG1 VAL 10 3HG1 VAL 10 14.731 10.607 -2.935 73 1HG2 VAL 10 1HG2 VAL 10 13.256 9.794 -6.330 74 2HG2 VAL 10 2HG2 VAL 10 14.799 9.996 -5.499 75 3HG2 VAL 10 3HG2 VAL 10 13.855 8.525 -5.262 76 H LYS 11 H LYS 11 10.836 12.105 -4.345 77 HA LYS 11 HA LYS 11 9.606 11.673 -6.984 78 1HB LYS 11 1HB LYS 11 8.427 13.427 -4.827 79 2HB LYS 11 2HB LYS 11 7.705 13.009 -6.375 80 1HG LYS 11 1HG LYS 11 8.276 11.055 -4.156 81 2HG LYS 11 2HG LYS 11 6.706 11.792 -4.486 82 1HD LYS 11 1HD LYS 11 8.197 10.248 -6.587 83 2HD LYS 11 2HD LYS 11 7.145 9.445 -5.418 84 1HE LYS 11 1HE LYS 11 5.637 9.805 -7.090 85 2HE LYS 11 2HE LYS 11 5.452 11.320 -6.208 86 1HZ LYS 11 1HZ LYS 11 6.137 11.004 -8.865 87 2HZ LYS 11 2HZ LYS 11 7.550 11.528 -8.097 88 3HZ LYS 11 3HZ LYS 11 6.132 12.443 -7.976 89 H THR 12 H THR 12 9.346 13.640 -8.258 90 HA THR 12 HA THR 12 10.847 15.981 -7.446 91 HB THR 12 HB THR 12 12.665 14.662 -8.318 92 HG1 THR 12 1HG THR 12 13.163 16.021 -10.217 93 1HG2 THR 12 1HG2 THR 12 12.337 13.117 -9.887 94 2HG2 THR 12 2HG2 THR 12 12.001 14.386 -11.064 95 3HG2 THR 12 3HG2 THR 12 10.686 13.689 -10.118 96 H GLU 13 H GLU 13 8.301 16.192 -7.763 97 HA GLU 13 HA GLU 13 7.967 17.481 -10.377 98 1HB GLU 13 1HB GLU 13 6.222 15.384 -9.151 99 2HB GLU 13 2HB GLU 13 5.485 16.640 -10.135 100 1HG GLU 13 1HG GLU 13 7.086 16.017 -11.959 101 2HG GLU 13 2HG GLU 13 7.559 14.635 -10.974 102 H ASN 14 H ASN 14 5.822 18.803 -10.331 103 HA ASN 14 HA ASN 14 5.993 20.521 -7.996 104 1HB ASN 14 1HB ASN 14 4.407 20.821 -10.557 105 2HB ASN 14 2HB ASN 14 4.546 22.044 -9.297 106 1HD2 ASN 14 1HD2 ASN 14 7.096 22.139 -8.650 107 2HD2 ASN 14 2HD2 ASN 14 8.090 22.526 -10.010 108 H ASN 15 H ASN 15 5.003 18.282 -7.048 109 HA ASN 15 HA ASN 15 2.248 18.976 -6.417 110 1HB ASN 15 1HB ASN 15 1.486 16.628 -6.756 111 2HB ASN 15 2HB ASN 15 1.941 17.433 -8.255 112 1HD2 ASN 15 1HD2 ASN 15 1.878 14.935 -8.634 113 2HD2 ASN 15 2HD2 ASN 15 3.422 14.164 -8.557 114 H ASP 16 H ASP 16 1.452 17.085 -4.794 115 HA ASP 16 HA ASP 16 3.221 17.312 -2.547 116 1HB ASP 16 1HB ASP 16 0.510 16.080 -2.969 117 2HB ASP 16 2HB ASP 16 1.392 15.840 -1.463 118 H HIS 17 H HIS 17 3.581 15.305 -1.143 119 HA HIS 17 HA HIS 17 3.869 12.795 -2.504 120 1HB HIS 17 1HB HIS 17 6.388 12.734 -2.086 121 2HB HIS 17 2HB HIS 17 5.836 13.709 -3.444 122 HD1 HIS 17 1HD HIS 17 7.691 13.900 -0.278 123 HD2 HIS 17 2HD HIS 17 5.934 16.546 -2.956 124 HE1 HIS 17 1HE HIS 17 8.641 16.158 0.288 125 H ILE 18 H ILE 18 2.828 11.783 -0.857 126 HA ILE 18 HA ILE 18 3.763 12.179 1.883 127 HB ILE 18 HB ILE 18 1.812 11.068 2.623 128 1HG1 ILE 18 1HG1 ILE 18 1.370 10.214 -0.247 129 2HG1 ILE 18 2HG1 ILE 18 1.880 9.168 1.074 130 1HG2 ILE 18 1HG2 ILE 18 1.539 13.367 1.649 131 2HG2 ILE 18 2HG2 ILE 18 0.912 12.597 0.192 132 3HG2 ILE 18 3HG2 ILE 18 0.063 12.405 1.726 133 1HD1 ILE 18 1HD1 ILE 18 -0.778 10.515 0.714 134 2HD1 ILE 18 2HD1 ILE 18 -0.424 8.787 0.731 135 3HD1 ILE 18 3HD1 ILE 18 -0.281 9.732 2.214 136 H ASN 19 H ASN 19 3.426 9.882 3.136 137 HA ASN 19 HA ASN 19 5.007 7.875 1.677 138 1HB ASN 19 1HB ASN 19 6.155 9.417 3.555 139 2HB ASN 19 2HB ASN 19 5.495 8.156 4.593 140 1HD2 ASN 19 1HD2 ASN 19 6.143 5.976 4.210 141 2HD2 ASN 19 2HD2 ASN 19 7.668 5.639 3.470 142 H LEU 20 H LEU 20 4.467 5.766 2.030 143 HA LEU 20 HA LEU 20 2.544 5.125 4.134 144 1HB LEU 20 1HB LEU 20 2.058 4.976 1.207 145 2HB LEU 20 2HB LEU 20 1.416 3.682 2.217 146 HG LEU 20 HG LEU 20 0.776 6.619 2.486 147 1HD1 LEU 20 1HD1 LEU 20 -0.139 5.130 0.522 148 2HD1 LEU 20 2HD1 LEU 20 -1.194 6.247 1.388 149 3HD1 LEU 20 3HD1 LEU 20 -1.218 4.528 1.780 150 1HD2 LEU 20 1HD2 LEU 20 -1.020 4.848 3.838 151 2HD2 LEU 20 2HD2 LEU 20 -0.060 6.175 4.493 152 3HD2 LEU 20 3HD2 LEU 20 0.629 4.554 4.390 153 H LYS 21 H LYS 21 2.336 2.824 4.526 154 HA LYS 21 HA LYS 21 4.463 1.170 3.371 155 1HB LYS 21 1HB LYS 21 3.936 1.394 6.340 156 2HB LYS 21 2HB LYS 21 5.122 0.347 5.572 157 1HG LYS 21 1HG LYS 21 6.193 2.452 4.665 158 2HG LYS 21 2HG LYS 21 5.144 3.343 5.770 159 1HD LYS 21 1HD LYS 21 6.080 2.011 7.646 160 2HD LYS 21 2HD LYS 21 7.201 1.261 6.507 161 1HE LYS 21 1HE LYS 21 8.453 3.158 6.280 162 2HE LYS 21 2HE LYS 21 7.088 4.228 6.596 163 1HZ LYS 21 1HZ LYS 21 7.603 4.318 8.739 164 2HZ LYS 21 2HZ LYS 21 9.065 3.556 8.361 165 3HZ LYS 21 3HZ LYS 21 7.740 2.637 8.871 166 H VAL 22 H VAL 22 3.459 -0.510 2.494 167 HA VAL 22 HA VAL 22 0.975 -1.499 3.682 168 HB VAL 22 HB VAL 22 2.209 -2.456 1.107 169 1HG1 VAL 22 1HG1 VAL 22 -0.544 -2.465 0.902 170 2HG1 VAL 22 2HG1 VAL 22 0.480 -3.860 1.248 171 3HG1 VAL 22 3HG1 VAL 22 -0.252 -2.952 2.572 172 1HG2 VAL 22 1HG2 VAL 22 0.700 0.049 1.676 173 2HG2 VAL 22 2HG2 VAL 22 2.036 -0.234 0.559 174 3HG2 VAL 22 3HG2 VAL 22 0.413 -0.791 0.152 175 H ALA 23 H ALA 23 1.928 -2.543 5.496 176 HA ALA 23 HA ALA 23 3.497 -4.950 4.851 177 1HB ALA 23 1HB ALA 23 4.718 -3.546 6.335 178 2HB ALA 23 2HB ALA 23 3.320 -3.342 7.391 179 3HB ALA 23 3HB ALA 23 4.119 -4.910 7.280 180 H GLY 24 H GLY 24 2.545 -6.867 5.055 181 1HA GLY 24 2HA GLY 24 -0.161 -7.074 5.963 182 2HA GLY 24 3HA GLY 24 0.864 -8.400 5.434 183 H GLN 25 H GLN 25 -0.991 -7.912 7.810 184 HA GLN 25 HA GLN 25 0.501 -7.799 10.172 185 1HB GLN 25 1HB GLN 25 -1.864 -7.528 10.295 186 2HB GLN 25 2HB GLN 25 -2.150 -9.088 9.537 187 1HG GLN 25 1HG GLN 25 -1.535 -10.266 11.460 188 2HG GLN 25 2HG GLN 25 -0.749 -8.859 12.175 189 1HE2 GLN 25 1HE2 GLN 25 -3.165 -10.771 12.742 190 2HE2 GLN 25 2HE2 GLN 25 -4.366 -9.677 13.329 191 H ASP 26 H ASP 26 0.212 -10.285 7.839 192 HA ASP 26 HA ASP 26 0.907 -12.456 9.599 193 1HB ASP 26 1HB ASP 26 0.529 -12.156 6.641 194 2HB ASP 26 2HB ASP 26 1.336 -13.588 7.274 195 H GLY 27 H GLY 27 2.605 -11.370 6.662 196 1HA GLY 27 2HA GLY 27 5.070 -10.918 8.062 197 2HA GLY 27 3HA GLY 27 5.065 -12.444 7.191 198 H SER 28 H SER 28 3.864 -9.167 6.459 199 HA SER 28 HA SER 28 5.587 -9.158 4.078 200 1HB SER 28 1HB SER 28 3.545 -9.679 3.071 201 2HB SER 28 2HB SER 28 2.621 -8.705 4.215 202 HG SER 28 HG SER 28 2.859 -7.767 2.085 203 H VAL 29 H VAL 29 6.281 -7.122 3.377 204 HA VAL 29 HA VAL 29 5.474 -4.758 4.859 205 HB VAL 29 HB VAL 29 8.324 -5.758 4.925 206 1HG1 VAL 29 1HG1 VAL 29 7.113 -3.110 5.652 207 2HG1 VAL 29 2HG1 VAL 29 8.619 -3.673 6.378 208 3HG1 VAL 29 3HG1 VAL 29 8.513 -3.442 4.632 209 1HG2 VAL 29 1HG2 VAL 29 6.253 -5.352 7.074 210 2HG2 VAL 29 2HG2 VAL 29 7.017 -6.866 6.588 211 3HG2 VAL 29 3HG2 VAL 29 7.965 -5.620 7.400 212 H VAL 30 H VAL 30 5.186 -3.237 3.381 213 HA VAL 30 HA VAL 30 7.120 -3.008 1.179 214 HB VAL 30 HB VAL 30 4.161 -2.603 0.772 215 1HG1 VAL 30 1HG1 VAL 30 5.098 -3.087 -1.655 216 2HG1 VAL 30 2HG1 VAL 30 5.150 -1.471 -0.946 217 3HG1 VAL 30 3HG1 VAL 30 6.591 -2.488 -0.933 218 1HG2 VAL 30 1HG2 VAL 30 4.460 -4.928 1.310 219 2HG2 VAL 30 2HG2 VAL 30 4.199 -4.778 -0.427 220 3HG2 VAL 30 3HG2 VAL 30 5.824 -5.052 0.200 221 H GLN 31 H GLN 31 7.301 -0.895 0.265 222 HA GLN 31 HA GLN 31 6.041 1.274 1.777 223 1HB GLN 31 1HB GLN 31 8.386 2.411 1.645 224 2HB GLN 31 2HB GLN 31 8.044 1.266 2.935 225 1HG GLN 31 1HG GLN 31 9.162 0.072 0.503 226 2HG GLN 31 2HG GLN 31 10.231 1.198 1.338 227 1HE2 GLN 31 1HE2 GLN 31 9.073 -1.941 1.216 228 2HE2 GLN 31 2HE2 GLN 31 9.678 -2.501 2.734 229 H PHE 32 H PHE 32 5.799 3.204 0.649 230 HA PHE 32 HA PHE 32 6.843 3.417 -2.052 231 1HB PHE 32 1HB PHE 32 4.129 2.568 -1.492 232 2HB PHE 32 2HB PHE 32 4.147 4.075 -2.403 233 HD1 PHE 32 1HD PHE 32 5.071 4.162 -4.646 234 HD2 PHE 32 2HD PHE 32 4.936 0.517 -2.453 235 HE1 PHE 32 1HE PHE 32 5.494 2.904 -6.718 236 HE2 PHE 32 2HE PHE 32 5.360 -0.747 -4.521 237 HZ PHE 32 HZ PHE 32 5.640 0.446 -6.657 238 H LYS 33 H LYS 33 6.118 5.538 -3.065 239 HA LYS 33 HA LYS 33 5.433 7.606 -1.130 240 1HB LYS 33 1HB LYS 33 7.882 7.452 -1.008 241 2HB LYS 33 2HB LYS 33 7.987 7.681 -2.748 242 1HG LYS 33 1HG LYS 33 8.322 9.826 -2.194 243 2HG LYS 33 2HG LYS 33 6.563 9.867 -2.052 244 1HD LYS 33 1HD LYS 33 7.060 10.708 -0.006 245 2HD LYS 33 2HD LYS 33 7.177 8.996 0.406 246 1HE LYS 33 1HE LYS 33 9.532 9.023 0.271 247 2HE LYS 33 2HE LYS 33 9.544 10.584 -0.548 248 1HZ LYS 33 1HZ LYS 33 9.455 9.995 2.259 249 2HZ LYS 33 2HZ LYS 33 8.271 11.108 1.790 250 3HZ LYS 33 3HZ LYS 33 9.902 11.423 1.469 251 H ILE 34 H ILE 34 3.924 8.828 -2.032 252 HA ILE 34 HA ILE 34 4.215 9.858 -4.700 253 HB ILE 34 HB ILE 34 3.135 7.510 -4.890 254 1HG1 ILE 34 1HG1 ILE 34 1.493 9.689 -6.142 255 2HG1 ILE 34 2HG1 ILE 34 3.192 9.507 -6.566 256 1HG2 ILE 34 1HG2 ILE 34 0.904 7.234 -4.346 257 2HG2 ILE 34 2HG2 ILE 34 1.509 8.175 -2.984 258 3HG2 ILE 34 3HG2 ILE 34 0.601 8.970 -4.270 259 1HD1 ILE 34 1HD1 ILE 34 2.723 7.852 -7.953 260 2HD1 ILE 34 2HD1 ILE 34 1.850 6.973 -6.697 261 3HD1 ILE 34 3HD1 ILE 34 1.012 8.178 -7.675 262 H LYS 35 H LYS 35 2.369 11.310 -5.279 263 HA LYS 35 HA LYS 35 1.893 13.193 -3.309 264 1HB LYS 35 1HB LYS 35 0.069 14.026 -4.828 265 2HB LYS 35 2HB LYS 35 1.636 13.813 -5.598 266 1HG LYS 35 1HG LYS 35 0.355 11.376 -5.953 267 2HG LYS 35 2HG LYS 35 -0.904 12.587 -6.210 268 1HD LYS 35 1HD LYS 35 0.579 13.741 -7.813 269 2HD LYS 35 2HD LYS 35 1.779 12.466 -7.589 270 1HE LYS 35 1HE LYS 35 -0.882 11.457 -8.236 271 2HE LYS 35 2HE LYS 35 -0.208 12.497 -9.489 272 1HZ LYS 35 1HZ LYS 35 0.368 10.155 -9.807 273 2HZ LYS 35 2HZ LYS 35 1.164 10.138 -8.315 274 3HZ LYS 35 3HZ LYS 35 1.746 11.109 -9.572 275 H ARG 36 H ARG 36 -0.416 13.918 -2.673 276 HA ARG 36 HA ARG 36 -1.633 11.666 -1.286 277 1HB ARG 36 1HB ARG 36 -2.861 13.382 -0.025 278 2HB ARG 36 2HB ARG 36 -1.126 13.664 0.013 279 1HG ARG 36 1HG ARG 36 -1.743 15.774 -0.453 280 2HG ARG 36 2HG ARG 36 -1.785 15.169 -2.110 281 1HD ARG 36 1HD ARG 36 -3.894 15.905 -2.155 282 2HD ARG 36 2HD ARG 36 -4.271 14.502 -1.156 283 HE ARG 36 HE ARG 36 -3.542 16.365 0.659 284 1HH1 ARG 36 2HH1 ARG 36 -5.811 16.368 -1.982 285 2HH1 ARG 36 1HH1 ARG 36 -6.887 17.498 -1.228 286 1HH2 ARG 36 2HH2 ARG 36 -4.951 17.854 1.662 287 2HH2 ARG 36 1HH2 ARG 36 -6.396 18.343 0.844 288 H HIS 37 H HIS 37 -2.022 13.078 -4.215 289 HA HIS 37 HA HIS 37 -4.924 12.563 -4.249 290 1HB HIS 37 1HB HIS 37 -4.885 14.066 -6.319 291 2HB HIS 37 2HB HIS 37 -4.658 14.853 -4.760 292 HD1 HIS 37 1HD HIS 37 -2.440 16.023 -4.345 293 HD2 HIS 37 2HD HIS 37 -2.551 13.943 -7.940 294 HE1 HIS 37 1HE HIS 37 -0.382 16.740 -5.599 295 H THR 38 H THR 38 -3.050 10.490 -4.518 296 HA THR 38 HA THR 38 -3.064 9.880 -7.390 297 HB THR 38 HB THR 38 -1.378 8.980 -5.108 298 HG1 THR 38 1HG THR 38 -0.858 9.471 -7.870 299 1HG2 THR 38 1HG2 THR 38 -2.141 7.259 -7.452 300 2HG2 THR 38 2HG2 THR 38 -2.108 6.837 -5.740 301 3HG2 THR 38 3HG2 THR 38 -0.598 7.067 -6.621 302 HA PRO 39 HA PRO 39 -6.443 7.093 -6.809 303 1HB PRO 39 1HB PRO 39 -6.192 5.721 -9.138 304 2HB PRO 39 2HB PRO 39 -6.841 7.363 -9.056 305 1HG PRO 39 1HG PRO 39 -4.086 6.451 -9.787 306 2HG PRO 39 2HG PRO 39 -5.093 7.694 -10.553 307 1HD PRO 39 1HD PRO 39 -3.089 8.297 -8.834 308 2HD PRO 39 2HD PRO 39 -4.562 9.279 -8.966 309 H LEU 40 H LEU 40 -6.334 5.459 -5.407 310 HA LEU 40 HA LEU 40 -4.171 3.824 -4.895 311 1HB LEU 40 1HB LEU 40 -7.106 3.543 -4.415 312 2HB LEU 40 2HB LEU 40 -6.026 2.204 -4.031 313 HG LEU 40 HG LEU 40 -5.823 4.982 -2.870 314 1HD1 LEU 40 1HD1 LEU 40 -6.730 2.476 -1.480 315 2HD1 LEU 40 2HD1 LEU 40 -7.849 3.628 -2.207 316 3HD1 LEU 40 3HD1 LEU 40 -6.792 4.137 -0.891 317 1HD2 LEU 40 1HD2 LEU 40 -4.030 2.721 -2.923 318 2HD2 LEU 40 2HD2 LEU 40 -4.498 3.125 -1.271 319 3HD2 LEU 40 3HD2 LEU 40 -3.767 4.352 -2.307 320 H SER 41 H SER 41 -6.477 3.625 -7.450 321 HA SER 41 HA SER 41 -6.526 0.977 -8.144 322 1HB SER 41 1HB SER 41 -7.531 3.117 -9.311 323 2HB SER 41 2HB SER 41 -6.090 2.988 -10.319 324 HG SER 41 HG SER 41 -8.187 1.781 -10.865 325 H LYS 42 H LYS 42 -4.149 3.334 -9.382 326 HA LYS 42 HA LYS 42 -2.511 1.593 -10.753 327 1HB LYS 42 1HB LYS 42 -0.889 3.280 -10.762 328 2HB LYS 42 2HB LYS 42 -2.402 4.158 -10.574 329 1HG LYS 42 1HG LYS 42 -2.006 4.381 -8.192 330 2HG LYS 42 2HG LYS 42 -0.521 3.437 -8.334 331 1HD LYS 42 1HD LYS 42 -0.071 5.849 -8.240 332 2HD LYS 42 2HD LYS 42 0.449 5.142 -9.772 333 1HE LYS 42 1HE LYS 42 -1.553 5.970 -10.863 334 2HE LYS 42 2HE LYS 42 -2.155 6.602 -9.331 335 1HZ LYS 42 1HZ LYS 42 -0.310 8.134 -9.253 336 2HZ LYS 42 2HZ LYS 42 -1.144 8.326 -10.712 337 3HZ LYS 42 3HZ LYS 42 0.332 7.500 -10.684 338 H LEU 43 H LEU 43 -2.754 2.123 -7.317 339 HA LEU 43 HA LEU 43 -0.313 0.797 -6.634 340 1HB LEU 43 1HB LEU 43 -1.870 2.473 -5.291 341 2HB LEU 43 2HB LEU 43 -2.568 0.963 -4.706 342 HG LEU 43 HG LEU 43 -0.962 1.685 -3.107 343 1HD1 LEU 43 1HD1 LEU 43 0.477 -0.197 -2.987 344 2HD1 LEU 43 2HD1 LEU 43 0.418 -0.439 -4.733 345 3HD1 LEU 43 3HD1 LEU 43 -1.015 -0.743 -3.752 346 1HD2 LEU 43 1HD2 LEU 43 1.379 1.583 -4.882 347 2HD2 LEU 43 2HD2 LEU 43 1.003 2.683 -3.556 348 3HD2 LEU 43 3HD2 LEU 43 0.293 2.947 -5.149 349 H MET 44 H MET 44 -3.707 -0.137 -6.032 350 HA MET 44 HA MET 44 -3.233 -2.762 -5.296 351 1HB MET 44 1HB MET 44 -5.592 -3.189 -6.039 352 2HB MET 44 2HB MET 44 -5.403 -1.817 -4.956 353 1HG MET 44 1HG MET 44 -5.395 -0.343 -6.982 354 2HG MET 44 2HG MET 44 -5.836 -1.762 -7.928 355 1HE MET 44 1HE MET 44 -8.339 -1.720 -8.713 356 2HE MET 44 2HE MET 44 -7.953 -3.097 -7.681 357 3HE MET 44 3HE MET 44 -9.473 -2.229 -7.462 358 H LYS 45 H LYS 45 -3.908 -1.470 -8.536 359 HA LYS 45 HA LYS 45 -3.985 -3.810 -9.985 360 1HB LYS 45 1HB LYS 45 -4.378 -1.470 -10.839 361 2HB LYS 45 2HB LYS 45 -2.632 -1.279 -10.925 362 1HG LYS 45 1HG LYS 45 -3.242 -1.847 -13.092 363 2HG LYS 45 2HG LYS 45 -2.667 -3.368 -12.406 364 1HD LYS 45 1HD LYS 45 -4.776 -4.277 -12.309 365 2HD LYS 45 2HD LYS 45 -5.566 -2.703 -12.196 366 1HE LYS 45 1HE LYS 45 -4.896 -2.297 -14.574 367 2HE LYS 45 2HE LYS 45 -4.337 -3.967 -14.641 368 1HZ LYS 45 1HZ LYS 45 -7.114 -3.178 -13.954 369 2HZ LYS 45 2HZ LYS 45 -6.540 -4.743 -14.239 370 3HZ LYS 45 3HZ LYS 45 -6.617 -3.627 -15.507 371 H ALA 46 H ALA 46 -1.091 -1.819 -9.364 372 HA ALA 46 HA ALA 46 0.756 -3.553 -10.555 373 1HB ALA 46 1HB ALA 46 1.348 -1.275 -10.061 374 2HB ALA 46 2HB ALA 46 1.139 -1.553 -8.332 375 3HB ALA 46 3HB ALA 46 2.450 -2.351 -9.202 376 H TYR 47 H TYR 47 -0.600 -3.476 -7.313 377 HA TYR 47 HA TYR 47 1.122 -5.126 -5.940 378 1HB TYR 47 1HB TYR 47 -1.214 -3.958 -5.319 379 2HB TYR 47 2HB TYR 47 -1.777 -5.614 -5.516 380 HD1 TYR 47 1HD TYR 47 -1.330 -3.600 -3.013 381 HD2 TYR 47 2HD TYR 47 0.560 -7.118 -4.481 382 HE1 TYR 47 1HE TYR 47 -0.557 -4.127 -0.739 383 HE2 TYR 47 2HE TYR 47 1.337 -7.655 -2.211 384 HH TYR 47 HH TYR 47 1.735 -5.827 0.077 385 H CYS 48 H CYS 48 -1.893 -6.267 -7.472 386 HA CYS 48 HA CYS 48 -1.447 -8.973 -7.253 387 1HB CYS 48 1HB CYS 48 -3.461 -7.556 -8.244 388 2HB CYS 48 2HB CYS 48 -2.695 -7.972 -9.771 389 HG CYS 48 HG CYS 48 -4.620 -9.845 -9.600 390 H GLU 49 H GLU 49 -0.416 -6.804 -9.861 391 HA GLU 49 HA GLU 49 0.637 -8.620 -11.640 392 1HB GLU 49 1HB GLU 49 0.485 -6.063 -11.819 393 2HB GLU 49 2HB GLU 49 2.037 -6.035 -10.993 394 1HG GLU 49 1HG GLU 49 2.243 -5.866 -13.435 395 2HG GLU 49 2HG GLU 49 3.069 -7.275 -12.771 396 H ARG 50 H ARG 50 1.982 -7.489 -8.610 397 HA ARG 50 HA ARG 50 4.550 -8.721 -9.048 398 1HB ARG 50 1HB ARG 50 4.362 -6.701 -7.677 399 2HB ARG 50 2HB ARG 50 3.321 -7.554 -6.545 400 1HG ARG 50 1HG ARG 50 5.312 -9.175 -6.287 401 2HG ARG 50 2HG ARG 50 6.255 -7.873 -7.016 402 1HD ARG 50 1HD ARG 50 4.468 -7.431 -4.640 403 2HD ARG 50 2HD ARG 50 6.145 -7.948 -4.472 404 HE ARG 50 HE ARG 50 5.212 -5.324 -5.108 405 1HH1 ARG 50 2HH1 ARG 50 7.835 -7.568 -5.559 406 2HH1 ARG 50 1HH1 ARG 50 9.020 -6.332 -5.823 407 1HH2 ARG 50 2HH2 ARG 50 6.762 -3.687 -5.455 408 2HH2 ARG 50 1HH2 ARG 50 8.409 -4.124 -5.763 409 H GLN 51 H GLN 51 2.299 -9.202 -6.334 410 HA GLN 51 HA GLN 51 2.791 -12.098 -6.563 411 1HB GLN 51 1HB GLN 51 2.381 -12.103 -4.038 412 2HB GLN 51 2HB GLN 51 3.917 -11.457 -4.602 413 1HG GLN 51 1HG GLN 51 3.116 -9.199 -4.320 414 2HG GLN 51 2HG GLN 51 1.520 -9.794 -3.864 415 1HE2 GLN 51 1HE2 GLN 51 4.784 -10.799 -2.921 416 2HE2 GLN 51 2HE2 GLN 51 4.549 -10.576 -1.224 417 H GLY 52 H GLY 52 0.823 -11.811 -7.996 418 1HA GLY 52 2HA GLY 52 -1.684 -11.357 -6.609 419 2HA GLY 52 3HA GLY 52 -1.486 -11.745 -8.312 420 H LEU 53 H LEU 53 -1.113 -13.216 -5.092 421 HA LEU 53 HA LEU 53 -1.597 -15.854 -6.219 422 1HB LEU 53 1HB LEU 53 -1.217 -15.153 -3.320 423 2HB LEU 53 2HB LEU 53 -1.004 -16.723 -4.092 424 HG LEU 53 HG LEU 53 0.778 -14.306 -4.361 425 1HD1 LEU 53 1HD1 LEU 53 0.714 -16.455 -2.526 426 2HD1 LEU 53 2HD1 LEU 53 1.935 -15.195 -2.696 427 3HD1 LEU 53 3HD1 LEU 53 2.098 -16.706 -3.590 428 1HD2 LEU 53 1HD2 LEU 53 2.202 -15.844 -5.727 429 2HD2 LEU 53 2HD2 LEU 53 0.702 -15.343 -6.507 430 3HD2 LEU 53 3HD2 LEU 53 0.833 -16.953 -5.798 431 H SER 54 H SER 54 -3.281 -13.364 -4.514 432 HA SER 54 HA SER 54 -5.747 -14.882 -4.715 433 1HB SER 54 1HB SER 54 -6.316 -14.252 -2.296 434 2HB SER 54 2HB SER 54 -5.173 -15.575 -2.526 435 HG SER 54 HG SER 54 -4.257 -12.930 -2.222 436 H MET 55 H MET 55 -6.075 -13.210 -6.315 437 HA MET 55 HA MET 55 -6.076 -10.467 -5.776 438 1HB MET 55 1HB MET 55 -6.170 -11.225 -8.046 439 2HB MET 55 2HB MET 55 -7.667 -12.101 -7.753 440 1HG MET 55 1HG MET 55 -8.844 -9.999 -7.409 441 2HG MET 55 2HG MET 55 -7.345 -9.110 -7.671 442 1HE MET 55 1HE MET 55 -8.338 -7.646 -9.243 443 2HE MET 55 2HE MET 55 -8.698 -7.995 -10.934 444 3HE MET 55 3HE MET 55 -9.913 -8.301 -9.692 445 H ARG 56 H ARG 56 -8.289 -12.942 -4.862 446 HA ARG 56 HA ARG 56 -10.427 -11.062 -4.257 447 1HB ARG 56 1HB ARG 56 -10.190 -14.059 -4.004 448 2HB ARG 56 2HB ARG 56 -11.581 -13.160 -3.415 449 1HG ARG 56 1HG ARG 56 -12.186 -12.479 -5.595 450 2HG ARG 56 2HG ARG 56 -10.646 -13.023 -6.265 451 1HD ARG 56 1HD ARG 56 -12.620 -14.526 -6.703 452 2HD ARG 56 2HD ARG 56 -11.217 -15.301 -5.968 453 HE ARG 56 HE ARG 56 -13.179 -14.388 -4.071 454 1HH1 ARG 56 2HH1 ARG 56 -12.180 -17.002 -6.141 455 2HH1 ARG 56 1HH1 ARG 56 -13.009 -18.217 -5.225 456 1HH2 ARG 56 2HH2 ARG 56 -14.274 -15.978 -2.857 457 2HH2 ARG 56 1HH2 ARG 56 -14.200 -17.633 -3.358 458 H GLN 57 H GLN 57 -7.653 -11.483 -2.843 459 HA GLN 57 HA GLN 57 -8.770 -11.327 -0.125 460 1HB GLN 57 1HB GLN 57 -6.238 -12.725 -0.995 461 2HB GLN 57 2HB GLN 57 -6.647 -12.391 0.682 462 1HG GLN 57 1HG GLN 57 -8.343 -14.038 -1.178 463 2HG GLN 57 2HG GLN 57 -7.157 -14.703 -0.056 464 1HE2 GLN 57 1HE2 GLN 57 -9.392 -15.753 0.434 465 2HE2 GLN 57 2HE2 GLN 57 -10.264 -15.021 1.733 466 H ILE 58 H ILE 58 -6.158 -10.414 -2.317 467 HA ILE 58 HA ILE 58 -4.787 -8.663 -0.617 468 HB ILE 58 HB ILE 58 -5.085 -8.495 -3.618 469 1HG1 ILE 58 1HG1 ILE 58 -4.169 -10.645 -2.806 470 2HG1 ILE 58 2HG1 ILE 58 -2.977 -9.712 -3.704 471 1HG2 ILE 58 1HG2 ILE 58 -4.206 -6.440 -3.124 472 2HG2 ILE 58 2HG2 ILE 58 -3.418 -7.009 -1.653 473 3HG2 ILE 58 3HG2 ILE 58 -2.727 -7.394 -3.229 474 1HD1 ILE 58 1HD1 ILE 58 -1.590 -9.903 -1.998 475 2HD1 ILE 58 2HD1 ILE 58 -2.719 -8.997 -0.990 476 3HD1 ILE 58 3HD1 ILE 58 -2.820 -10.756 -1.066 477 H ARG 59 H ARG 59 -5.464 -6.866 0.327 478 HA ARG 59 HA ARG 59 -6.949 -4.879 -1.143 479 1HB ARG 59 1HB ARG 59 -8.220 -6.574 0.942 480 2HB ARG 59 2HB ARG 59 -8.594 -4.856 0.967 481 1HG ARG 59 1HG ARG 59 -9.163 -5.122 -1.507 482 2HG ARG 59 2HG ARG 59 -9.145 -6.859 -1.193 483 1HD ARG 59 1HD ARG 59 -10.891 -6.652 0.428 484 2HD ARG 59 2HD ARG 59 -10.809 -4.891 0.366 485 HE ARG 59 HE ARG 59 -11.401 -5.994 -2.186 486 1HH1 ARG 59 2HH1 ARG 59 -12.805 -5.237 0.908 487 2HH1 ARG 59 1HH1 ARG 59 -14.408 -5.047 0.280 488 1HH2 ARG 59 2HH2 ARG 59 -13.508 -5.746 -3.025 489 2HH2 ARG 59 1HH2 ARG 59 -14.807 -5.337 -1.957 490 H PHE 60 H PHE 60 -7.588 -3.051 0.559 491 HA PHE 60 HA PHE 60 -5.178 -2.609 2.193 492 1HB PHE 60 1HB PHE 60 -6.763 -0.845 0.414 493 2HB PHE 60 2HB PHE 60 -6.165 -0.117 1.901 494 HD1 PHE 60 1HD PHE 60 -3.618 -0.608 2.402 495 HD2 PHE 60 2HD PHE 60 -5.425 -0.779 -1.447 496 HE1 PHE 60 1HE PHE 60 -1.414 -0.282 1.357 497 HE2 PHE 60 2HE PHE 60 -3.224 -0.454 -2.499 498 HZ PHE 60 HZ PHE 60 -1.215 -0.206 -1.096 499 H ARG 61 H ARG 61 -5.393 -2.277 4.319 500 HA ARG 61 HA ARG 61 -7.920 -1.362 5.426 501 1HB ARG 61 1HB ARG 61 -7.665 -4.020 5.241 502 2HB ARG 61 2HB ARG 61 -6.792 -3.773 6.748 503 1HG ARG 61 1HG ARG 61 -8.952 -4.189 7.456 504 2HG ARG 61 2HG ARG 61 -8.868 -2.427 7.471 505 1HD ARG 61 1HD ARG 61 -9.974 -2.337 5.308 506 2HD ARG 61 2HD ARG 61 -10.004 -4.098 5.232 507 HE ARG 61 HE ARG 61 -11.839 -2.421 6.611 508 1HH1 ARG 61 2HH1 ARG 61 -10.243 -5.511 6.764 509 2HH1 ARG 61 1HH1 ARG 61 -11.491 -6.255 7.707 510 1HH2 ARG 61 2HH2 ARG 61 -13.489 -3.389 7.854 511 2HH2 ARG 61 1HH2 ARG 61 -13.337 -5.048 8.326 512 H PHE 62 H PHE 62 -7.588 -0.023 7.086 513 HA PHE 62 HA PHE 62 -4.904 0.023 8.294 514 1HB PHE 62 1HB PHE 62 -5.565 2.055 7.012 515 2HB PHE 62 2HB PHE 62 -6.907 2.284 8.129 516 HD1 PHE 62 1HD PHE 62 -3.202 1.899 8.106 517 HD2 PHE 62 2HD PHE 62 -6.612 3.628 9.976 518 HE1 PHE 62 1HE PHE 62 -1.728 3.178 9.604 519 HE2 PHE 62 2HE PHE 62 -5.144 4.910 11.476 520 HZ PHE 62 HZ PHE 62 -2.698 4.687 11.291 521 H ASP 63 H ASP 63 -4.747 0.568 10.555 522 HA ASP 63 HA ASP 63 -6.716 -0.804 12.126 523 1HB ASP 63 1HB ASP 63 -4.120 -0.617 12.470 524 2HB ASP 63 2HB ASP 63 -4.538 0.856 13.340 525 H GLY 64 H GLY 64 -8.277 0.973 11.128 526 1HA GLY 64 2HA GLY 64 -9.175 2.525 13.328 527 2HA GLY 64 3HA GLY 64 -8.391 3.557 12.141 528 H GLN 65 H GLN 65 -9.237 1.969 9.860 529 HA GLN 65 HA GLN 65 -12.071 1.758 9.835 530 1HB GLN 65 1HB GLN 65 -10.844 4.343 9.130 531 2HB GLN 65 2HB GLN 65 -11.998 3.727 7.955 532 1HG GLN 65 1HG GLN 65 -13.460 3.356 10.124 533 2HG GLN 65 2HG GLN 65 -12.428 4.646 10.740 534 1HE2 GLN 65 1HE2 GLN 65 -12.143 6.456 8.997 535 2HE2 GLN 65 2HE2 GLN 65 -13.623 7.029 8.315 536 HA PRO 66 HA PRO 66 -11.261 -0.541 6.189 537 1HB PRO 66 1HB PRO 66 -13.495 -0.109 4.708 538 2HB PRO 66 2HB PRO 66 -13.487 -1.111 6.164 539 1HG PRO 66 1HG PRO 66 -14.347 1.737 5.830 540 2HG PRO 66 2HG PRO 66 -15.127 0.432 6.744 541 1HD PRO 66 1HD PRO 66 -13.608 2.335 7.929 542 2HD PRO 66 2HD PRO 66 -13.704 0.671 8.542 543 H ILE 67 H ILE 67 -11.308 -0.386 3.714 544 HA ILE 67 HA ILE 67 -10.902 2.329 2.719 545 HB ILE 67 HB ILE 67 -8.808 0.193 2.316 546 1HG1 ILE 67 1HG1 ILE 67 -8.734 2.633 4.105 547 2HG1 ILE 67 2HG1 ILE 67 -8.838 0.964 4.654 548 1HG2 ILE 67 1HG2 ILE 67 -8.208 3.032 1.835 549 2HG2 ILE 67 2HG2 ILE 67 -7.755 1.601 0.911 550 3HG2 ILE 67 3HG2 ILE 67 -9.363 2.301 0.721 551 1HD1 ILE 67 1HD1 ILE 67 -6.648 0.493 3.812 552 2HD1 ILE 67 2HD1 ILE 67 -6.548 2.087 3.062 553 3HD1 ILE 67 3HD1 ILE 67 -6.574 1.939 4.819 554 H ASN 68 H ASN 68 -11.696 2.580 0.726 555 HA ASN 68 HA ASN 68 -12.274 0.153 -0.844 556 1HB ASN 68 1HB ASN 68 -13.828 2.751 -0.810 557 2HB ASN 68 2HB ASN 68 -14.219 1.324 -1.765 558 1HD2 ASN 68 1HD2 ASN 68 -15.814 2.698 0.230 559 2HD2 ASN 68 2HD2 ASN 68 -16.181 1.528 1.448 560 H GLU 69 H GLU 69 -12.577 0.693 -3.243 561 HA GLU 69 HA GLU 69 -10.147 1.777 -4.214 562 1HB GLU 69 1HB GLU 69 -11.069 1.357 -6.440 563 2HB GLU 69 2HB GLU 69 -11.330 -0.021 -5.380 564 1HG GLU 69 1HG GLU 69 -13.490 1.999 -5.569 565 2HG GLU 69 2HG GLU 69 -13.228 0.937 -6.952 566 H THR 70 H THR 70 -13.229 3.144 -3.537 567 HA THR 70 HA THR 70 -12.670 5.530 -5.136 568 HB THR 70 HB THR 70 -14.950 4.535 -5.225 569 HG1 THR 70 1HG THR 70 -15.367 6.552 -5.692 570 1HG2 THR 70 1HG2 THR 70 -16.155 4.071 -3.398 571 2HG2 THR 70 2HG2 THR 70 -15.831 5.655 -2.692 572 3HG2 THR 70 3HG2 THR 70 -14.677 4.340 -2.475 573 H ASP 71 H ASP 71 -11.172 4.814 -2.682 574 HA ASP 71 HA ASP 71 -11.801 7.218 -1.096 575 1HB ASP 71 1HB ASP 71 -11.143 4.446 -0.255 576 2HB ASP 71 2HB ASP 71 -10.434 5.752 0.691 577 H THR 72 H THR 72 -10.257 8.708 -1.027 578 HA THR 72 HA THR 72 -7.611 8.032 -2.083 579 HB THR 72 HB THR 72 -7.316 10.575 -2.056 580 HG1 THR 72 1HG THR 72 -9.243 11.764 -1.937 581 1HG2 THR 72 1HG2 THR 72 -8.316 8.870 -3.948 582 2HG2 THR 72 2HG2 THR 72 -7.904 10.562 -4.227 583 3HG2 THR 72 3HG2 THR 72 -9.570 10.107 -3.870 584 HA PRO 73 HA PRO 73 -5.551 8.349 1.781 585 1HB PRO 73 1HB PRO 73 -3.192 9.472 1.043 586 2HB PRO 73 2HB PRO 73 -3.619 7.799 0.666 587 1HG PRO 73 1HG PRO 73 -3.774 10.231 -1.072 588 2HG PRO 73 2HG PRO 73 -3.199 8.602 -1.475 589 1HD PRO 73 1HD PRO 73 -5.667 9.486 -2.155 590 2HD PRO 73 2HD PRO 73 -5.334 7.785 -1.770 591 H ALA 74 H ALA 74 -6.435 11.113 0.019 592 HA ALA 74 HA ALA 74 -5.323 13.079 1.794 593 1HB ALA 74 1HB ALA 74 -6.163 14.653 0.369 594 2HB ALA 74 2HB ALA 74 -6.086 13.270 -0.724 595 3HB ALA 74 3HB ALA 74 -7.620 13.722 0.020 596 H GLN 75 H GLN 75 -8.406 11.426 1.436 597 HA GLN 75 HA GLN 75 -9.489 12.930 3.710 598 1HB GLN 75 1HB GLN 75 -10.791 11.202 1.611 599 2HB GLN 75 2HB GLN 75 -11.648 11.755 3.044 600 1HG GLN 75 1HG GLN 75 -10.389 13.517 0.953 601 2HG GLN 75 2HG GLN 75 -12.109 13.167 1.118 602 1HE2 GLN 75 1HE2 GLN 75 -12.987 13.660 3.362 603 2HE2 GLN 75 2HE2 GLN 75 -12.487 15.157 4.063 604 H LEU 76 H LEU 76 -7.521 10.554 3.614 605 HA LEU 76 HA LEU 76 -8.997 8.834 5.497 606 1HB LEU 76 1HB LEU 76 -7.145 8.233 3.295 607 2HB LEU 76 2HB LEU 76 -6.855 7.332 4.781 608 HG LEU 76 HG LEU 76 -8.281 6.161 3.095 609 1HD1 LEU 76 1HD1 LEU 76 -8.556 5.194 5.135 610 2HD1 LEU 76 2HD1 LEU 76 -10.193 5.801 4.891 611 3HD1 LEU 76 3HD1 LEU 76 -9.063 6.697 5.906 612 1HD2 LEU 76 1HD2 LEU 76 -10.599 7.820 3.894 613 2HD2 LEU 76 2HD2 LEU 76 -10.291 6.945 2.394 614 3HD2 LEU 76 3HD2 LEU 76 -9.503 8.496 2.689 615 H GLU 77 H GLU 77 -6.347 10.939 5.047 616 HA GLU 77 HA GLU 77 -4.739 11.726 6.451 617 1HB GLU 77 1HB GLU 77 -6.161 10.226 8.650 618 2HB GLU 77 2HB GLU 77 -5.106 11.622 8.817 619 1HG GLU 77 1HG GLU 77 -6.952 12.689 7.217 620 2HG GLU 77 2HG GLU 77 -7.944 11.471 8.015 621 H MET 78 H MET 78 -4.223 9.351 5.034 622 HA MET 78 HA MET 78 -2.657 7.744 6.929 623 1HB MET 78 1HB MET 78 -2.471 6.153 4.960 624 2HB MET 78 2HB MET 78 -4.075 6.341 5.656 625 1HG MET 78 1HG MET 78 -4.835 7.619 3.854 626 2HG MET 78 2HG MET 78 -3.200 7.944 3.283 627 1HE MET 78 1HE MET 78 -5.932 4.591 2.056 628 2HE MET 78 2HE MET 78 -6.062 5.363 3.637 629 3HE MET 78 3HE MET 78 -6.224 6.327 2.168 630 H GLU 79 H GLU 79 -1.110 9.566 7.015 631 HA GLU 79 HA GLU 79 0.902 9.250 4.912 632 1HB GLU 79 1HB GLU 79 0.484 11.994 5.995 633 2HB GLU 79 2HB GLU 79 1.116 11.490 4.434 634 1HG GLU 79 1HG GLU 79 -1.146 10.859 3.734 635 2HG GLU 79 2HG GLU 79 -1.769 11.405 5.289 636 H ASP 80 H ASP 80 2.768 11.041 5.828 637 HA ASP 80 HA ASP 80 4.456 11.284 7.334 638 1HB ASP 80 1HB ASP 80 2.640 10.429 9.562 639 2HB ASP 80 2HB ASP 80 3.908 11.651 9.568 640 H GLU 81 H GLU 81 4.386 8.889 6.005 641 HA GLU 81 HA GLU 81 5.321 6.814 6.024 642 1HB GLU 81 1HB GLU 81 6.240 7.436 8.831 643 2HB GLU 81 2HB GLU 81 6.943 6.282 7.706 644 1HG GLU 81 1HG GLU 81 7.650 8.102 6.257 645 2HG GLU 81 2HG GLU 81 6.917 9.271 7.354 646 H ASP 82 H ASP 82 2.667 6.855 6.539 647 HA ASP 82 HA ASP 82 1.936 5.500 8.934 648 1HB ASP 82 1HB ASP 82 0.600 6.560 6.593 649 2HB ASP 82 2HB ASP 82 -0.048 4.981 7.027 650 H THR 83 H THR 83 0.802 3.346 8.876 651 HA THR 83 HA THR 83 2.059 1.487 6.978 652 HB THR 83 HB THR 83 1.773 0.780 9.891 653 HG1 THR 83 1HG THR 83 3.281 2.295 10.119 654 1HG2 THR 83 1HG2 THR 83 2.665 -1.181 9.295 655 2HG2 THR 83 2HG2 THR 83 3.951 -0.396 8.379 656 3HG2 THR 83 3HG2 THR 83 2.388 -0.699 7.622 657 H ILE 84 H ILE 84 0.230 1.009 5.851 658 HA ILE 84 HA ILE 84 -2.216 0.321 7.268 659 HB ILE 84 HB ILE 84 -1.672 0.352 4.297 660 1HG1 ILE 84 1HG1 ILE 84 -2.976 2.413 6.088 661 2HG1 ILE 84 2HG1 ILE 84 -1.425 2.579 5.273 662 1HG2 ILE 84 1HG2 ILE 84 -4.264 0.204 5.831 663 2HG2 ILE 84 2HG2 ILE 84 -4.113 0.348 4.080 664 3HG2 ILE 84 3HG2 ILE 84 -3.528 -1.100 4.899 665 1HD1 ILE 84 1HD1 ILE 84 -3.164 2.000 3.220 666 2HD1 ILE 84 2HD1 ILE 84 -4.105 3.045 4.284 667 3HD1 ILE 84 3HD1 ILE 84 -2.552 3.595 3.656 668 H ASP 85 H ASP 85 -2.777 -1.686 7.777 669 HA ASP 85 HA ASP 85 -1.106 -3.904 7.105 670 1HB ASP 85 1HB ASP 85 -3.674 -3.600 8.639 671 2HB ASP 85 2HB ASP 85 -3.026 -5.195 8.269 672 H VAL 86 H VAL 86 -1.220 -5.175 5.382 673 HA VAL 86 HA VAL 86 -3.504 -4.932 3.584 674 HB VAL 86 HB VAL 86 -1.034 -4.850 2.846 675 1HG1 VAL 86 1HG1 VAL 86 -1.124 -7.764 2.467 676 2HG1 VAL 86 2HG1 VAL 86 0.238 -6.707 2.843 677 3HG1 VAL 86 3HG1 VAL 86 -0.855 -7.228 4.126 678 1HG2 VAL 86 1HG2 VAL 86 -1.609 -6.131 0.734 679 2HG2 VAL 86 2HG2 VAL 86 -3.141 -6.533 1.511 680 3HG2 VAL 86 3HG2 VAL 86 -2.727 -4.847 1.199 681 H PHE 87 H PHE 87 -4.660 -6.726 2.790 682 HA PHE 87 HA PHE 87 -4.794 -8.946 4.689 683 1HB PHE 87 1HB PHE 87 -6.838 -7.565 3.980 684 2HB PHE 87 2HB PHE 87 -6.731 -8.416 2.443 685 HD1 PHE 87 1HD PHE 87 -8.219 -8.426 5.591 686 HD2 PHE 87 2HD PHE 87 -6.543 -11.053 2.692 687 HE1 PHE 87 1HE PHE 87 -9.507 -10.293 6.544 688 HE2 PHE 87 2HE PHE 87 -7.829 -12.925 3.639 689 HZ PHE 87 HZ PHE 87 -9.314 -12.546 5.567 690 H GLN 88 H GLN 88 -3.602 -10.664 4.208 691 HA GLN 88 HA GLN 88 -3.745 -11.768 1.509 692 1HB GLN 88 1HB GLN 88 -1.641 -10.292 1.887 693 2HB GLN 88 2HB GLN 88 -1.076 -11.631 2.876 694 1HG GLN 88 1HG GLN 88 -0.773 -13.008 1.095 695 2HG GLN 88 2HG GLN 88 -2.058 -12.255 0.152 696 1HE2 GLN 88 1HE2 GLN 88 0.469 -12.902 -0.864 697 2HE2 GLN 88 2HE2 GLN 88 1.276 -11.436 -1.292 698 H GLN 89 H GLN 89 -2.773 -14.004 1.440 699 HA GLN 89 HA GLN 89 -3.366 -15.385 3.970 700 1HB GLN 89 1HB GLN 89 -3.943 -17.340 2.614 701 2HB GLN 89 2HB GLN 89 -4.910 -15.944 2.157 702 1HG GLN 89 1HG GLN 89 -4.358 -16.727 0.099 703 2HG GLN 89 2HG GLN 89 -3.006 -15.629 0.372 704 1HE2 GLN 89 1HE2 GLN 89 -1.928 -16.948 -1.231 705 2HE2 GLN 89 2HE2 GLN 89 -1.159 -18.416 -0.744 706 H GLN 90 H GLN 90 -1.019 -14.903 1.469 707 HA GLN 90 HA GLN 90 0.624 -17.150 2.143 708 1HB GLN 90 1HB GLN 90 0.494 -15.687 -0.058 709 2HB GLN 90 2HB GLN 90 1.733 -14.747 0.762 710 1HG GLN 90 1HG GLN 90 2.737 -16.375 -0.713 711 2HG GLN 90 2HG GLN 90 3.118 -16.746 0.967 712 1HE2 GLN 90 1HE2 GLN 90 2.970 -18.799 1.478 713 2HE2 GLN 90 2HE2 GLN 90 1.941 -19.969 0.731 714 H THR 91 H THR 91 2.618 -17.139 3.222 715 HA THR 91 HA THR 91 3.571 -14.770 4.547 716 HB THR 91 HB THR 91 2.679 -17.011 6.354 717 HG1 THR 91 1HG THR 91 1.276 -14.673 5.545 718 1HG2 THR 91 1HG2 THR 91 4.353 -15.653 7.355 719 2HG2 THR 91 2HG2 THR 91 2.813 -15.129 8.038 720 3HG2 THR 91 3HG2 THR 91 3.591 -14.171 6.779 721 H GLY 92 H GLY 92 5.697 -14.934 5.086 722 1HA GLY 92 2HA GLY 92 6.980 -17.467 5.528 723 2HA GLY 92 3HA GLY 92 7.352 -16.787 3.950 724 H GLY 93 H GLY 93 7.346 -14.041 4.749 725 1HA GLY 93 2HA GLY 93 10.022 -13.911 5.810 726 2HA GLY 93 3HA GLY 93 9.040 -12.553 5.283 727 H VAL 94 H VAL 94 9.279 -11.200 6.990 728 HA VAL 94 HA VAL 94 8.201 -12.148 9.560 729 HB VAL 94 HB VAL 94 10.508 -10.218 9.307 730 1HG1 VAL 94 1HG1 VAL 94 9.626 -9.711 11.345 731 2HG1 VAL 94 2HG1 VAL 94 8.913 -11.311 11.560 732 3HG1 VAL 94 3HG1 VAL 94 10.642 -11.072 11.815 733 1HG2 VAL 94 1HG2 VAL 94 11.814 -12.151 10.318 734 2HG2 VAL 94 2HG2 VAL 94 10.470 -13.180 9.823 735 3HG2 VAL 94 3HG2 VAL 94 11.391 -12.288 8.611 736 H TYR 95 H TYR 95 6.787 -10.810 10.557 737 HA TYR 95 HA TYR 95 5.792 -8.562 9.054 738 1HB TYR 95 1HB TYR 95 4.070 -8.441 10.813 739 2HB TYR 95 2HB TYR 95 4.223 -10.068 10.161 740 HD1 TYR 95 1HD TYR 95 4.873 -7.925 13.079 741 HD2 TYR 95 2HD TYR 95 4.997 -11.887 11.532 742 HE1 TYR 95 1HE TYR 95 5.196 -8.798 15.356 743 HE2 TYR 95 2HE TYR 95 5.318 -12.770 13.804 744 HH TYR 95 HH TYR 95 5.062 -10.726 16.625 Start of MODEL 7 1 1H MET 1 1H MET 1 6.430 29.224 -3.502 2 HA MET 1 HA MET 1 6.785 29.463 -0.589 3 1HB MET 1 1HB MET 1 4.456 30.362 -2.277 4 2HB MET 1 2HB MET 1 4.311 30.090 -0.546 5 1HG MET 1 1HG MET 1 4.730 32.324 -0.567 6 2HG MET 1 2HG MET 1 6.375 31.705 -0.444 7 1HE MET 1 1HE MET 1 4.229 33.976 -1.615 8 2HE MET 1 2HE MET 1 5.313 34.935 -2.623 9 3HE MET 1 3HE MET 1 4.088 33.911 -3.372 10 H ALA 2 H ALA 2 7.253 27.089 -1.824 11 HA ALA 2 HA ALA 2 4.936 25.493 -0.971 12 1HB ALA 2 1HB ALA 2 4.819 25.485 -3.358 13 2HB ALA 2 2HB ALA 2 6.535 25.100 -3.494 14 3HB ALA 2 3HB ALA 2 5.414 23.908 -2.836 15 H ASP 3 H ASP 3 5.485 24.112 0.572 16 HA ASP 3 HA ASP 3 8.286 23.557 1.092 17 1HB ASP 3 1HB ASP 3 5.747 22.910 2.592 18 2HB ASP 3 2HB ASP 3 7.334 22.345 3.108 19 H GLU 4 H GLU 4 9.275 21.584 0.957 20 HA GLU 4 HA GLU 4 7.697 19.278 0.096 21 1HB GLU 4 1HB GLU 4 9.465 18.792 -1.654 22 2HB GLU 4 2HB GLU 4 8.374 20.123 -2.010 23 1HG GLU 4 1HG GLU 4 11.000 20.658 -0.698 24 2HG GLU 4 2HG GLU 4 10.916 20.382 -2.437 25 H LYS 5 H LYS 5 8.784 17.247 0.366 26 HA LYS 5 HA LYS 5 11.175 17.348 2.073 27 1HB LYS 5 1HB LYS 5 8.556 15.998 2.615 28 2HB LYS 5 2HB LYS 5 10.041 15.296 3.244 29 1HG LYS 5 1HG LYS 5 10.464 17.689 4.170 30 2HG LYS 5 2HG LYS 5 8.724 17.879 3.943 31 1HD LYS 5 1HD LYS 5 8.931 17.133 6.149 32 2HD LYS 5 2HD LYS 5 8.512 15.676 5.243 33 1HE LYS 5 1HE LYS 5 10.792 14.946 5.242 34 2HE LYS 5 2HE LYS 5 11.336 16.478 5.925 35 1HZ LYS 5 1HZ LYS 5 9.346 15.108 7.504 36 2HZ LYS 5 2HZ LYS 5 10.793 15.839 7.984 37 3HZ LYS 5 3HZ LYS 5 10.807 14.268 7.357 38 HA PRO 6 HA PRO 6 11.591 14.347 -1.477 39 1HB PRO 6 1HB PRO 6 13.982 15.304 -2.336 40 2HB PRO 6 2HB PRO 6 12.433 15.954 -2.886 41 1HG PRO 6 1HG PRO 6 14.291 17.006 -0.788 42 2HG PRO 6 2HG PRO 6 13.411 17.890 -2.049 43 1HD PRO 6 1HD PRO 6 12.565 17.790 0.521 44 2HD PRO 6 2HD PRO 6 11.442 17.890 -0.850 45 H LYS 7 H LYS 7 12.129 12.461 -0.556 46 HA LYS 7 HA LYS 7 14.473 12.310 1.185 47 1HB LYS 7 1HB LYS 7 12.258 10.338 0.605 48 2HB LYS 7 2HB LYS 7 13.627 9.992 1.653 49 1HG LYS 7 1HG LYS 7 11.902 12.375 2.173 50 2HG LYS 7 2HG LYS 7 11.390 10.767 2.690 51 1HD LYS 7 1HD LYS 7 14.156 11.630 3.355 52 2HD LYS 7 2HD LYS 7 12.824 12.359 4.256 53 1HE LYS 7 1HE LYS 7 12.872 9.401 3.910 54 2HE LYS 7 2HE LYS 7 13.979 10.133 5.070 55 1HZ LYS 7 1HZ LYS 7 12.324 10.560 6.482 56 2HZ LYS 7 2HZ LYS 7 11.417 9.454 5.580 57 3HZ LYS 7 3HZ LYS 7 11.281 11.111 5.270 58 H GLU 8 H GLU 8 13.090 10.415 -1.507 59 HA GLU 8 HA GLU 8 15.514 10.321 -2.956 60 1HB GLU 8 1HB GLU 8 16.120 8.816 -1.061 61 2HB GLU 8 2HB GLU 8 14.798 7.755 -1.528 62 1HG GLU 8 1HG GLU 8 15.843 7.220 -3.591 63 2HG GLU 8 2HG GLU 8 17.060 8.475 -3.369 64 H GLY 9 H GLY 9 15.320 9.177 -4.946 65 1HA GLY 9 2HA GLY 9 14.132 7.845 -6.514 66 2HA GLY 9 3HA GLY 9 12.691 8.011 -5.522 67 H VAL 10 H VAL 10 12.991 8.454 -8.382 68 HA VAL 10 HA VAL 10 12.854 11.319 -8.763 69 HB VAL 10 HB VAL 10 12.352 10.746 -11.130 70 1HG1 VAL 10 1HG1 VAL 10 14.742 9.189 -10.184 71 2HG1 VAL 10 2HG1 VAL 10 14.550 10.115 -11.674 72 3HG1 VAL 10 3HG1 VAL 10 14.685 10.951 -10.127 73 1HG2 VAL 10 1HG2 VAL 10 11.489 8.751 -11.591 74 2HG2 VAL 10 2HG2 VAL 10 13.059 8.037 -11.224 75 3HG2 VAL 10 3HG2 VAL 10 11.834 8.171 -9.962 76 H LYS 11 H LYS 11 11.034 12.475 -9.451 77 HA LYS 11 HA LYS 11 8.455 11.140 -8.945 78 1HB LYS 11 1HB LYS 11 9.481 13.825 -8.118 79 2HB LYS 11 2HB LYS 11 7.759 13.624 -8.412 80 1HG LYS 11 1HG LYS 11 7.964 13.259 -6.135 81 2HG LYS 11 2HG LYS 11 7.930 11.626 -6.803 82 1HD LYS 11 1HD LYS 11 10.345 11.483 -6.656 83 2HD LYS 11 2HD LYS 11 10.435 13.152 -6.090 84 1HE LYS 11 1HE LYS 11 9.005 12.447 -4.141 85 2HE LYS 11 2HE LYS 11 9.235 10.782 -4.671 86 1HZ LYS 11 1HZ LYS 11 11.341 12.681 -3.798 87 2HZ LYS 11 2HZ LYS 11 11.660 11.164 -4.474 88 3HZ LYS 11 3HZ LYS 11 10.840 11.276 -2.999 89 H THR 12 H THR 12 6.885 11.344 -10.443 90 HA THR 12 HA THR 12 7.580 12.760 -12.909 91 HB THR 12 HB THR 12 5.655 11.498 -13.893 92 HG1 THR 12 1HG THR 12 4.909 9.701 -12.560 93 1HG2 THR 12 1HG2 THR 12 7.320 10.141 -14.494 94 2HG2 THR 12 2HG2 THR 12 6.989 9.181 -13.052 95 3HG2 THR 12 3HG2 THR 12 8.191 10.470 -12.997 96 H GLU 13 H GLU 13 5.731 13.803 -14.098 97 HA GLU 13 HA GLU 13 3.691 14.953 -12.354 98 1HB GLU 13 1HB GLU 13 5.811 16.518 -13.801 99 2HB GLU 13 2HB GLU 13 4.252 17.236 -13.424 100 1HG GLU 13 1HG GLU 13 4.615 17.085 -11.115 101 2HG GLU 13 2HG GLU 13 5.955 15.958 -11.314 102 H ASN 14 H ASN 14 2.440 13.474 -13.721 103 HA ASN 14 HA ASN 14 1.689 14.784 -16.244 104 1HB ASN 14 1HB ASN 14 3.060 12.453 -16.245 105 2HB ASN 14 2HB ASN 14 1.413 11.837 -16.147 106 1HD2 ASN 14 1HD2 ASN 14 3.825 12.890 -18.182 107 2HD2 ASN 14 2HD2 ASN 14 2.888 13.117 -19.615 108 H ASN 15 H ASN 15 0.620 12.055 -14.205 109 HA ASN 15 HA ASN 15 -2.125 13.084 -14.418 110 1HB ASN 15 1HB ASN 15 -1.397 10.344 -13.412 111 2HB ASN 15 2HB ASN 15 -2.916 10.891 -14.114 112 1HD2 ASN 15 1HD2 ASN 15 -0.785 8.768 -14.740 113 2HD2 ASN 15 2HD2 ASN 15 -0.548 8.939 -16.443 114 H ASP 16 H ASP 16 -0.323 11.171 -12.008 115 HA ASP 16 HA ASP 16 -0.655 13.126 -9.954 116 1HB ASP 16 1HB ASP 16 -2.700 11.058 -10.285 117 2HB ASP 16 2HB ASP 16 -1.994 11.085 -8.671 118 H HIS 17 H HIS 17 0.070 12.243 -7.797 119 HA HIS 17 HA HIS 17 1.567 9.795 -7.786 120 1HB HIS 17 1HB HIS 17 3.202 11.072 -8.977 121 2HB HIS 17 2HB HIS 17 3.014 12.444 -7.888 122 HD1 HIS 17 1HD HIS 17 4.326 12.404 -5.704 123 HD2 HIS 17 2HD HIS 17 4.724 8.919 -7.932 124 HE1 HIS 17 1HE HIS 17 6.195 11.121 -4.617 125 H ILE 18 H ILE 18 1.212 9.027 -5.821 126 HA ILE 18 HA ILE 18 1.208 10.908 -3.552 127 HB ILE 18 HB ILE 18 -0.526 9.714 -2.473 128 1HG1 ILE 18 1HG1 ILE 18 -0.297 7.670 -4.693 129 2HG1 ILE 18 2HG1 ILE 18 0.190 7.442 -3.017 130 1HG2 ILE 18 1HG2 ILE 18 -1.157 11.240 -4.374 131 2HG2 ILE 18 2HG2 ILE 18 -1.384 9.793 -5.355 132 3HG2 ILE 18 3HG2 ILE 18 -2.375 10.048 -3.920 133 1HD1 ILE 18 1HD1 ILE 18 -1.873 6.353 -3.247 134 2HD1 ILE 18 2HD1 ILE 18 -2.227 7.863 -2.407 135 3HD1 ILE 18 3HD1 ILE 18 -2.582 7.707 -4.127 136 H ASN 19 H ASN 19 1.290 9.430 -1.418 137 HA ASN 19 HA ASN 19 3.479 7.495 -1.789 138 1HB ASN 19 1HB ASN 19 3.919 9.918 -0.728 139 2HB ASN 19 2HB ASN 19 3.395 9.076 0.727 140 1HD2 ASN 19 1HD2 ASN 19 4.556 7.162 1.351 141 2HD2 ASN 19 2HD2 ASN 19 6.226 7.000 0.935 142 H LEU 20 H LEU 20 3.219 5.583 -0.809 143 HA LEU 20 HA LEU 20 1.295 5.351 1.390 144 1HB LEU 20 1HB LEU 20 1.351 3.351 -0.848 145 2HB LEU 20 2HB LEU 20 0.152 3.532 0.431 146 HG LEU 20 HG LEU 20 0.074 5.943 -0.968 147 1HD1 LEU 20 1HD1 LEU 20 1.022 5.422 -2.947 148 2HD1 LEU 20 2HD1 LEU 20 -0.552 4.693 -3.261 149 3HD1 LEU 20 3HD1 LEU 20 0.794 3.687 -2.727 150 1HD2 LEU 20 1HD2 LEU 20 -1.820 3.738 -1.612 151 2HD2 LEU 20 2HD2 LEU 20 -2.142 5.428 -1.223 152 3HD2 LEU 20 3HD2 LEU 20 -1.705 4.296 0.057 153 H LYS 21 H LYS 21 1.629 3.557 2.767 154 HA LYS 21 HA LYS 21 4.056 1.982 2.323 155 1HB LYS 21 1HB LYS 21 3.538 3.301 4.982 156 2HB LYS 21 2HB LYS 21 4.999 2.485 4.441 157 1HG LYS 21 1HG LYS 21 5.458 4.271 2.877 158 2HG LYS 21 2HG LYS 21 3.948 5.072 3.314 159 1HD LYS 21 1HD LYS 21 6.215 4.514 5.225 160 2HD LYS 21 2HD LYS 21 5.939 6.058 4.416 161 1HE LYS 21 1HE LYS 21 3.705 6.163 5.477 162 2HE LYS 21 2HE LYS 21 4.077 4.674 6.345 163 1HZ LYS 21 1HZ LYS 21 4.501 7.049 7.384 164 2HZ LYS 21 2HZ LYS 21 5.982 6.873 6.585 165 3HZ LYS 21 3HZ LYS 21 5.500 5.729 7.734 166 H VAL 22 H VAL 22 3.293 -0.032 2.325 167 HA VAL 22 HA VAL 22 1.089 -0.771 4.082 168 HB VAL 22 HB VAL 22 1.244 -2.984 2.898 169 1HG1 VAL 22 1HG1 VAL 22 0.518 -1.942 0.634 170 2HG1 VAL 22 2HG1 VAL 22 -0.439 -1.620 2.082 171 3HG1 VAL 22 3HG1 VAL 22 0.694 -0.407 1.484 172 1HG2 VAL 22 1HG2 VAL 22 2.699 -2.030 0.619 173 2HG2 VAL 22 2HG2 VAL 22 3.715 -1.945 2.058 174 3HG2 VAL 22 3HG2 VAL 22 2.974 -3.475 1.591 175 H ALA 23 H ALA 23 1.524 -1.434 6.073 176 HA ALA 23 HA ALA 23 3.886 -3.141 6.501 177 1HB ALA 23 1HB ALA 23 4.756 -1.626 7.866 178 2HB ALA 23 2HB ALA 23 3.357 -0.575 7.643 179 3HB ALA 23 3HB ALA 23 3.349 -1.796 8.916 180 H GLY 24 H GLY 24 3.527 -4.991 7.583 181 1HA GLY 24 2HA GLY 24 0.806 -5.675 8.261 182 2HA GLY 24 3HA GLY 24 2.202 -6.739 8.341 183 H GLN 25 H GLN 25 -0.061 -6.066 10.246 184 HA GLN 25 HA GLN 25 0.906 -4.659 12.456 185 1HB GLN 25 1HB GLN 25 -1.130 -6.857 12.180 186 2HB GLN 25 2HB GLN 25 -0.754 -6.142 13.742 187 1HG GLN 25 1HG GLN 25 -1.330 -3.915 12.765 188 2HG GLN 25 2HG GLN 25 -1.898 -4.764 11.328 189 1HE2 GLN 25 1HE2 GLN 25 -2.215 -5.325 14.819 190 2HE2 GLN 25 2HE2 GLN 25 -3.939 -5.442 14.816 191 H ASP 26 H ASP 26 1.767 -7.739 11.243 192 HA ASP 26 HA ASP 26 2.742 -8.805 13.734 193 1HB ASP 26 1HB ASP 26 3.181 -9.705 10.879 194 2HB ASP 26 2HB ASP 26 3.695 -10.599 12.306 195 H GLY 27 H GLY 27 4.548 -8.299 10.707 196 1HA GLY 27 2HA GLY 27 6.477 -6.577 11.946 197 2HA GLY 27 3HA GLY 27 7.076 -8.218 11.761 198 H SER 28 H SER 28 5.103 -6.091 9.692 199 HA SER 28 HA SER 28 7.150 -6.392 7.597 200 1HB SER 28 1HB SER 28 4.204 -6.880 7.453 201 2HB SER 28 2HB SER 28 5.020 -6.221 6.035 202 HG SER 28 HG SER 28 5.480 -8.679 7.352 203 H VAL 29 H VAL 29 7.179 -4.683 6.002 204 HA VAL 29 HA VAL 29 5.634 -2.333 6.220 205 HB VAL 29 HB VAL 29 6.793 -1.924 8.289 206 1HG1 VAL 29 1HG1 VAL 29 9.487 -1.579 7.425 207 2HG1 VAL 29 2HG1 VAL 29 8.852 -2.662 8.665 208 3HG1 VAL 29 3HG1 VAL 29 8.953 -3.202 6.989 209 1HG2 VAL 29 1HG2 VAL 29 8.221 -0.181 6.311 210 2HG2 VAL 29 2HG2 VAL 29 6.472 -0.079 6.519 211 3HG2 VAL 29 3HG2 VAL 29 7.542 0.246 7.882 212 H VAL 30 H VAL 30 5.634 -1.651 4.192 213 HA VAL 30 HA VAL 30 8.171 -1.383 2.762 214 HB VAL 30 HB VAL 30 5.781 -2.696 1.468 215 1HG1 VAL 30 1HG1 VAL 30 8.596 -2.130 0.574 216 2HG1 VAL 30 2HG1 VAL 30 7.556 -3.302 -0.237 217 3HG1 VAL 30 3HG1 VAL 30 7.086 -1.603 -0.168 218 1HG2 VAL 30 1HG2 VAL 30 7.005 -4.792 1.588 219 2HG2 VAL 30 2HG2 VAL 30 8.320 -3.997 2.455 220 3HG2 VAL 30 3HG2 VAL 30 6.733 -4.150 3.208 221 H GLN 31 H GLN 31 8.280 0.407 1.524 222 HA GLN 31 HA GLN 31 5.878 2.087 1.402 223 1HB GLN 31 1HB GLN 31 8.706 2.966 0.846 224 2HB GLN 31 2HB GLN 31 7.313 3.973 1.218 225 1HG GLN 31 1HG GLN 31 7.276 3.146 3.487 226 2HG GLN 31 2HG GLN 31 8.600 2.038 3.130 227 1HE2 GLN 31 1HE2 GLN 31 9.546 3.172 4.998 228 2HE2 GLN 31 2HE2 GLN 31 10.427 4.630 4.709 229 H PHE 32 H PHE 32 5.237 3.090 -0.519 230 HA PHE 32 HA PHE 32 6.609 2.424 -2.989 231 1HB PHE 32 1HB PHE 32 4.306 0.956 -2.079 232 2HB PHE 32 2HB PHE 32 3.907 1.838 -3.550 233 HD1 PHE 32 1HD PHE 32 5.891 -0.845 -2.093 234 HD2 PHE 32 2HD PHE 32 5.057 1.355 -5.640 235 HE1 PHE 32 1HE PHE 32 7.013 -2.579 -3.429 236 HE2 PHE 32 2HE PHE 32 6.177 -0.377 -6.982 237 HZ PHE 32 HZ PHE 32 7.157 -2.347 -5.876 238 H LYS 33 H LYS 33 5.685 3.555 -4.860 239 HA LYS 33 HA LYS 33 4.039 5.879 -4.136 240 1HB LYS 33 1HB LYS 33 5.491 7.320 -5.528 241 2HB LYS 33 2HB LYS 33 6.332 6.662 -4.131 242 1HG LYS 33 1HG LYS 33 7.100 4.816 -5.784 243 2HG LYS 33 2HG LYS 33 6.658 5.995 -7.022 244 1HD LYS 33 1HD LYS 33 8.899 6.461 -6.665 245 2HD LYS 33 2HD LYS 33 8.098 7.633 -5.616 246 1HE LYS 33 1HE LYS 33 8.603 6.419 -3.682 247 2HE LYS 33 2HE LYS 33 8.945 4.946 -4.588 248 1HZ LYS 33 1HZ LYS 33 10.871 6.409 -3.654 249 2HZ LYS 33 2HZ LYS 33 10.613 7.312 -5.061 250 3HZ LYS 33 3HZ LYS 33 11.016 5.673 -5.171 251 H ILE 34 H ILE 34 2.481 6.365 -5.570 252 HA ILE 34 HA ILE 34 2.676 5.657 -8.350 253 HB ILE 34 HB ILE 34 1.884 3.556 -7.003 254 1HG1 ILE 34 1HG1 ILE 34 -0.015 4.033 -9.202 255 2HG1 ILE 34 2HG1 ILE 34 1.666 4.365 -9.606 256 1HG2 ILE 34 1HG2 ILE 34 -0.361 3.420 -6.415 257 2HG2 ILE 34 2HG2 ILE 34 0.098 5.034 -5.875 258 3HG2 ILE 34 3HG2 ILE 34 -0.800 4.830 -7.379 259 1HD1 ILE 34 1HD1 ILE 34 0.716 2.015 -10.030 260 2HD1 ILE 34 2HD1 ILE 34 2.306 2.165 -9.280 261 3HD1 ILE 34 3HD1 ILE 34 0.895 1.796 -8.289 262 H LYS 35 H LYS 35 0.597 6.214 -9.518 263 HA LYS 35 HA LYS 35 -0.153 8.848 -8.900 264 1HB LYS 35 1HB LYS 35 -1.749 8.648 -10.721 265 2HB LYS 35 2HB LYS 35 -0.226 7.894 -11.175 266 1HG LYS 35 1HG LYS 35 -1.190 5.691 -10.628 267 2HG LYS 35 2HG LYS 35 -2.728 6.481 -10.276 268 1HD LYS 35 1HD LYS 35 -1.290 6.560 -12.929 269 2HD LYS 35 2HD LYS 35 -2.664 5.521 -12.543 270 1HE LYS 35 1HE LYS 35 -4.004 7.554 -12.073 271 2HE LYS 35 2HE LYS 35 -2.636 8.537 -12.594 272 1HZ LYS 35 1HZ LYS 35 -4.245 6.666 -14.237 273 2HZ LYS 35 2HZ LYS 35 -2.780 7.327 -14.763 274 3HZ LYS 35 3HZ LYS 35 -4.092 8.341 -14.427 275 H ARG 36 H ARG 36 -2.832 9.116 -9.171 276 HA ARG 36 HA ARG 36 -3.786 8.135 -6.594 277 1HB ARG 36 1HB ARG 36 -3.933 10.560 -7.175 278 2HB ARG 36 2HB ARG 36 -5.066 10.143 -8.454 279 1HG ARG 36 1HG ARG 36 -6.749 10.194 -7.022 280 2HG ARG 36 2HG ARG 36 -5.963 8.978 -6.012 281 1HD ARG 36 1HD ARG 36 -6.471 11.091 -4.814 282 2HD ARG 36 2HD ARG 36 -4.759 10.672 -4.812 283 HE ARG 36 HE ARG 36 -5.371 12.395 -6.977 284 1HH1 ARG 36 2HH1 ARG 36 -4.903 12.364 -3.528 285 2HH1 ARG 36 1HH1 ARG 36 -4.386 14.015 -3.452 286 1HH2 ARG 36 2HH2 ARG 36 -4.691 14.570 -6.891 287 2HH2 ARG 36 1HH2 ARG 36 -4.266 15.270 -5.365 288 H HIS 37 H HIS 37 -4.420 7.831 -10.009 289 HA HIS 37 HA HIS 37 -6.685 6.045 -9.416 290 1HB HIS 37 1HB HIS 37 -7.237 8.013 -10.821 291 2HB HIS 37 2HB HIS 37 -6.058 7.470 -12.011 292 HD1 HIS 37 1HD HIS 37 -7.524 6.832 -13.928 293 HD2 HIS 37 2HD HIS 37 -8.824 5.199 -10.336 294 HE1 HIS 37 1HE HIS 37 -9.395 5.267 -14.540 295 H THR 38 H THR 38 -4.684 4.617 -8.923 296 HA THR 38 HA THR 38 -3.886 3.235 -11.402 297 HB THR 38 HB THR 38 -2.189 4.337 -9.547 298 HG1 THR 38 1HG THR 38 -1.266 3.775 -11.408 299 1HG2 THR 38 1HG2 THR 38 -1.186 2.590 -8.263 300 2HG2 THR 38 2HG2 THR 38 -2.198 1.366 -9.028 301 3HG2 THR 38 3HG2 THR 38 -2.917 2.549 -7.936 302 HA PRO 39 HA PRO 39 -5.974 -0.361 -9.966 303 1HB PRO 39 1HB PRO 39 -4.527 -2.274 -11.237 304 2HB PRO 39 2HB PRO 39 -5.662 -1.212 -12.078 305 1HG PRO 39 1HG PRO 39 -2.683 -1.009 -11.862 306 2HG PRO 39 2HG PRO 39 -3.722 -0.762 -13.278 307 1HD PRO 39 1HD PRO 39 -2.720 1.294 -11.830 308 2HD PRO 39 2HD PRO 39 -4.298 1.376 -12.640 309 H LEU 40 H LEU 40 -5.523 -0.399 -7.757 310 HA LEU 40 HA LEU 40 -3.131 -0.950 -6.503 311 1HB LEU 40 1HB LEU 40 -5.937 -1.675 -5.687 312 2HB LEU 40 2HB LEU 40 -4.539 -1.844 -4.628 313 HG LEU 40 HG LEU 40 -5.245 0.810 -5.833 314 1HD1 LEU 40 1HD1 LEU 40 -6.173 0.215 -3.095 315 2HD1 LEU 40 2HD1 LEU 40 -7.106 -0.493 -4.413 316 3HD1 LEU 40 3HD1 LEU 40 -6.876 1.254 -4.336 317 1HD2 LEU 40 1HD2 LEU 40 -3.826 1.692 -4.271 318 2HD2 LEU 40 2HD2 LEU 40 -3.052 0.131 -4.546 319 3HD2 LEU 40 3HD2 LEU 40 -4.078 0.371 -3.131 320 H SER 41 H SER 41 -5.208 -3.096 -8.236 321 HA SER 41 HA SER 41 -4.659 -5.565 -7.165 322 1HB SER 41 1HB SER 41 -5.010 -6.476 -9.446 323 2HB SER 41 2HB SER 41 -6.222 -5.270 -9.014 324 HG SER 41 HG SER 41 -3.948 -4.908 -10.671 325 H LYS 42 H LYS 42 -2.682 -3.696 -9.431 326 HA LYS 42 HA LYS 42 -0.718 -5.526 -10.036 327 1HB LYS 42 1HB LYS 42 0.655 -3.712 -10.647 328 2HB LYS 42 2HB LYS 42 -0.989 -3.132 -10.880 329 1HG LYS 42 1HG LYS 42 -0.898 -1.902 -8.811 330 2HG LYS 42 2HG LYS 42 0.696 -2.567 -8.449 331 1HD LYS 42 1HD LYS 42 0.980 -0.345 -9.307 332 2HD LYS 42 2HD LYS 42 1.545 -1.488 -10.529 333 1HE LYS 42 1HE LYS 42 -0.727 -1.297 -11.596 334 2HE LYS 42 2HE LYS 42 -1.057 0.029 -10.482 335 1HZ LYS 42 1HZ LYS 42 0.314 0.115 -12.920 336 2HZ LYS 42 2HZ LYS 42 1.417 0.502 -11.698 337 3HZ LYS 42 3HZ LYS 42 -0.013 1.390 -11.858 338 H LEU 43 H LEU 43 -1.183 -3.711 -7.079 339 HA LEU 43 HA LEU 43 1.369 -4.347 -5.957 340 1HB LEU 43 1HB LEU 43 -0.401 -2.466 -5.381 341 2HB LEU 43 2HB LEU 43 -0.963 -3.682 -4.237 342 HG LEU 43 HG LEU 43 0.480 -2.274 -3.025 343 1HD1 LEU 43 1HD1 LEU 43 0.867 -4.850 -2.991 344 2HD1 LEU 43 2HD1 LEU 43 1.994 -3.778 -2.162 345 3HD1 LEU 43 3HD1 LEU 43 2.407 -4.436 -3.744 346 1HD2 LEU 43 1HD2 LEU 43 2.708 -2.644 -4.993 347 2HD2 LEU 43 2HD2 LEU 43 2.518 -1.414 -3.744 348 3HD2 LEU 43 3HD2 LEU 43 1.519 -1.357 -5.196 349 H MET 44 H MET 44 -1.926 -5.597 -5.515 350 HA MET 44 HA MET 44 -1.471 -7.438 -3.512 351 1HB MET 44 1HB MET 44 -3.689 -6.864 -4.508 352 2HB MET 44 2HB MET 44 -3.278 -7.862 -5.896 353 1HG MET 44 1HG MET 44 -3.109 -9.095 -3.205 354 2HG MET 44 2HG MET 44 -4.708 -8.777 -3.874 355 1HE MET 44 1HE MET 44 -5.820 -10.104 -5.739 356 2HE MET 44 2HE MET 44 -5.366 -11.806 -5.835 357 3HE MET 44 3HE MET 44 -5.688 -11.066 -4.266 358 H LYS 45 H LYS 45 -1.588 -8.270 -6.981 359 HA LYS 45 HA LYS 45 -0.597 -10.832 -6.806 360 1HB LYS 45 1HB LYS 45 -1.446 -9.385 -8.848 361 2HB LYS 45 2HB LYS 45 0.275 -9.122 -9.096 362 1HG LYS 45 1HG LYS 45 -0.306 -10.954 -10.449 363 2HG LYS 45 2HG LYS 45 0.539 -11.632 -9.056 364 1HD LYS 45 1HD LYS 45 -1.247 -13.043 -9.101 365 2HD LYS 45 2HD LYS 45 -1.946 -11.761 -8.110 366 1HE LYS 45 1HE LYS 45 -2.207 -11.608 -11.076 367 2HE LYS 45 2HE LYS 45 -3.238 -12.727 -10.185 368 1HZ LYS 45 1HZ LYS 45 -4.535 -10.896 -10.081 369 2HZ LYS 45 2HZ LYS 45 -3.243 -9.812 -10.206 370 3HZ LYS 45 3HZ LYS 45 -3.579 -10.559 -8.726 371 H ALA 46 H ALA 46 1.219 -7.803 -7.083 372 HA ALA 46 HA ALA 46 3.781 -8.902 -7.332 373 1HB ALA 46 1HB ALA 46 3.362 -6.566 -7.782 374 2HB ALA 46 2HB ALA 46 2.934 -6.287 -6.093 375 3HB ALA 46 3HB ALA 46 4.590 -6.716 -6.524 376 H TYR 47 H TYR 47 1.943 -7.973 -4.442 377 HA TYR 47 HA TYR 47 3.845 -8.353 -2.492 378 1HB TYR 47 1HB TYR 47 1.186 -7.796 -2.477 379 2HB TYR 47 2HB TYR 47 1.178 -9.432 -1.828 380 HD1 TYR 47 1HD TYR 47 0.667 -6.475 -0.617 381 HD2 TYR 47 2HD TYR 47 3.726 -9.414 -0.297 382 HE1 TYR 47 1HE TYR 47 1.274 -5.594 1.597 383 HE2 TYR 47 2HE TYR 47 4.341 -8.542 1.919 384 HH TYR 47 HH TYR 47 2.660 -5.745 3.323 385 H CYS 48 H CYS 48 1.512 -10.815 -3.602 386 HA CYS 48 HA CYS 48 2.446 -12.968 -2.166 387 1HB CYS 48 1HB CYS 48 0.408 -13.108 -3.465 388 2HB CYS 48 2HB CYS 48 1.306 -12.918 -4.966 389 HG CYS 48 HG CYS 48 0.601 -15.665 -3.289 390 H GLU 49 H GLU 49 3.569 -11.817 -5.329 391 HA GLU 49 HA GLU 49 5.362 -13.802 -5.974 392 1HB GLU 49 1HB GLU 49 4.701 -11.610 -7.227 393 2HB GLU 49 2HB GLU 49 6.097 -10.928 -6.405 394 1HG GLU 49 1HG GLU 49 7.427 -12.857 -7.376 395 2HG GLU 49 2HG GLU 49 6.027 -13.164 -8.402 396 H ARG 50 H ARG 50 5.751 -11.151 -3.698 397 HA ARG 50 HA ARG 50 8.531 -11.758 -3.203 398 1HB ARG 50 1HB ARG 50 7.934 -9.463 -3.015 399 2HB ARG 50 2HB ARG 50 6.577 -9.830 -1.959 400 1HG ARG 50 1HG ARG 50 8.479 -8.833 -0.764 401 2HG ARG 50 2HG ARG 50 8.073 -10.446 -0.174 402 1HD ARG 50 1HD ARG 50 10.008 -11.359 -0.932 403 2HD ARG 50 2HD ARG 50 10.091 -10.287 -2.329 404 HE ARG 50 HE ARG 50 10.559 -8.662 -0.183 405 1HH1 ARG 50 2HH1 ARG 50 11.994 -11.576 -1.435 406 2HH1 ARG 50 1HH1 ARG 50 13.579 -11.206 -0.841 407 1HH2 ARG 50 2HH2 ARG 50 12.641 -8.164 0.604 408 2HH2 ARG 50 1HH2 ARG 50 13.946 -9.265 0.319 409 H GLN 51 H GLN 51 5.754 -11.553 -0.973 410 HA GLN 51 HA GLN 51 6.781 -13.961 0.376 411 1HB GLN 51 1HB GLN 51 5.927 -12.946 2.513 412 2HB GLN 51 2HB GLN 51 7.321 -12.136 1.812 413 1HG GLN 51 1HG GLN 51 6.134 -10.265 1.256 414 2HG GLN 51 2HG GLN 51 4.608 -11.138 1.127 415 1HE2 GLN 51 1HE2 GLN 51 7.068 -10.440 3.593 416 2HE2 GLN 51 2HE2 GLN 51 5.945 -10.047 4.845 417 H GLY 52 H GLY 52 5.185 -14.939 -1.160 418 1HA GLY 52 2HA GLY 52 2.384 -14.483 -0.613 419 2HA GLY 52 3HA GLY 52 3.054 -15.672 -1.720 420 H LEU 53 H LEU 53 2.798 -14.999 1.766 421 HA LEU 53 HA LEU 53 2.955 -17.845 2.347 422 1HB LEU 53 1HB LEU 53 2.539 -15.572 4.276 423 2HB LEU 53 2HB LEU 53 3.056 -17.214 4.652 424 HG LEU 53 HG LEU 53 4.758 -15.515 2.881 425 1HD1 LEU 53 1HD1 LEU 53 4.048 -14.855 5.592 426 2HD1 LEU 53 2HD1 LEU 53 5.058 -13.973 4.447 427 3HD1 LEU 53 3HD1 LEU 53 5.767 -15.227 5.464 428 1HD2 LEU 53 1HD2 LEU 53 5.038 -17.919 4.598 429 2HD2 LEU 53 2HD2 LEU 53 6.435 -16.853 4.445 430 3HD2 LEU 53 3HD2 LEU 53 5.715 -17.576 3.006 431 H SER 54 H SER 54 0.596 -15.315 2.101 432 HA SER 54 HA SER 54 -1.524 -17.267 2.532 433 1HB SER 54 1HB SER 54 -1.338 -14.668 4.072 434 2HB SER 54 2HB SER 54 -2.767 -15.700 4.022 435 HG SER 54 HG SER 54 -1.878 -16.884 5.497 436 H MET 55 H MET 55 -3.214 -16.977 1.191 437 HA MET 55 HA MET 55 -3.191 -14.558 -0.484 438 1HB MET 55 1HB MET 55 -4.556 -16.019 -2.071 439 2HB MET 55 2HB MET 55 -2.854 -16.420 -1.886 440 1HG MET 55 1HG MET 55 -4.695 -17.806 -0.059 441 2HG MET 55 2HG MET 55 -4.852 -18.214 -1.766 442 1HE MET 55 1HE MET 55 -4.037 -20.724 -1.725 443 2HE MET 55 2HE MET 55 -3.409 -19.710 -3.024 444 3HE MET 55 3HE MET 55 -2.342 -20.846 -2.198 445 H ARG 56 H ARG 56 -4.777 -15.875 2.076 446 HA ARG 56 HA ARG 56 -7.339 -14.631 1.318 447 1HB ARG 56 1HB ARG 56 -7.552 -17.037 1.706 448 2HB ARG 56 2HB ARG 56 -6.825 -16.857 3.297 449 1HG ARG 56 1HG ARG 56 -8.700 -15.694 4.131 450 2HG ARG 56 2HG ARG 56 -9.367 -15.465 2.514 451 1HD ARG 56 1HD ARG 56 -10.577 -17.213 3.684 452 2HD ARG 56 2HD ARG 56 -9.691 -17.890 2.318 453 HE ARG 56 HE ARG 56 -8.098 -18.090 4.616 454 1HH1 ARG 56 2HH1 ARG 56 -11.026 -19.411 3.274 455 2HH1 ARG 56 1HH1 ARG 56 -10.876 -20.926 4.101 456 1HH2 ARG 56 2HH2 ARG 56 -7.889 -20.081 5.711 457 2HH2 ARG 56 1HH2 ARG 56 -9.092 -21.306 5.487 458 H GLN 57 H GLN 57 -4.695 -14.627 3.505 459 HA GLN 57 HA GLN 57 -6.101 -13.021 5.488 460 1HB GLN 57 1HB GLN 57 -3.434 -14.367 5.361 461 2HB GLN 57 2HB GLN 57 -3.663 -13.034 6.485 462 1HG GLN 57 1HG GLN 57 -4.032 -15.386 7.366 463 2HG GLN 57 2HG GLN 57 -5.276 -14.186 7.711 464 1HE2 GLN 57 1HE2 GLN 57 -4.437 -16.963 5.765 465 2HE2 GLN 57 2HE2 GLN 57 -6.052 -17.384 5.320 466 H ILE 58 H ILE 58 -3.437 -12.725 3.176 467 HA ILE 58 HA ILE 58 -2.667 -10.107 3.798 468 HB ILE 58 HB ILE 58 -2.559 -11.476 1.108 469 1HG1 ILE 58 1HG1 ILE 58 -1.419 -12.727 2.911 470 2HG1 ILE 58 2HG1 ILE 58 -0.284 -12.099 1.722 471 1HG2 ILE 58 1HG2 ILE 58 -1.689 -8.850 2.051 472 2HG2 ILE 58 2HG2 ILE 58 -0.429 -9.773 1.236 473 3HG2 ILE 58 3HG2 ILE 58 -1.950 -9.437 0.409 474 1HD1 ILE 58 1HD1 ILE 58 -0.590 -10.171 3.788 475 2HD1 ILE 58 2HD1 ILE 58 -0.268 -11.746 4.515 476 3HD1 ILE 58 3HD1 ILE 58 0.846 -11.082 3.320 477 H ARG 59 H ARG 59 -3.930 -8.373 3.804 478 HA ARG 59 HA ARG 59 -5.375 -7.612 1.440 479 1HB ARG 59 1HB ARG 59 -6.791 -8.628 3.857 480 2HB ARG 59 2HB ARG 59 -7.481 -7.241 3.024 481 1HG ARG 59 1HG ARG 59 -7.101 -8.810 0.915 482 2HG ARG 59 2HG ARG 59 -7.247 -10.059 2.153 483 1HD ARG 59 1HD ARG 59 -9.243 -7.896 1.501 484 2HD ARG 59 2HD ARG 59 -9.420 -9.627 1.215 485 HE ARG 59 HE ARG 59 -9.843 -8.227 3.687 486 1HH1 ARG 59 2HH1 ARG 59 -9.053 -11.291 2.235 487 2HH1 ARG 59 1HH1 ARG 59 -9.613 -12.223 3.584 488 1HH2 ARG 59 2HH2 ARG 59 -10.584 -9.442 5.469 489 2HH2 ARG 59 1HH2 ARG 59 -10.485 -11.170 5.423 490 H PHE 60 H PHE 60 -5.346 -5.460 1.241 491 HA PHE 60 HA PHE 60 -4.086 -3.864 3.241 492 1HB PHE 60 1HB PHE 60 -5.516 -2.990 0.722 493 2HB PHE 60 2HB PHE 60 -4.415 -2.007 1.682 494 HD1 PHE 60 1HD PHE 60 -4.696 -4.069 -1.129 495 HD2 PHE 60 2HD PHE 60 -2.026 -3.065 2.030 496 HE1 PHE 60 1HE PHE 60 -2.804 -4.889 -2.471 497 HE2 PHE 60 2HE PHE 60 -0.130 -3.883 0.693 498 HZ PHE 60 HZ PHE 60 -0.517 -4.796 -1.561 499 H ARG 61 H ARG 61 -5.008 -2.951 4.943 500 HA ARG 61 HA ARG 61 -7.740 -1.939 4.744 501 1HB ARG 61 1HB ARG 61 -8.043 -4.165 5.654 502 2HB ARG 61 2HB ARG 61 -6.806 -3.873 6.869 503 1HG ARG 61 1HG ARG 61 -9.000 -1.936 6.893 504 2HG ARG 61 2HG ARG 61 -9.477 -3.594 7.262 505 1HD ARG 61 1HD ARG 61 -7.554 -3.630 8.912 506 2HD ARG 61 2HD ARG 61 -7.440 -1.888 8.671 507 HE ARG 61 HE ARG 61 -10.076 -2.793 9.378 508 1HH1 ARG 61 2HH1 ARG 61 -6.974 -1.774 10.585 509 2HH1 ARG 61 1HH1 ARG 61 -7.592 -1.270 12.123 510 1HH2 ARG 61 2HH2 ARG 61 -10.902 -2.134 11.399 511 2HH2 ARG 61 1HH2 ARG 61 -9.826 -1.477 12.586 512 H PHE 62 H PHE 62 -8.219 -0.261 6.181 513 HA PHE 62 HA PHE 62 -5.876 0.848 7.581 514 1HB PHE 62 1HB PHE 62 -7.113 3.068 7.279 515 2HB PHE 62 2HB PHE 62 -6.406 2.348 5.836 516 HD1 PHE 62 1HD PHE 62 -7.853 1.239 4.173 517 HD2 PHE 62 2HD PHE 62 -9.457 3.360 7.497 518 HE1 PHE 62 1HE PHE 62 -10.042 1.330 3.054 519 HE2 PHE 62 2HE PHE 62 -11.649 3.453 6.384 520 HZ PHE 62 HZ PHE 62 -11.944 2.436 4.160 521 H ASP 63 H ASP 63 -6.698 2.562 9.284 522 HA ASP 63 HA ASP 63 -8.131 1.062 11.253 523 1HB ASP 63 1HB ASP 63 -6.216 2.723 11.647 524 2HB ASP 63 2HB ASP 63 -7.430 3.986 11.456 525 H GLY 64 H GLY 64 -10.021 0.966 9.604 526 1HA GLY 64 2HA GLY 64 -12.140 2.523 10.674 527 2HA GLY 64 3HA GLY 64 -11.689 3.124 9.086 528 H GLN 65 H GLN 65 -11.023 0.656 7.885 529 HA GLN 65 HA GLN 65 -12.938 -1.351 8.149 530 1HB GLN 65 1HB GLN 65 -14.314 -0.798 6.082 531 2HB GLN 65 2HB GLN 65 -14.662 0.138 7.530 532 1HG GLN 65 1HG GLN 65 -13.157 1.925 6.612 533 2HG GLN 65 2HG GLN 65 -13.115 1.008 5.107 534 1HE2 GLN 65 1HE2 GLN 65 -15.497 2.211 7.449 535 2HE2 GLN 65 2HE2 GLN 65 -16.634 2.758 6.268 536 HA PRO 66 HA PRO 66 -10.266 -3.285 5.257 537 1HB PRO 66 1HB PRO 66 -11.915 -5.127 4.135 538 2HB PRO 66 2HB PRO 66 -11.306 -5.264 5.788 539 1HG PRO 66 1HG PRO 66 -13.963 -4.279 4.824 540 2HG PRO 66 2HG PRO 66 -13.594 -5.346 6.192 541 1HD PRO 66 1HD PRO 66 -14.128 -2.710 6.504 542 2HD PRO 66 2HD PRO 66 -13.012 -3.591 7.567 543 H ILE 67 H ILE 67 -9.571 -3.035 3.194 544 HA ILE 67 HA ILE 67 -11.095 -1.321 1.451 545 HB ILE 67 HB ILE 67 -8.438 -2.665 0.941 546 1HG1 ILE 67 1HG1 ILE 67 -8.958 0.169 1.854 547 2HG1 ILE 67 2HG1 ILE 67 -8.529 -1.140 2.950 548 1HG2 ILE 67 1HG2 ILE 67 -10.066 -0.664 -0.544 549 2HG2 ILE 67 2HG2 ILE 67 -8.309 -0.531 -0.589 550 3HG2 ILE 67 3HG2 ILE 67 -9.095 -2.005 -1.151 551 1HD1 ILE 67 1HD1 ILE 67 -6.639 -1.110 0.839 552 2HD1 ILE 67 2HD1 ILE 67 -6.823 0.536 1.447 553 3HD1 ILE 67 3HD1 ILE 67 -6.392 -0.769 2.552 554 H ASN 68 H ASN 68 -11.868 -1.807 -0.602 555 HA ASN 68 HA ASN 68 -12.551 -4.608 -1.000 556 1HB ASN 68 1HB ASN 68 -13.437 -2.207 -2.612 557 2HB ASN 68 2HB ASN 68 -14.157 -3.815 -2.622 558 1HD2 ASN 68 1HD2 ASN 68 -15.527 -1.401 -2.107 559 2HD2 ASN 68 2HD2 ASN 68 -16.123 -1.467 -0.486 560 H GLU 69 H GLU 69 -12.844 -4.810 -3.696 561 HA GLU 69 HA GLU 69 -10.054 -4.810 -4.590 562 1HB GLU 69 1HB GLU 69 -10.701 -6.503 -6.177 563 2HB GLU 69 2HB GLU 69 -11.316 -6.952 -4.593 564 1HG GLU 69 1HG GLU 69 -13.484 -5.756 -5.409 565 2HG GLU 69 2HG GLU 69 -12.797 -6.033 -7.009 566 H THR 70 H THR 70 -13.129 -3.384 -5.233 567 HA THR 70 HA THR 70 -12.119 -2.223 -7.742 568 HB THR 70 HB THR 70 -14.289 -3.442 -7.874 569 HG1 THR 70 1HG THR 70 -15.240 -1.843 -9.128 570 1HG2 THR 70 1HG2 THR 70 -15.990 -3.056 -6.475 571 2HG2 THR 70 2HG2 THR 70 -15.870 -1.311 -6.698 572 3HG2 THR 70 3HG2 THR 70 -14.856 -2.119 -5.503 573 H ASP 71 H ASP 71 -11.338 -1.308 -5.090 574 HA ASP 71 HA ASP 71 -12.590 1.356 -5.042 575 1HB ASP 71 1HB ASP 71 -11.336 -0.340 -2.912 576 2HB ASP 71 2HB ASP 71 -11.365 1.411 -2.727 577 H THR 72 H THR 72 -11.104 3.150 -4.396 578 HA THR 72 HA THR 72 -8.346 2.742 -5.310 579 HB THR 72 HB THR 72 -8.686 5.139 -6.386 580 HG1 THR 72 1HG THR 72 -10.714 5.668 -6.616 581 1HG2 THR 72 1HG2 THR 72 -8.443 4.089 -8.374 582 2HG2 THR 72 2HG2 THR 72 -9.845 3.051 -8.115 583 3HG2 THR 72 3HG2 THR 72 -8.300 2.648 -7.368 584 HA PRO 73 HA PRO 73 -7.164 5.326 -1.965 585 1HB PRO 73 1HB PRO 73 -5.057 6.685 -3.006 586 2HB PRO 73 2HB PRO 73 -4.982 4.969 -2.589 587 1HG PRO 73 1HG PRO 73 -5.398 6.253 -5.261 588 2HG PRO 73 2HG PRO 73 -4.377 4.868 -4.832 589 1HD PRO 73 1HD PRO 73 -6.813 4.583 -5.981 590 2HD PRO 73 2HD PRO 73 -6.153 3.399 -4.834 591 H ALA 74 H ALA 74 -7.774 6.875 -5.055 592 HA ALA 74 HA ALA 74 -7.660 9.549 -4.391 593 1HB ALA 74 1HB ALA 74 -9.944 8.727 -6.081 594 2HB ALA 74 2HB ALA 74 -8.694 9.939 -6.368 595 3HB ALA 74 3HB ALA 74 -8.337 8.229 -6.614 596 H GLN 75 H GLN 75 -10.382 7.308 -3.962 597 HA GLN 75 HA GLN 75 -11.814 9.365 -2.446 598 1HB GLN 75 1HB GLN 75 -12.807 7.819 -4.348 599 2HB GLN 75 2HB GLN 75 -12.989 6.681 -3.020 600 1HG GLN 75 1HG GLN 75 -15.026 7.739 -3.032 601 2HG GLN 75 2HG GLN 75 -14.144 8.657 -1.812 602 1HE2 GLN 75 1HE2 GLN 75 -15.797 8.761 -4.777 603 2HE2 GLN 75 2HE2 GLN 75 -15.540 10.432 -5.134 604 H LEU 76 H LEU 76 -9.454 7.723 -1.519 605 HA LEU 76 HA LEU 76 -10.727 6.515 0.848 606 1HB LEU 76 1HB LEU 76 -9.141 5.238 -0.928 607 2HB LEU 76 2HB LEU 76 -7.935 5.807 0.225 608 HG LEU 76 HG LEU 76 -8.620 3.525 0.719 609 1HD1 LEU 76 1HD1 LEU 76 -8.227 5.438 2.504 610 2HD1 LEU 76 2HD1 LEU 76 -8.682 3.801 2.977 611 3HD1 LEU 76 3HD1 LEU 76 -9.905 5.069 2.903 612 1HD2 LEU 76 1HD2 LEU 76 -10.953 3.870 -0.241 613 2HD2 LEU 76 2HD2 LEU 76 -11.374 4.562 1.326 614 3HD2 LEU 76 3HD2 LEU 76 -10.825 2.889 1.219 615 H GLU 77 H GLU 77 -8.465 8.829 -0.341 616 HA GLU 77 HA GLU 77 -7.265 10.474 0.675 617 1HB GLU 77 1HB GLU 77 -8.752 9.777 3.207 618 2HB GLU 77 2HB GLU 77 -8.000 11.311 2.793 619 1HG GLU 77 1HG GLU 77 -9.724 11.108 0.757 620 2HG GLU 77 2HG GLU 77 -10.604 10.192 1.979 621 H MET 78 H MET 78 -6.182 7.850 0.549 622 HA MET 78 HA MET 78 -4.678 7.625 3.061 623 1HB MET 78 1HB MET 78 -4.031 5.394 2.274 624 2HB MET 78 2HB MET 78 -5.780 5.576 2.313 625 1HG MET 78 1HG MET 78 -5.554 6.180 -0.178 626 2HG MET 78 2HG MET 78 -3.953 5.455 -0.049 627 1HE MET 78 1HE MET 78 -3.765 2.937 -0.944 628 2HE MET 78 2HE MET 78 -3.495 3.123 0.789 629 3HE MET 78 3HE MET 78 -4.467 1.779 0.187 630 H GLU 79 H GLU 79 -3.882 9.780 1.715 631 HA GLU 79 HA GLU 79 -1.398 8.944 0.367 632 1HB GLU 79 1HB GLU 79 -2.520 11.682 -0.025 633 2HB GLU 79 2HB GLU 79 -1.543 10.707 -1.114 634 1HG GLU 79 1HG GLU 79 -3.495 10.504 -2.208 635 2HG GLU 79 2HG GLU 79 -3.747 9.198 -1.051 636 H ASP 80 H ASP 80 -0.076 11.355 0.361 637 HA ASP 80 HA ASP 80 1.287 12.675 1.616 638 1HB ASP 80 1HB ASP 80 -1.146 13.265 2.532 639 2HB ASP 80 2HB ASP 80 -0.498 12.534 3.998 640 H GLU 81 H GLU 81 1.925 10.018 1.571 641 HA GLU 81 HA GLU 81 3.258 8.483 2.593 642 1HB GLU 81 1HB GLU 81 3.620 10.487 4.818 643 2HB GLU 81 2HB GLU 81 4.715 9.196 4.342 644 1HG GLU 81 1HG GLU 81 5.076 10.359 2.187 645 2HG GLU 81 2HG GLU 81 4.079 11.687 2.779 646 H ASP 82 H ASP 82 0.651 8.007 2.938 647 HA ASP 82 HA ASP 82 -0.104 7.747 5.687 648 1HB ASP 82 1HB ASP 82 -2.132 6.963 4.911 649 2HB ASP 82 2HB ASP 82 -1.588 7.893 3.518 650 H THR 83 H THR 83 -0.976 5.423 6.317 651 HA THR 83 HA THR 83 1.076 3.419 5.672 652 HB THR 83 HB THR 83 0.076 3.855 8.486 653 HG1 THR 83 1HG THR 83 1.742 5.179 8.830 654 1HG2 THR 83 1HG2 THR 83 1.200 1.992 8.967 655 2HG2 THR 83 2HG2 THR 83 2.664 2.639 8.225 656 3HG2 THR 83 3HG2 THR 83 1.489 1.764 7.243 657 H ILE 84 H ILE 84 0.031 1.767 4.786 658 HA ILE 84 HA ILE 84 -2.729 1.203 5.505 659 HB ILE 84 HB ILE 84 -1.036 -0.323 3.534 660 1HG1 ILE 84 1HG1 ILE 84 -2.545 1.289 1.973 661 2HG1 ILE 84 2HG1 ILE 84 -2.267 2.364 3.339 662 1HG2 ILE 84 1HG2 ILE 84 -2.885 -1.590 3.577 663 2HG2 ILE 84 2HG2 ILE 84 -3.846 -0.333 4.355 664 3HG2 ILE 84 3HG2 ILE 84 -3.597 -0.300 2.609 665 1HD1 ILE 84 1HD1 ILE 84 -0.301 2.874 2.475 666 2HD1 ILE 84 2HD1 ILE 84 0.214 1.205 2.719 667 3HD1 ILE 84 3HD1 ILE 84 -0.521 1.687 1.190 668 H ASP 85 H ASP 85 -3.397 -0.434 6.754 669 HA ASP 85 HA ASP 85 -1.355 -2.137 7.971 670 1HB ASP 85 1HB ASP 85 -4.037 -1.157 8.777 671 2HB ASP 85 2HB ASP 85 -3.584 -2.762 9.342 672 H VAL 86 H VAL 86 -1.270 -4.303 7.724 673 HA VAL 86 HA VAL 86 -3.457 -5.647 6.301 674 HB VAL 86 HB VAL 86 -0.538 -5.815 5.550 675 1HG1 VAL 86 1HG1 VAL 86 -0.994 -7.950 5.051 676 2HG1 VAL 86 2HG1 VAL 86 -2.737 -7.708 5.187 677 3HG1 VAL 86 3HG1 VAL 86 -1.900 -7.286 3.692 678 1HG2 VAL 86 1HG2 VAL 86 -1.002 -4.433 3.865 679 2HG2 VAL 86 2HG2 VAL 86 -2.451 -5.340 3.427 680 3HG2 VAL 86 3HG2 VAL 86 -2.532 -4.096 4.675 681 H PHE 87 H PHE 87 -3.918 -7.647 7.035 682 HA PHE 87 HA PHE 87 -2.348 -8.624 9.299 683 1HB PHE 87 1HB PHE 87 -4.988 -8.329 9.135 684 2HB PHE 87 2HB PHE 87 -4.881 -9.949 8.454 685 HD1 PHE 87 1HD PHE 87 -4.321 -7.901 11.445 686 HD2 PHE 87 2HD PHE 87 -4.301 -11.831 9.812 687 HE1 PHE 87 1HE PHE 87 -4.203 -8.841 13.716 688 HE2 PHE 87 2HE PHE 87 -4.184 -12.777 12.080 689 HZ PHE 87 HZ PHE 87 -4.136 -11.282 14.036 690 H GLN 88 H GLN 88 -1.483 -10.684 9.405 691 HA GLN 88 HA GLN 88 -1.556 -12.280 6.938 692 1HB GLN 88 1HB GLN 88 0.954 -11.915 8.564 693 2HB GLN 88 2HB GLN 88 0.791 -12.637 6.969 694 1HG GLN 88 1HG GLN 88 1.453 -10.663 6.192 695 2HG GLN 88 2HG GLN 88 -0.179 -10.112 6.569 696 1HE2 GLN 88 1HE2 GLN 88 3.151 -10.092 7.530 697 2HE2 GLN 88 2HE2 GLN 88 3.017 -8.841 8.715 698 H GLN 89 H GLN 89 0.014 -14.373 7.675 699 HA GLN 89 HA GLN 89 -0.661 -15.342 10.291 700 1HB GLN 89 1HB GLN 89 -2.244 -16.147 7.906 701 2HB GLN 89 2HB GLN 89 -1.812 -17.411 9.051 702 1HG GLN 89 1HG GLN 89 -2.771 -15.839 10.837 703 2HG GLN 89 2HG GLN 89 -3.510 -14.986 9.483 704 1HE2 GLN 89 1HE2 GLN 89 -4.895 -16.296 11.579 705 2HE2 GLN 89 2HE2 GLN 89 -5.813 -17.581 10.879 706 H GLN 90 H GLN 90 1.265 -16.160 10.794 707 HA GLN 90 HA GLN 90 2.725 -17.712 8.776 708 1HB GLN 90 1HB GLN 90 3.598 -16.323 11.302 709 2HB GLN 90 2HB GLN 90 4.630 -17.476 10.467 710 1HG GLN 90 1HG GLN 90 5.348 -15.444 9.644 711 2HG GLN 90 2HG GLN 90 4.235 -16.001 8.397 712 1HE2 GLN 90 1HE2 GLN 90 4.877 -13.638 10.806 713 2HE2 GLN 90 2HE2 GLN 90 3.527 -12.613 10.475 714 H THR 91 H THR 91 2.964 -19.846 8.962 715 HA THR 91 HA THR 91 1.839 -21.159 11.319 716 HB THR 91 HB THR 91 2.822 -22.731 8.985 717 HG1 THR 91 1HG THR 91 1.475 -21.819 7.639 718 1HG2 THR 91 1HG2 THR 91 0.419 -22.881 10.806 719 2HG2 THR 91 2HG2 THR 91 1.840 -23.925 10.830 720 3HG2 THR 91 3HG2 THR 91 0.723 -23.987 9.468 721 H GLY 92 H GLY 92 4.841 -20.917 9.486 722 1HA GLY 92 2HA GLY 92 6.265 -22.010 11.802 723 2HA GLY 92 3HA GLY 92 6.507 -22.794 10.247 724 H GLY 93 H GLY 93 5.975 -19.390 10.237 725 1HA GLY 93 2HA GLY 93 8.840 -19.000 9.642 726 2HA GLY 93 3HA GLY 93 7.540 -18.059 8.927 727 H VAL 94 H VAL 94 8.965 -16.273 9.684 728 HA VAL 94 HA VAL 94 8.118 -15.451 12.365 729 HB VAL 94 HB VAL 94 10.387 -16.337 12.637 730 1HG1 VAL 94 1HG1 VAL 94 11.129 -14.278 10.562 731 2HG1 VAL 94 2HG1 VAL 94 12.284 -15.179 11.547 732 3HG1 VAL 94 3HG1 VAL 94 11.245 -16.031 10.404 733 1HG2 VAL 94 1HG2 VAL 94 10.963 -13.470 12.855 734 2HG2 VAL 94 2HG2 VAL 94 9.427 -13.964 13.567 735 3HG2 VAL 94 3HG2 VAL 94 10.930 -14.719 14.099 736 H TYR 95 H TYR 95 7.710 -13.290 12.583 737 HA TYR 95 HA TYR 95 7.650 -11.753 10.107 738 1HB TYR 95 1HB TYR 95 6.257 -10.163 11.436 739 2HB TYR 95 2HB TYR 95 5.592 -11.791 11.362 740 HD1 TYR 95 1HD TYR 95 5.223 -13.049 13.333 741 HD2 TYR 95 2HD TYR 95 7.417 -9.409 13.529 742 HE1 TYR 95 1HE TYR 95 5.105 -13.117 15.789 743 HE2 TYR 95 2HE TYR 95 7.306 -9.468 15.986 744 HH TYR 95 HH TYR 95 7.007 -11.169 17.775 Start of MODEL 8 1 1H MET 1 1H MET 1 16.106 -20.678 -2.371 2 HA MET 1 HA MET 1 17.314 -19.094 -4.079 3 1HB MET 1 1HB MET 1 14.371 -19.454 -3.663 4 2HB MET 1 2HB MET 1 14.940 -18.363 -4.920 5 1HG MET 1 1HG MET 1 16.329 -20.299 -5.774 6 2HG MET 1 2HG MET 1 15.396 -21.318 -4.680 7 1HE MET 1 1HE MET 1 12.688 -22.347 -5.823 8 2HE MET 1 2HE MET 1 13.534 -22.698 -7.330 9 3HE MET 1 3HE MET 1 14.397 -22.785 -5.794 10 H ALA 2 H ALA 2 18.412 -17.396 -3.034 11 HA ALA 2 HA ALA 2 16.886 -15.230 -1.859 12 1HB ALA 2 1HB ALA 2 19.728 -14.749 -2.341 13 2HB ALA 2 2HB ALA 2 18.794 -14.642 -0.848 14 3HB ALA 2 3HB ALA 2 19.398 -16.204 -1.400 15 H ASP 3 H ASP 3 15.949 -13.763 -3.110 16 HA ASP 3 HA ASP 3 17.465 -12.534 -5.266 17 1HB ASP 3 1HB ASP 3 15.505 -12.748 -6.833 18 2HB ASP 3 2HB ASP 3 16.354 -14.256 -6.503 19 H GLU 4 H GLU 4 16.845 -10.435 -5.722 20 HA GLU 4 HA GLU 4 14.639 -9.350 -4.100 21 1HB GLU 4 1HB GLU 4 17.409 -8.220 -4.490 22 2HB GLU 4 2HB GLU 4 16.063 -7.257 -3.896 23 1HG GLU 4 1HG GLU 4 17.069 -7.899 -1.942 24 2HG GLU 4 2HG GLU 4 15.836 -9.145 -2.128 25 H LYS 5 H LYS 5 13.860 -7.217 -4.892 26 HA LYS 5 HA LYS 5 14.390 -6.603 -7.676 27 1HB LYS 5 1HB LYS 5 11.655 -7.489 -6.741 28 2HB LYS 5 2HB LYS 5 11.988 -6.750 -8.301 29 1HG LYS 5 1HG LYS 5 13.449 -8.629 -8.874 30 2HG LYS 5 2HG LYS 5 13.091 -9.374 -7.314 31 1HD LYS 5 1HD LYS 5 10.747 -9.556 -7.905 32 2HD LYS 5 2HD LYS 5 11.040 -8.715 -9.429 33 1HE LYS 5 1HE LYS 5 12.448 -11.271 -8.712 34 2HE LYS 5 2HE LYS 5 10.874 -11.259 -9.507 35 1HZ LYS 5 1HZ LYS 5 11.927 -11.012 -11.422 36 2HZ LYS 5 2HZ LYS 5 13.426 -10.901 -10.647 37 3HZ LYS 5 3HZ LYS 5 12.506 -9.506 -10.911 38 HA PRO 6 HA PRO 6 13.391 -2.992 -4.905 39 1HB PRO 6 1HB PRO 6 15.610 -1.568 -5.552 40 2HB PRO 6 2HB PRO 6 15.581 -2.761 -4.249 41 1HG PRO 6 1HG PRO 6 16.589 -3.043 -7.053 42 2HG PRO 6 2HG PRO 6 17.317 -3.613 -5.540 43 1HD PRO 6 1HD PRO 6 15.933 -5.247 -7.197 44 2HD PRO 6 2HD PRO 6 15.952 -5.468 -5.436 45 H LYS 7 H LYS 7 11.945 -1.668 -5.788 46 HA LYS 7 HA LYS 7 12.479 -0.588 -8.478 47 1HB LYS 7 1HB LYS 7 9.805 -1.308 -7.264 48 2HB LYS 7 2HB LYS 7 10.028 -0.526 -8.823 49 1HG LYS 7 1HG LYS 7 11.446 -2.576 -9.426 50 2HG LYS 7 2HG LYS 7 10.699 -3.330 -8.016 51 1HD LYS 7 1HD LYS 7 8.545 -3.184 -8.946 52 2HD LYS 7 2HD LYS 7 9.061 -2.018 -10.167 53 1HE LYS 7 1HE LYS 7 8.765 -4.134 -11.239 54 2HE LYS 7 2HE LYS 7 10.494 -3.800 -11.160 55 1HZ LYS 7 1HZ LYS 7 10.198 -5.155 -8.916 56 2HZ LYS 7 2HZ LYS 7 10.518 -5.910 -10.396 57 3HZ LYS 7 3HZ LYS 7 8.935 -5.852 -9.801 58 H GLU 8 H GLU 8 11.198 -0.006 -5.263 59 HA GLU 8 HA GLU 8 10.669 2.790 -5.844 60 1HB GLU 8 1HB GLU 8 10.263 1.020 -3.456 61 2HB GLU 8 2HB GLU 8 10.183 2.768 -3.286 62 1HG GLU 8 1HG GLU 8 7.977 1.736 -3.588 63 2HG GLU 8 2HG GLU 8 8.371 2.889 -4.863 64 H GLY 9 H GLY 9 11.619 4.517 -4.571 65 1HA GLY 9 2HA GLY 9 13.849 4.197 -2.896 66 2HA GLY 9 3HA GLY 9 14.428 4.424 -4.540 67 H VAL 10 H VAL 10 13.135 6.316 -5.677 68 HA VAL 10 HA VAL 10 12.756 8.543 -3.814 69 HB VAL 10 HB VAL 10 14.165 10.037 -5.105 70 1HG1 VAL 10 1HG1 VAL 10 16.331 9.175 -4.483 71 2HG1 VAL 10 2HG1 VAL 10 15.153 8.741 -3.243 72 3HG1 VAL 10 3HG1 VAL 10 15.694 7.532 -4.409 73 1HG2 VAL 10 1HG2 VAL 10 15.683 9.056 -6.854 74 2HG2 VAL 10 2HG2 VAL 10 14.675 7.610 -6.815 75 3HG2 VAL 10 3HG2 VAL 10 13.981 9.155 -7.306 76 H LYS 11 H LYS 11 11.188 9.939 -4.409 77 HA LYS 11 HA LYS 11 10.225 9.937 -7.167 78 1HB LYS 11 1HB LYS 11 8.459 9.396 -4.773 79 2HB LYS 11 2HB LYS 11 7.874 9.716 -6.400 80 1HG LYS 11 1HG LYS 11 9.738 7.444 -5.799 81 2HG LYS 11 2HG LYS 11 7.986 7.291 -5.655 82 1HD LYS 11 1HD LYS 11 9.273 8.315 -8.167 83 2HD LYS 11 2HD LYS 11 9.081 6.586 -7.868 84 1HE LYS 11 1HE LYS 11 6.786 8.522 -7.702 85 2HE LYS 11 2HE LYS 11 7.250 7.733 -9.209 86 1HZ LYS 11 1HZ LYS 11 6.636 5.672 -8.418 87 2HZ LYS 11 2HZ LYS 11 5.451 6.664 -7.732 88 3HZ LYS 11 3HZ LYS 11 6.749 6.125 -6.792 89 H THR 12 H THR 12 8.412 11.641 -7.385 90 HA THR 12 HA THR 12 8.656 13.856 -5.518 91 HB THR 12 HB THR 12 9.086 15.444 -7.478 92 HG1 THR 12 1HG THR 12 9.647 12.934 -8.643 93 1HG2 THR 12 1HG2 THR 12 11.360 15.455 -7.043 94 2HG2 THR 12 2HG2 THR 12 11.464 13.696 -6.985 95 3HG2 THR 12 3HG2 THR 12 10.733 14.581 -5.646 96 H GLU 13 H GLU 13 7.193 15.691 -6.162 97 HA GLU 13 HA GLU 13 5.044 15.047 -7.984 98 1HB GLU 13 1HB GLU 13 4.663 15.070 -5.001 99 2HB GLU 13 2HB GLU 13 3.340 15.460 -6.091 100 1HG GLU 13 1HG GLU 13 4.867 12.874 -5.939 101 2HG GLU 13 2HG GLU 13 3.189 13.155 -5.479 102 H ASN 14 H ASN 14 3.196 16.840 -7.490 103 HA ASN 14 HA ASN 14 4.634 19.407 -7.326 104 1HB ASN 14 1HB ASN 14 2.094 18.967 -8.888 105 2HB ASN 14 2HB ASN 14 3.234 20.304 -9.013 106 1HD2 ASN 14 1HD2 ASN 14 5.321 19.871 -9.928 107 2HD2 ASN 14 2HD2 ASN 14 5.506 18.599 -11.082 108 H ASN 15 H ASN 15 1.618 17.709 -6.625 109 HA ASN 15 HA ASN 15 0.501 19.934 -5.176 110 1HB ASN 15 1HB ASN 15 -0.736 18.013 -6.452 111 2HB ASN 15 2HB ASN 15 -0.524 17.124 -4.947 112 1HD2 ASN 15 1HD2 ASN 15 -2.332 17.145 -3.839 113 2HD2 ASN 15 2HD2 ASN 15 -3.378 18.502 -3.617 114 H ASP 16 H ASP 16 1.187 16.594 -4.128 115 HA ASP 16 HA ASP 16 2.545 17.577 -1.759 116 1HB ASP 16 1HB ASP 16 -0.205 16.534 -1.724 117 2HB ASP 16 2HB ASP 16 0.877 15.766 -0.565 118 H HIS 17 H HIS 17 3.143 15.577 -0.330 119 HA HIS 17 HA HIS 17 3.465 13.096 -1.748 120 1HB HIS 17 1HB HIS 17 6.002 13.183 -1.534 121 2HB HIS 17 2HB HIS 17 5.291 14.164 -2.813 122 HD1 HIS 17 1HD HIS 17 5.212 16.773 -2.375 123 HD2 HIS 17 2HD HIS 17 7.439 14.573 0.357 124 HE1 HIS 17 1HE HIS 17 6.623 18.454 -1.149 125 H ILE 18 H ILE 18 2.596 12.019 -0.036 126 HA ILE 18 HA ILE 18 3.770 12.406 2.617 127 HB ILE 18 HB ILE 18 1.909 11.269 3.527 128 1HG1 ILE 18 1HG1 ILE 18 1.219 10.443 0.699 129 2HG1 ILE 18 2HG1 ILE 18 1.820 9.388 1.974 130 1HG2 ILE 18 1HG2 ILE 18 -0.004 12.524 2.652 131 2HG2 ILE 18 2HG2 ILE 18 1.428 13.541 2.803 132 3HG2 ILE 18 3HG2 ILE 18 0.933 12.946 1.219 133 1HD1 ILE 18 1HD1 ILE 18 -0.515 9.036 1.782 134 2HD1 ILE 18 2HD1 ILE 18 -0.243 9.938 3.273 135 3HD1 ILE 18 3HD1 ILE 18 -0.845 10.767 1.838 136 H ASN 19 H ASN 19 3.735 10.180 3.903 137 HA ASN 19 HA ASN 19 5.241 8.245 2.268 138 1HB ASN 19 1HB ASN 19 6.326 9.672 4.260 139 2HB ASN 19 2HB ASN 19 5.672 8.340 5.209 140 1HD2 ASN 19 1HD2 ASN 19 6.342 6.185 4.661 141 2HD2 ASN 19 2HD2 ASN 19 7.895 5.925 3.949 142 H LEU 20 H LEU 20 4.800 6.085 2.494 143 HA LEU 20 HA LEU 20 2.850 5.238 4.494 144 1HB LEU 20 1HB LEU 20 1.842 5.928 2.159 145 2HB LEU 20 2HB LEU 20 2.414 4.328 1.691 146 HG LEU 20 HG LEU 20 1.017 3.333 3.456 147 1HD1 LEU 20 1HD1 LEU 20 0.088 4.527 5.080 148 2HD1 LEU 20 2HD1 LEU 20 -0.682 5.610 3.922 149 3HD1 LEU 20 3HD1 LEU 20 0.963 5.931 4.469 150 1HD2 LEU 20 1HD2 LEU 20 0.252 4.082 1.018 151 2HD2 LEU 20 2HD2 LEU 20 -0.879 5.051 1.962 152 3HD2 LEU 20 3HD2 LEU 20 -0.844 3.298 2.156 153 H LYS 21 H LYS 21 2.847 2.993 4.902 154 HA LYS 21 HA LYS 21 4.944 1.426 3.577 155 1HB LYS 21 1HB LYS 21 4.591 1.357 6.567 156 2HB LYS 21 2HB LYS 21 5.914 0.702 5.611 157 1HG LYS 21 1HG LYS 21 6.325 3.176 4.950 158 2HG LYS 21 2HG LYS 21 5.362 3.531 6.386 159 1HD LYS 21 1HD LYS 21 6.904 2.472 7.812 160 2HD LYS 21 2HD LYS 21 7.710 1.657 6.470 161 1HE LYS 21 1HE LYS 21 8.103 4.181 5.711 162 2HE LYS 21 2HE LYS 21 7.981 4.443 7.450 163 1HZ LYS 21 1HZ LYS 21 9.774 2.943 7.826 164 2HZ LYS 21 2HZ LYS 21 10.273 4.038 6.638 165 3HZ LYS 21 3HZ LYS 21 9.813 2.470 6.202 166 H VAL 22 H VAL 22 3.817 -0.163 2.652 167 HA VAL 22 HA VAL 22 1.481 -1.286 3.978 168 HB VAL 22 HB VAL 22 2.633 -2.104 1.314 169 1HG1 VAL 22 1HG1 VAL 22 1.062 -3.692 2.209 170 2HG1 VAL 22 2HG1 VAL 22 -0.097 -2.407 2.558 171 3HG1 VAL 22 3HG1 VAL 22 0.295 -2.813 0.886 172 1HG2 VAL 22 1HG2 VAL 22 0.881 -0.582 0.356 173 2HG2 VAL 22 2HG2 VAL 22 0.686 0.099 1.972 174 3HG2 VAL 22 3HG2 VAL 22 2.233 0.238 1.138 175 H ALA 23 H ALA 23 2.202 -2.541 5.650 176 HA ALA 23 HA ALA 23 3.838 -4.873 4.897 177 1HB ALA 23 1HB ALA 23 4.057 -4.229 7.703 178 2HB ALA 23 2HB ALA 23 5.325 -4.464 6.498 179 3HB ALA 23 3HB ALA 23 4.575 -2.880 6.691 180 H GLY 24 H GLY 24 2.708 -6.690 5.057 181 1HA GLY 24 2HA GLY 24 0.194 -6.806 6.411 182 2HA GLY 24 3HA GLY 24 1.019 -8.148 5.632 183 H GLN 25 H GLN 25 -0.380 -7.765 8.303 184 HA GLN 25 HA GLN 25 1.483 -7.893 10.387 185 1HB GLN 25 1HB GLN 25 -0.824 -7.521 10.898 186 2HB GLN 25 2HB GLN 25 -1.300 -9.031 10.132 187 1HG GLN 25 1HG GLN 25 -0.283 -10.314 11.865 188 2HG GLN 25 2HG GLN 25 0.449 -8.875 12.571 189 1HE2 GLN 25 1HE2 GLN 25 -2.033 -11.012 12.838 190 2HE2 GLN 25 2HE2 GLN 25 -3.136 -10.060 13.767 191 H ASP 26 H ASP 26 0.717 -10.162 7.957 192 HA ASP 26 HA ASP 26 1.513 -12.507 9.421 193 1HB ASP 26 1HB ASP 26 0.797 -11.935 6.563 194 2HB ASP 26 2HB ASP 26 1.556 -13.465 6.994 195 H GLY 27 H GLY 27 2.876 -11.243 6.382 196 1HA GLY 27 2HA GLY 27 5.523 -11.030 7.467 197 2HA GLY 27 3HA GLY 27 5.319 -12.477 6.491 198 H SER 28 H SER 28 4.303 -9.067 6.213 199 HA SER 28 HA SER 28 5.681 -8.946 3.625 200 1HB SER 28 1HB SER 28 2.776 -8.504 4.158 201 2HB SER 28 2HB SER 28 3.568 -7.478 2.963 202 HG SER 28 HG SER 28 4.270 -9.434 1.930 203 H VAL 29 H VAL 29 6.260 -6.829 2.943 204 HA VAL 29 HA VAL 29 5.728 -4.526 4.538 205 HB VAL 29 HB VAL 29 7.312 -5.507 6.068 206 1HG1 VAL 29 1HG1 VAL 29 8.386 -6.972 4.323 207 2HG1 VAL 29 2HG1 VAL 29 9.344 -5.568 3.848 208 3HG1 VAL 29 3HG1 VAL 29 9.493 -6.228 5.477 209 1HG2 VAL 29 1HG2 VAL 29 7.554 -2.994 4.939 210 2HG2 VAL 29 2HG2 VAL 29 8.284 -3.535 6.450 211 3HG2 VAL 29 3HG2 VAL 29 9.205 -3.614 4.949 212 H VAL 30 H VAL 30 5.668 -2.939 3.102 213 HA VAL 30 HA VAL 30 7.787 -2.709 1.106 214 HB VAL 30 HB VAL 30 4.883 -2.525 0.306 215 1HG1 VAL 30 1HG1 VAL 30 7.491 -2.301 -1.159 216 2HG1 VAL 30 2HG1 VAL 30 5.998 -2.726 -1.998 217 3HG1 VAL 30 3HG1 VAL 30 6.125 -1.185 -1.148 218 1HG2 VAL 30 1HG2 VAL 30 6.831 -4.768 -0.217 219 2HG2 VAL 30 2HG2 VAL 30 5.461 -4.836 0.891 220 3HG2 VAL 30 3HG2 VAL 30 5.186 -4.652 -0.841 221 H GLN 31 H GLN 31 8.137 -0.610 0.360 222 HA GLN 31 HA GLN 31 6.721 1.478 1.879 223 1HB GLN 31 1HB GLN 31 9.546 1.434 0.809 224 2HB GLN 31 2HB GLN 31 8.789 2.841 1.544 225 1HG GLN 31 1HG GLN 31 8.692 1.819 3.656 226 2HG GLN 31 2HG GLN 31 9.031 0.224 2.987 227 1HE2 GLN 31 1HE2 GLN 31 10.692 0.165 4.638 228 2HE2 GLN 31 2HE2 GLN 31 12.225 0.895 4.321 229 H PHE 32 H PHE 32 5.931 3.261 0.836 230 HA PHE 32 HA PHE 32 6.473 3.659 -1.987 231 1HB PHE 32 1HB PHE 32 4.078 2.336 -1.041 232 2HB PHE 32 2HB PHE 32 3.679 3.833 -1.879 233 HD1 PHE 32 1HD PHE 32 4.140 4.103 -4.234 234 HD2 PHE 32 2HD PHE 32 5.115 0.491 -2.206 235 HE1 PHE 32 1HE PHE 32 4.430 2.970 -6.399 236 HE2 PHE 32 2HE PHE 32 5.409 -0.648 -4.367 237 HZ PHE 32 HZ PHE 32 5.067 0.592 -6.468 238 H LYS 33 H LYS 33 5.712 5.700 -2.783 239 HA LYS 33 HA LYS 33 4.851 7.593 -0.706 240 1HB LYS 33 1HB LYS 33 6.946 8.267 -2.769 241 2HB LYS 33 2HB LYS 33 6.460 9.222 -1.375 242 1HG LYS 33 1HG LYS 33 7.329 7.319 0.054 243 2HG LYS 33 2HG LYS 33 8.060 6.683 -1.421 244 1HD LYS 33 1HD LYS 33 9.069 9.052 -1.662 245 2HD LYS 33 2HD LYS 33 8.671 9.223 0.050 246 1HE LYS 33 1HE LYS 33 10.444 7.126 -1.198 247 2HE LYS 33 2HE LYS 33 10.957 8.475 -0.186 248 1HZ LYS 33 1HZ LYS 33 9.425 7.440 1.554 249 2HZ LYS 33 2HZ LYS 33 10.902 6.673 1.254 250 3HZ LYS 33 3HZ LYS 33 9.475 6.045 0.598 251 H ILE 34 H ILE 34 3.384 9.092 -1.346 252 HA ILE 34 HA ILE 34 2.943 9.708 -4.122 253 HB ILE 34 HB ILE 34 1.697 7.480 -3.536 254 1HG1 ILE 34 1HG1 ILE 34 -0.150 9.445 -4.783 255 2HG1 ILE 34 2HG1 ILE 34 1.448 9.289 -5.504 256 1HG2 ILE 34 1HG2 ILE 34 -0.489 9.327 -2.698 257 2HG2 ILE 34 2HG2 ILE 34 -0.301 7.599 -2.405 258 3HG2 ILE 34 3HG2 ILE 34 0.671 8.757 -1.499 259 1HD1 ILE 34 1HD1 ILE 34 1.098 6.979 -5.952 260 2HD1 ILE 34 2HD1 ILE 34 -0.399 6.970 -5.019 261 3HD1 ILE 34 3HD1 ILE 34 -0.311 7.866 -6.535 262 H LYS 35 H LYS 35 1.051 11.226 -4.374 263 HA LYS 35 HA LYS 35 1.283 13.332 -2.495 264 1HB LYS 35 1HB LYS 35 -0.470 14.436 -3.841 265 2HB LYS 35 2HB LYS 35 0.832 13.794 -4.834 266 1HG LYS 35 1HG LYS 35 -0.537 11.885 -5.439 267 2HG LYS 35 2HG LYS 35 -1.835 12.466 -4.393 268 1HD LYS 35 1HD LYS 35 -2.570 13.893 -5.947 269 2HD LYS 35 2HD LYS 35 -0.942 14.495 -6.270 270 1HE LYS 35 1HE LYS 35 -1.195 13.508 -8.267 271 2HE LYS 35 2HE LYS 35 -0.849 12.015 -7.395 272 1HZ LYS 35 1HZ LYS 35 -2.820 11.317 -8.098 273 2HZ LYS 35 2HZ LYS 35 -3.266 12.851 -8.654 274 3HZ LYS 35 3HZ LYS 35 -3.531 12.428 -7.038 275 H ARG 36 H ARG 36 -1.101 14.404 -1.989 276 HA ARG 36 HA ARG 36 -2.202 12.592 -0.013 277 1HB ARG 36 1HB ARG 36 -2.274 15.511 -0.518 278 2HB ARG 36 2HB ARG 36 -3.686 14.823 0.272 279 1HG ARG 36 1HG ARG 36 -1.823 13.699 1.787 280 2HG ARG 36 2HG ARG 36 -0.910 15.114 1.259 281 1HD ARG 36 1HD ARG 36 -3.610 15.136 2.605 282 2HD ARG 36 2HD ARG 36 -2.071 15.551 3.358 283 HE ARG 36 HE ARG 36 -2.584 17.142 1.051 284 1HH1 ARG 36 2HH1 ARG 36 -3.374 16.767 4.420 285 2HH1 ARG 36 1HH1 ARG 36 -3.759 18.440 4.651 286 1HH2 ARG 36 2HH2 ARG 36 -3.088 19.347 1.341 287 2HH2 ARG 36 1HH2 ARG 36 -3.597 19.907 2.898 288 H HIS 37 H HIS 37 -3.229 14.236 -2.956 289 HA HIS 37 HA HIS 37 -5.827 12.874 -2.796 290 1HB HIS 37 1HB HIS 37 -5.891 15.322 -3.104 291 2HB HIS 37 2HB HIS 37 -4.963 15.152 -4.591 292 HD1 HIS 37 1HD HIS 37 -6.364 15.190 -6.616 293 HD2 HIS 37 2HD HIS 37 -8.438 13.687 -3.345 294 HE1 HIS 37 1HE HIS 37 -8.689 14.719 -7.452 295 H THR 38 H THR 38 -4.402 10.926 -3.346 296 HA THR 38 HA THR 38 -4.090 10.720 -6.270 297 HB THR 38 HB THR 38 -2.104 10.324 -4.512 298 HG1 THR 38 1HG THR 38 -1.518 10.148 -6.577 299 1HG2 THR 38 1HG2 THR 38 -3.203 7.546 -4.928 300 2HG2 THR 38 2HG2 THR 38 -3.409 8.460 -3.434 301 3HG2 THR 38 3HG2 THR 38 -1.792 8.019 -3.983 302 HA PRO 39 HA PRO 39 -7.312 7.720 -6.319 303 1HB PRO 39 1HB PRO 39 -6.646 6.407 -8.600 304 2HB PRO 39 2HB PRO 39 -7.358 8.025 -8.595 305 1HG PRO 39 1HG PRO 39 -4.491 7.217 -8.893 306 2HG PRO 39 2HG PRO 39 -5.406 8.444 -9.789 307 1HD PRO 39 1HD PRO 39 -3.723 9.073 -7.763 308 2HD PRO 39 2HD PRO 39 -5.189 10.011 -8.113 309 H LEU 40 H LEU 40 -7.177 6.215 -4.743 310 HA LEU 40 HA LEU 40 -5.069 4.567 -4.103 311 1HB LEU 40 1HB LEU 40 -8.024 4.332 -3.741 312 2HB LEU 40 2HB LEU 40 -6.982 2.987 -3.281 313 HG LEU 40 HG LEU 40 -6.834 5.789 -2.169 314 1HD1 LEU 40 1HD1 LEU 40 -8.804 4.188 -1.578 315 2HD1 LEU 40 2HD1 LEU 40 -7.957 5.059 -0.300 316 3HD1 LEU 40 3HD1 LEU 40 -7.586 3.362 -0.605 317 1HD2 LEU 40 1HD2 LEU 40 -5.474 4.099 -0.484 318 2HD2 LEU 40 2HD2 LEU 40 -4.743 5.200 -1.652 319 3HD2 LEU 40 3HD2 LEU 40 -5.019 3.511 -2.084 320 H SER 41 H SER 41 -7.424 4.207 -6.646 321 HA SER 41 HA SER 41 -7.264 1.522 -7.241 322 1HB SER 41 1HB SER 41 -7.290 3.682 -9.352 323 2HB SER 41 2HB SER 41 -7.993 2.068 -9.448 324 HG SER 41 HG SER 41 -9.498 3.825 -8.995 325 H LYS 42 H LYS 42 -5.113 4.118 -8.363 326 HA LYS 42 HA LYS 42 -3.446 2.680 -10.019 327 1HB LYS 42 1HB LYS 42 -1.856 4.407 -9.762 328 2HB LYS 42 2HB LYS 42 -3.420 5.178 -9.531 329 1HG LYS 42 1HG LYS 42 -2.383 6.083 -7.752 330 2HG LYS 42 2HG LYS 42 -2.852 4.564 -6.986 331 1HD LYS 42 1HD LYS 42 -0.599 4.744 -6.449 332 2HD LYS 42 2HD LYS 42 -0.583 3.690 -7.866 333 1HE LYS 42 1HE LYS 42 -0.388 6.609 -8.340 334 2HE LYS 42 2HE LYS 42 1.014 5.816 -7.624 335 1HZ LYS 42 1HZ LYS 42 0.592 4.132 -9.562 336 2HZ LYS 42 2HZ LYS 42 1.461 5.558 -9.830 337 3HZ LYS 42 3HZ LYS 42 -0.166 5.462 -10.283 338 H LEU 43 H LEU 43 -3.612 2.667 -6.541 339 HA LEU 43 HA LEU 43 -1.089 1.398 -6.110 340 1HB LEU 43 1HB LEU 43 -2.699 2.737 -4.494 341 2HB LEU 43 2HB LEU 43 -3.319 1.121 -4.163 342 HG LEU 43 HG LEU 43 -1.725 1.650 -2.477 343 1HD1 LEU 43 1HD1 LEU 43 -0.100 -0.066 -4.300 344 2HD1 LEU 43 2HD1 LEU 43 -1.671 -0.630 -3.731 345 3HD1 LEU 43 3HD1 LEU 43 -0.404 -0.234 -2.570 346 1HD2 LEU 43 1HD2 LEU 43 0.667 1.894 -4.078 347 2HD2 LEU 43 2HD2 LEU 43 0.058 2.941 -2.795 348 3HD2 LEU 43 3HD2 LEU 43 -0.494 3.167 -4.456 349 H MET 44 H MET 44 -4.408 0.166 -5.641 350 HA MET 44 HA MET 44 -3.773 -2.505 -5.328 351 1HB MET 44 1HB MET 44 -6.106 -2.952 -6.157 352 2HB MET 44 2HB MET 44 -5.994 -1.774 -4.856 353 1HG MET 44 1HG MET 44 -6.121 0.030 -6.556 354 2HG MET 44 2HG MET 44 -6.393 -1.207 -7.782 355 1HE MET 44 1HE MET 44 -9.125 -3.145 -6.619 356 2HE MET 44 2HE MET 44 -9.709 -2.078 -7.897 357 3HE MET 44 3HE MET 44 -8.057 -2.696 -7.948 358 H LYS 45 H LYS 45 -4.496 -0.750 -8.329 359 HA LYS 45 HA LYS 45 -4.460 -2.832 -10.133 360 1HB LYS 45 1HB LYS 45 -4.965 -0.416 -10.619 361 2HB LYS 45 2HB LYS 45 -3.232 -0.117 -10.629 362 1HG LYS 45 1HG LYS 45 -3.078 -1.877 -12.442 363 2HG LYS 45 2HG LYS 45 -4.838 -1.789 -12.536 364 1HD LYS 45 1HD LYS 45 -4.815 0.387 -13.333 365 2HD LYS 45 2HD LYS 45 -3.201 0.710 -12.697 366 1HE LYS 45 1HE LYS 45 -2.230 -0.758 -14.378 367 2HE LYS 45 2HE LYS 45 -3.837 -1.145 -14.990 368 1HZ LYS 45 1HZ LYS 45 -2.176 1.067 -15.608 369 2HZ LYS 45 2HZ LYS 45 -3.661 1.607 -15.007 370 3HZ LYS 45 3HZ LYS 45 -3.617 0.576 -16.347 371 H ALA 46 H ALA 46 -1.679 -0.899 -9.033 372 HA ALA 46 HA ALA 46 0.250 -2.371 -10.495 373 1HB ALA 46 1HB ALA 46 1.813 -0.993 -9.555 374 2HB ALA 46 2HB ALA 46 0.363 -0.015 -9.321 375 3HB ALA 46 3HB ALA 46 1.009 -0.968 -7.985 376 H TYR 47 H TYR 47 -0.990 -2.617 -7.197 377 HA TYR 47 HA TYR 47 0.795 -4.380 -6.076 378 1HB TYR 47 1HB TYR 47 -1.691 -3.358 -5.385 379 2HB TYR 47 2HB TYR 47 -1.954 -5.098 -5.428 380 HD1 TYR 47 1HD TYR 47 -1.783 -2.922 -3.076 381 HD2 TYR 47 2HD TYR 47 0.764 -6.004 -4.529 382 HE1 TYR 47 1HE TYR 47 -0.766 -3.124 -0.846 383 HE2 TYR 47 2HE TYR 47 1.788 -6.216 -2.303 384 HH TYR 47 HH TYR 47 1.895 -5.395 -0.240 385 H CYS 48 H CYS 48 -2.328 -5.465 -7.406 386 HA CYS 48 HA CYS 48 -1.752 -8.158 -7.531 387 1HB CYS 48 1HB CYS 48 -4.000 -7.479 -7.873 388 2HB CYS 48 2HB CYS 48 -3.561 -6.446 -9.228 389 HG CYS 48 HG CYS 48 -4.132 -9.763 -9.161 390 H GLU 49 H GLU 49 -0.969 -5.624 -9.839 391 HA GLU 49 HA GLU 49 -0.233 -7.099 -12.047 392 1HB GLU 49 1HB GLU 49 -0.172 -4.494 -11.496 393 2HB GLU 49 2HB GLU 49 1.536 -4.837 -11.257 394 1HG GLU 49 1HG GLU 49 1.318 -6.006 -13.585 395 2HG GLU 49 2HG GLU 49 -0.093 -4.962 -13.744 396 H ARG 50 H ARG 50 1.505 -6.618 -9.042 397 HA ARG 50 HA ARG 50 3.757 -8.195 -10.072 398 1HB ARG 50 1HB ARG 50 5.018 -7.382 -8.167 399 2HB ARG 50 2HB ARG 50 4.288 -6.025 -9.014 400 1HG ARG 50 1HG ARG 50 2.945 -5.486 -7.282 401 2HG ARG 50 2HG ARG 50 2.732 -7.165 -6.782 402 1HD ARG 50 1HD ARG 50 4.179 -6.779 -5.139 403 2HD ARG 50 2HD ARG 50 5.435 -6.614 -6.365 404 HE ARG 50 HE ARG 50 4.175 -4.497 -4.866 405 1HH1 ARG 50 2HH1 ARG 50 5.982 -5.335 -7.721 406 2HH1 ARG 50 1HH1 ARG 50 6.618 -3.739 -7.945 407 1HH2 ARG 50 2HH2 ARG 50 5.006 -2.392 -5.150 408 2HH2 ARG 50 1HH2 ARG 50 6.063 -2.066 -6.482 409 H GLN 51 H GLN 51 1.037 -8.342 -7.993 410 HA GLN 51 HA GLN 51 1.792 -11.056 -7.209 411 1HB GLN 51 1HB GLN 51 0.928 -10.623 -4.898 412 2HB GLN 51 2HB GLN 51 2.430 -9.791 -5.280 413 1HG GLN 51 1HG GLN 51 1.508 -7.758 -5.085 414 2HG GLN 51 2HG GLN 51 -0.006 -8.257 -5.837 415 1HE2 GLN 51 1HE2 GLN 51 1.717 -9.384 -2.952 416 2HE2 GLN 51 2HE2 GLN 51 0.407 -9.122 -1.856 417 H GLY 52 H GLY 52 0.185 -11.135 -9.105 418 1HA GLY 52 2HA GLY 52 -2.587 -10.725 -8.286 419 2HA GLY 52 3HA GLY 52 -2.032 -11.181 -9.890 420 H LEU 53 H LEU 53 -1.913 -12.518 -6.583 421 HA LEU 53 HA LEU 53 -2.582 -15.143 -7.739 422 1HB LEU 53 1HB LEU 53 -1.687 -15.888 -5.390 423 2HB LEU 53 2HB LEU 53 -0.582 -15.540 -6.719 424 HG LEU 53 HG LEU 53 -0.250 -13.263 -5.744 425 1HD1 LEU 53 1HD1 LEU 53 -2.044 -12.777 -4.398 426 2HD1 LEU 53 2HD1 LEU 53 -0.850 -13.274 -3.200 427 3HD1 LEU 53 3HD1 LEU 53 -2.108 -14.399 -3.709 428 1HD2 LEU 53 1HD2 LEU 53 1.576 -14.208 -4.915 429 2HD2 LEU 53 2HD2 LEU 53 0.769 -15.776 -4.882 430 3HD2 LEU 53 3HD2 LEU 53 0.667 -14.702 -3.486 431 H SER 54 H SER 54 -3.592 -12.660 -5.595 432 HA SER 54 HA SER 54 -6.081 -14.046 -5.103 433 1HB SER 54 1HB SER 54 -5.937 -13.677 -2.620 434 2HB SER 54 2HB SER 54 -4.829 -14.903 -3.234 435 HG SER 54 HG SER 54 -3.848 -13.406 -1.760 436 H MET 55 H MET 55 -6.743 -12.251 -6.443 437 HA MET 55 HA MET 55 -6.420 -9.555 -5.629 438 1HB MET 55 1HB MET 55 -8.019 -9.015 -7.347 439 2HB MET 55 2HB MET 55 -6.949 -10.272 -7.953 440 1HG MET 55 1HG MET 55 -8.717 -11.938 -7.316 441 2HG MET 55 2HG MET 55 -9.783 -10.570 -7.006 442 1HE MET 55 1HE MET 55 -10.768 -9.202 -8.349 443 2HE MET 55 2HE MET 55 -9.990 -8.610 -9.817 444 3HE MET 55 3HE MET 55 -11.365 -9.709 -9.929 445 H ARG 56 H ARG 56 -8.604 -12.065 -4.714 446 HA ARG 56 HA ARG 56 -10.476 -10.192 -3.489 447 1HB ARG 56 1HB ARG 56 -10.518 -13.212 -3.641 448 2HB ARG 56 2HB ARG 56 -11.791 -12.215 -2.949 449 1HG ARG 56 1HG ARG 56 -11.994 -11.114 -5.208 450 2HG ARG 56 2HG ARG 56 -10.934 -12.384 -5.822 451 1HD ARG 56 1HD ARG 56 -13.132 -13.126 -6.242 452 2HD ARG 56 2HD ARG 56 -12.577 -14.041 -4.841 453 HE ARG 56 HE ARG 56 -13.869 -11.832 -3.828 454 1HH1 ARG 56 2HH1 ARG 56 -14.689 -14.518 -5.885 455 2HH1 ARG 56 1HH1 ARG 56 -16.352 -14.552 -5.399 456 1HH2 ARG 56 2HH2 ARG 56 -16.056 -11.866 -3.180 457 2HH2 ARG 56 1HH2 ARG 56 -17.128 -13.042 -3.861 458 H GLN 57 H GLN 57 -7.606 -10.868 -2.599 459 HA GLN 57 HA GLN 57 -8.297 -11.248 0.232 460 1HB GLN 57 1HB GLN 57 -7.167 -13.255 -1.069 461 2HB GLN 57 2HB GLN 57 -5.704 -12.320 -0.787 462 1HG GLN 57 1HG GLN 57 -5.742 -12.670 1.459 463 2HG GLN 57 2HG GLN 57 -7.499 -12.807 1.521 464 1HE2 GLN 57 1HE2 GLN 57 -8.103 -14.743 2.138 465 2HE2 GLN 57 2HE2 GLN 57 -7.357 -16.238 1.698 466 H ILE 58 H ILE 58 -7.697 -8.884 -1.474 467 HA ILE 58 HA ILE 58 -5.355 -7.892 0.018 468 HB ILE 58 HB ILE 58 -6.276 -7.040 -2.730 469 1HG1 ILE 58 1HG1 ILE 58 -5.142 -9.239 -2.671 470 2HG1 ILE 58 2HG1 ILE 58 -4.192 -8.024 -3.521 471 1HG2 ILE 58 1HG2 ILE 58 -3.851 -5.930 -2.458 472 2HG2 ILE 58 2HG2 ILE 58 -5.348 -5.096 -2.044 473 3HG2 ILE 58 3HG2 ILE 58 -4.391 -5.871 -0.781 474 1HD1 ILE 58 1HD1 ILE 58 -3.747 -8.961 -0.697 475 2HD1 ILE 58 2HD1 ILE 58 -2.786 -9.399 -2.110 476 3HD1 ILE 58 3HD1 ILE 58 -2.801 -7.732 -1.536 477 H ARG 59 H ARG 59 -5.782 -6.324 1.416 478 HA ARG 59 HA ARG 59 -7.776 -4.304 0.820 479 1HB ARG 59 1HB ARG 59 -8.014 -6.151 3.199 480 2HB ARG 59 2HB ARG 59 -8.881 -4.627 3.056 481 1HG ARG 59 1HG ARG 59 -9.119 -6.926 1.126 482 2HG ARG 59 2HG ARG 59 -10.244 -6.584 2.442 483 1HD ARG 59 1HD ARG 59 -9.611 -4.745 0.136 484 2HD ARG 59 2HD ARG 59 -11.065 -5.729 0.297 485 HE ARG 59 HE ARG 59 -10.649 -3.969 2.520 486 1HH1 ARG 59 2HH1 ARG 59 -11.927 -4.216 -0.709 487 2HH1 ARG 59 1HH1 ARG 59 -13.046 -2.909 -0.506 488 1HH2 ARG 59 2HH2 ARG 59 -12.118 -2.247 2.799 489 2HH2 ARG 59 1HH2 ARG 59 -13.154 -1.790 1.490 490 H PHE 60 H PHE 60 -7.605 -2.437 2.150 491 HA PHE 60 HA PHE 60 -5.021 -2.259 3.549 492 1HB PHE 60 1HB PHE 60 -6.577 -0.318 1.888 493 2HB PHE 60 2HB PHE 60 -5.513 0.299 3.148 494 HD1 PHE 60 1HD PHE 60 -3.082 -0.699 3.125 495 HD2 PHE 60 2HD PHE 60 -5.719 -0.655 -0.216 496 HE1 PHE 60 1HE PHE 60 -1.157 -0.913 1.606 497 HE2 PHE 60 2HE PHE 60 -3.799 -0.869 -1.739 498 HZ PHE 60 HZ PHE 60 -1.515 -0.999 -0.829 499 H ARG 61 H ARG 61 -5.140 -2.176 5.684 500 HA ARG 61 HA ARG 61 -7.142 -0.514 6.973 501 1HB ARG 61 1HB ARG 61 -6.886 -3.456 7.624 502 2HB ARG 61 2HB ARG 61 -7.880 -2.296 8.495 503 1HG ARG 61 1HG ARG 61 -9.103 -1.902 6.322 504 2HG ARG 61 2HG ARG 61 -8.246 -3.311 5.693 505 1HD ARG 61 1HD ARG 61 -9.156 -4.434 7.889 506 2HD ARG 61 2HD ARG 61 -10.354 -3.144 7.794 507 HE ARG 61 HE ARG 61 -10.076 -4.510 5.311 508 1HH1 ARG 61 2HH1 ARG 61 -11.512 -4.732 8.474 509 2HH1 ARG 61 1HH1 ARG 61 -12.806 -5.762 7.957 510 1HH2 ARG 61 2HH2 ARG 61 -11.774 -5.866 4.618 511 2HH2 ARG 61 1HH2 ARG 61 -12.953 -6.408 5.764 512 H PHE 62 H PHE 62 -6.455 0.329 8.888 513 HA PHE 62 HA PHE 62 -3.801 -0.541 9.826 514 1HB PHE 62 1HB PHE 62 -3.740 1.899 10.742 515 2HB PHE 62 2HB PHE 62 -3.420 1.613 9.034 516 HD1 PHE 62 1HD PHE 62 -5.097 2.180 7.344 517 HD2 PHE 62 2HD PHE 62 -5.689 3.074 11.463 518 HE1 PHE 62 1HE PHE 62 -6.899 3.743 6.742 519 HE2 PHE 62 2HE PHE 62 -7.493 4.637 10.868 520 HZ PHE 62 HZ PHE 62 -8.101 4.973 8.505 521 H ASP 63 H ASP 63 -3.448 0.345 12.183 522 HA ASP 63 HA ASP 63 -5.386 -0.988 13.815 523 1HB ASP 63 1HB ASP 63 -2.890 -0.939 14.233 524 2HB ASP 63 2HB ASP 63 -3.088 0.730 14.760 525 H GLY 64 H GLY 64 -7.077 0.611 12.892 526 1HA GLY 64 2HA GLY 64 -7.871 2.315 15.021 527 2HA GLY 64 3HA GLY 64 -7.250 3.265 13.679 528 H GLN 65 H GLN 65 -8.182 1.572 11.583 529 HA GLN 65 HA GLN 65 -10.893 0.939 11.720 530 1HB GLN 65 1HB GLN 65 -11.707 2.968 10.335 531 2HB GLN 65 2HB GLN 65 -11.544 3.146 12.077 532 1HG GLN 65 1HG GLN 65 -9.350 4.207 11.738 533 2HG GLN 65 2HG GLN 65 -9.585 4.084 9.995 534 1HE2 GLN 65 1HE2 GLN 65 -10.464 5.734 12.897 535 2HE2 GLN 65 2HE2 GLN 65 -11.371 7.003 12.154 536 HA PRO 66 HA PRO 66 -10.009 -0.648 7.728 537 1HB PRO 66 1HB PRO 66 -12.462 -0.643 6.565 538 2HB PRO 66 2HB PRO 66 -12.010 -1.772 7.847 539 1HG PRO 66 1HG PRO 66 -13.578 0.771 8.030 540 2HG PRO 66 2HG PRO 66 -13.882 -0.790 8.815 541 1HD PRO 66 1HD PRO 66 -12.726 1.290 10.107 542 2HD PRO 66 2HD PRO 66 -12.328 -0.401 10.472 543 H ILE 67 H ILE 67 -10.788 -0.207 5.286 544 HA ILE 67 HA ILE 67 -10.860 2.674 4.773 545 HB ILE 67 HB ILE 67 -8.867 0.869 3.405 546 1HG1 ILE 67 1HG1 ILE 67 -8.405 2.913 5.588 547 2HG1 ILE 67 2HG1 ILE 67 -8.273 1.168 5.773 548 1HG2 ILE 67 1HG2 ILE 67 -9.576 2.722 2.034 549 2HG2 ILE 67 2HG2 ILE 67 -9.285 3.853 3.355 550 3HG2 ILE 67 3HG2 ILE 67 -7.931 3.012 2.601 551 1HD1 ILE 67 1HD1 ILE 67 -6.306 3.036 4.924 552 2HD1 ILE 67 2HD1 ILE 67 -6.145 1.302 5.207 553 3HD1 ILE 67 3HD1 ILE 67 -6.616 1.896 3.615 554 H ASN 68 H ASN 68 -11.699 3.256 2.753 555 HA ASN 68 HA ASN 68 -13.366 1.203 1.538 556 1HB ASN 68 1HB ASN 68 -13.333 4.073 0.663 557 2HB ASN 68 2HB ASN 68 -14.674 2.930 0.674 558 1HD2 ASN 68 1HD2 ASN 68 -13.999 5.683 1.910 559 2HD2 ASN 68 2HD2 ASN 68 -14.564 5.522 3.535 560 H GLU 69 H GLU 69 -13.668 2.046 -1.022 561 HA GLU 69 HA GLU 69 -11.056 1.389 -2.177 562 1HB GLU 69 1HB GLU 69 -12.230 0.622 -4.113 563 2HB GLU 69 2HB GLU 69 -13.049 -0.036 -2.703 564 1HG GLU 69 1HG GLU 69 -14.670 1.881 -2.894 565 2HG GLU 69 2HG GLU 69 -13.931 2.239 -4.453 566 H THR 70 H THR 70 -13.396 3.912 -1.968 567 HA THR 70 HA THR 70 -11.916 5.466 -3.991 568 HB THR 70 HB THR 70 -14.271 5.100 -4.609 569 HG1 THR 70 1HG THR 70 -13.182 7.111 -5.120 570 1HG2 THR 70 1HG2 THR 70 -14.760 5.467 -1.893 571 2HG2 THR 70 2HG2 THR 70 -15.966 5.292 -3.168 572 3HG2 THR 70 3HG2 THR 70 -15.441 6.898 -2.664 573 H ASP 71 H ASP 71 -11.013 5.233 -1.323 574 HA ASP 71 HA ASP 71 -11.659 7.864 -0.177 575 1HB ASP 71 1HB ASP 71 -11.775 5.558 1.126 576 2HB ASP 71 2HB ASP 71 -10.047 5.842 1.316 577 H THR 72 H THR 72 -9.715 8.830 1.057 578 HA THR 72 HA THR 72 -7.195 8.414 -0.372 579 HB THR 72 HB THR 72 -7.050 11.055 -0.319 580 HG1 THR 72 1HG THR 72 -8.926 11.887 0.193 581 1HG2 THR 72 1HG2 THR 72 -7.208 10.960 -2.581 582 2HG2 THR 72 2HG2 THR 72 -8.757 10.117 -2.545 583 3HG2 THR 72 3HG2 THR 72 -7.260 9.224 -2.276 584 HA PRO 73 HA PRO 73 -5.286 9.053 3.528 585 1HB PRO 73 1HB PRO 73 -2.987 10.321 2.839 586 2HB PRO 73 2HB PRO 73 -3.277 8.610 2.505 587 1HG PRO 73 1HG PRO 73 -3.538 10.967 0.679 588 2HG PRO 73 2HG PRO 73 -2.832 9.373 0.354 589 1HD PRO 73 1HD PRO 73 -5.328 10.051 -0.447 590 2HD PRO 73 2HD PRO 73 -4.890 8.393 0.010 591 H ALA 74 H ALA 74 -6.248 11.704 1.616 592 HA ALA 74 HA ALA 74 -5.331 13.836 3.251 593 1HB ALA 74 1HB ALA 74 -6.860 15.227 1.993 594 2HB ALA 74 2HB ALA 74 -6.020 14.124 0.903 595 3HB ALA 74 3HB ALA 74 -7.689 13.800 1.371 596 H GLN 75 H GLN 75 -8.264 11.885 3.209 597 HA GLN 75 HA GLN 75 -9.184 13.299 5.623 598 1HB GLN 75 1HB GLN 75 -10.698 11.820 3.479 599 2HB GLN 75 2HB GLN 75 -11.422 12.211 5.033 600 1HG GLN 75 1HG GLN 75 -10.994 14.593 4.611 601 2HG GLN 75 2HG GLN 75 -10.333 14.176 3.031 602 1HE2 GLN 75 1HE2 GLN 75 -12.702 15.779 3.908 603 2HE2 GLN 75 2HE2 GLN 75 -14.030 15.119 3.022 604 H LEU 76 H LEU 76 -7.283 10.929 5.186 605 HA LEU 76 HA LEU 76 -8.663 9.048 6.987 606 1HB LEU 76 1HB LEU 76 -7.890 8.343 4.601 607 2HB LEU 76 2HB LEU 76 -6.291 8.280 5.339 608 HG LEU 76 HG LEU 76 -7.098 6.601 6.932 609 1HD1 LEU 76 1HD1 LEU 76 -9.691 6.983 5.462 610 2HD1 LEU 76 2HD1 LEU 76 -9.382 7.114 7.193 611 3HD1 LEU 76 3HD1 LEU 76 -9.333 5.536 6.406 612 1HD2 LEU 76 1HD2 LEU 76 -7.319 6.141 3.990 613 2HD2 LEU 76 2HD2 LEU 76 -7.696 4.832 5.110 614 3HD2 LEU 76 3HD2 LEU 76 -6.096 5.575 5.128 615 H GLU 77 H GLU 77 -5.940 11.096 6.508 616 HA GLU 77 HA GLU 77 -4.229 11.729 7.867 617 1HB GLU 77 1HB GLU 77 -5.628 10.195 10.058 618 2HB GLU 77 2HB GLU 77 -4.488 11.520 10.242 619 1HG GLU 77 1HG GLU 77 -6.339 12.772 8.793 620 2HG GLU 77 2HG GLU 77 -7.364 11.567 9.570 621 H MET 78 H MET 78 -3.750 9.543 6.290 622 HA MET 78 HA MET 78 -2.243 7.710 8.031 623 1HB MET 78 1HB MET 78 -2.238 6.176 6.065 624 2HB MET 78 2HB MET 78 -3.846 6.522 6.688 625 1HG MET 78 1HG MET 78 -4.388 7.881 4.876 626 2HG MET 78 2HG MET 78 -2.702 8.079 4.403 627 1HE MET 78 1HE MET 78 -5.680 7.106 3.310 628 2HE MET 78 2HE MET 78 -4.682 7.145 1.856 629 3HE MET 78 3HE MET 78 -5.532 5.666 2.303 630 H GLU 79 H GLU 79 -0.906 9.925 7.880 631 HA GLU 79 HA GLU 79 1.123 9.483 5.789 632 1HB GLU 79 1HB GLU 79 0.788 12.197 6.971 633 2HB GLU 79 2HB GLU 79 1.331 11.732 5.365 634 1HG GLU 79 1HG GLU 79 -0.969 11.153 4.760 635 2HG GLU 79 2HG GLU 79 -1.506 11.646 6.365 636 H ASP 80 H ASP 80 3.046 11.226 6.674 637 HA ASP 80 HA ASP 80 4.804 11.404 8.108 638 1HB ASP 80 1HB ASP 80 2.757 12.050 9.627 639 2HB ASP 80 2HB ASP 80 3.107 10.509 10.406 640 H GLU 81 H GLU 81 4.685 9.062 6.722 641 HA GLU 81 HA GLU 81 5.602 6.982 6.648 642 1HB GLU 81 1HB GLU 81 6.572 7.458 9.464 643 2HB GLU 81 2HB GLU 81 7.261 6.383 8.256 644 1HG GLU 81 1HG GLU 81 7.892 8.327 6.902 645 2HG GLU 81 2HG GLU 81 7.235 9.390 8.145 646 H ASP 82 H ASP 82 2.944 7.080 7.260 647 HA ASP 82 HA ASP 82 2.351 5.493 9.584 648 1HB ASP 82 1HB ASP 82 0.764 7.176 8.700 649 2HB ASP 82 2HB ASP 82 0.578 6.209 7.239 650 H THR 83 H THR 83 2.413 3.356 9.731 651 HA THR 83 HA THR 83 2.788 1.781 7.297 652 HB THR 83 HB THR 83 3.037 0.873 10.170 653 HG1 THR 83 1HG THR 83 4.934 1.794 10.140 654 1HG2 THR 83 1HG2 THR 83 3.281 -1.166 9.308 655 2HG2 THR 83 2HG2 THR 83 4.663 -0.595 8.373 656 3HG2 THR 83 3HG2 THR 83 3.042 -0.525 7.683 657 H ILE 84 H ILE 84 0.887 1.252 6.388 658 HA ILE 84 HA ILE 84 -1.386 0.514 8.048 659 HB ILE 84 HB ILE 84 -1.163 0.686 5.040 660 1HG1 ILE 84 1HG1 ILE 84 -2.371 2.609 7.041 661 2HG1 ILE 84 2HG1 ILE 84 -0.869 2.860 6.159 662 1HG2 ILE 84 1HG2 ILE 84 -3.579 0.375 6.818 663 2HG2 ILE 84 2HG2 ILE 84 -3.617 0.631 5.075 664 3HG2 ILE 84 3HG2 ILE 84 -2.915 -0.847 5.734 665 1HD1 ILE 84 1HD1 ILE 84 -2.826 2.318 4.228 666 2HD1 ILE 84 2HD1 ILE 84 -3.549 3.448 5.373 667 3HD1 ILE 84 3HD1 ILE 84 -2.033 3.855 4.570 668 H ASP 85 H ASP 85 -1.990 -1.509 8.470 669 HA ASP 85 HA ASP 85 -0.378 -3.708 7.618 670 1HB ASP 85 1HB ASP 85 -2.727 -3.336 9.408 671 2HB ASP 85 2HB ASP 85 -2.435 -4.956 8.779 672 H VAL 86 H VAL 86 -0.665 -5.074 5.970 673 HA VAL 86 HA VAL 86 -3.155 -4.836 4.411 674 HB VAL 86 HB VAL 86 -0.870 -4.183 3.371 675 1HG1 VAL 86 1HG1 VAL 86 0.638 -5.776 2.829 676 2HG1 VAL 86 2HG1 VAL 86 -0.085 -6.617 4.201 677 3HG1 VAL 86 3HG1 VAL 86 -0.596 -7.006 2.558 678 1HG2 VAL 86 1HG2 VAL 86 -3.036 -4.462 2.174 679 2HG2 VAL 86 2HG2 VAL 86 -1.624 -4.865 1.196 680 3HG2 VAL 86 3HG2 VAL 86 -2.611 -6.150 1.891 681 H PHE 87 H PHE 87 -4.053 -6.730 3.489 682 HA PHE 87 HA PHE 87 -3.531 -9.121 5.081 683 1HB PHE 87 1HB PHE 87 -5.869 -8.097 4.676 684 2HB PHE 87 2HB PHE 87 -5.752 -8.819 3.075 685 HD1 PHE 87 1HD PHE 87 -6.459 -9.377 6.546 686 HD2 PHE 87 2HD PHE 87 -5.459 -11.307 2.887 687 HE1 PHE 87 1HE PHE 87 -7.258 -11.517 7.461 688 HE2 PHE 87 2HE PHE 87 -6.257 -13.450 3.795 689 HZ PHE 87 HZ PHE 87 -7.158 -13.557 6.084 690 H GLN 88 H GLN 88 -2.200 -10.611 4.313 691 HA GLN 88 HA GLN 88 -2.179 -11.121 1.415 692 1HB GLN 88 1HB GLN 88 -0.125 -9.885 2.535 693 2HB GLN 88 2HB GLN 88 0.314 -11.521 3.007 694 1HG GLN 88 1HG GLN 88 0.741 -12.179 0.867 695 2HG GLN 88 2HG GLN 88 -0.391 -11.023 0.168 696 1HE2 GLN 88 1HE2 GLN 88 2.667 -11.748 0.061 697 2HE2 GLN 88 2HE2 GLN 88 3.403 -10.188 -0.027 698 H GLN 89 H GLN 89 -1.302 -12.436 4.601 699 HA GLN 89 HA GLN 89 -1.335 -14.551 5.440 700 1HB GLN 89 1HB GLN 89 -3.599 -14.584 3.477 701 2HB GLN 89 2HB GLN 89 -3.147 -16.063 4.315 702 1HG GLN 89 1HG GLN 89 -3.883 -13.482 5.676 703 2HG GLN 89 2HG GLN 89 -4.988 -14.828 5.400 704 1HE2 GLN 89 1HE2 GLN 89 -3.682 -17.008 6.049 705 2HE2 GLN 89 2HE2 GLN 89 -3.127 -16.973 7.685 706 H GLN 90 H GLN 90 0.421 -13.905 3.140 707 HA GLN 90 HA GLN 90 0.623 -16.462 1.750 708 1HB GLN 90 1HB GLN 90 0.845 -14.250 0.551 709 2HB GLN 90 2HB GLN 90 2.368 -14.024 1.400 710 1HG GLN 90 1HG GLN 90 2.596 -14.897 -0.913 711 2HG GLN 90 2HG GLN 90 3.340 -15.909 0.324 712 1HE2 GLN 90 1HE2 GLN 90 3.186 -17.919 -0.391 713 2HE2 GLN 90 2HE2 GLN 90 1.744 -18.679 -0.960 714 H THR 91 H THR 91 2.750 -17.511 1.566 715 HA THR 91 HA THR 91 3.946 -17.789 4.177 716 HB THR 91 HB THR 91 5.411 -19.496 2.942 717 HG1 THR 91 1HG THR 91 4.386 -20.172 0.921 718 1HG2 THR 91 1HG2 THR 91 3.371 -20.005 4.317 719 2HG2 THR 91 2HG2 THR 91 3.712 -21.176 3.042 720 3HG2 THR 91 3HG2 THR 91 2.436 -19.978 2.823 721 H GLY 92 H GLY 92 5.533 -16.512 4.856 722 1HA GLY 92 2HA GLY 92 7.790 -15.967 3.106 723 2HA GLY 92 3HA GLY 92 6.886 -14.556 3.635 724 H GLY 93 H GLY 93 7.112 -13.809 5.713 725 1HA GLY 93 2HA GLY 93 9.207 -15.159 7.297 726 2HA GLY 93 3HA GLY 93 8.937 -13.423 7.287 727 H VAL 94 H VAL 94 8.740 -13.381 9.550 728 HA VAL 94 HA VAL 94 6.111 -14.277 10.499 729 HB VAL 94 HB VAL 94 7.845 -15.891 11.276 730 1HG1 VAL 94 1HG1 VAL 94 9.594 -15.297 12.689 731 2HG1 VAL 94 2HG1 VAL 94 9.583 -13.996 11.497 732 3HG1 VAL 94 3HG1 VAL 94 8.870 -13.740 13.090 733 1HG2 VAL 94 1HG2 VAL 94 5.778 -15.544 12.533 734 2HG2 VAL 94 2HG2 VAL 94 7.127 -15.906 13.610 735 3HG2 VAL 94 3HG2 VAL 94 6.547 -14.248 13.448 736 H TYR 95 H TYR 95 5.076 -12.873 11.835 737 HA TYR 95 HA TYR 95 6.551 -10.587 12.910 738 1HB TYR 95 1HB TYR 95 4.439 -10.487 10.825 739 2HB TYR 95 2HB TYR 95 4.352 -9.276 12.099 740 HD1 TYR 95 1HD TYR 95 5.734 -7.380 12.042 741 HD2 TYR 95 2HD TYR 95 6.607 -10.681 9.502 742 HE1 TYR 95 1HE TYR 95 7.430 -6.030 10.880 743 HE2 TYR 95 2HE TYR 95 8.307 -9.340 8.335 744 HH TYR 95 HH TYR 95 8.737 -5.919 9.020 Start of MODEL 9 1 1H MET 1 1H MET 1 21.846 5.557 15.290 2 HA MET 1 HA MET 1 20.167 5.452 13.137 3 1HB MET 1 1HB MET 1 20.589 7.513 15.265 4 2HB MET 1 2HB MET 1 19.455 7.842 13.962 5 1HG MET 1 1HG MET 1 19.245 5.270 15.445 6 2HG MET 1 2HG MET 1 18.662 6.751 16.201 7 1HE MET 1 1HE MET 1 15.441 6.273 15.753 8 2HE MET 1 2HE MET 1 15.770 4.613 15.254 9 3HE MET 1 3HE MET 1 16.763 5.373 16.498 10 H ALA 2 H ALA 2 19.788 6.672 11.296 11 HA ALA 2 HA ALA 2 21.668 8.785 10.592 12 1HB ALA 2 1HB ALA 2 22.636 6.580 9.840 13 2HB ALA 2 2HB ALA 2 21.278 6.461 8.721 14 3HB ALA 2 3HB ALA 2 22.423 7.795 8.579 15 H ASP 3 H ASP 3 20.966 10.103 8.846 16 HA ASP 3 HA ASP 3 18.099 10.276 8.650 17 1HB ASP 3 1HB ASP 3 20.341 11.932 7.487 18 2HB ASP 3 2HB ASP 3 18.639 12.272 7.184 19 H GLU 4 H GLU 4 16.894 10.293 6.685 20 HA GLU 4 HA GLU 4 18.175 8.868 4.452 21 1HB GLU 4 1HB GLU 4 16.140 7.552 4.133 22 2HB GLU 4 2HB GLU 4 16.814 7.285 5.735 23 1HG GLU 4 1HG GLU 4 15.129 9.205 6.385 24 2HG GLU 4 2HG GLU 4 14.301 8.643 4.933 25 H LYS 5 H LYS 5 17.598 9.498 2.414 26 HA LYS 5 HA LYS 5 15.497 11.525 2.133 27 1HB LYS 5 1HB LYS 5 18.277 11.795 0.973 28 2HB LYS 5 2HB LYS 5 16.942 12.915 0.731 29 1HG LYS 5 1HG LYS 5 16.956 13.149 3.294 30 2HG LYS 5 2HG LYS 5 18.562 12.422 3.197 31 1HD LYS 5 1HD LYS 5 17.719 14.868 1.648 32 2HD LYS 5 2HD LYS 5 18.553 14.922 3.202 33 1HE LYS 5 1HE LYS 5 19.627 13.496 0.775 34 2HE LYS 5 2HE LYS 5 20.029 15.163 1.185 35 1HZ LYS 5 1HZ LYS 5 20.863 12.680 2.473 36 2HZ LYS 5 2HZ LYS 5 20.608 14.018 3.476 37 3HZ LYS 5 3HZ LYS 5 21.731 14.109 2.214 38 HA PRO 6 HA PRO 6 15.274 8.201 -1.103 39 1HB PRO 6 1HB PRO 6 12.601 7.805 -0.844 40 2HB PRO 6 2HB PRO 6 13.797 6.971 0.155 41 1HG PRO 6 1HG PRO 6 12.137 9.378 0.798 42 2HG PRO 6 2HG PRO 6 12.510 7.973 1.813 43 1HD PRO 6 1HD PRO 6 13.803 10.338 2.070 44 2HD PRO 6 2HD PRO 6 14.592 8.779 2.385 45 H LYS 7 H LYS 7 15.163 8.899 -3.134 46 HA LYS 7 HA LYS 7 13.079 10.840 -3.862 47 1HB LYS 7 1HB LYS 7 14.768 11.897 -5.415 48 2HB LYS 7 2HB LYS 7 15.037 12.180 -3.700 49 1HG LYS 7 1HG LYS 7 16.905 10.840 -3.631 50 2HG LYS 7 2HG LYS 7 16.414 9.901 -5.043 51 1HD LYS 7 1HD LYS 7 18.187 11.228 -5.808 52 2HD LYS 7 2HD LYS 7 16.738 12.064 -6.369 53 1HE LYS 7 1HE LYS 7 16.904 13.688 -4.648 54 2HE LYS 7 2HE LYS 7 18.132 12.756 -3.793 55 1HZ LYS 7 1HZ LYS 7 18.932 13.361 -6.461 56 2HZ LYS 7 2HZ LYS 7 19.729 13.680 -5.004 57 3HZ LYS 7 3HZ LYS 7 18.578 14.770 -5.594 58 H GLU 8 H GLU 8 12.761 8.153 -4.231 59 HA GLU 8 HA GLU 8 13.645 7.331 -6.835 60 1HB GLU 8 1HB GLU 8 11.473 6.134 -5.107 61 2HB GLU 8 2HB GLU 8 12.266 5.363 -6.473 62 1HG GLU 8 1HG GLU 8 14.399 5.446 -5.242 63 2HG GLU 8 2HG GLU 8 13.546 6.132 -3.860 64 H GLY 9 H GLY 9 11.580 6.244 -8.126 65 1HA GLY 9 2HA GLY 9 9.144 7.302 -8.417 66 2HA GLY 9 3HA GLY 9 10.144 8.591 -9.071 67 H VAL 10 H VAL 10 8.184 6.369 -10.108 68 HA VAL 10 HA VAL 10 9.837 5.703 -12.454 69 HB VAL 10 HB VAL 10 8.473 3.610 -12.678 70 1HG1 VAL 10 1HG1 VAL 10 10.798 3.898 -11.538 71 2HG1 VAL 10 2HG1 VAL 10 9.910 3.515 -10.061 72 3HG1 VAL 10 3HG1 VAL 10 9.935 2.366 -11.400 73 1HG2 VAL 10 1HG2 VAL 10 7.058 4.779 -10.514 74 2HG2 VAL 10 2HG2 VAL 10 6.720 3.268 -11.358 75 3HG2 VAL 10 3HG2 VAL 10 7.776 3.272 -9.945 76 H LYS 11 H LYS 11 8.142 7.978 -12.142 77 HA LYS 11 HA LYS 11 6.552 7.689 -14.505 78 1HB LYS 11 1HB LYS 11 4.434 8.494 -13.321 79 2HB LYS 11 2HB LYS 11 4.866 6.801 -13.125 80 1HG LYS 11 1HG LYS 11 5.861 7.332 -10.938 81 2HG LYS 11 2HG LYS 11 5.347 9.009 -11.134 82 1HD LYS 11 1HD LYS 11 3.742 7.864 -9.757 83 2HD LYS 11 2HD LYS 11 3.001 8.209 -11.321 84 1HE LYS 11 1HE LYS 11 2.505 5.933 -10.501 85 2HE LYS 11 2HE LYS 11 3.362 5.936 -12.041 86 1HZ LYS 11 1HZ LYS 11 5.038 4.810 -11.153 87 2HZ LYS 11 2HZ LYS 11 4.077 4.564 -9.783 88 3HZ LYS 11 3HZ LYS 11 5.162 5.861 -9.833 89 H THR 12 H THR 12 5.482 9.761 -15.100 90 HA THR 12 HA THR 12 6.746 12.089 -13.822 91 HB THR 12 HB THR 12 7.055 13.107 -16.076 92 HG1 THR 12 1HG THR 12 6.249 12.091 -17.739 93 1HG2 THR 12 1HG2 THR 12 8.758 10.923 -16.607 94 2HG2 THR 12 2HG2 THR 12 8.596 11.022 -14.854 95 3HG2 THR 12 3HG2 THR 12 9.153 12.423 -15.769 96 H GLU 13 H GLU 13 5.017 13.047 -12.917 97 HA GLU 13 HA GLU 13 2.976 14.106 -14.678 98 1HB GLU 13 1HB GLU 13 2.368 12.133 -12.489 99 2HB GLU 13 2HB GLU 13 1.172 13.303 -13.027 100 1HG GLU 13 1HG GLU 13 1.864 12.301 -15.398 101 2HG GLU 13 2HG GLU 13 2.226 10.903 -14.386 102 H ASN 14 H ASN 14 1.695 15.779 -13.677 103 HA ASN 14 HA ASN 14 2.962 16.894 -11.261 104 1HB ASN 14 1HB ASN 14 2.070 18.220 -13.802 105 2HB ASN 14 2HB ASN 14 2.123 19.136 -12.299 106 1HD2 ASN 14 1HD2 ASN 14 3.999 17.401 -14.667 107 2HD2 ASN 14 2HD2 ASN 14 5.535 18.055 -14.218 108 H ASN 15 H ASN 15 0.661 15.125 -11.397 109 HA ASN 15 HA ASN 15 -1.617 16.841 -10.812 110 1HB ASN 15 1HB ASN 15 -1.364 14.295 -11.911 111 2HB ASN 15 2HB ASN 15 -2.013 14.004 -10.300 112 1HD2 ASN 15 1HD2 ASN 15 -3.498 13.378 -12.474 113 2HD2 ASN 15 2HD2 ASN 15 -4.829 14.469 -12.624 114 H ASP 16 H ASP 16 -0.258 13.992 -9.154 115 HA ASP 16 HA ASP 16 0.019 15.410 -6.673 116 1HB ASP 16 1HB ASP 16 -2.292 13.558 -7.135 117 2HB ASP 16 2HB ASP 16 -1.563 13.659 -5.535 118 H HIS 17 H HIS 17 0.791 13.956 -4.915 119 HA HIS 17 HA HIS 17 1.718 11.333 -5.622 120 1HB HIS 17 1HB HIS 17 4.155 11.970 -5.180 121 2HB HIS 17 2HB HIS 17 3.485 12.426 -6.743 122 HD1 HIS 17 1HD HIS 17 4.969 13.826 -3.669 123 HD2 HIS 17 2HD HIS 17 2.967 15.226 -7.029 124 HE1 HIS 17 1HE HIS 17 5.356 16.310 -3.695 125 H ILE 18 H ILE 18 0.758 10.579 -3.779 126 HA ILE 18 HA ILE 18 1.469 11.786 -1.215 127 HB ILE 18 HB ILE 18 -0.261 10.490 -0.230 128 1HG1 ILE 18 1HG1 ILE 18 -0.401 8.985 -2.851 129 2HG1 ILE 18 2HG1 ILE 18 0.195 8.353 -1.320 130 1HG2 ILE 18 1HG2 ILE 18 -2.226 11.116 -1.574 131 2HG2 ILE 18 2HG2 ILE 18 -1.043 12.419 -1.468 132 3HG2 ILE 18 3HG2 ILE 18 -1.163 11.455 -2.940 133 1HD1 ILE 18 1HD1 ILE 18 -2.627 9.124 -2.005 134 2HD1 ILE 18 2HD1 ILE 18 -1.999 7.512 -1.661 135 3HD1 ILE 18 3HD1 ILE 18 -2.084 8.718 -0.378 136 H ASN 19 H ASN 19 1.438 9.756 0.530 137 HA ASN 19 HA ASN 19 3.514 7.881 -0.381 138 1HB ASN 19 1HB ASN 19 4.171 9.957 1.168 139 2HB ASN 19 2HB ASN 19 3.622 8.857 2.429 140 1HD2 ASN 19 1HD2 ASN 19 6.139 9.697 0.333 141 2HD2 ASN 19 2HD2 ASN 19 7.201 8.381 0.688 142 H LEU 20 H LEU 20 3.053 5.822 0.029 143 HA LEU 20 HA LEU 20 1.092 5.220 2.145 144 1HB LEU 20 1HB LEU 20 1.433 3.722 -0.447 145 2HB LEU 20 2HB LEU 20 0.221 3.422 0.797 146 HG LEU 20 HG LEU 20 -0.990 4.520 -0.835 147 1HD1 LEU 20 1HD1 LEU 20 -0.719 5.744 1.533 148 2HD1 LEU 20 2HD1 LEU 20 -1.791 6.326 0.259 149 3HD1 LEU 20 3HD1 LEU 20 -0.196 7.048 0.467 150 1HD2 LEU 20 1HD2 LEU 20 1.136 5.093 -2.125 151 2HD2 LEU 20 2HD2 LEU 20 1.135 6.608 -1.220 152 3HD2 LEU 20 3HD2 LEU 20 -0.224 6.206 -2.271 153 H LYS 21 H LYS 21 1.474 3.451 3.435 154 HA LYS 21 HA LYS 21 3.920 1.906 2.934 155 1HB LYS 21 1HB LYS 21 3.205 2.877 5.692 156 2HB LYS 21 2HB LYS 21 4.725 2.187 5.139 157 1HG LYS 21 1HG LYS 21 4.795 4.286 3.597 158 2HG LYS 21 2HG LYS 21 3.649 4.942 4.768 159 1HD LYS 21 1HD LYS 21 5.223 5.171 6.358 160 2HD LYS 21 2HD LYS 21 5.988 3.631 5.958 161 1HE LYS 21 1HE LYS 21 6.590 5.147 3.770 162 2HE LYS 21 2HE LYS 21 6.623 6.348 5.060 163 1HZ LYS 21 1HZ LYS 21 8.214 5.025 6.252 164 2HZ LYS 21 2HZ LYS 21 8.789 5.284 4.682 165 3HZ LYS 21 3HZ LYS 21 8.124 3.786 5.103 166 H VAL 22 H VAL 22 3.218 -0.110 2.668 167 HA VAL 22 HA VAL 22 0.949 -1.077 4.243 168 HB VAL 22 HB VAL 22 2.356 -2.594 2.056 169 1HG1 VAL 22 1HG1 VAL 22 -0.041 -3.501 1.842 170 2HG1 VAL 22 2HG1 VAL 22 0.931 -4.031 3.216 171 3HG1 VAL 22 3HG1 VAL 22 -0.301 -2.787 3.433 172 1HG2 VAL 22 1HG2 VAL 22 0.245 -0.468 1.832 173 2HG2 VAL 22 2HG2 VAL 22 1.772 -0.597 0.960 174 3HG2 VAL 22 3HG2 VAL 22 0.455 -1.714 0.601 175 H ALA 23 H ALA 23 1.834 -1.487 6.247 176 HA ALA 23 HA ALA 23 3.943 -3.545 6.336 177 1HB ALA 23 1HB ALA 23 3.301 -1.473 8.431 178 2HB ALA 23 2HB ALA 23 4.595 -2.670 8.504 179 3HB ALA 23 3HB ALA 23 4.642 -1.393 7.288 180 H GLY 24 H GLY 24 3.365 -5.470 7.099 181 1HA GLY 24 2HA GLY 24 0.716 -5.900 8.126 182 2HA GLY 24 3HA GLY 24 1.959 -7.122 7.900 183 H GLN 25 H GLN 25 0.058 -6.373 10.163 184 HA GLN 25 HA GLN 25 1.516 -5.394 12.342 185 1HB GLN 25 1HB GLN 25 -0.890 -5.542 12.439 186 2HB GLN 25 2HB GLN 25 -0.834 -7.289 12.249 187 1HG GLN 25 1HG GLN 25 -0.136 -7.641 14.411 188 2HG GLN 25 2HG GLN 25 0.542 -6.022 14.568 189 1HE2 GLN 25 1HE2 GLN 25 -1.797 -7.912 15.699 190 2HE2 GLN 25 2HE2 GLN 25 -3.015 -6.741 16.060 191 H ASP 26 H ASP 26 1.680 -8.401 10.726 192 HA ASP 26 HA ASP 26 2.745 -9.901 12.941 193 1HB ASP 26 1HB ASP 26 2.674 -10.507 9.977 194 2HB ASP 26 2HB ASP 26 3.200 -11.637 11.222 195 H GLY 27 H GLY 27 4.235 -9.315 9.759 196 1HA GLY 27 2HA GLY 27 6.572 -8.100 10.900 197 2HA GLY 27 3HA GLY 27 6.845 -9.774 10.438 198 H SER 28 H SER 28 5.001 -7.130 8.924 199 HA SER 28 HA SER 28 6.725 -7.408 6.554 200 1HB SER 28 1HB SER 28 4.780 -8.505 5.838 201 2HB SER 28 2HB SER 28 3.721 -7.396 6.709 202 HG SER 28 HG SER 28 4.187 -7.239 4.233 203 H VAL 29 H VAL 29 7.100 -5.535 5.363 204 HA VAL 29 HA VAL 29 5.887 -3.035 6.205 205 HB VAL 29 HB VAL 29 8.865 -3.487 6.447 206 1HG1 VAL 29 1HG1 VAL 29 9.097 -1.311 6.062 207 2HG1 VAL 29 2HG1 VAL 29 7.349 -1.101 5.939 208 3HG1 VAL 29 3HG1 VAL 29 8.143 -0.995 7.511 209 1HG2 VAL 29 1HG2 VAL 29 8.403 -2.770 8.829 210 2HG2 VAL 29 2HG2 VAL 29 6.693 -3.013 8.475 211 3HG2 VAL 29 3HG2 VAL 29 7.816 -4.369 8.374 212 H VAL 30 H VAL 30 5.359 -2.056 4.375 213 HA VAL 30 HA VAL 30 7.264 -2.133 2.130 214 HB VAL 30 HB VAL 30 4.271 -2.161 1.767 215 1HG1 VAL 30 1HG1 VAL 30 5.056 -1.413 -0.231 216 2HG1 VAL 30 2HG1 VAL 30 6.638 -2.167 -0.018 217 3HG1 VAL 30 3HG1 VAL 30 5.252 -3.144 -0.504 218 1HG2 VAL 30 1HG2 VAL 30 6.074 -4.345 2.421 219 2HG2 VAL 30 2HG2 VAL 30 4.311 -4.305 2.391 220 3HG2 VAL 30 3HG2 VAL 30 5.211 -4.609 0.905 221 H GLN 31 H GLN 31 7.183 -0.317 0.700 222 HA GLN 31 HA GLN 31 5.675 2.010 1.613 223 1HB GLN 31 1HB GLN 31 7.779 3.406 1.412 224 2HB GLN 31 2HB GLN 31 7.689 2.349 2.815 225 1HG GLN 31 1HG GLN 31 9.078 0.698 1.575 226 2HG GLN 31 2HG GLN 31 9.272 1.898 0.298 227 1HE2 GLN 31 1HE2 GLN 31 10.320 0.815 3.353 228 2HE2 GLN 31 2HE2 GLN 31 11.500 2.043 3.644 229 H PHE 32 H PHE 32 4.973 3.260 -0.020 230 HA PHE 32 HA PHE 32 6.310 3.223 -2.596 231 1HB PHE 32 1HB PHE 32 3.879 1.711 -2.055 232 2HB PHE 32 2HB PHE 32 3.664 2.872 -3.361 233 HD1 PHE 32 1HD PHE 32 4.860 2.644 -5.441 234 HD2 PHE 32 2HD PHE 32 5.430 -0.137 -2.269 235 HE1 PHE 32 1HE PHE 32 5.975 1.100 -6.999 236 HE2 PHE 32 2HE PHE 32 6.546 -1.685 -3.822 237 HZ PHE 32 HZ PHE 32 6.820 -1.067 -6.191 238 H LYS 33 H LYS 33 5.244 4.760 -4.144 239 HA LYS 33 HA LYS 33 3.686 6.858 -2.828 240 1HB LYS 33 1HB LYS 33 5.156 8.617 -3.510 241 2HB LYS 33 2HB LYS 33 6.124 7.426 -2.651 242 1HG LYS 33 1HG LYS 33 6.747 6.485 -4.908 243 2HG LYS 33 2HG LYS 33 5.999 7.921 -5.611 244 1HD LYS 33 1HD LYS 33 8.236 7.954 -3.586 245 2HD LYS 33 2HD LYS 33 8.448 8.142 -5.329 246 1HE LYS 33 1HE LYS 33 6.942 10.121 -5.231 247 2HE LYS 33 2HE LYS 33 6.918 9.964 -3.476 248 1HZ LYS 33 1HZ LYS 33 9.401 10.160 -3.580 249 2HZ LYS 33 2HZ LYS 33 8.551 11.562 -3.993 250 3HZ LYS 33 3HZ LYS 33 9.238 10.602 -5.205 251 H ILE 34 H ILE 34 2.164 7.722 -4.113 252 HA ILE 34 HA ILE 34 2.426 7.802 -6.972 253 HB ILE 34 HB ILE 34 1.574 5.412 -6.200 254 1HG1 ILE 34 1HG1 ILE 34 -0.009 6.631 -8.420 255 2HG1 ILE 34 2HG1 ILE 34 1.746 6.635 -8.545 256 1HG2 ILE 34 1HG2 ILE 34 -1.065 6.790 -6.527 257 2HG2 ILE 34 2HG2 ILE 34 -0.718 5.186 -5.884 258 3HG2 ILE 34 3HG2 ILE 34 -0.323 6.619 -4.936 259 1HD1 ILE 34 1HD1 ILE 34 1.749 4.521 -9.183 260 2HD1 ILE 34 2HD1 ILE 34 0.824 4.039 -7.761 261 3HD1 ILE 34 3HD1 ILE 34 -0.013 4.575 -9.218 262 H LYS 35 H LYS 35 0.270 8.564 -7.970 263 HA LYS 35 HA LYS 35 -0.450 10.995 -6.800 264 1HB LYS 35 1HB LYS 35 -2.065 9.403 -8.799 265 2HB LYS 35 2HB LYS 35 -2.174 11.134 -8.506 266 1HG LYS 35 1HG LYS 35 -0.281 11.595 -9.671 267 2HG LYS 35 2HG LYS 35 0.471 10.047 -9.279 268 1HD LYS 35 1HD LYS 35 -1.937 10.127 -11.051 269 2HD LYS 35 2HD LYS 35 -0.347 10.522 -11.711 270 1HE LYS 35 1HE LYS 35 0.485 8.387 -11.306 271 2HE LYS 35 2HE LYS 35 -0.759 8.024 -10.111 272 1HZ LYS 35 1HZ LYS 35 -0.886 7.012 -12.486 273 2HZ LYS 35 2HZ LYS 35 -1.553 8.512 -12.896 274 3HZ LYS 35 3HZ LYS 35 -2.296 7.549 -11.721 275 H ARG 36 H ARG 36 -2.692 11.653 -6.187 276 HA ARG 36 HA ARG 36 -3.652 9.894 -4.111 277 1HB ARG 36 1HB ARG 36 -4.982 11.726 -3.381 278 2HB ARG 36 2HB ARG 36 -3.434 12.397 -3.877 279 1HG ARG 36 1HG ARG 36 -4.389 13.137 -5.974 280 2HG ARG 36 2HG ARG 36 -5.933 12.391 -5.556 281 1HD ARG 36 1HD ARG 36 -6.158 13.893 -3.652 282 2HD ARG 36 2HD ARG 36 -4.591 14.613 -4.019 283 HE ARG 36 HE ARG 36 -6.341 14.791 -6.246 284 1HH1 ARG 36 2HH1 ARG 36 -5.678 16.194 -3.130 285 2HH1 ARG 36 1HH1 ARG 36 -6.347 17.740 -3.538 286 1HH2 ARG 36 2HH2 ARG 36 -7.225 16.821 -6.796 287 2HH2 ARG 36 1HH2 ARG 36 -7.227 18.095 -5.623 288 H HIS 37 H HIS 37 -4.209 10.044 -7.341 289 HA HIS 37 HA HIS 37 -6.950 9.006 -7.038 290 1HB HIS 37 1HB HIS 37 -7.140 9.795 -9.524 291 2HB HIS 37 2HB HIS 37 -7.335 10.964 -8.221 292 HD1 HIS 37 1HD HIS 37 -5.740 12.904 -8.173 293 HD2 HIS 37 2HD HIS 37 -4.576 9.942 -10.843 294 HE1 HIS 37 1HE HIS 37 -3.816 13.881 -9.464 295 H THR 38 H THR 38 -4.896 7.272 -6.756 296 HA THR 38 HA THR 38 -4.679 5.914 -9.360 297 HB THR 38 HB THR 38 -2.947 5.637 -6.897 298 HG1 THR 38 1HG THR 38 -2.821 7.454 -8.648 299 1HG2 THR 38 1HG2 THR 38 -2.611 4.284 -9.574 300 2HG2 THR 38 2HG2 THR 38 -3.282 3.498 -8.145 301 3HG2 THR 38 3HG2 THR 38 -1.614 4.070 -8.137 302 HA PRO 39 HA PRO 39 -7.432 2.819 -7.815 303 1HB PRO 39 1HB PRO 39 -6.939 0.929 -9.700 304 2HB PRO 39 2HB PRO 39 -7.907 2.373 -10.018 305 1HG PRO 39 1HG PRO 39 -5.034 1.838 -10.666 306 2HG PRO 39 2HG PRO 39 -6.283 2.603 -11.666 307 1HD PRO 39 1HD PRO 39 -4.420 4.032 -10.316 308 2HD PRO 39 2HD PRO 39 -6.064 4.638 -10.606 309 H LEU 40 H LEU 40 -6.813 1.886 -5.947 310 HA LEU 40 HA LEU 40 -4.369 0.793 -5.299 311 1HB LEU 40 1HB LEU 40 -7.034 -0.181 -4.285 312 2HB LEU 40 2HB LEU 40 -5.475 -0.333 -3.476 313 HG LEU 40 HG LEU 40 -6.995 2.227 -3.966 314 1HD1 LEU 40 1HD1 LEU 40 -7.500 2.245 -1.691 315 2HD1 LEU 40 2HD1 LEU 40 -6.300 1.009 -1.317 316 3HD1 LEU 40 3HD1 LEU 40 -7.779 0.572 -2.172 317 1HD2 LEU 40 1HD2 LEU 40 -4.561 2.538 -4.107 318 2HD2 LEU 40 2HD2 LEU 40 -4.382 1.780 -2.525 319 3HD2 LEU 40 3HD2 LEU 40 -5.247 3.310 -2.677 320 H SER 41 H SER 41 -6.910 -0.564 -7.215 321 HA SER 41 HA SER 41 -6.528 -3.271 -7.025 322 1HB SER 41 1HB SER 41 -8.112 -1.858 -8.560 323 2HB SER 41 2HB SER 41 -6.818 -2.036 -9.744 324 HG SER 41 HG SER 41 -8.324 -4.073 -8.480 325 H LYS 42 H LYS 42 -4.799 -1.093 -9.256 326 HA LYS 42 HA LYS 42 -3.085 -2.907 -10.416 327 1HB LYS 42 1HB LYS 42 -1.662 -1.063 -10.969 328 2HB LYS 42 2HB LYS 42 -3.323 -0.485 -11.015 329 1HG LYS 42 1HG LYS 42 -2.489 1.219 -9.820 330 2HG LYS 42 2HG LYS 42 -2.681 0.104 -8.465 331 1HD LYS 42 1HD LYS 42 -0.501 0.719 -8.156 332 2HD LYS 42 2HD LYS 42 -0.269 -0.670 -9.220 333 1HE LYS 42 1HE LYS 42 -0.626 2.038 -10.417 334 2HE LYS 42 2HE LYS 42 0.929 1.615 -9.704 335 1HZ LYS 42 1HZ LYS 42 -0.304 0.668 -12.143 336 2HZ LYS 42 2HZ LYS 42 0.417 -0.542 -11.206 337 3HZ LYS 42 3HZ LYS 42 1.333 0.780 -11.729 338 H LEU 43 H LEU 43 -2.884 -1.421 -7.247 339 HA LEU 43 HA LEU 43 -0.221 -2.313 -6.699 340 1HB LEU 43 1HB LEU 43 -1.551 -0.376 -5.627 341 2HB LEU 43 2HB LEU 43 -2.249 -1.629 -4.602 342 HG LEU 43 HG LEU 43 -0.020 -2.181 -3.758 343 1HD1 LEU 43 1HD1 LEU 43 0.836 -0.749 -6.041 344 2HD1 LEU 43 2HD1 LEU 43 1.817 -1.599 -4.848 345 3HD1 LEU 43 3HD1 LEU 43 1.433 0.107 -4.619 346 1HD2 LEU 43 1HD2 LEU 43 0.347 -0.154 -2.457 347 2HD2 LEU 43 2HD2 LEU 43 -1.375 -0.511 -2.592 348 3HD2 LEU 43 3HD2 LEU 43 -0.658 0.762 -3.581 349 H MET 44 H MET 44 -3.446 -3.372 -5.619 350 HA MET 44 HA MET 44 -2.632 -5.524 -4.050 351 1HB MET 44 1HB MET 44 -4.898 -4.785 -3.922 352 2HB MET 44 2HB MET 44 -5.155 -5.067 -5.639 353 1HG MET 44 1HG MET 44 -6.240 -6.784 -4.349 354 2HG MET 44 2HG MET 44 -4.907 -7.476 -5.270 355 1HE MET 44 1HE MET 44 -6.311 -8.700 -2.009 356 2HE MET 44 2HE MET 44 -5.716 -7.462 -0.903 357 3HE MET 44 3HE MET 44 -6.707 -7.004 -2.288 358 H LYS 45 H LYS 45 -3.592 -5.502 -7.479 359 HA LYS 45 HA LYS 45 -3.316 -8.178 -8.059 360 1HB LYS 45 1HB LYS 45 -3.018 -5.672 -9.639 361 2HB LYS 45 2HB LYS 45 -2.446 -7.166 -10.370 362 1HG LYS 45 1HG LYS 45 -5.218 -6.830 -9.255 363 2HG LYS 45 2HG LYS 45 -4.796 -6.514 -10.940 364 1HD LYS 45 1HD LYS 45 -4.245 -9.141 -9.576 365 2HD LYS 45 2HD LYS 45 -5.746 -8.805 -10.442 366 1HE LYS 45 1HE LYS 45 -4.306 -8.211 -12.435 367 2HE LYS 45 2HE LYS 45 -2.946 -8.892 -11.543 368 1HZ LYS 45 1HZ LYS 45 -3.582 -10.936 -12.071 369 2HZ LYS 45 2HZ LYS 45 -4.708 -10.261 -13.137 370 3HZ LYS 45 3HZ LYS 45 -5.172 -10.665 -11.561 371 H ALA 46 H ALA 46 -0.783 -5.687 -8.370 372 HA ALA 46 HA ALA 46 1.288 -7.456 -9.067 373 1HB ALA 46 1HB ALA 46 2.751 -5.651 -8.809 374 2HB ALA 46 2HB ALA 46 1.219 -4.907 -9.267 375 3HB ALA 46 3HB ALA 46 1.740 -4.888 -7.582 376 H TYR 47 H TYR 47 0.353 -6.090 -5.921 377 HA TYR 47 HA TYR 47 2.356 -7.100 -4.331 378 1HB TYR 47 1HB TYR 47 0.210 -5.659 -3.782 379 2HB TYR 47 2HB TYR 47 -0.452 -7.220 -3.311 380 HD1 TYR 47 1HD TYR 47 0.778 -4.441 -1.910 381 HD2 TYR 47 2HD TYR 47 1.658 -8.603 -1.988 382 HE1 TYR 47 1HE TYR 47 1.884 -4.242 0.278 383 HE2 TYR 47 2HE TYR 47 2.765 -8.416 0.200 384 HH TYR 47 HH TYR 47 2.523 -5.596 2.148 385 H CYS 48 H CYS 48 -0.845 -8.654 -4.549 386 HA CYS 48 HA CYS 48 -0.154 -11.068 -3.410 387 1HB CYS 48 1HB CYS 48 -2.471 -10.393 -3.888 388 2HB CYS 48 2HB CYS 48 -2.179 -10.606 -5.610 389 HG CYS 48 HG CYS 48 -1.433 -13.435 -4.959 390 H GLU 49 H GLU 49 0.166 -10.038 -6.766 391 HA GLU 49 HA GLU 49 0.744 -12.426 -8.010 392 1HB GLU 49 1HB GLU 49 1.219 -9.612 -8.539 393 2HB GLU 49 2HB GLU 49 2.528 -10.612 -9.153 394 1HG GLU 49 1HG GLU 49 -0.386 -11.048 -9.763 395 2HG GLU 49 2HG GLU 49 0.742 -10.182 -10.804 396 H ARG 50 H ARG 50 2.735 -10.542 -5.854 397 HA ARG 50 HA ARG 50 4.947 -12.446 -6.244 398 1HB ARG 50 1HB ARG 50 6.421 -10.745 -5.310 399 2HB ARG 50 2HB ARG 50 5.533 -10.100 -6.684 400 1HG ARG 50 1HG ARG 50 4.332 -8.648 -5.408 401 2HG ARG 50 2HG ARG 50 4.388 -9.683 -3.980 402 1HD ARG 50 1HD ARG 50 5.726 -7.626 -3.724 403 2HD ARG 50 2HD ARG 50 6.694 -9.093 -3.590 404 HE ARG 50 HE ARG 50 6.871 -8.366 -6.224 405 1HH1 ARG 50 2HH1 ARG 50 7.572 -6.847 -3.171 406 2HH1 ARG 50 1HH1 ARG 50 8.856 -5.871 -3.804 407 1HH2 ARG 50 2HH2 ARG 50 8.560 -7.087 -7.069 408 2HH2 ARG 50 1HH2 ARG 50 9.417 -6.007 -6.021 409 H GLN 51 H GLN 51 2.465 -11.572 -4.156 410 HA GLN 51 HA GLN 51 3.730 -13.073 -1.967 411 1HB GLN 51 1HB GLN 51 2.124 -10.527 -1.756 412 2HB GLN 51 2HB GLN 51 2.449 -11.575 -0.382 413 1HG GLN 51 1HG GLN 51 4.770 -10.689 -1.990 414 2HG GLN 51 2HG GLN 51 3.967 -9.484 -0.984 415 1HE2 GLN 51 1HE2 GLN 51 3.741 -9.970 1.297 416 2HE2 GLN 51 2HE2 GLN 51 4.945 -10.930 2.079 417 H GLY 52 H GLY 52 2.172 -14.326 -3.813 418 1HA GLY 52 2HA GLY 52 -0.589 -14.394 -3.032 419 2HA GLY 52 3HA GLY 52 0.209 -15.500 -4.140 420 H LEU 53 H LEU 53 0.147 -14.708 -0.665 421 HA LEU 53 HA LEU 53 0.731 -17.494 -0.031 422 1HB LEU 53 1HB LEU 53 0.317 -15.214 1.888 423 2HB LEU 53 2HB LEU 53 1.087 -16.766 2.210 424 HG LEU 53 HG LEU 53 2.181 -14.521 0.518 425 1HD1 LEU 53 1HD1 LEU 53 3.790 -14.221 2.212 426 2HD1 LEU 53 2HD1 LEU 53 3.327 -15.714 3.027 427 3HD1 LEU 53 3HD1 LEU 53 2.237 -14.328 3.043 428 1HD2 LEU 53 1HD2 LEU 53 4.170 -15.922 0.271 429 2HD2 LEU 53 2HD2 LEU 53 2.754 -16.681 -0.456 430 3HD2 LEU 53 3HD2 LEU 53 3.349 -17.239 1.109 431 H SER 54 H SER 54 -1.851 -15.131 0.237 432 HA SER 54 HA SER 54 -3.795 -17.225 0.568 433 1HB SER 54 1HB SER 54 -3.150 -15.343 2.829 434 2HB SER 54 2HB SER 54 -4.752 -16.061 2.665 435 HG SER 54 HG SER 54 -3.790 -18.106 2.791 436 H MET 55 H MET 55 -4.723 -16.443 -1.303 437 HA MET 55 HA MET 55 -5.269 -13.770 -1.896 438 1HB MET 55 1HB MET 55 -5.389 -15.413 -3.633 439 2HB MET 55 2HB MET 55 -6.634 -16.312 -2.777 440 1HG MET 55 1HG MET 55 -8.287 -14.793 -3.310 441 2HG MET 55 2HG MET 55 -7.137 -13.491 -3.605 442 1HE MET 55 1HE MET 55 -7.939 -17.159 -4.934 443 2HE MET 55 2HE MET 55 -9.364 -16.132 -5.090 444 3HE MET 55 3HE MET 55 -8.532 -16.711 -6.534 445 H ARG 56 H ARG 56 -6.861 -15.977 0.231 446 HA ARG 56 HA ARG 56 -9.224 -14.270 0.438 447 1HB ARG 56 1HB ARG 56 -8.693 -16.819 1.959 448 2HB ARG 56 2HB ARG 56 -10.240 -16.032 1.675 449 1HG ARG 56 1HG ARG 56 -10.162 -16.603 -0.659 450 2HG ARG 56 2HG ARG 56 -8.534 -17.259 -0.479 451 1HD ARG 56 1HD ARG 56 -10.823 -18.327 1.135 452 2HD ARG 56 2HD ARG 56 -10.533 -18.888 -0.511 453 HE ARG 56 HE ARG 56 -8.118 -19.157 0.714 454 1HH1 ARG 56 2HH1 ARG 56 -11.343 -20.272 1.405 455 2HH1 ARG 56 1HH1 ARG 56 -10.813 -21.717 2.201 456 1HH2 ARG 56 2HH2 ARG 56 -7.408 -21.056 1.759 457 2HH2 ARG 56 1HH2 ARG 56 -8.574 -22.161 2.402 458 H GLN 57 H GLN 57 -6.329 -13.852 1.518 459 HA GLN 57 HA GLN 57 -7.190 -13.022 4.208 460 1HB GLN 57 1HB GLN 57 -5.594 -15.011 4.138 461 2HB GLN 57 2HB GLN 57 -4.380 -13.886 3.547 462 1HG GLN 57 1HG GLN 57 -4.205 -12.799 5.550 463 2HG GLN 57 2HG GLN 57 -5.846 -13.214 6.043 464 1HE2 GLN 57 1HE2 GLN 57 -5.990 -15.847 5.907 465 2HE2 GLN 57 2HE2 GLN 57 -4.824 -16.606 6.931 466 H ILE 58 H ILE 58 -5.010 -12.430 1.490 467 HA ILE 58 HA ILE 58 -3.890 -10.027 2.387 468 HB ILE 58 HB ILE 58 -4.452 -10.870 -0.458 469 1HG1 ILE 58 1HG1 ILE 58 -3.065 -12.470 0.831 470 2HG1 ILE 58 2HG1 ILE 58 -2.164 -11.697 -0.470 471 1HG2 ILE 58 1HG2 ILE 58 -2.616 -9.309 -1.024 472 2HG2 ILE 58 2HG2 ILE 58 -4.032 -8.501 -0.354 473 3HG2 ILE 58 3HG2 ILE 58 -2.607 -8.760 0.651 474 1HD1 ILE 58 1HD1 ILE 58 -1.080 -10.230 1.098 475 2HD1 ILE 58 2HD1 ILE 58 -2.058 -10.869 2.420 476 3HD1 ILE 58 3HD1 ILE 58 -0.879 -11.904 1.615 477 H ARG 59 H ARG 59 -4.918 -8.229 2.932 478 HA ARG 59 HA ARG 59 -6.769 -6.982 1.121 479 1HB ARG 59 1HB ARG 59 -8.175 -8.615 2.444 480 2HB ARG 59 2HB ARG 59 -7.790 -7.671 3.876 481 1HG ARG 59 1HG ARG 59 -9.846 -6.834 3.249 482 2HG ARG 59 2HG ARG 59 -8.725 -5.677 2.529 483 1HD ARG 59 1HD ARG 59 -9.570 -8.030 0.915 484 2HD ARG 59 2HD ARG 59 -10.723 -6.716 1.148 485 HE ARG 59 HE ARG 59 -8.142 -5.813 0.286 486 1HH1 ARG 59 2HH1 ARG 59 -11.209 -7.084 -0.762 487 2HH1 ARG 59 1HH1 ARG 59 -11.093 -6.408 -2.353 488 1HH2 ARG 59 2HH2 ARG 59 -7.978 -4.918 -1.805 489 2HH2 ARG 59 1HH2 ARG 59 -9.254 -5.177 -2.946 490 H PHE 60 H PHE 60 -7.050 -4.786 1.531 491 HA PHE 60 HA PHE 60 -5.027 -3.618 3.234 492 1HB PHE 60 1HB PHE 60 -6.823 -2.659 1.069 493 2HB PHE 60 2HB PHE 60 -6.300 -1.468 2.256 494 HD1 PHE 60 1HD PHE 60 -3.783 -1.263 2.681 495 HD2 PHE 60 2HD PHE 60 -5.445 -3.235 -0.705 496 HE1 PHE 60 1HE PHE 60 -1.644 -1.014 1.490 497 HE2 PHE 60 2HE PHE 60 -3.309 -2.990 -1.901 498 HZ PHE 60 HZ PHE 60 -1.405 -1.879 -0.803 499 H ARG 61 H ARG 61 -5.326 -2.749 5.187 500 HA ARG 61 HA ARG 61 -7.972 -1.883 6.030 501 1HB ARG 61 1HB ARG 61 -6.565 -4.273 7.096 502 2HB ARG 61 2HB ARG 61 -7.357 -3.225 8.265 503 1HG ARG 61 1HG ARG 61 -8.736 -4.390 5.858 504 2HG ARG 61 2HG ARG 61 -8.743 -5.132 7.460 505 1HD ARG 61 1HD ARG 61 -9.550 -2.279 7.222 506 2HD ARG 61 2HD ARG 61 -10.678 -3.514 6.663 507 HE ARG 61 HE ARG 61 -10.104 -2.841 9.355 508 1HH1 ARG 61 2HH1 ARG 61 -10.817 -5.549 7.286 509 2HH1 ARG 61 1HH1 ARG 61 -11.521 -6.499 8.553 510 1HH2 ARG 61 2HH2 ARG 61 -11.029 -4.081 11.031 511 2HH2 ARG 61 1HH2 ARG 61 -11.642 -5.662 10.682 512 H PHE 62 H PHE 62 -7.812 -0.039 7.120 513 HA PHE 62 HA PHE 62 -5.194 0.687 8.247 514 1HB PHE 62 1HB PHE 62 -6.042 2.165 6.456 515 2HB PHE 62 2HB PHE 62 -7.478 2.492 7.422 516 HD1 PHE 62 1HD PHE 62 -3.775 2.782 7.480 517 HD2 PHE 62 2HD PHE 62 -7.496 4.255 8.929 518 HE1 PHE 62 1HE PHE 62 -2.606 4.649 8.575 519 HE2 PHE 62 2HE PHE 62 -6.333 6.125 10.026 520 HZ PHE 62 HZ PHE 62 -3.885 6.324 9.849 521 H ASP 63 H ASP 63 -5.128 1.840 10.256 522 HA ASP 63 HA ASP 63 -6.955 0.769 12.190 523 1HB ASP 63 1HB ASP 63 -4.794 2.845 12.603 524 2HB ASP 63 2HB ASP 63 -5.558 1.853 13.843 525 H GLY 64 H GLY 64 -8.674 2.024 10.734 526 1HA GLY 64 2HA GLY 64 -9.784 4.012 12.427 527 2HA GLY 64 3HA GLY 64 -9.078 4.761 11.002 528 H GLN 65 H GLN 65 -9.694 2.527 9.246 529 HA GLN 65 HA GLN 65 -12.491 2.023 9.283 530 1HB GLN 65 1HB GLN 65 -11.512 4.429 7.891 531 2HB GLN 65 2HB GLN 65 -12.565 3.397 6.932 532 1HG GLN 65 1HG GLN 65 -14.023 3.490 9.149 533 2HG GLN 65 2HG GLN 65 -13.163 5.017 9.334 534 1HE2 GLN 65 1HE2 GLN 65 -15.755 3.444 7.891 535 2HE2 GLN 65 2HE2 GLN 65 -16.235 4.692 6.797 536 HA PRO 66 HA PRO 66 -11.355 -1.089 6.410 537 1HB PRO 66 1HB PRO 66 -13.578 -1.312 4.867 538 2HB PRO 66 2HB PRO 66 -13.512 -1.871 6.542 539 1HG PRO 66 1HG PRO 66 -14.641 0.671 5.437 540 2HG PRO 66 2HG PRO 66 -15.313 -0.406 6.675 541 1HD PRO 66 1HD PRO 66 -14.024 1.894 7.290 542 2HD PRO 66 2HD PRO 66 -13.972 0.461 8.337 543 H ILE 67 H ILE 67 -11.381 -1.623 3.975 544 HA ILE 67 HA ILE 67 -11.190 0.750 2.285 545 HB ILE 67 HB ILE 67 -8.917 -1.229 2.457 546 1HG1 ILE 67 1HG1 ILE 67 -9.030 1.613 3.490 547 2HG1 ILE 67 2HG1 ILE 67 -9.098 0.172 4.500 548 1HG2 ILE 67 1HG2 ILE 67 -7.985 -0.188 0.699 549 2HG2 ILE 67 2HG2 ILE 67 -9.632 0.346 0.367 550 3HG2 ILE 67 3HG2 ILE 67 -8.519 1.407 1.231 551 1HD1 ILE 67 1HD1 ILE 67 -6.866 1.337 4.326 552 2HD1 ILE 67 2HD1 ILE 67 -6.872 -0.397 4.005 553 3HD1 ILE 67 3HD1 ILE 67 -6.795 0.747 2.665 554 H ASN 68 H ASN 68 -11.941 0.390 0.289 555 HA ASN 68 HA ASN 68 -12.461 -2.399 -0.491 556 1HB ASN 68 1HB ASN 68 -13.838 0.152 -1.363 557 2HB ASN 68 2HB ASN 68 -14.219 -1.456 -1.971 558 1HD2 ASN 68 1HD2 ASN 68 -15.317 0.813 -0.002 559 2HD2 ASN 68 2HD2 ASN 68 -16.104 -0.146 1.201 560 H GLU 69 H GLU 69 -12.358 -2.876 -2.822 561 HA GLU 69 HA GLU 69 -9.870 -2.103 -3.912 562 1HB GLU 69 1HB GLU 69 -10.541 -3.409 -5.877 563 2HB GLU 69 2HB GLU 69 -10.868 -4.280 -4.385 564 1HG GLU 69 1HG GLU 69 -13.060 -2.647 -5.525 565 2HG GLU 69 2HG GLU 69 -12.622 -4.135 -6.362 566 H THR 70 H THR 70 -13.033 -0.770 -4.148 567 HA THR 70 HA THR 70 -12.242 0.901 -6.432 568 HB THR 70 HB THR 70 -14.399 -0.320 -6.623 569 HG1 THR 70 1HG THR 70 -13.975 1.825 -7.592 570 1HG2 THR 70 1HG2 THR 70 -15.822 -0.389 -4.913 571 2HG2 THR 70 2HG2 THR 70 -16.034 1.359 -5.017 572 3HG2 THR 70 3HG2 THR 70 -14.772 0.683 -3.987 573 H ASP 71 H ASP 71 -11.297 1.280 -3.669 574 HA ASP 71 HA ASP 71 -12.484 3.918 -3.110 575 1HB ASP 71 1HB ASP 71 -11.470 1.754 -1.343 576 2HB ASP 71 2HB ASP 71 -11.165 3.412 -0.833 577 H THR 72 H THR 72 -11.228 5.676 -3.229 578 HA THR 72 HA THR 72 -8.405 5.283 -3.916 579 HB THR 72 HB THR 72 -8.632 7.830 -4.461 580 HG1 THR 72 1HG THR 72 -10.807 8.343 -5.068 581 1HG2 THR 72 1HG2 THR 72 -10.238 6.436 -6.450 582 2HG2 THR 72 2HG2 THR 72 -8.819 5.513 -5.954 583 3HG2 THR 72 3HG2 THR 72 -8.631 7.146 -6.593 584 HA PRO 73 HA PRO 73 -6.856 6.987 -0.179 585 1HB PRO 73 1HB PRO 73 -4.719 8.413 -1.057 586 2HB PRO 73 2HB PRO 73 -4.746 6.646 -1.022 587 1HG PRO 73 1HG PRO 73 -5.222 8.503 -3.322 588 2HG PRO 73 2HG PRO 73 -4.281 7.000 -3.273 589 1HD PRO 73 1HD PRO 73 -6.794 7.114 -4.276 590 2HD PRO 73 2HD PRO 73 -6.156 5.673 -3.459 591 H ALA 74 H ALA 74 -7.625 9.170 -2.799 592 HA ALA 74 HA ALA 74 -7.285 11.620 -1.469 593 1HB ALA 74 1HB ALA 74 -8.197 12.576 -3.314 594 2HB ALA 74 2HB ALA 74 -7.867 10.980 -3.988 595 3HB ALA 74 3HB ALA 74 -9.491 11.383 -3.431 596 H GLN 75 H GLN 75 -10.151 9.543 -1.807 597 HA GLN 75 HA GLN 75 -11.631 11.235 0.047 598 1HB GLN 75 1HB GLN 75 -12.508 8.737 -1.412 599 2HB GLN 75 2HB GLN 75 -13.549 9.820 -0.498 600 1HG GLN 75 1HG GLN 75 -13.022 11.627 -2.076 601 2HG GLN 75 2HG GLN 75 -12.037 10.501 -3.009 602 1HE2 GLN 75 1HE2 GLN 75 -13.319 10.782 -4.836 603 2HE2 GLN 75 2HE2 GLN 75 -14.897 10.090 -4.965 604 H LEU 76 H LEU 76 -9.315 9.235 0.627 605 HA LEU 76 HA LEU 76 -10.683 7.827 2.825 606 1HB LEU 76 1HB LEU 76 -8.656 6.970 0.892 607 2HB LEU 76 2HB LEU 76 -8.284 6.550 2.563 608 HG LEU 76 HG LEU 76 -9.452 4.769 1.242 609 1HD1 LEU 76 1HD1 LEU 76 -11.183 4.357 3.060 610 2HD1 LEU 76 2HD1 LEU 76 -10.634 5.874 3.771 611 3HD1 LEU 76 3HD1 LEU 76 -9.506 4.533 3.575 612 1HD2 LEU 76 1HD2 LEU 76 -11.524 5.025 0.373 613 2HD2 LEU 76 2HD2 LEU 76 -11.031 6.716 0.298 614 3HD2 LEU 76 3HD2 LEU 76 -12.035 6.149 1.633 615 H GLU 77 H GLU 77 -8.301 10.116 1.953 616 HA GLU 77 HA GLU 77 -6.868 11.412 3.154 617 1HB GLU 77 1HB GLU 77 -8.458 10.441 5.535 618 2HB GLU 77 2HB GLU 77 -7.411 11.853 5.491 619 1HG GLU 77 1HG GLU 77 -9.507 11.834 3.448 620 2HG GLU 77 2HG GLU 77 -10.096 11.889 5.108 621 H MET 78 H MET 78 -6.032 8.789 2.537 622 HA MET 78 HA MET 78 -4.495 7.994 4.912 623 1HB MET 78 1HB MET 78 -4.027 5.909 3.543 624 2HB MET 78 2HB MET 78 -5.690 6.133 4.067 625 1HG MET 78 1HG MET 78 -6.307 6.936 1.871 626 2HG MET 78 2HG MET 78 -4.633 6.818 1.335 627 1HE MET 78 1HE MET 78 -4.618 4.377 -0.627 628 2HE MET 78 2HE MET 78 -3.562 5.215 0.510 629 3HE MET 78 3HE MET 78 -3.794 3.471 0.643 630 H GLU 79 H GLU 79 -3.453 10.211 4.010 631 HA GLU 79 HA GLU 79 -1.166 9.395 2.338 632 1HB GLU 79 1HB GLU 79 -1.938 12.267 2.588 633 2HB GLU 79 2HB GLU 79 -1.146 11.433 1.258 634 1HG GLU 79 1HG GLU 79 -3.153 11.692 0.284 635 2HG GLU 79 2HG GLU 79 -3.526 10.218 1.175 636 H ASP 80 H ASP 80 0.435 11.612 2.737 637 HA ASP 80 HA ASP 80 2.038 12.428 4.128 638 1HB ASP 80 1HB ASP 80 0.177 12.091 6.460 639 2HB ASP 80 2HB ASP 80 1.354 13.365 6.157 640 H GLU 81 H GLU 81 2.395 9.831 3.564 641 HA GLU 81 HA GLU 81 3.567 7.995 4.224 642 1HB GLU 81 1HB GLU 81 3.987 9.364 6.878 643 2HB GLU 81 2HB GLU 81 4.994 8.133 6.129 644 1HG GLU 81 1HG GLU 81 5.447 9.803 4.290 645 2HG GLU 81 2HG GLU 81 4.683 11.008 5.325 646 H ASP 82 H ASP 82 0.772 8.021 4.550 647 HA ASP 82 HA ASP 82 -0.070 7.085 7.076 648 1HB ASP 82 1HB ASP 82 -1.397 7.886 4.901 649 2HB ASP 82 2HB ASP 82 -1.479 6.148 4.626 650 H THR 83 H THR 83 0.253 5.202 8.046 651 HA THR 83 HA THR 83 1.422 3.004 6.516 652 HB THR 83 HB THR 83 1.052 3.109 9.508 653 HG1 THR 83 1HG THR 83 3.134 3.996 9.593 654 1HG2 THR 83 1HG2 THR 83 2.002 1.096 9.462 655 2HG2 THR 83 2HG2 THR 83 3.411 1.773 8.644 656 3HG2 THR 83 3HG2 THR 83 2.053 1.160 7.701 657 H ILE 84 H ILE 84 -0.182 1.894 5.521 658 HA ILE 84 HA ILE 84 -2.618 1.230 6.966 659 HB ILE 84 HB ILE 84 -1.866 0.369 4.176 660 1HG1 ILE 84 1HG1 ILE 84 -3.349 2.858 5.051 661 2HG1 ILE 84 2HG1 ILE 84 -1.739 2.816 4.341 662 1HG2 ILE 84 1HG2 ILE 84 -4.509 0.619 5.604 663 2HG2 ILE 84 2HG2 ILE 84 -4.318 0.226 3.896 664 3HG2 ILE 84 3HG2 ILE 84 -3.701 -0.874 5.128 665 1HD1 ILE 84 1HD1 ILE 84 -2.752 1.812 2.299 666 2HD1 ILE 84 2HD1 ILE 84 -4.338 2.094 3.018 667 3HD1 ILE 84 3HD1 ILE 84 -3.280 3.457 2.651 668 H ASP 85 H ASP 85 -2.848 -0.576 8.092 669 HA ASP 85 HA ASP 85 -0.828 -2.584 8.158 670 1HB ASP 85 1HB ASP 85 -3.446 -2.135 9.511 671 2HB ASP 85 2HB ASP 85 -2.789 -3.769 9.516 672 H VAL 86 H VAL 86 -0.781 -4.603 7.286 673 HA VAL 86 HA VAL 86 -2.936 -5.259 5.384 674 HB VAL 86 HB VAL 86 -0.495 -4.783 4.570 675 1HG1 VAL 86 1HG1 VAL 86 1.094 -6.394 4.814 676 2HG1 VAL 86 2HG1 VAL 86 0.216 -6.650 6.323 677 3HG1 VAL 86 3HG1 VAL 86 -0.087 -7.698 4.936 678 1HG2 VAL 86 1HG2 VAL 86 -1.668 -7.328 3.527 679 2HG2 VAL 86 2HG2 VAL 86 -2.555 -5.813 3.363 680 3HG2 VAL 86 3HG2 VAL 86 -0.954 -5.980 2.643 681 H PHE 87 H PHE 87 -3.487 -7.484 5.116 682 HA PHE 87 HA PHE 87 -2.843 -9.134 7.470 683 1HB PHE 87 1HB PHE 87 -5.277 -8.219 7.028 684 2HB PHE 87 2HB PHE 87 -5.348 -9.563 5.893 685 HD1 PHE 87 1HD PHE 87 -6.527 -11.326 6.750 686 HD2 PHE 87 2HD PHE 87 -3.957 -9.124 9.331 687 HE1 PHE 87 1HE PHE 87 -7.077 -12.856 8.597 688 HE2 PHE 87 2HE PHE 87 -4.502 -10.650 11.182 689 HZ PHE 87 HZ PHE 87 -6.063 -12.520 10.816 690 H GLN 88 H GLN 88 -1.280 -10.470 6.743 691 HA GLN 88 HA GLN 88 -1.925 -12.120 4.392 692 1HB GLN 88 1HB GLN 88 0.590 -12.239 4.027 693 2HB GLN 88 2HB GLN 88 -0.190 -10.715 3.626 694 1HG GLN 88 1HG GLN 88 0.772 -9.598 5.376 695 2HG GLN 88 2HG GLN 88 0.969 -11.059 6.342 696 1HE2 GLN 88 1HE2 GLN 88 2.356 -12.735 4.868 697 2HE2 GLN 88 2HE2 GLN 88 3.884 -12.078 4.402 698 H GLN 89 H GLN 89 -1.170 -14.281 4.439 699 HA GLN 89 HA GLN 89 -0.829 -15.302 7.160 700 1HB GLN 89 1HB GLN 89 -2.577 -16.117 5.346 701 2HB GLN 89 2HB GLN 89 -1.221 -17.100 4.810 702 1HG GLN 89 1HG GLN 89 -1.847 -17.134 7.700 703 2HG GLN 89 2HG GLN 89 -2.987 -17.929 6.616 704 1HE2 GLN 89 1HE2 GLN 89 -0.928 -18.853 8.654 705 2HE2 GLN 89 2HE2 GLN 89 -0.047 -20.082 7.821 706 H GLN 90 H GLN 90 0.631 -17.193 7.444 707 HA GLN 90 HA GLN 90 3.125 -16.742 5.956 708 1HB GLN 90 1HB GLN 90 4.175 -17.924 7.943 709 2HB GLN 90 2HB GLN 90 3.492 -16.335 8.256 710 1HG GLN 90 1HG GLN 90 1.767 -18.708 8.698 711 2HG GLN 90 2HG GLN 90 3.057 -18.383 9.856 712 1HE2 GLN 90 1HE2 GLN 90 0.833 -18.272 11.050 713 2HE2 GLN 90 2HE2 GLN 90 0.210 -16.674 11.256 714 H THR 91 H THR 91 2.459 -18.098 4.206 715 HA THR 91 HA THR 91 2.312 -20.965 4.846 716 HB THR 91 HB THR 91 0.446 -19.994 3.497 717 HG1 THR 91 1HG THR 91 1.405 -22.254 3.298 718 1HG2 THR 91 1HG2 THR 91 2.314 -19.876 1.163 719 2HG2 THR 91 2HG2 THR 91 2.148 -18.478 2.224 720 3HG2 THR 91 3HG2 THR 91 0.739 -19.113 1.377 721 H GLY 92 H GLY 92 4.142 -18.544 3.124 722 1HA GLY 92 2HA GLY 92 6.157 -20.607 2.513 723 2HA GLY 92 3HA GLY 92 5.676 -19.449 1.281 724 H GLY 93 H GLY 93 5.493 -17.140 2.862 725 1HA GLY 93 2HA GLY 93 8.281 -16.455 3.019 726 2HA GLY 93 3HA GLY 93 6.924 -15.383 3.328 727 H VAL 94 H VAL 94 7.810 -14.488 5.179 728 HA VAL 94 HA VAL 94 8.343 -16.304 7.422 729 HB VAL 94 HB VAL 94 8.906 -13.342 7.280 730 1HG1 VAL 94 1HG1 VAL 94 10.102 -13.579 9.254 731 2HG1 VAL 94 2HG1 VAL 94 8.703 -14.622 9.518 732 3HG1 VAL 94 3HG1 VAL 94 10.257 -15.326 9.068 733 1HG2 VAL 94 1HG2 VAL 94 11.339 -14.400 7.113 734 2HG2 VAL 94 2HG2 VAL 94 10.442 -15.684 6.303 735 3HG2 VAL 94 3HG2 VAL 94 10.374 -14.034 5.683 736 H TYR 95 H TYR 95 6.965 -13.027 7.135 737 HA TYR 95 HA TYR 95 4.742 -13.901 8.853 738 1HB TYR 95 1HB TYR 95 6.177 -11.247 9.061 739 2HB TYR 95 2HB TYR 95 4.826 -11.782 10.054 740 HD1 TYR 95 1HD TYR 95 5.373 -14.307 11.063 741 HD2 TYR 95 2HD TYR 95 8.188 -11.243 10.171 742 HE1 TYR 95 1HE TYR 95 6.946 -15.289 12.680 743 HE2 TYR 95 2HE TYR 95 9.769 -12.218 11.784 744 HH TYR 95 HH TYR 95 10.185 -14.492 12.810 Start of MODEL 10 1 1H MET 1 1H MET 1 30.128 17.779 -4.233 2 HA MET 1 HA MET 1 30.710 15.242 -5.611 3 1HB MET 1 1HB MET 1 30.216 15.714 -2.671 4 2HB MET 1 2HB MET 1 30.143 14.122 -3.416 5 1HG MET 1 1HG MET 1 32.533 14.727 -4.266 6 2HG MET 1 2HG MET 1 32.494 15.887 -2.940 7 1HE MET 1 1HE MET 1 32.358 15.443 -0.603 8 2HE MET 1 2HE MET 1 32.982 13.982 0.163 9 3HE MET 1 3HE MET 1 34.035 14.961 -0.859 10 H ALA 2 H ALA 2 29.002 14.281 -6.504 11 HA ALA 2 HA ALA 2 26.340 14.671 -5.390 12 1HB ALA 2 1HB ALA 2 26.648 16.521 -7.002 13 2HB ALA 2 2HB ALA 2 26.917 15.330 -8.275 14 3HB ALA 2 3HB ALA 2 25.355 15.413 -7.462 15 H ASP 3 H ASP 3 25.272 12.806 -5.402 16 HA ASP 3 HA ASP 3 26.264 10.640 -7.115 17 1HB ASP 3 1HB ASP 3 24.544 10.555 -4.627 18 2HB ASP 3 2HB ASP 3 25.037 9.142 -5.557 19 H GLU 4 H GLU 4 24.628 9.110 -7.971 20 HA GLU 4 HA GLU 4 22.741 10.445 -9.564 21 1HB GLU 4 1HB GLU 4 23.399 7.601 -8.988 22 2HB GLU 4 2HB GLU 4 21.846 7.936 -9.741 23 1HG GLU 4 1HG GLU 4 23.258 7.542 -11.535 24 2HG GLU 4 2HG GLU 4 23.179 9.301 -11.446 25 H LYS 5 H LYS 5 21.075 11.511 -8.692 26 HA LYS 5 HA LYS 5 19.284 10.013 -6.903 27 1HB LYS 5 1HB LYS 5 20.275 12.841 -6.605 28 2HB LYS 5 2HB LYS 5 18.787 12.298 -5.841 29 1HG LYS 5 1HG LYS 5 21.312 10.766 -5.413 30 2HG LYS 5 2HG LYS 5 21.022 12.261 -4.519 31 1HD LYS 5 1HD LYS 5 18.924 11.355 -3.665 32 2HD LYS 5 2HD LYS 5 19.178 9.871 -4.587 33 1HE LYS 5 1HE LYS 5 19.846 9.426 -2.350 34 2HE LYS 5 2HE LYS 5 21.318 9.563 -3.311 35 1HZ LYS 5 1HZ LYS 5 20.449 12.053 -2.158 36 2HZ LYS 5 2HZ LYS 5 21.983 11.340 -2.162 37 3HZ LYS 5 3HZ LYS 5 20.839 10.879 -1.004 38 HA PRO 6 HA PRO 6 17.025 11.640 -10.623 39 1HB PRO 6 1HB PRO 6 15.708 9.321 -11.128 40 2HB PRO 6 2HB PRO 6 17.321 9.667 -11.762 41 1HG PRO 6 1HG PRO 6 16.531 8.025 -9.387 42 2HG PRO 6 2HG PRO 6 17.748 7.681 -10.630 43 1HD PRO 6 1HD PRO 6 18.396 8.645 -8.184 44 2HD PRO 6 2HD PRO 6 19.323 9.045 -9.644 45 H LYS 7 H LYS 7 15.468 12.931 -9.838 46 HA LYS 7 HA LYS 7 13.457 11.786 -8.025 47 1HB LYS 7 1HB LYS 7 12.951 14.064 -7.359 48 2HB LYS 7 2HB LYS 7 14.679 13.772 -7.206 49 1HG LYS 7 1HG LYS 7 14.746 15.801 -8.211 50 2HG LYS 7 2HG LYS 7 14.689 14.785 -9.653 51 1HD LYS 7 1HD LYS 7 12.505 15.327 -10.114 52 2HD LYS 7 2HD LYS 7 12.122 15.671 -8.425 53 1HE LYS 7 1HE LYS 7 13.449 17.728 -8.554 54 2HE LYS 7 2HE LYS 7 13.819 17.382 -10.243 55 1HZ LYS 7 1HZ LYS 7 11.231 17.303 -10.426 56 2HZ LYS 7 2HZ LYS 7 12.049 18.783 -10.464 57 3HZ LYS 7 3HZ LYS 7 11.297 18.269 -9.038 58 H GLU 8 H GLU 8 13.934 13.200 -11.152 59 HA GLU 8 HA GLU 8 11.172 13.788 -11.647 60 1HB GLU 8 1HB GLU 8 13.689 13.818 -13.238 61 2HB GLU 8 2HB GLU 8 12.169 13.732 -14.117 62 1HG GLU 8 1HG GLU 8 12.811 15.838 -12.068 63 2HG GLU 8 2HG GLU 8 13.060 16.032 -13.802 64 H GLY 9 H GLY 9 10.121 12.783 -13.668 65 1HA GLY 9 2HA GLY 9 10.722 9.928 -13.932 66 2HA GLY 9 3HA GLY 9 9.128 10.376 -13.344 67 H VAL 10 H VAL 10 8.536 9.097 -15.312 68 HA VAL 10 HA VAL 10 8.491 10.862 -17.673 69 HB VAL 10 HB VAL 10 8.465 7.843 -17.728 70 1HG1 VAL 10 1HG1 VAL 10 7.937 9.910 -19.701 71 2HG1 VAL 10 2HG1 VAL 10 9.206 8.794 -20.209 72 3HG1 VAL 10 3HG1 VAL 10 7.615 8.178 -19.763 73 1HG2 VAL 10 1HG2 VAL 10 10.675 9.811 -17.811 74 2HG2 VAL 10 2HG2 VAL 10 10.656 8.151 -17.216 75 3HG2 VAL 10 3HG2 VAL 10 10.757 8.465 -18.948 76 H LYS 11 H LYS 11 6.505 11.706 -16.725 77 HA LYS 11 HA LYS 11 4.206 10.063 -17.500 78 1HB LYS 11 1HB LYS 11 4.472 11.539 -14.876 79 2HB LYS 11 2HB LYS 11 2.974 10.844 -15.478 80 1HG LYS 11 1HG LYS 11 3.683 8.678 -15.137 81 2HG LYS 11 2HG LYS 11 5.391 9.119 -15.187 82 1HD LYS 11 1HD LYS 11 4.770 8.571 -12.919 83 2HD LYS 11 2HD LYS 11 5.109 10.300 -13.030 84 1HE LYS 11 1HE LYS 11 3.137 10.032 -11.715 85 2HE LYS 11 2HE LYS 11 2.651 10.681 -13.280 86 1HZ LYS 11 1HZ LYS 11 2.219 8.273 -13.906 87 2HZ LYS 11 2HZ LYS 11 1.129 8.992 -12.831 88 3HZ LYS 11 3HZ LYS 11 2.312 7.931 -12.252 89 H THR 12 H THR 12 2.367 11.240 -18.141 90 HA THR 12 HA THR 12 2.870 14.104 -18.629 91 HB THR 12 HB THR 12 1.131 13.652 -20.558 92 HG1 THR 12 1HG THR 12 0.687 11.575 -20.626 93 1HG2 THR 12 1HG2 THR 12 3.122 12.974 -22.038 94 2HG2 THR 12 2HG2 THR 12 4.075 13.054 -20.556 95 3HG2 THR 12 3HG2 THR 12 3.238 14.490 -21.146 96 H GLU 13 H GLU 13 0.507 11.653 -17.761 97 HA GLU 13 HA GLU 13 -1.752 13.336 -17.626 98 1HB GLU 13 1HB GLU 13 -1.095 10.734 -16.246 99 2HB GLU 13 2HB GLU 13 -2.651 11.536 -16.086 100 1HG GLU 13 1HG GLU 13 -3.186 11.202 -18.338 101 2HG GLU 13 2HG GLU 13 -1.519 10.823 -18.766 102 H ASN 14 H ASN 14 -2.699 14.429 -15.923 103 HA ASN 14 HA ASN 14 -0.872 15.110 -13.735 104 1HB ASN 14 1HB ASN 14 -3.353 16.507 -14.759 105 2HB ASN 14 2HB ASN 14 -2.388 17.060 -13.393 106 1HD2 ASN 14 1HD2 ASN 14 -0.257 17.789 -13.772 107 2HD2 ASN 14 2HD2 ASN 14 0.221 18.357 -15.332 108 H ASN 15 H ASN 15 -1.154 13.622 -12.155 109 HA ASN 15 HA ASN 15 -3.831 13.471 -10.959 110 1HB ASN 15 1HB ASN 15 -2.012 11.153 -11.612 111 2HB ASN 15 2HB ASN 15 -3.323 11.031 -10.442 112 1HD2 ASN 15 1HD2 ASN 15 -5.294 10.575 -11.157 113 2HD2 ASN 15 2HD2 ASN 15 -5.777 10.560 -12.816 114 H ASP 16 H ASP 16 -3.591 12.258 -8.733 115 HA ASP 16 HA ASP 16 -1.609 13.772 -7.245 116 1HB ASP 16 1HB ASP 16 -3.533 11.857 -5.973 117 2HB ASP 16 2HB ASP 16 -2.897 13.376 -5.349 118 H HIS 17 H HIS 17 -0.336 12.729 -5.531 119 HA HIS 17 HA HIS 17 0.207 9.894 -5.858 120 1HB HIS 17 1HB HIS 17 2.447 11.897 -6.169 121 2HB HIS 17 2HB HIS 17 2.549 10.147 -6.334 122 HD1 HIS 17 1HD HIS 17 1.368 9.117 -8.485 123 HD2 HIS 17 2HD HIS 17 1.771 13.252 -8.457 124 HE1 HIS 17 1HE HIS 17 1.000 9.845 -10.864 125 H ILE 18 H ILE 18 -0.246 9.415 -3.774 126 HA ILE 18 HA ILE 18 1.013 10.996 -1.652 127 HB ILE 18 HB ILE 18 -0.506 10.015 -0.120 128 1HG1 ILE 18 1HG1 ILE 18 -1.253 8.094 -2.336 129 2HG1 ILE 18 2HG1 ILE 18 -0.363 7.697 -0.870 130 1HG2 ILE 18 1HG2 ILE 18 -1.972 10.537 -2.703 131 2HG2 ILE 18 2HG2 ILE 18 -2.688 10.553 -1.092 132 3HG2 ILE 18 3HG2 ILE 18 -1.470 11.752 -1.527 133 1HD1 ILE 18 1HD1 ILE 18 -2.646 6.972 -0.669 134 2HD1 ILE 18 2HD1 ILE 18 -2.348 8.298 0.456 135 3HD1 ILE 18 3HD1 ILE 18 -3.229 8.594 -1.043 136 H ASN 19 H ASN 19 1.479 9.437 0.363 137 HA ASN 19 HA ASN 19 3.174 7.243 -0.637 138 1HB ASN 19 1HB ASN 19 4.191 9.510 0.384 139 2HB ASN 19 2HB ASN 19 3.947 8.616 1.882 140 1HD2 ASN 19 1HD2 ASN 19 5.045 6.642 2.179 141 2HD2 ASN 19 2HD2 ASN 19 6.483 6.279 1.292 142 H LEU 20 H LEU 20 3.067 5.324 0.413 143 HA LEU 20 HA LEU 20 1.608 5.179 2.948 144 1HB LEU 20 1HB LEU 20 1.041 3.394 0.588 145 2HB LEU 20 2HB LEU 20 0.279 3.305 2.174 146 HG LEU 20 HG LEU 20 -0.067 5.921 0.990 147 1HD1 LEU 20 1HD1 LEU 20 -1.523 5.288 -0.839 148 2HD1 LEU 20 2HD1 LEU 20 -1.175 3.583 -0.557 149 3HD1 LEU 20 3HD1 LEU 20 0.103 4.663 -1.113 150 1HD2 LEU 20 1HD2 LEU 20 -1.558 5.485 2.659 151 2HD2 LEU 20 2HD2 LEU 20 -1.694 3.776 2.246 152 3HD2 LEU 20 3HD2 LEU 20 -2.528 4.987 1.273 153 H LYS 21 H LYS 21 2.049 3.301 4.195 154 HA LYS 21 HA LYS 21 4.363 1.724 3.292 155 1HB LYS 21 1HB LYS 21 4.002 3.245 5.845 156 2HB LYS 21 2HB LYS 21 4.958 1.769 5.849 157 1HG LYS 21 1HG LYS 21 5.480 4.079 3.996 158 2HG LYS 21 2HG LYS 21 6.260 3.884 5.567 159 1HD LYS 21 1HD LYS 21 6.350 1.797 3.395 160 2HD LYS 21 2HD LYS 21 7.581 3.047 3.595 161 1HE LYS 21 1HE LYS 21 6.942 1.589 6.052 162 2HE LYS 21 2HE LYS 21 7.619 0.580 4.775 163 1HZ LYS 21 1HZ LYS 21 9.490 2.098 4.614 164 2HZ LYS 21 2HZ LYS 21 9.348 1.495 6.187 165 3HZ LYS 21 3HZ LYS 21 8.840 3.070 5.837 166 H VAL 22 H VAL 22 3.633 -0.287 3.066 167 HA VAL 22 HA VAL 22 1.510 -1.295 4.779 168 HB VAL 22 HB VAL 22 2.946 -2.708 2.528 169 1HG1 VAL 22 1HG1 VAL 22 0.239 -3.306 3.702 170 2HG1 VAL 22 2HG1 VAL 22 1.176 -4.286 2.571 171 3HG1 VAL 22 3HG1 VAL 22 1.721 -4.098 4.238 172 1HG2 VAL 22 1HG2 VAL 22 1.835 -0.643 1.772 173 2HG2 VAL 22 2HG2 VAL 22 1.071 -2.093 1.120 174 3HG2 VAL 22 3HG2 VAL 22 0.319 -1.226 2.459 175 H ALA 23 H ALA 23 2.603 -1.442 6.773 176 HA ALA 23 HA ALA 23 4.605 -3.602 6.905 177 1HB ALA 23 1HB ALA 23 4.366 -1.094 8.548 178 2HB ALA 23 2HB ALA 23 5.363 -2.467 9.033 179 3HB ALA 23 3HB ALA 23 5.712 -1.610 7.531 180 H GLY 24 H GLY 24 3.772 -5.395 7.743 181 1HA GLY 24 2HA GLY 24 1.307 -5.555 9.075 182 2HA GLY 24 3HA GLY 24 2.531 -6.816 9.049 183 H GLN 25 H GLN 25 0.700 -5.577 11.174 184 HA GLN 25 HA GLN 25 2.269 -4.266 13.090 185 1HB GLN 25 1HB GLN 25 -0.151 -4.282 13.235 186 2HB GLN 25 2HB GLN 25 -0.160 -6.029 13.443 187 1HG GLN 25 1HG GLN 25 0.921 -5.823 15.587 188 2HG GLN 25 2HG GLN 25 1.082 -4.081 15.372 189 1HE2 GLN 25 1HE2 GLN 25 -0.090 -3.604 17.211 190 2HE2 GLN 25 2HE2 GLN 25 -1.798 -3.836 17.313 191 H ASP 26 H ASP 26 2.259 -7.522 12.071 192 HA ASP 26 HA ASP 26 3.299 -8.634 14.516 193 1HB ASP 26 1HB ASP 26 3.835 -10.577 12.803 194 2HB ASP 26 2HB ASP 26 2.187 -10.275 13.346 195 H GLY 27 H GLY 27 4.738 -8.696 11.256 196 1HA GLY 27 2HA GLY 27 7.155 -7.420 12.121 197 2HA GLY 27 3HA GLY 27 7.340 -9.161 11.974 198 H SER 28 H SER 28 5.683 -6.660 10.046 199 HA SER 28 HA SER 28 7.323 -7.459 7.744 200 1HB SER 28 1HB SER 28 4.322 -7.363 7.907 201 2HB SER 28 2HB SER 28 5.146 -7.112 6.368 202 HG SER 28 HG SER 28 5.409 -9.381 8.057 203 H VAL 29 H VAL 29 7.660 -5.848 6.184 204 HA VAL 29 HA VAL 29 6.533 -3.207 6.607 205 HB VAL 29 HB VAL 29 9.510 -3.680 6.805 206 1HG1 VAL 29 1HG1 VAL 29 7.974 -1.362 6.010 207 2HG1 VAL 29 2HG1 VAL 29 8.955 -1.035 7.440 208 3HG1 VAL 29 3HG1 VAL 29 9.716 -1.629 5.963 209 1HG2 VAL 29 1HG2 VAL 29 7.493 -2.691 8.816 210 2HG2 VAL 29 2HG2 VAL 29 8.410 -4.196 8.884 211 3HG2 VAL 29 3HG2 VAL 29 9.241 -2.648 9.047 212 H VAL 30 H VAL 30 5.930 -2.583 4.649 213 HA VAL 30 HA VAL 30 7.772 -3.004 2.398 214 HB VAL 30 HB VAL 30 4.784 -3.410 2.227 215 1HG1 VAL 30 1HG1 VAL 30 7.013 -3.559 0.221 216 2HG1 VAL 30 2HG1 VAL 30 5.475 -4.387 -0.029 217 3HG1 VAL 30 3HG1 VAL 30 5.515 -2.631 0.139 218 1HG2 VAL 30 1HG2 VAL 30 5.545 -5.294 3.375 219 2HG2 VAL 30 2HG2 VAL 30 5.544 -5.806 1.687 220 3HG2 VAL 30 3HG2 VAL 30 7.058 -5.351 2.470 221 H GLN 31 H GLN 31 7.754 -1.414 0.813 222 HA GLN 31 HA GLN 31 6.249 1.019 1.515 223 1HB GLN 31 1HB GLN 31 8.811 0.948 -0.071 224 2HB GLN 31 2HB GLN 31 8.043 2.338 0.685 225 1HG GLN 31 1HG GLN 31 9.596 2.000 2.264 226 2HG GLN 31 2HG GLN 31 8.445 0.800 2.849 227 1HE2 GLN 31 1HE2 GLN 31 9.807 -0.666 3.699 228 2HE2 GLN 31 2HE2 GLN 31 11.005 -1.526 2.799 229 H PHE 32 H PHE 32 4.935 1.902 0.036 230 HA PHE 32 HA PHE 32 5.247 1.283 -2.784 231 1HB PHE 32 1HB PHE 32 3.294 -0.041 -1.109 232 2HB PHE 32 2HB PHE 32 2.501 0.898 -2.369 233 HD1 PHE 32 1HD PHE 32 2.846 0.366 -4.720 234 HD2 PHE 32 2HD PHE 32 4.624 -1.967 -1.636 235 HE1 PHE 32 1HE PHE 32 3.305 -1.424 -6.344 236 HE2 PHE 32 2HE PHE 32 5.088 -3.760 -3.255 237 HZ PHE 32 HZ PHE 32 4.429 -3.490 -5.613 238 H LYS 33 H LYS 33 3.987 2.650 -4.165 239 HA LYS 33 HA LYS 33 2.953 5.055 -2.811 240 1HB LYS 33 1HB LYS 33 5.189 5.266 -4.053 241 2HB LYS 33 2HB LYS 33 4.252 5.078 -5.529 242 1HG LYS 33 1HG LYS 33 2.924 7.053 -4.917 243 2HG LYS 33 2HG LYS 33 3.920 7.254 -3.473 244 1HD LYS 33 1HD LYS 33 4.677 8.736 -5.248 245 2HD LYS 33 2HD LYS 33 5.905 7.519 -4.893 246 1HE LYS 33 1HE LYS 33 5.453 6.327 -6.857 247 2HE LYS 33 2HE LYS 33 3.894 7.119 -7.084 248 1HZ LYS 33 1HZ LYS 33 5.127 8.261 -8.587 249 2HZ LYS 33 2HZ LYS 33 6.577 8.075 -7.736 250 3HZ LYS 33 3HZ LYS 33 5.444 9.226 -7.234 251 H ILE 34 H ILE 34 1.210 6.142 -3.813 252 HA ILE 34 HA ILE 34 -0.033 5.060 -6.169 253 HB ILE 34 HB ILE 34 -0.711 3.586 -4.119 254 1HG1 ILE 34 1HG1 ILE 34 -3.226 4.277 -5.351 255 2HG1 ILE 34 2HG1 ILE 34 -1.940 4.296 -6.553 256 1HG2 ILE 34 1HG2 ILE 34 -2.240 4.379 -2.630 257 2HG2 ILE 34 2HG2 ILE 34 -1.373 5.877 -2.963 258 3HG2 ILE 34 3HG2 ILE 34 -2.907 5.550 -3.768 259 1HD1 ILE 34 1HD1 ILE 34 -2.018 2.095 -6.670 260 2HD1 ILE 34 2HD1 ILE 34 -1.625 1.975 -4.955 261 3HD1 ILE 34 3HD1 ILE 34 -3.308 2.078 -5.469 262 H LYS 35 H LYS 35 -2.059 6.226 -6.711 263 HA LYS 35 HA LYS 35 -1.737 9.036 -6.135 264 1HB LYS 35 1HB LYS 35 -3.928 7.769 -7.774 265 2HB LYS 35 2HB LYS 35 -3.326 9.419 -7.869 266 1HG LYS 35 1HG LYS 35 -1.214 8.621 -8.762 267 2HG LYS 35 2HG LYS 35 -1.769 6.952 -8.618 268 1HD LYS 35 1HD LYS 35 -3.724 7.690 -10.116 269 2HD LYS 35 2HD LYS 35 -2.731 9.103 -10.478 270 1HE LYS 35 1HE LYS 35 -1.758 6.272 -10.798 271 2HE LYS 35 2HE LYS 35 -2.537 7.176 -12.095 272 1HZ LYS 35 1HZ LYS 35 -0.797 8.781 -12.055 273 2HZ LYS 35 2HZ LYS 35 -0.074 7.254 -12.136 274 3HZ LYS 35 3HZ LYS 35 -0.103 8.099 -10.671 275 H ARG 36 H ARG 36 -4.268 10.043 -6.208 276 HA ARG 36 HA ARG 36 -5.146 9.583 -3.518 277 1HB ARG 36 1HB ARG 36 -5.201 11.830 -4.420 278 2HB ARG 36 2HB ARG 36 -6.262 11.319 -5.726 279 1HG ARG 36 1HG ARG 36 -8.030 10.843 -4.121 280 2HG ARG 36 2HG ARG 36 -6.965 11.323 -2.798 281 1HD ARG 36 1HD ARG 36 -6.764 13.562 -4.012 282 2HD ARG 36 2HD ARG 36 -8.146 13.030 -4.969 283 HE ARG 36 HE ARG 36 -8.540 12.871 -2.118 284 1HH1 ARG 36 2HH1 ARG 36 -8.798 14.865 -4.960 285 2HH1 ARG 36 1HH1 ARG 36 -10.011 15.901 -4.282 286 1HH2 ARG 36 2HH2 ARG 36 -10.136 14.227 -1.215 287 2HH2 ARG 36 1HH2 ARG 36 -10.770 15.537 -2.151 288 H HIS 37 H HIS 37 -7.073 9.618 -6.517 289 HA HIS 37 HA HIS 37 -8.913 7.700 -5.331 290 1HB HIS 37 1HB HIS 37 -9.914 9.600 -6.438 291 2HB HIS 37 2HB HIS 37 -9.015 9.266 -7.915 292 HD1 HIS 37 1HD HIS 37 -11.046 8.905 -9.397 293 HD2 HIS 37 2HD HIS 37 -11.001 6.445 -6.049 294 HE1 HIS 37 1HE HIS 37 -12.874 7.220 -9.776 295 H THR 38 H THR 38 -7.406 5.916 -5.361 296 HA THR 38 HA THR 38 -7.350 4.593 -7.985 297 HB THR 38 HB THR 38 -5.045 4.669 -6.028 298 HG1 THR 38 1HG THR 38 -5.529 5.848 -8.556 299 1HG2 THR 38 1HG2 THR 38 -5.213 3.270 -8.698 300 2HG2 THR 38 2HG2 THR 38 -5.367 2.462 -7.138 301 3HG2 THR 38 3HG2 THR 38 -3.855 3.257 -7.574 302 HA PRO 39 HA PRO 39 -9.188 1.296 -5.682 303 1HB PRO 39 1HB PRO 39 -8.925 -0.643 -7.564 304 2HB PRO 39 2HB PRO 39 -10.129 0.647 -7.674 305 1HG PRO 39 1HG PRO 39 -7.461 0.427 -9.014 306 2HG PRO 39 2HG PRO 39 -9.011 0.963 -9.689 307 1HD PRO 39 1HD PRO 39 -7.085 2.698 -8.908 308 2HD PRO 39 2HD PRO 39 -8.815 3.076 -8.790 309 H LEU 40 H LEU 40 -7.957 0.641 -3.997 310 HA LEU 40 HA LEU 40 -5.314 -0.136 -3.993 311 1HB LEU 40 1HB LEU 40 -7.481 -1.250 -2.219 312 2HB LEU 40 2HB LEU 40 -5.753 -1.222 -1.873 313 HG LEU 40 HG LEU 40 -7.315 1.313 -2.259 314 1HD1 LEU 40 1HD1 LEU 40 -6.861 0.812 0.494 315 2HD1 LEU 40 2HD1 LEU 40 -7.711 -0.578 -0.182 316 3HD1 LEU 40 3HD1 LEU 40 -8.395 1.039 -0.346 317 1HD2 LEU 40 1HD2 LEU 40 -5.163 1.992 -2.194 318 2HD2 LEU 40 2HD2 LEU 40 -4.613 0.534 -1.367 319 3HD2 LEU 40 3HD2 LEU 40 -5.392 1.826 -0.453 320 H SER 41 H SER 41 -8.089 -1.909 -5.046 321 HA SER 41 HA SER 41 -7.336 -4.537 -4.804 322 1HB SER 41 1HB SER 41 -9.480 -3.597 -5.817 323 2HB SER 41 2HB SER 41 -8.582 -3.442 -7.327 324 HG SER 41 HG SER 41 -9.357 -5.425 -7.525 325 H LYS 42 H LYS 42 -6.420 -2.275 -7.384 326 HA LYS 42 HA LYS 42 -4.983 -3.957 -9.024 327 1HB LYS 42 1HB LYS 42 -3.799 -2.006 -9.810 328 2HB LYS 42 2HB LYS 42 -5.472 -1.566 -9.490 329 1HG LYS 42 1HG LYS 42 -4.524 0.188 -8.457 330 2HG LYS 42 2HG LYS 42 -4.374 -0.950 -7.116 331 1HD LYS 42 1HD LYS 42 -2.225 -0.151 -7.238 332 2HD LYS 42 2HD LYS 42 -2.109 -1.554 -8.302 333 1HE LYS 42 1HE LYS 42 -2.899 1.050 -9.497 334 2HE LYS 42 2HE LYS 42 -1.215 0.835 -9.022 335 1HZ LYS 42 1HZ LYS 42 -1.537 -1.401 -10.332 336 2HZ LYS 42 2HZ LYS 42 -1.139 0.034 -11.133 337 3HZ LYS 42 3HZ LYS 42 -2.740 -0.513 -11.123 338 H LEU 43 H LEU 43 -4.023 -2.521 -5.967 339 HA LEU 43 HA LEU 43 -1.276 -3.279 -6.156 340 1HB LEU 43 1HB LEU 43 -2.516 -1.503 -4.647 341 2HB LEU 43 2HB LEU 43 -2.606 -2.860 -3.527 342 HG LEU 43 HG LEU 43 -0.709 -1.593 -2.909 343 1HD1 LEU 43 1HD1 LEU 43 0.583 -3.716 -4.563 344 2HD1 LEU 43 2HD1 LEU 43 -0.516 -4.163 -3.258 345 3HD1 LEU 43 3HD1 LEU 43 0.929 -3.213 -2.908 346 1HD2 LEU 43 1HD2 LEU 43 -0.646 -0.720 -5.478 347 2HD2 LEU 43 2HD2 LEU 43 0.749 -1.799 -5.449 348 3HD2 LEU 43 3HD2 LEU 43 0.643 -0.463 -4.302 349 H MET 44 H MET 44 -4.086 -4.599 -4.424 350 HA MET 44 HA MET 44 -2.867 -6.689 -3.095 351 1HB MET 44 1HB MET 44 -5.353 -5.874 -3.130 352 2HB MET 44 2HB MET 44 -5.543 -7.094 -4.382 353 1HG MET 44 1HG MET 44 -4.528 -8.731 -2.731 354 2HG MET 44 2HG MET 44 -4.761 -7.479 -1.513 355 1HE MET 44 1HE MET 44 -7.472 -8.324 -4.536 356 2HE MET 44 2HE MET 44 -6.277 -9.584 -4.229 357 3HE MET 44 3HE MET 44 -7.961 -9.835 -3.768 358 H LYS 45 H LYS 45 -4.362 -6.801 -6.331 359 HA LYS 45 HA LYS 45 -3.809 -9.420 -6.984 360 1HB LYS 45 1HB LYS 45 -5.133 -7.718 -8.323 361 2HB LYS 45 2HB LYS 45 -3.594 -7.135 -8.943 362 1HG LYS 45 1HG LYS 45 -3.139 -9.405 -9.821 363 2HG LYS 45 2HG LYS 45 -4.753 -9.891 -9.296 364 1HD LYS 45 1HD LYS 45 -5.538 -7.848 -10.700 365 2HD LYS 45 2HD LYS 45 -3.956 -7.993 -11.470 366 1HE LYS 45 1HE LYS 45 -4.473 -10.363 -11.975 367 2HE LYS 45 2HE LYS 45 -6.085 -10.124 -11.302 368 1HZ LYS 45 1HZ LYS 45 -5.693 -8.099 -13.148 369 2HZ LYS 45 2HZ LYS 45 -6.720 -9.435 -13.293 370 3HZ LYS 45 3HZ LYS 45 -5.141 -9.514 -13.893 371 H ALA 46 H ALA 46 -1.764 -6.585 -7.687 372 HA ALA 46 HA ALA 46 0.379 -7.988 -8.811 373 1HB ALA 46 1HB ALA 46 0.230 -5.326 -7.422 374 2HB ALA 46 2HB ALA 46 1.720 -5.943 -8.138 375 3HB ALA 46 3HB ALA 46 0.307 -5.658 -9.153 376 H TYR 47 H TYR 47 -0.303 -7.106 -5.455 377 HA TYR 47 HA TYR 47 2.080 -7.744 -4.242 378 1HB TYR 47 1HB TYR 47 -0.343 -6.993 -3.328 379 2HB TYR 47 2HB TYR 47 -0.357 -8.685 -2.842 380 HD1 TYR 47 1HD TYR 47 -0.132 -5.872 -1.281 381 HD2 TYR 47 2HD TYR 47 2.536 -9.055 -2.206 382 HE1 TYR 47 1HE TYR 47 1.217 -5.309 0.698 383 HE2 TYR 47 2HE TYR 47 3.891 -8.502 -0.229 384 HH TYR 47 HH TYR 47 2.890 -5.981 2.038 385 H CYS 48 H CYS 48 -0.684 -9.994 -4.271 386 HA CYS 48 HA CYS 48 0.678 -12.265 -3.514 387 1HB CYS 48 1HB CYS 48 -1.647 -12.467 -3.528 388 2HB CYS 48 2HB CYS 48 -1.791 -11.835 -5.163 389 HG CYS 48 HG CYS 48 -1.364 -14.086 -6.475 390 H GLU 49 H GLU 49 0.455 -10.790 -6.683 391 HA GLU 49 HA GLU 49 1.295 -12.834 -8.328 392 1HB GLU 49 1HB GLU 49 0.711 -10.289 -8.782 393 2HB GLU 49 2HB GLU 49 2.461 -10.120 -8.752 394 1HG GLU 49 1HG GLU 49 2.743 -11.527 -10.603 395 2HG GLU 49 2HG GLU 49 1.102 -12.159 -10.478 396 H ARG 50 H ARG 50 3.253 -10.704 -6.297 397 HA ARG 50 HA ARG 50 5.659 -12.199 -7.053 398 1HB ARG 50 1HB ARG 50 6.883 -10.386 -5.880 399 2HB ARG 50 2HB ARG 50 5.889 -9.800 -7.207 400 1HG ARG 50 1HG ARG 50 4.490 -8.657 -5.842 401 2HG ARG 50 2HG ARG 50 4.657 -9.814 -4.520 402 1HD ARG 50 1HD ARG 50 5.662 -7.560 -4.085 403 2HD ARG 50 2HD ARG 50 6.770 -8.918 -3.896 404 HE ARG 50 HE ARG 50 7.010 -7.982 -6.510 405 1HH1 ARG 50 2HH1 ARG 50 7.616 -6.882 -3.263 406 2HH1 ARG 50 1HH1 ARG 50 8.923 -5.841 -3.720 407 1HH2 ARG 50 2HH2 ARG 50 8.730 -6.615 -7.125 408 2HH2 ARG 50 1HH2 ARG 50 9.555 -5.689 -5.917 409 H GLN 51 H GLN 51 3.475 -11.625 -4.419 410 HA GLN 51 HA GLN 51 4.890 -13.640 -2.844 411 1HB GLN 51 1HB GLN 51 4.220 -10.854 -1.935 412 2HB GLN 51 2HB GLN 51 4.361 -12.174 -0.782 413 1HG GLN 51 1HG GLN 51 6.662 -12.587 -1.809 414 2HG GLN 51 2HG GLN 51 6.477 -10.995 -2.544 415 1HE2 GLN 51 1HE2 GLN 51 8.533 -11.530 -0.812 416 2HE2 GLN 51 2HE2 GLN 51 8.297 -10.651 0.656 417 H GLY 52 H GLY 52 2.992 -14.782 -3.829 418 1HA GLY 52 2HA GLY 52 0.363 -14.136 -2.874 419 2HA GLY 52 3HA GLY 52 0.828 -15.587 -3.751 420 H LEU 53 H LEU 53 1.300 -14.083 -0.553 421 HA LEU 53 HA LEU 53 1.372 -16.748 0.649 422 1HB LEU 53 1HB LEU 53 1.765 -14.117 2.049 423 2HB LEU 53 2HB LEU 53 2.249 -15.721 2.596 424 HG LEU 53 HG LEU 53 3.460 -14.279 0.238 425 1HD1 LEU 53 1HD1 LEU 53 4.012 -13.055 2.218 426 2HD1 LEU 53 2HD1 LEU 53 5.419 -14.008 1.749 427 3HD1 LEU 53 3HD1 LEU 53 4.402 -14.539 3.088 428 1HD2 LEU 53 1HD2 LEU 53 3.687 -16.640 -0.011 429 2HD2 LEU 53 2HD2 LEU 53 4.156 -16.832 1.679 430 3HD2 LEU 53 3HD2 LEU 53 5.237 -16.013 0.551 431 H SER 54 H SER 54 -0.663 -13.971 0.337 432 HA SER 54 HA SER 54 -2.713 -15.332 1.932 433 1HB SER 54 1HB SER 54 -1.623 -12.586 2.371 434 2HB SER 54 2HB SER 54 -3.348 -12.849 2.627 435 HG SER 54 HG SER 54 -1.153 -13.939 3.995 436 H MET 55 H MET 55 -4.053 -15.861 0.297 437 HA MET 55 HA MET 55 -4.611 -14.026 -1.859 438 1HB MET 55 1HB MET 55 -6.036 -16.617 -1.257 439 2HB MET 55 2HB MET 55 -5.936 -15.779 -2.800 440 1HG MET 55 1HG MET 55 -3.426 -16.176 -2.666 441 2HG MET 55 2HG MET 55 -3.793 -17.303 -1.363 442 1HE MET 55 1HE MET 55 -4.419 -20.430 -2.913 443 2HE MET 55 2HE MET 55 -2.818 -19.695 -3.002 444 3HE MET 55 3HE MET 55 -3.843 -19.408 -1.595 445 H ARG 56 H ARG 56 -6.176 -15.121 1.081 446 HA ARG 56 HA ARG 56 -8.203 -13.033 0.711 447 1HB ARG 56 1HB ARG 56 -8.815 -15.823 1.704 448 2HB ARG 56 2HB ARG 56 -9.963 -14.502 1.530 449 1HG ARG 56 1HG ARG 56 -8.424 -15.512 -0.828 450 2HG ARG 56 2HG ARG 56 -9.887 -16.330 -0.276 451 1HD ARG 56 1HD ARG 56 -9.653 -13.440 -1.107 452 2HD ARG 56 2HD ARG 56 -10.411 -14.735 -2.032 453 HE ARG 56 HE ARG 56 -11.620 -14.549 0.506 454 1HH1 ARG 56 2HH1 ARG 56 -11.407 -12.851 -2.526 455 2HH1 ARG 56 1HH1 ARG 56 -12.972 -12.122 -2.377 456 1HH2 ARG 56 2HH2 ARG 56 -13.682 -13.595 0.713 457 2HH2 ARG 56 1HH2 ARG 56 -14.265 -12.546 -0.534 458 H GLN 57 H GLN 57 -5.743 -13.212 2.299 459 HA GLN 57 HA GLN 57 -6.908 -13.041 5.000 460 1HB GLN 57 1HB GLN 57 -4.376 -14.185 4.000 461 2HB GLN 57 2HB GLN 57 -4.245 -13.239 5.477 462 1HG GLN 57 1HG GLN 57 -5.994 -15.643 5.021 463 2HG GLN 57 2HG GLN 57 -4.551 -15.553 6.029 464 1HE2 GLN 57 1HE2 GLN 57 -7.218 -16.338 6.792 465 2HE2 GLN 57 2HE2 GLN 57 -7.724 -15.243 8.028 466 H ILE 58 H ILE 58 -5.092 -11.442 2.530 467 HA ILE 58 HA ILE 58 -3.887 -9.398 4.019 468 HB ILE 58 HB ILE 58 -4.912 -9.322 1.179 469 1HG1 ILE 58 1HG1 ILE 58 -3.193 -11.054 1.668 470 2HG1 ILE 58 2HG1 ILE 58 -2.627 -9.822 0.545 471 1HG2 ILE 58 1HG2 ILE 58 -2.876 -7.542 1.258 472 2HG2 ILE 58 2HG2 ILE 58 -4.579 -7.111 1.415 473 3HG2 ILE 58 3HG2 ILE 58 -3.582 -7.310 2.857 474 1HD1 ILE 58 1HD1 ILE 58 -1.443 -10.673 2.951 475 2HD1 ILE 58 2HD1 ILE 58 -0.902 -9.402 1.854 476 3HD1 ILE 58 3HD1 ILE 58 -1.980 -9.011 3.194 477 H ARG 59 H ARG 59 -4.613 -7.555 4.903 478 HA ARG 59 HA ARG 59 -7.101 -6.349 4.096 479 1HB ARG 59 1HB ARG 59 -6.863 -7.920 6.619 480 2HB ARG 59 2HB ARG 59 -7.794 -6.429 6.657 481 1HG ARG 59 1HG ARG 59 -9.059 -7.361 4.653 482 2HG ARG 59 2HG ARG 59 -8.301 -8.906 5.046 483 1HD ARG 59 1HD ARG 59 -10.225 -9.113 6.253 484 2HD ARG 59 2HD ARG 59 -9.207 -8.327 7.460 485 HE ARG 59 HE ARG 59 -10.482 -6.316 6.033 486 1HH1 ARG 59 2HH1 ARG 59 -11.349 -8.959 8.126 487 2HH1 ARG 59 1HH1 ARG 59 -12.773 -8.182 8.734 488 1HH2 ARG 59 2HH2 ARG 59 -12.354 -5.282 6.826 489 2HH2 ARG 59 1HH2 ARG 59 -13.344 -6.091 7.993 490 H PHE 60 H PHE 60 -6.938 -4.211 4.302 491 HA PHE 60 HA PHE 60 -4.627 -3.097 5.633 492 1HB PHE 60 1HB PHE 60 -6.713 -2.084 3.762 493 2HB PHE 60 2HB PHE 60 -5.878 -0.910 4.773 494 HD1 PHE 60 1HD PHE 60 -5.665 -3.062 1.891 495 HD2 PHE 60 2HD PHE 60 -3.403 -0.695 4.612 496 HE1 PHE 60 1HE PHE 60 -3.781 -3.048 0.309 497 HE2 PHE 60 2HE PHE 60 -1.517 -0.677 3.033 498 HZ PHE 60 HZ PHE 60 -1.704 -1.853 0.878 499 H ARG 61 H ARG 61 -4.582 -2.132 7.565 500 HA ARG 61 HA ARG 61 -7.020 -1.100 8.764 501 1HB ARG 61 1HB ARG 61 -6.579 -3.631 9.347 502 2HB ARG 61 2HB ARG 61 -5.398 -2.953 10.459 503 1HG ARG 61 1HG ARG 61 -7.367 -1.466 11.251 504 2HG ARG 61 2HG ARG 61 -8.371 -2.689 10.470 505 1HD ARG 61 1HD ARG 61 -8.096 -3.202 12.825 506 2HD ARG 61 2HD ARG 61 -7.299 -4.424 11.834 507 HE ARG 61 HE ARG 61 -5.540 -2.318 12.673 508 1HH1 ARG 61 2HH1 ARG 61 -6.987 -5.352 13.579 509 2HH1 ARG 61 1HH1 ARG 61 -5.733 -5.765 14.701 510 1HH2 ARG 61 2HH2 ARG 61 -3.882 -2.850 14.147 511 2HH2 ARG 61 1HH2 ARG 61 -3.968 -4.340 15.024 512 H PHE 62 H PHE 62 -6.660 0.579 10.135 513 HA PHE 62 HA PHE 62 -3.843 1.288 10.628 514 1HB PHE 62 1HB PHE 62 -5.169 2.792 9.085 515 2HB PHE 62 2HB PHE 62 -6.164 3.214 10.475 516 HD1 PHE 62 1HD PHE 62 -5.667 5.238 11.408 517 HD2 PHE 62 2HD PHE 62 -2.510 2.909 9.756 518 HE1 PHE 62 1HE PHE 62 -4.054 6.988 12.032 519 HE2 PHE 62 2HE PHE 62 -0.892 4.655 10.378 520 HZ PHE 62 HZ PHE 62 -1.663 6.697 11.518 521 H ASP 63 H ASP 63 -3.468 2.614 12.584 522 HA ASP 63 HA ASP 63 -4.708 1.378 14.855 523 1HB ASP 63 1HB ASP 63 -2.258 2.125 14.623 524 2HB ASP 63 2HB ASP 63 -2.853 3.748 14.962 525 H GLY 64 H GLY 64 -6.849 2.356 13.868 526 1HA GLY 64 2HA GLY 64 -7.761 4.287 15.740 527 2HA GLY 64 3HA GLY 64 -7.530 5.029 14.164 528 H GLN 65 H GLN 65 -8.265 2.657 12.667 529 HA GLN 65 HA GLN 65 -10.813 1.710 13.388 530 1HB GLN 65 1HB GLN 65 -12.050 3.011 11.531 531 2HB GLN 65 2HB GLN 65 -11.774 3.811 13.073 532 1HG GLN 65 1HG GLN 65 -10.201 5.241 12.209 533 2HG GLN 65 2HG GLN 65 -9.792 4.159 10.878 534 1HE2 GLN 65 1HE2 GLN 65 -10.322 6.906 10.606 535 2HE2 GLN 65 2HE2 GLN 65 -11.751 7.086 9.652 536 HA PRO 66 HA PRO 66 -9.977 -1.038 10.073 537 1HB PRO 66 1HB PRO 66 -12.477 -1.754 9.296 538 2HB PRO 66 2HB PRO 66 -11.749 -2.299 10.811 539 1HG PRO 66 1HG PRO 66 -13.698 -0.077 10.338 540 2HG PRO 66 2HG PRO 66 -13.680 -1.293 11.628 541 1HD PRO 66 1HD PRO 66 -12.790 1.237 11.999 542 2HD PRO 66 2HD PRO 66 -12.092 -0.155 12.851 543 H ILE 67 H ILE 67 -10.470 -1.488 7.742 544 HA ILE 67 HA ILE 67 -11.458 0.842 6.271 545 HB ILE 67 HB ILE 67 -8.833 -0.467 5.572 546 1HG1 ILE 67 1HG1 ILE 67 -9.317 2.181 6.955 547 2HG1 ILE 67 2HG1 ILE 67 -8.649 0.740 7.714 548 1HG2 ILE 67 1HG2 ILE 67 -9.096 2.135 4.512 549 2HG2 ILE 67 2HG2 ILE 67 -9.071 0.601 3.643 550 3HG2 ILE 67 3HG2 ILE 67 -10.605 1.283 4.183 551 1HD1 ILE 67 1HD1 ILE 67 -6.820 2.125 7.242 552 2HD1 ILE 67 2HD1 ILE 67 -6.794 0.877 5.996 553 3HD1 ILE 67 3HD1 ILE 67 -7.407 2.487 5.618 554 H ASN 68 H ASN 68 -12.406 0.375 4.327 555 HA ASN 68 HA ASN 68 -12.939 -2.442 3.822 556 1HB ASN 68 1HB ASN 68 -14.202 0.139 3.005 557 2HB ASN 68 2HB ASN 68 -14.458 -1.277 1.990 558 1HD2 ASN 68 1HD2 ASN 68 -16.648 -1.329 2.474 559 2HD2 ASN 68 2HD2 ASN 68 -17.238 -1.856 4.010 560 H GLU 69 H GLU 69 -12.846 -3.317 1.642 561 HA GLU 69 HA GLU 69 -10.351 -2.746 0.389 562 1HB GLU 69 1HB GLU 69 -11.026 -4.486 -1.233 563 2HB GLU 69 2HB GLU 69 -11.194 -5.015 0.435 564 1HG GLU 69 1HG GLU 69 -13.665 -4.120 0.062 565 2HG GLU 69 2HG GLU 69 -13.266 -4.498 -1.613 566 H THR 70 H THR 70 -13.719 -2.055 -0.374 567 HA THR 70 HA THR 70 -13.190 -1.000 -2.975 568 HB THR 70 HB THR 70 -15.413 -1.896 -2.279 569 HG1 THR 70 1HG THR 70 -15.002 -0.226 -4.010 570 1HG2 THR 70 1HG2 THR 70 -15.874 0.738 -0.910 571 2HG2 THR 70 2HG2 THR 70 -15.295 -0.670 -0.021 572 3HG2 THR 70 3HG2 THR 70 -16.851 -0.727 -0.847 573 H ASP 71 H ASP 71 -13.223 0.295 0.254 574 HA ASP 71 HA ASP 71 -13.503 3.027 -0.359 575 1HB ASP 71 1HB ASP 71 -13.411 1.651 1.945 576 2HB ASP 71 2HB ASP 71 -11.759 2.263 1.920 577 H THR 72 H THR 72 -11.742 4.667 -0.021 578 HA THR 72 HA THR 72 -9.208 3.739 -1.207 579 HB THR 72 HB THR 72 -9.209 6.226 -2.127 580 HG1 THR 72 1HG THR 72 -11.175 7.076 -2.383 581 1HG2 THR 72 1HG2 THR 72 -10.930 4.218 -3.554 582 2HG2 THR 72 2HG2 THR 72 -9.193 3.976 -3.363 583 3HG2 THR 72 3HG2 THR 72 -9.797 5.384 -4.236 584 HA PRO 73 HA PRO 73 -7.053 5.813 2.005 585 1HB PRO 73 1HB PRO 73 -4.881 6.789 0.701 586 2HB PRO 73 2HB PRO 73 -5.104 5.069 1.042 587 1HG PRO 73 1HG PRO 73 -5.624 6.580 -1.489 588 2HG PRO 73 2HG PRO 73 -4.861 4.995 -1.269 589 1HD PRO 73 1HD PRO 73 -7.441 5.274 -2.039 590 2HD PRO 73 2HD PRO 73 -6.883 3.911 -1.048 591 H ALA 74 H ALA 74 -8.371 7.536 -0.594 592 HA ALA 74 HA ALA 74 -7.449 10.152 0.167 593 1HB ALA 74 1HB ALA 74 -8.007 9.683 -2.151 594 2HB ALA 74 2HB ALA 74 -9.674 9.328 -1.695 595 3HB ALA 74 3HB ALA 74 -9.039 10.963 -1.514 596 H GLN 75 H GLN 75 -10.311 8.184 0.729 597 HA GLN 75 HA GLN 75 -11.615 10.343 2.185 598 1HB GLN 75 1HB GLN 75 -12.573 7.512 1.742 599 2HB GLN 75 2HB GLN 75 -13.530 8.869 2.322 600 1HG GLN 75 1HG GLN 75 -13.405 9.956 0.203 601 2HG GLN 75 2HG GLN 75 -12.241 8.773 -0.392 602 1HE2 GLN 75 1HE2 GLN 75 -15.571 9.303 0.528 603 2HE2 GLN 75 2HE2 GLN 75 -16.223 7.942 -0.312 604 H LEU 76 H LEU 76 -9.174 8.493 2.964 605 HA LEU 76 HA LEU 76 -10.143 7.943 5.693 606 1HB LEU 76 1HB LEU 76 -8.320 6.434 3.890 607 2HB LEU 76 2HB LEU 76 -8.019 6.378 5.626 608 HG LEU 76 HG LEU 76 -9.346 4.463 4.715 609 1HD1 LEU 76 1HD1 LEU 76 -9.502 5.680 7.104 610 2HD1 LEU 76 2HD1 LEU 76 -10.411 4.228 6.688 611 3HD1 LEU 76 3HD1 LEU 76 -11.183 5.811 6.587 612 1HD2 LEU 76 1HD2 LEU 76 -11.737 6.227 4.618 613 2HD2 LEU 76 2HD2 LEU 76 -11.419 4.703 3.789 614 3HD2 LEU 76 3HD2 LEU 76 -10.666 6.193 3.217 615 H GLU 77 H GLU 77 -8.001 9.726 3.764 616 HA GLU 77 HA GLU 77 -6.401 11.271 4.242 617 1HB GLU 77 1HB GLU 77 -7.116 10.962 7.153 618 2HB GLU 77 2HB GLU 77 -6.442 12.371 6.346 619 1HG GLU 77 1HG GLU 77 -8.682 12.241 4.974 620 2HG GLU 77 2HG GLU 77 -9.237 11.369 6.401 621 H MET 78 H MET 78 -5.598 8.612 4.000 622 HA MET 78 HA MET 78 -3.545 8.282 6.073 623 1HB MET 78 1HB MET 78 -4.352 6.298 3.944 624 2HB MET 78 2HB MET 78 -3.355 5.992 5.360 625 1HG MET 78 1HG MET 78 -5.795 7.035 6.296 626 2HG MET 78 2HG MET 78 -6.187 5.826 5.076 627 1HE MET 78 1HE MET 78 -7.265 5.619 7.620 628 2HE MET 78 2HE MET 78 -6.793 4.162 8.493 629 3HE MET 78 3HE MET 78 -6.105 5.722 8.944 630 H GLU 79 H GLU 79 -2.543 10.210 4.904 631 HA GLU 79 HA GLU 79 -0.746 9.185 2.810 632 1HB GLU 79 1HB GLU 79 -1.456 12.079 2.833 633 2HB GLU 79 2HB GLU 79 -0.994 11.049 1.485 634 1HG GLU 79 1HG GLU 79 -3.209 9.946 1.637 635 2HG GLU 79 2HG GLU 79 -3.659 11.115 2.877 636 H ASP 80 H ASP 80 0.903 11.367 2.561 637 HA ASP 80 HA ASP 80 2.730 12.372 3.470 638 1HB ASP 80 1HB ASP 80 0.758 13.272 4.985 639 2HB ASP 80 2HB ASP 80 1.549 12.289 6.214 640 H GLU 81 H GLU 81 2.937 9.682 3.139 641 HA GLU 81 HA GLU 81 4.244 7.909 3.707 642 1HB GLU 81 1HB GLU 81 5.375 9.607 5.926 643 2HB GLU 81 2HB GLU 81 6.143 8.258 5.101 644 1HG GLU 81 1HG GLU 81 6.181 9.597 3.027 645 2HG GLU 81 2HG GLU 81 5.515 10.957 3.929 646 H ASP 82 H ASP 82 1.689 7.883 4.686 647 HA ASP 82 HA ASP 82 1.655 7.304 7.500 648 1HB ASP 82 1HB ASP 82 -0.272 8.133 5.879 649 2HB ASP 82 2HB ASP 82 -0.538 6.403 5.686 650 H THR 83 H THR 83 1.643 5.348 8.510 651 HA THR 83 HA THR 83 2.309 3.025 6.832 652 HB THR 83 HB THR 83 2.818 3.263 9.795 653 HG1 THR 83 1HG THR 83 4.930 3.906 9.214 654 1HG2 THR 83 1HG2 THR 83 3.060 1.155 7.930 655 2HG2 THR 83 2HG2 THR 83 3.587 1.181 9.613 656 3HG2 THR 83 3HG2 THR 83 4.696 1.676 8.334 657 H ILE 84 H ILE 84 0.455 1.965 6.415 658 HA ILE 84 HA ILE 84 -1.545 1.638 8.508 659 HB ILE 84 HB ILE 84 -1.659 0.594 5.680 660 1HG1 ILE 84 1HG1 ILE 84 -2.661 3.225 6.791 661 2HG1 ILE 84 2HG1 ILE 84 -1.346 3.021 5.640 662 1HG2 ILE 84 1HG2 ILE 84 -3.212 -0.433 7.281 663 2HG2 ILE 84 2HG2 ILE 84 -3.840 1.164 7.682 664 3HG2 ILE 84 3HG2 ILE 84 -4.056 0.516 6.057 665 1HD1 ILE 84 1HD1 ILE 84 -2.897 2.167 3.988 666 2HD1 ILE 84 2HD1 ILE 84 -4.223 2.298 5.143 667 3HD1 ILE 84 3HD1 ILE 84 -3.411 3.752 4.565 668 H ASP 85 H ASP 85 -1.550 -0.064 9.804 669 HA ASP 85 HA ASP 85 0.246 -2.221 9.554 670 1HB ASP 85 1HB ASP 85 -2.172 -1.741 11.283 671 2HB ASP 85 2HB ASP 85 -1.280 -3.258 11.355 672 H VAL 86 H VAL 86 0.147 -3.653 7.950 673 HA VAL 86 HA VAL 86 -2.388 -4.442 6.791 674 HB VAL 86 HB VAL 86 -0.137 -4.076 5.542 675 1HG1 VAL 86 1HG1 VAL 86 1.415 -5.761 5.484 676 2HG1 VAL 86 2HG1 VAL 86 0.886 -5.877 7.164 677 3HG1 VAL 86 3HG1 VAL 86 0.253 -6.999 5.959 678 1HG2 VAL 86 1HG2 VAL 86 -1.889 -4.708 4.193 679 2HG2 VAL 86 2HG2 VAL 86 -0.804 -6.084 3.996 680 3HG2 VAL 86 3HG2 VAL 86 -2.184 -6.199 5.088 681 H PHE 87 H PHE 87 -3.311 -6.463 6.874 682 HA PHE 87 HA PHE 87 -2.265 -8.238 8.975 683 1HB PHE 87 1HB PHE 87 -4.639 -7.144 9.074 684 2HB PHE 87 2HB PHE 87 -5.068 -8.403 7.920 685 HD1 PHE 87 1HD PHE 87 -6.235 -10.090 8.935 686 HD2 PHE 87 2HD PHE 87 -2.963 -8.320 11.003 687 HE1 PHE 87 1HE PHE 87 -6.551 -11.678 10.787 688 HE2 PHE 87 2HE PHE 87 -3.273 -9.906 12.858 689 HZ PHE 87 HZ PHE 87 -5.068 -11.588 12.752 690 H GLN 88 H GLN 88 -1.036 -9.751 8.026 691 HA GLN 88 HA GLN 88 -2.216 -11.242 5.777 692 1HB GLN 88 1HB GLN 88 0.218 -11.697 5.120 693 2HB GLN 88 2HB GLN 88 -0.423 -10.093 4.788 694 1HG GLN 88 1HG GLN 88 0.894 -9.087 6.345 695 2HG GLN 88 2HG GLN 88 0.965 -10.518 7.372 696 1HE2 GLN 88 1HE2 GLN 88 2.744 -11.706 7.315 697 2HE2 GLN 88 2HE2 GLN 88 3.992 -11.596 6.125 698 H GLN 89 H GLN 89 -3.090 -12.768 7.226 699 HA GLN 89 HA GLN 89 -1.374 -14.192 9.049 700 1HB GLN 89 1HB GLN 89 -3.814 -13.753 9.459 701 2HB GLN 89 2HB GLN 89 -4.177 -14.909 8.184 702 1HG GLN 89 1HG GLN 89 -2.430 -15.745 10.445 703 2HG GLN 89 2HG GLN 89 -4.172 -15.634 10.692 704 1HE2 GLN 89 1HE2 GLN 89 -3.242 -18.028 11.062 705 2HE2 GLN 89 2HE2 GLN 89 -3.549 -19.080 9.727 706 H GLN 90 H GLN 90 -0.354 -16.082 8.733 707 HA GLN 90 HA GLN 90 -0.827 -17.477 6.181 708 1HB GLN 90 1HB GLN 90 1.655 -18.187 6.511 709 2HB GLN 90 2HB GLN 90 1.292 -16.592 5.866 710 1HG GLN 90 1HG GLN 90 3.087 -16.669 7.606 711 2HG GLN 90 2HG GLN 90 1.768 -15.544 7.928 712 1HE2 GLN 90 1HE2 GLN 90 3.154 -18.646 8.771 713 2HE2 GLN 90 2HE2 GLN 90 2.393 -18.782 10.316 714 H THR 91 H THR 91 -0.296 -19.783 6.195 715 HA THR 91 HA THR 91 -1.011 -20.986 8.775 716 HB THR 91 HB THR 91 -1.079 -22.271 6.039 717 HG1 THR 91 1HG THR 91 -2.996 -20.807 7.508 718 1HG2 THR 91 1HG2 THR 91 -2.887 -23.425 7.902 719 2HG2 THR 91 2HG2 THR 91 -1.303 -23.329 8.671 720 3HG2 THR 91 3HG2 THR 91 -1.486 -24.167 7.131 721 H GLY 92 H GLY 92 1.519 -20.803 6.418 722 1HA GLY 92 2HA GLY 92 3.180 -22.505 8.134 723 2HA GLY 92 3HA GLY 92 3.057 -22.918 6.430 724 H GLY 93 H GLY 93 2.907 -19.575 7.125 725 1HA GLY 93 2HA GLY 93 5.614 -19.263 6.025 726 2HA GLY 93 3HA GLY 93 4.350 -18.042 6.000 727 H VAL 94 H VAL 94 5.306 -16.374 7.029 728 HA VAL 94 HA VAL 94 5.781 -16.671 9.875 729 HB VAL 94 HB VAL 94 7.989 -15.457 9.705 730 1HG1 VAL 94 1HG1 VAL 94 7.940 -18.216 8.491 731 2HG1 VAL 94 2HG1 VAL 94 9.265 -17.472 9.389 732 3HG1 VAL 94 3HG1 VAL 94 7.756 -17.875 10.211 733 1HG2 VAL 94 1HG2 VAL 94 7.712 -16.286 6.820 734 2HG2 VAL 94 2HG2 VAL 94 7.865 -14.645 7.447 735 3HG2 VAL 94 3HG2 VAL 94 9.223 -15.764 7.565 736 H TYR 95 H TYR 95 6.596 -14.388 10.717 737 HA TYR 95 HA TYR 95 4.551 -12.526 9.913 738 1HB TYR 95 1HB TYR 95 5.522 -11.110 11.743 739 2HB TYR 95 2HB TYR 95 5.003 -12.709 12.263 740 HD1 TYR 95 1HD TYR 95 8.051 -10.882 11.121 741 HD2 TYR 95 2HD TYR 95 6.455 -14.019 13.511 742 HE1 TYR 95 1HE TYR 95 10.285 -11.291 12.065 743 HE2 TYR 95 2HE TYR 95 8.684 -14.436 14.462 744 HH TYR 95 HH TYR 95 11.038 -14.065 13.868 Start of MODEL 11 1 1H MET 1 1H MET 1 17.012 -17.719 -6.159 2 HA MET 1 HA MET 1 15.865 -16.296 -8.145 3 1HB MET 1 1HB MET 1 14.883 -17.173 -5.896 4 2HB MET 1 2HB MET 1 15.205 -15.544 -5.317 5 1HG MET 1 1HG MET 1 13.790 -14.625 -7.068 6 2HG MET 1 2HG MET 1 13.491 -16.247 -7.688 7 1HE MET 1 1HE MET 1 11.468 -16.835 -7.665 8 2HE MET 1 2HE MET 1 11.362 -17.938 -6.293 9 3HE MET 1 3HE MET 1 10.196 -16.625 -6.462 10 H ALA 2 H ALA 2 15.707 -14.208 -8.833 11 HA ALA 2 HA ALA 2 17.830 -12.432 -8.187 12 1HB ALA 2 1HB ALA 2 15.475 -11.349 -9.599 13 2HB ALA 2 2HB ALA 2 17.188 -11.261 -10.010 14 3HB ALA 2 3HB ALA 2 16.274 -12.729 -10.353 15 H ASP 3 H ASP 3 17.234 -10.017 -7.785 16 HA ASP 3 HA ASP 3 14.978 -9.479 -6.125 17 1HB ASP 3 1HB ASP 3 16.545 -8.865 -4.126 18 2HB ASP 3 2HB ASP 3 16.007 -10.529 -4.330 19 H GLU 4 H GLU 4 14.552 -7.349 -6.139 20 HA GLU 4 HA GLU 4 16.502 -5.598 -7.424 21 1HB GLU 4 1HB GLU 4 13.548 -5.520 -7.002 22 2HB GLU 4 2HB GLU 4 14.401 -4.000 -7.226 23 1HG GLU 4 1HG GLU 4 13.764 -4.521 -9.370 24 2HG GLU 4 2HG GLU 4 15.408 -5.153 -9.311 25 H LYS 5 H LYS 5 16.737 -3.364 -6.597 26 HA LYS 5 HA LYS 5 16.299 -3.053 -3.729 27 1HB LYS 5 1HB LYS 5 19.033 -2.669 -4.956 28 2HB LYS 5 2HB LYS 5 18.601 -2.500 -3.259 29 1HG LYS 5 1HG LYS 5 18.114 -4.885 -3.136 30 2HG LYS 5 2HG LYS 5 18.526 -5.061 -4.844 31 1HD LYS 5 1HD LYS 5 20.504 -3.861 -2.949 32 2HD LYS 5 2HD LYS 5 20.299 -5.613 -3.012 33 1HE LYS 5 1HE LYS 5 20.808 -3.938 -5.459 34 2HE LYS 5 2HE LYS 5 22.108 -4.634 -4.492 35 1HZ LYS 5 1HZ LYS 5 20.642 -6.789 -4.871 36 2HZ LYS 5 2HZ LYS 5 21.835 -6.306 -5.967 37 3HZ LYS 5 3HZ LYS 5 20.211 -5.947 -6.274 38 HA PRO 6 HA PRO 6 15.578 0.784 -6.267 39 1HB PRO 6 1HB PRO 6 13.119 1.296 -5.237 40 2HB PRO 6 2HB PRO 6 13.375 0.243 -6.633 41 1HG PRO 6 1HG PRO 6 12.942 -0.488 -3.762 42 2HG PRO 6 2HG PRO 6 12.249 -1.222 -5.221 43 1HD PRO 6 1HD PRO 6 14.338 -2.317 -3.890 44 2HD PRO 6 2HD PRO 6 14.144 -2.462 -5.649 45 H LYS 7 H LYS 7 16.617 2.477 -5.441 46 HA LYS 7 HA LYS 7 16.087 3.225 -2.641 47 1HB LYS 7 1HB LYS 7 18.427 4.120 -2.593 48 2HB LYS 7 2HB LYS 7 18.322 2.369 -2.726 49 1HG LYS 7 1HG LYS 7 18.696 2.575 -5.163 50 2HG LYS 7 2HG LYS 7 18.920 4.313 -4.946 51 1HD LYS 7 1HD LYS 7 20.547 2.323 -3.397 52 2HD LYS 7 2HD LYS 7 21.010 2.817 -5.028 53 1HE LYS 7 1HE LYS 7 20.602 4.651 -2.667 54 2HE LYS 7 2HE LYS 7 22.157 4.148 -3.327 55 1HZ LYS 7 1HZ LYS 7 22.022 5.937 -4.612 56 2HZ LYS 7 2HZ LYS 7 20.403 6.216 -4.211 57 3HZ LYS 7 3HZ LYS 7 20.791 5.156 -5.471 58 H GLU 8 H GLU 8 16.784 4.309 -5.912 59 HA GLU 8 HA GLU 8 16.573 7.100 -5.262 60 1HB GLU 8 1HB GLU 8 16.869 7.508 -7.596 61 2HB GLU 8 2HB GLU 8 17.944 6.188 -7.157 62 1HG GLU 8 1HG GLU 8 16.351 4.581 -8.072 63 2HG GLU 8 2HG GLU 8 15.271 5.903 -8.512 64 H GLY 9 H GLY 9 14.968 8.512 -6.398 65 1HA GLY 9 2HA GLY 9 12.665 8.054 -7.595 66 2HA GLY 9 3HA GLY 9 12.303 7.366 -6.019 67 H VAL 10 H VAL 10 12.821 10.278 -7.833 68 HA VAL 10 HA VAL 10 11.507 11.805 -5.736 69 HB VAL 10 HB VAL 10 14.212 12.618 -6.809 70 1HG1 VAL 10 1HG1 VAL 10 12.916 14.587 -6.572 71 2HG1 VAL 10 2HG1 VAL 10 12.241 14.042 -5.035 72 3HG1 VAL 10 3HG1 VAL 10 13.944 14.492 -5.142 73 1HG2 VAL 10 1HG2 VAL 10 13.297 11.641 -4.115 74 2HG2 VAL 10 2HG2 VAL 10 14.557 10.969 -5.150 75 3HG2 VAL 10 3HG2 VAL 10 14.809 12.520 -4.348 76 H LYS 11 H LYS 11 10.293 13.465 -6.509 77 HA LYS 11 HA LYS 11 10.722 14.640 -9.083 78 1HB LYS 11 1HB LYS 11 9.450 12.278 -9.280 79 2HB LYS 11 2HB LYS 11 8.067 13.319 -8.968 80 1HG LYS 11 1HG LYS 11 8.303 13.123 -11.320 81 2HG LYS 11 2HG LYS 11 8.818 14.751 -10.873 82 1HD LYS 11 1HD LYS 11 11.182 13.542 -10.733 83 2HD LYS 11 2HD LYS 11 10.409 12.461 -11.895 84 1HE LYS 11 1HE LYS 11 9.860 14.406 -13.301 85 2HE LYS 11 2HE LYS 11 10.691 15.454 -12.152 86 1HZ LYS 11 1HZ LYS 11 12.696 13.985 -12.581 87 2HZ LYS 11 2HZ LYS 11 12.242 15.037 -13.825 88 3HZ LYS 11 3HZ LYS 11 11.855 13.394 -13.924 89 H THR 12 H THR 12 9.017 16.248 -9.610 90 HA THR 12 HA THR 12 7.463 17.108 -7.273 91 HB THR 12 HB THR 12 8.150 19.426 -7.552 92 HG1 THR 12 1HG THR 12 9.382 20.065 -9.191 93 1HG2 THR 12 1HG2 THR 12 9.455 18.012 -6.028 94 2HG2 THR 12 2HG2 THR 12 10.461 19.253 -6.775 95 3HG2 THR 12 3HG2 THR 12 10.540 17.589 -7.352 96 H GLU 13 H GLU 13 5.496 17.949 -7.739 97 HA GLU 13 HA GLU 13 4.888 18.744 -10.483 98 1HB GLU 13 1HB GLU 13 3.191 16.733 -8.998 99 2HB GLU 13 2HB GLU 13 2.936 17.329 -10.632 100 1HG GLU 13 1HG GLU 13 3.907 15.329 -11.093 101 2HG GLU 13 2HG GLU 13 5.344 16.346 -11.012 102 H ASN 14 H ASN 14 2.211 19.121 -10.316 103 HA ASN 14 HA ASN 14 2.047 21.308 -8.392 104 1HB ASN 14 1HB ASN 14 1.444 21.434 -10.926 105 2HB ASN 14 2HB ASN 14 -0.069 20.683 -10.429 106 1HD2 ASN 14 1HD2 ASN 14 2.054 23.424 -9.769 107 2HD2 ASN 14 2HD2 ASN 14 0.796 24.516 -9.310 108 H ASN 15 H ASN 15 1.331 18.123 -8.363 109 HA ASN 15 HA ASN 15 -1.177 18.418 -6.874 110 1HB ASN 15 1HB ASN 15 0.200 15.927 -7.904 111 2HB ASN 15 2HB ASN 15 -1.355 15.964 -7.078 112 1HD2 ASN 15 1HD2 ASN 15 -2.872 15.543 -8.506 113 2HD2 ASN 15 2HD2 ASN 15 -3.012 16.246 -10.078 114 H ASP 16 H ASP 16 -1.180 16.357 -5.174 115 HA ASP 16 HA ASP 16 0.770 17.186 -3.188 116 1HB ASP 16 1HB ASP 16 -1.812 15.713 -3.163 117 2HB ASP 16 2HB ASP 16 -0.660 15.329 -1.886 118 H HIS 17 H HIS 17 2.028 15.658 -1.961 119 HA HIS 17 HA HIS 17 2.468 13.048 -3.194 120 1HB HIS 17 1HB HIS 17 4.865 14.746 -2.585 121 2HB HIS 17 2HB HIS 17 4.738 13.343 -3.642 122 HD1 HIS 17 1HD HIS 17 4.841 16.952 -3.714 123 HD2 HIS 17 2HD HIS 17 3.201 13.967 -6.094 124 HE1 HIS 17 1HE HIS 17 4.372 18.041 -5.932 125 H ILE 18 H ILE 18 1.736 12.015 -1.370 126 HA ILE 18 HA ILE 18 3.023 12.633 1.186 127 HB ILE 18 HB ILE 18 1.318 11.353 2.253 128 1HG1 ILE 18 1HG1 ILE 18 0.475 10.490 -0.522 129 2HG1 ILE 18 2HG1 ILE 18 1.225 9.470 0.700 130 1HG2 ILE 18 1HG2 ILE 18 -0.690 12.529 1.581 131 2HG2 ILE 18 2HG2 ILE 18 0.698 13.614 1.507 132 3HG2 ILE 18 3HG2 ILE 18 0.035 12.927 0.024 133 1HD1 ILE 18 1HD1 ILE 18 -1.137 9.036 0.601 134 2HD1 ILE 18 2HD1 ILE 18 -0.743 9.805 2.139 135 3HD1 ILE 18 3HD1 ILE 18 -1.495 10.745 0.850 136 H ASN 19 H ASN 19 2.940 10.280 2.506 137 HA ASN 19 HA ASN 19 4.488 8.378 0.890 138 1HB ASN 19 1HB ASN 19 5.779 10.058 2.541 139 2HB ASN 19 2HB ASN 19 5.370 8.794 3.697 140 1HD2 ASN 19 1HD2 ASN 19 5.991 6.584 3.106 141 2HD2 ASN 19 2HD2 ASN 19 7.461 6.351 2.228 142 H LEU 20 H LEU 20 4.153 6.251 1.353 143 HA LEU 20 HA LEU 20 2.527 5.578 3.700 144 1HB LEU 20 1HB LEU 20 1.826 5.229 0.853 145 2HB LEU 20 2HB LEU 20 1.499 3.855 1.908 146 HG LEU 20 HG LEU 20 -0.492 5.186 1.681 147 1HD1 LEU 20 1HD1 LEU 20 0.659 5.767 4.399 148 2HD1 LEU 20 2HD1 LEU 20 0.116 4.166 3.899 149 3HD1 LEU 20 3HD1 LEU 20 -1.031 5.504 3.966 150 1HD2 LEU 20 1HD2 LEU 20 -0.548 7.418 1.639 151 2HD2 LEU 20 2HD2 LEU 20 1.207 7.333 1.480 152 3HD2 LEU 20 3HD2 LEU 20 0.474 7.561 3.069 153 H LYS 21 H LYS 21 2.635 3.336 4.318 154 HA LYS 21 HA LYS 21 4.818 1.799 3.108 155 1HB LYS 21 1HB LYS 21 4.621 2.721 5.950 156 2HB LYS 21 2HB LYS 21 5.388 1.179 5.596 157 1HG LYS 21 1HG LYS 21 7.128 2.169 4.424 158 2HG LYS 21 2HG LYS 21 6.229 3.665 4.160 159 1HD LYS 21 1HD LYS 21 7.867 4.141 5.808 160 2HD LYS 21 2HD LYS 21 6.324 4.022 6.656 161 1HE LYS 21 1HE LYS 21 7.561 2.713 8.037 162 2HE LYS 21 2HE LYS 21 7.101 1.481 6.863 163 1HZ LYS 21 1HZ LYS 21 9.193 1.280 6.138 164 2HZ LYS 21 2HZ LYS 21 9.625 2.014 7.599 165 3HZ LYS 21 3HZ LYS 21 9.500 2.943 6.192 166 H VAL 22 H VAL 22 3.867 -0.012 2.450 167 HA VAL 22 HA VAL 22 1.624 -1.124 3.941 168 HB VAL 22 HB VAL 22 2.842 -2.106 1.357 169 1HG1 VAL 22 1HG1 VAL 22 0.741 -3.305 1.080 170 2HG1 VAL 22 2HG1 VAL 22 1.543 -3.790 2.575 171 3HG1 VAL 22 3HG1 VAL 22 0.169 -2.686 2.628 172 1HG2 VAL 22 1HG2 VAL 22 0.449 -0.319 1.785 173 2HG2 VAL 22 2HG2 VAL 22 2.008 0.186 1.133 174 3HG2 VAL 22 3HG2 VAL 22 1.005 -0.955 0.237 175 H ALA 23 H ALA 23 2.176 -2.331 5.644 176 HA ALA 23 HA ALA 23 4.262 -4.379 5.262 177 1HB ALA 23 1HB ALA 23 3.713 -2.655 7.660 178 2HB ALA 23 2HB ALA 23 4.622 -4.162 7.771 179 3HB ALA 23 3HB ALA 23 5.219 -2.845 6.762 180 H GLY 24 H GLY 24 3.887 -6.414 6.140 181 1HA GLY 24 2HA GLY 24 1.066 -6.978 6.682 182 2HA GLY 24 3HA GLY 24 2.294 -8.159 6.254 183 H GLN 25 H GLN 25 0.303 -7.933 8.518 184 HA GLN 25 HA GLN 25 1.614 -7.448 10.937 185 1HB GLN 25 1HB GLN 25 -0.877 -7.821 10.526 186 2HB GLN 25 2HB GLN 25 -0.520 -9.542 10.564 187 1HG GLN 25 1HG GLN 25 -0.043 -9.536 12.808 188 2HG GLN 25 2HG GLN 25 0.377 -7.824 12.824 189 1HE2 GLN 25 1HE2 GLN 25 -1.101 -6.414 13.483 190 2HE2 GLN 25 2HE2 GLN 25 -2.768 -6.768 13.763 191 H ASP 26 H ASP 26 1.925 -10.038 8.716 192 HA ASP 26 HA ASP 26 2.953 -11.948 10.611 193 1HB ASP 26 1HB ASP 26 3.728 -12.982 8.264 194 2HB ASP 26 2HB ASP 26 2.079 -13.129 8.865 195 H GLY 27 H GLY 27 4.521 -10.693 7.669 196 1HA GLY 27 2HA GLY 27 6.794 -9.697 9.109 197 2HA GLY 27 3HA GLY 27 7.121 -11.238 8.330 198 H SER 28 H SER 28 5.290 -8.347 7.338 199 HA SER 28 HA SER 28 7.043 -8.172 4.977 200 1HB SER 28 1HB SER 28 5.093 -8.976 3.999 201 2HB SER 28 2HB SER 28 4.050 -8.133 5.144 202 HG SER 28 HG SER 28 3.868 -6.839 3.463 203 H VAL 29 H VAL 29 7.198 -6.042 4.018 204 HA VAL 29 HA VAL 29 6.127 -3.724 5.218 205 HB VAL 29 HB VAL 29 7.553 -4.178 7.093 206 1HG1 VAL 29 1HG1 VAL 29 9.449 -5.311 6.883 207 2HG1 VAL 29 2HG1 VAL 29 9.299 -5.239 5.127 208 3HG1 VAL 29 3HG1 VAL 29 10.164 -3.969 5.991 209 1HG2 VAL 29 1HG2 VAL 29 8.349 -2.077 7.301 210 2HG2 VAL 29 2HG2 VAL 29 9.264 -2.159 5.796 211 3HG2 VAL 29 3HG2 VAL 29 7.531 -1.833 5.757 212 H VAL 30 H VAL 30 5.970 -2.498 3.467 213 HA VAL 30 HA VAL 30 8.350 -2.130 1.785 214 HB VAL 30 HB VAL 30 5.564 -2.440 0.665 215 1HG1 VAL 30 1HG1 VAL 30 7.125 -2.774 -1.440 216 2HG1 VAL 30 2HG1 VAL 30 6.633 -1.167 -0.903 217 3HG1 VAL 30 3HG1 VAL 30 8.229 -1.789 -0.480 218 1HG2 VAL 30 1HG2 VAL 30 7.782 -4.404 1.041 219 2HG2 VAL 30 2HG2 VAL 30 6.047 -4.612 1.276 220 3HG2 VAL 30 3HG2 VAL 30 6.714 -4.548 -0.355 221 H GLN 31 H GLN 31 8.516 -0.109 0.763 222 HA GLN 31 HA GLN 31 6.694 1.941 1.836 223 1HB GLN 31 1HB GLN 31 8.651 3.508 1.528 224 2HB GLN 31 2HB GLN 31 8.840 2.297 2.789 225 1HG GLN 31 1HG GLN 31 10.286 0.989 1.426 226 2HG GLN 31 2HG GLN 31 9.948 1.987 0.013 227 1HE2 GLN 31 1HE2 GLN 31 11.508 1.904 3.147 228 2HE2 GLN 31 2HE2 GLN 31 12.607 3.202 2.848 229 H PHE 32 H PHE 32 5.844 3.455 0.474 230 HA PHE 32 HA PHE 32 6.738 3.594 -2.286 231 1HB PHE 32 1HB PHE 32 4.481 2.018 -1.522 232 2HB PHE 32 2HB PHE 32 3.904 3.411 -2.430 233 HD1 PHE 32 1HD PHE 32 4.071 3.472 -4.754 234 HD2 PHE 32 2HD PHE 32 6.297 0.583 -2.559 235 HE1 PHE 32 1HE PHE 32 4.696 2.360 -6.858 236 HE2 PHE 32 2HE PHE 32 6.926 -0.533 -4.660 237 HZ PHE 32 HZ PHE 32 6.127 0.356 -6.813 238 H LYS 33 H LYS 33 5.434 5.281 -3.507 239 HA LYS 33 HA LYS 33 4.653 7.451 -1.671 240 1HB LYS 33 1HB LYS 33 6.188 7.604 -4.268 241 2HB LYS 33 2HB LYS 33 5.506 9.010 -3.461 242 1HG LYS 33 1HG LYS 33 7.056 8.985 -1.798 243 2HG LYS 33 2HG LYS 33 7.269 7.234 -1.870 244 1HD LYS 33 1HD LYS 33 9.273 8.074 -2.724 245 2HD LYS 33 2HD LYS 33 8.342 7.667 -4.167 246 1HE LYS 33 1HE LYS 33 8.063 10.413 -3.077 247 2HE LYS 33 2HE LYS 33 9.580 10.004 -3.876 248 1HZ LYS 33 1HZ LYS 33 8.590 10.268 -5.821 249 2HZ LYS 33 2HZ LYS 33 7.141 10.680 -5.054 250 3HZ LYS 33 3HZ LYS 33 7.459 9.066 -5.450 251 H ILE 34 H ILE 34 2.940 8.781 -2.284 252 HA ILE 34 HA ILE 34 1.559 8.318 -4.781 253 HB ILE 34 HB ILE 34 0.797 6.558 -3.005 254 1HG1 ILE 34 1HG1 ILE 34 -1.673 7.684 -3.968 255 2HG1 ILE 34 2HG1 ILE 34 -0.429 7.827 -5.205 256 1HG2 ILE 34 1HG2 ILE 34 -0.633 7.197 -1.343 257 2HG2 ILE 34 2HG2 ILE 34 0.409 8.617 -1.404 258 3HG2 ILE 34 3HG2 ILE 34 -1.163 8.643 -2.202 259 1HD1 ILE 34 1HD1 ILE 34 -1.989 5.611 -4.665 260 2HD1 ILE 34 2HD1 ILE 34 -0.545 5.666 -5.677 261 3HD1 ILE 34 3HD1 ILE 34 -0.414 5.213 -3.978 262 H LYS 35 H LYS 35 -0.354 9.748 -5.008 263 HA LYS 35 HA LYS 35 0.224 12.332 -3.799 264 1HB LYS 35 1HB LYS 35 -1.863 11.713 -5.888 265 2HB LYS 35 2HB LYS 35 -1.158 13.278 -5.505 266 1HG LYS 35 1HG LYS 35 0.163 12.893 -7.260 267 2HG LYS 35 2HG LYS 35 1.048 11.822 -6.172 268 1HD LYS 35 1HD LYS 35 0.179 9.926 -7.112 269 2HD LYS 35 2HD LYS 35 -1.319 10.723 -7.597 270 1HE LYS 35 1HE LYS 35 -0.175 11.853 -9.402 271 2HE LYS 35 2HE LYS 35 1.372 11.190 -8.877 272 1HZ LYS 35 1HZ LYS 35 -0.863 9.842 -10.224 273 2HZ LYS 35 2HZ LYS 35 0.149 8.939 -9.214 274 3HZ LYS 35 3HZ LYS 35 0.795 9.755 -10.548 275 H ARG 36 H ARG 36 -2.093 13.643 -3.702 276 HA ARG 36 HA ARG 36 -3.295 12.682 -1.322 277 1HB ARG 36 1HB ARG 36 -3.176 15.051 -1.702 278 2HB ARG 36 2HB ARG 36 -4.067 14.906 -3.211 279 1HG ARG 36 1HG ARG 36 -6.046 14.169 -1.936 280 2HG ARG 36 2HG ARG 36 -5.142 14.423 -0.442 281 1HD ARG 36 1HD ARG 36 -6.441 16.369 -0.754 282 2HD ARG 36 2HD ARG 36 -4.795 16.806 -1.210 283 HE ARG 36 HE ARG 36 -6.211 15.957 -3.491 284 1HH1 ARG 36 2HH1 ARG 36 -6.050 18.608 -1.239 285 2HH1 ARG 36 1HH1 ARG 36 -6.621 19.781 -2.379 286 1HH2 ARG 36 2HH2 ARG 36 -6.963 17.493 -5.000 287 2HH2 ARG 36 1HH2 ARG 36 -7.141 19.146 -4.517 288 H HIS 37 H HIS 37 -5.036 13.514 -4.310 289 HA HIS 37 HA HIS 37 -6.999 11.449 -3.708 290 1HB HIS 37 1HB HIS 37 -7.912 13.587 -4.318 291 2HB HIS 37 2HB HIS 37 -6.926 13.651 -5.776 292 HD1 HIS 37 1HD HIS 37 -8.952 10.648 -4.716 293 HD2 HIS 37 2HD HIS 37 -8.981 13.637 -7.602 294 HE1 HIS 37 1HE HIS 37 -10.756 9.995 -6.341 295 H THR 38 H THR 38 -5.706 9.607 -4.159 296 HA THR 38 HA THR 38 -5.379 9.102 -7.043 297 HB THR 38 HB THR 38 -3.507 8.220 -4.838 298 HG1 THR 38 1HG THR 38 -3.117 9.929 -7.090 299 1HG2 THR 38 1HG2 THR 38 -3.330 7.657 -7.800 300 2HG2 THR 38 2HG2 THR 38 -3.865 6.490 -6.591 301 3HG2 THR 38 3HG2 THR 38 -2.216 7.111 -6.547 302 HA PRO 39 HA PRO 39 -8.007 5.642 -6.219 303 1HB PRO 39 1HB PRO 39 -7.616 4.334 -8.566 304 2HB PRO 39 2HB PRO 39 -8.615 5.786 -8.430 305 1HG PRO 39 1HG PRO 39 -5.783 5.515 -9.363 306 2HG PRO 39 2HG PRO 39 -7.099 6.486 -10.049 307 1HD PRO 39 1HD PRO 39 -5.169 7.551 -8.477 308 2HD PRO 39 2HD PRO 39 -6.832 8.171 -8.499 309 H LEU 40 H LEU 40 -7.266 4.262 -4.708 310 HA LEU 40 HA LEU 40 -4.773 3.095 -4.529 311 1HB LEU 40 1HB LEU 40 -7.395 1.924 -3.611 312 2HB LEU 40 2HB LEU 40 -5.798 1.447 -3.040 313 HG LEU 40 HG LEU 40 -5.804 4.121 -2.494 314 1HD1 LEU 40 1HD1 LEU 40 -8.333 3.638 -1.253 315 2HD1 LEU 40 2HD1 LEU 40 -8.494 3.479 -3.002 316 3HD1 LEU 40 3HD1 LEU 40 -7.844 4.964 -2.308 317 1HD2 LEU 40 1HD2 LEU 40 -6.617 3.195 -0.150 318 2HD2 LEU 40 2HD2 LEU 40 -5.025 2.808 -0.803 319 3HD2 LEU 40 3HD2 LEU 40 -6.343 1.645 -0.947 320 H SER 41 H SER 41 -7.388 2.285 -6.616 321 HA SER 41 HA SER 41 -7.084 -0.374 -7.159 322 1HB SER 41 1HB SER 41 -7.325 1.502 -9.480 323 2HB SER 41 2HB SER 41 -8.198 0.005 -9.156 324 HG SER 41 HG SER 41 -9.648 1.093 -8.086 325 H LYS 42 H LYS 42 -5.357 2.217 -8.902 326 HA LYS 42 HA LYS 42 -3.670 0.650 -10.415 327 1HB LYS 42 1HB LYS 42 -2.118 2.607 -10.406 328 2HB LYS 42 2HB LYS 42 -3.785 3.020 -10.788 329 1HG LYS 42 1HG LYS 42 -3.941 4.396 -9.051 330 2HG LYS 42 2HG LYS 42 -3.242 3.209 -7.947 331 1HD LYS 42 1HD LYS 42 -1.840 5.183 -8.032 332 2HD LYS 42 2HD LYS 42 -0.994 3.816 -8.761 333 1HE LYS 42 1HE LYS 42 -1.264 4.646 -10.921 334 2HE LYS 42 2HE LYS 42 -2.587 5.712 -10.448 335 1HZ LYS 42 1HZ LYS 42 0.290 6.118 -10.242 336 2HZ LYS 42 2HZ LYS 42 -0.646 6.718 -8.968 337 3HZ LYS 42 3HZ LYS 42 -0.942 7.235 -10.551 338 H LEU 43 H LEU 43 -3.442 1.481 -7.027 339 HA LEU 43 HA LEU 43 -0.751 0.594 -6.680 340 1HB LEU 43 1HB LEU 43 -2.054 2.201 -5.206 341 2HB LEU 43 2HB LEU 43 -2.852 0.779 -4.538 342 HG LEU 43 HG LEU 43 -0.730 -0.046 -3.693 343 1HD1 LEU 43 1HD1 LEU 43 0.333 1.961 -5.499 344 2HD1 LEU 43 2HD1 LEU 43 1.114 0.550 -4.787 345 3HD1 LEU 43 3HD1 LEU 43 1.037 2.064 -3.885 346 1HD2 LEU 43 1HD2 LEU 43 -0.362 1.592 -1.970 347 2HD2 LEU 43 2HD2 LEU 43 -2.086 1.525 -2.338 348 3HD2 LEU 43 3HD2 LEU 43 -1.103 2.854 -2.955 349 H MET 44 H MET 44 -3.811 -0.782 -5.456 350 HA MET 44 HA MET 44 -2.818 -3.219 -4.618 351 1HB MET 44 1HB MET 44 -5.136 -4.074 -4.910 352 2HB MET 44 2HB MET 44 -5.059 -2.540 -4.054 353 1HG MET 44 1HG MET 44 -5.639 -1.378 -6.149 354 2HG MET 44 2HG MET 44 -5.799 -2.944 -6.942 355 1HE MET 44 1HE MET 44 -7.578 -4.350 -6.971 356 2HE MET 44 2HE MET 44 -7.700 -4.896 -5.298 357 3HE MET 44 3HE MET 44 -9.116 -4.233 -6.115 358 H LYS 45 H LYS 45 -3.972 -2.286 -7.830 359 HA LYS 45 HA LYS 45 -3.969 -4.730 -9.104 360 1HB LYS 45 1HB LYS 45 -4.742 -2.671 -10.171 361 2HB LYS 45 2HB LYS 45 -3.095 -2.058 -10.218 362 1HG LYS 45 1HG LYS 45 -2.485 -3.953 -11.695 363 2HG LYS 45 2HG LYS 45 -4.185 -4.428 -11.721 364 1HD LYS 45 1HD LYS 45 -4.800 -2.660 -13.031 365 2HD LYS 45 2HD LYS 45 -3.522 -1.614 -12.408 366 1HE LYS 45 1HE LYS 45 -1.895 -3.118 -13.649 367 2HE LYS 45 2HE LYS 45 -3.303 -3.812 -14.451 368 1HZ LYS 45 1HZ LYS 45 -3.050 -2.173 -15.914 369 2HZ LYS 45 2HZ LYS 45 -1.990 -1.308 -14.919 370 3HZ LYS 45 3HZ LYS 45 -3.662 -1.133 -14.728 371 H ALA 46 H ALA 46 -1.234 -2.454 -8.876 372 HA ALA 46 HA ALA 46 0.655 -4.072 -10.158 373 1HB ALA 46 1HB ALA 46 1.367 -2.165 -7.953 374 2HB ALA 46 2HB ALA 46 2.281 -2.567 -9.408 375 3HB ALA 46 3HB ALA 46 0.812 -1.597 -9.529 376 H TYR 47 H TYR 47 0.059 -3.637 -6.670 377 HA TYR 47 HA TYR 47 1.958 -5.352 -5.662 378 1HB TYR 47 1HB TYR 47 0.275 -3.854 -4.416 379 2HB TYR 47 2HB TYR 47 -0.820 -5.228 -4.505 380 HD1 TYR 47 1HD TYR 47 -0.992 -6.161 -2.397 381 HD2 TYR 47 2HD TYR 47 2.847 -5.001 -3.819 382 HE1 TYR 47 1HE TYR 47 0.037 -7.116 -0.378 383 HE2 TYR 47 2HE TYR 47 3.887 -5.954 -1.804 384 HH TYR 47 HH TYR 47 3.554 -7.187 0.033 385 H CYS 48 H CYS 48 -1.379 -6.176 -6.591 386 HA CYS 48 HA CYS 48 -1.380 -8.860 -5.981 387 1HB CYS 48 1HB CYS 48 -2.717 -7.371 -8.239 388 2HB CYS 48 2HB CYS 48 -3.017 -9.075 -7.920 389 HG CYS 48 HG CYS 48 -3.422 -6.951 -5.326 390 H GLU 49 H GLU 49 -0.279 -7.322 -8.987 391 HA GLU 49 HA GLU 49 0.324 -9.552 -10.483 392 1HB GLU 49 1HB GLU 49 0.533 -7.036 -11.062 393 2HB GLU 49 2HB GLU 49 2.170 -7.182 -10.437 394 1HG GLU 49 1HG GLU 49 2.325 -9.191 -12.084 395 2HG GLU 49 2HG GLU 49 0.956 -8.406 -12.868 396 H ARG 50 H ARG 50 2.260 -8.020 -7.956 397 HA ARG 50 HA ARG 50 4.563 -9.626 -8.302 398 1HB ARG 50 1HB ARG 50 4.830 -7.590 -7.116 399 2HB ARG 50 2HB ARG 50 3.532 -7.984 -5.997 400 1HG ARG 50 1HG ARG 50 5.781 -8.169 -5.000 401 2HG ARG 50 2HG ARG 50 4.871 -9.681 -4.953 402 1HD ARG 50 1HD ARG 50 6.325 -10.737 -6.300 403 2HD ARG 50 2HD ARG 50 6.512 -9.337 -7.354 404 HE ARG 50 HE ARG 50 7.822 -8.783 -4.955 405 1HH1 ARG 50 2HH1 ARG 50 8.085 -10.973 -7.649 406 2HH1 ARG 50 1HH1 ARG 50 9.805 -11.136 -7.516 407 1HH2 ARG 50 2HH2 ARG 50 10.086 -8.989 -4.771 408 2HH2 ARG 50 1HH2 ARG 50 10.942 -10.007 -5.879 409 H GLN 51 H GLN 51 2.463 -9.679 -5.432 410 HA GLN 51 HA GLN 51 2.612 -12.620 -5.482 411 1HB GLN 51 1HB GLN 51 3.266 -10.706 -3.321 412 2HB GLN 51 2HB GLN 51 2.354 -12.130 -2.840 413 1HG GLN 51 1HG GLN 51 4.075 -13.548 -3.253 414 2HG GLN 51 2HG GLN 51 4.728 -12.555 -4.555 415 1HE2 GLN 51 1HE2 GLN 51 6.561 -13.498 -2.980 416 2HE2 GLN 51 2HE2 GLN 51 7.150 -12.325 -1.858 417 H GLY 52 H GLY 52 0.530 -12.274 -6.654 418 1HA GLY 52 2HA GLY 52 -1.703 -11.393 -5.003 419 2HA GLY 52 3HA GLY 52 -1.778 -11.863 -6.695 420 H LEU 53 H LEU 53 -1.278 -13.201 -3.443 421 HA LEU 53 HA LEU 53 -2.420 -15.740 -4.391 422 1HB LEU 53 1HB LEU 53 -1.498 -16.447 -2.023 423 2HB LEU 53 2HB LEU 53 -0.460 -16.388 -3.445 424 HG LEU 53 HG LEU 53 0.386 -14.200 -2.728 425 1HD1 LEU 53 1HD1 LEU 53 -1.691 -14.557 -0.636 426 2HD1 LEU 53 2HD1 LEU 53 -1.184 -13.103 -1.494 427 3HD1 LEU 53 3HD1 LEU 53 -0.188 -13.749 -0.190 428 1HD2 LEU 53 1HD2 LEU 53 0.840 -15.647 -0.252 429 2HD2 LEU 53 2HD2 LEU 53 1.971 -15.217 -1.535 430 3HD2 LEU 53 3HD2 LEU 53 0.993 -16.679 -1.674 431 H SER 54 H SER 54 -3.273 -12.967 -2.806 432 HA SER 54 HA SER 54 -5.722 -14.125 -1.845 433 1HB SER 54 1HB SER 54 -5.320 -13.042 0.488 434 2HB SER 54 2HB SER 54 -4.615 -14.624 0.152 435 HG SER 54 HG SER 54 -3.082 -12.391 -0.485 436 H MET 55 H MET 55 -6.402 -12.628 -3.507 437 HA MET 55 HA MET 55 -6.080 -9.793 -2.973 438 1HB MET 55 1HB MET 55 -7.787 -11.039 -5.122 439 2HB MET 55 2HB MET 55 -7.103 -9.420 -5.087 440 1HG MET 55 1HG MET 55 -4.846 -10.414 -5.251 441 2HG MET 55 2HG MET 55 -5.594 -12.002 -5.405 442 1HE MET 55 1HE MET 55 -7.369 -11.920 -8.773 443 2HE MET 55 2HE MET 55 -6.261 -12.984 -7.908 444 3HE MET 55 3HE MET 55 -7.638 -12.273 -7.066 445 H ARG 56 H ARG 56 -8.584 -12.260 -2.834 446 HA ARG 56 HA ARG 56 -10.532 -10.283 -1.906 447 1HB ARG 56 1HB ARG 56 -10.896 -13.213 -2.558 448 2HB ARG 56 2HB ARG 56 -12.181 -12.088 -2.138 449 1HG ARG 56 1HG ARG 56 -10.392 -11.781 -4.538 450 2HG ARG 56 2HG ARG 56 -11.976 -12.559 -4.569 451 1HD ARG 56 1HD ARG 56 -11.627 -9.779 -3.502 452 2HD ARG 56 2HD ARG 56 -11.808 -10.075 -5.231 453 HE ARG 56 HE ARG 56 -13.845 -11.304 -3.611 454 1HH1 ARG 56 2HH1 ARG 56 -12.869 -8.427 -5.311 455 2HH1 ARG 56 1HH1 ARG 56 -14.486 -7.836 -5.505 456 1HH2 ARG 56 2HH2 ARG 56 -15.978 -10.536 -3.861 457 2HH2 ARG 56 1HH2 ARG 56 -16.254 -9.036 -4.679 458 H GLN 57 H GLN 57 -8.139 -11.796 -0.484 459 HA GLN 57 HA GLN 57 -9.681 -12.535 1.915 460 1HB GLN 57 1HB GLN 57 -7.228 -13.666 0.676 461 2HB GLN 57 2HB GLN 57 -7.304 -13.645 2.433 462 1HG GLN 57 1HG GLN 57 -9.403 -14.890 2.359 463 2HG GLN 57 2HG GLN 57 -9.324 -14.914 0.598 464 1HE2 GLN 57 1HE2 GLN 57 -9.514 -17.235 2.045 465 2HE2 GLN 57 2HE2 GLN 57 -8.036 -18.120 1.915 466 H ILE 58 H ILE 58 -6.669 -11.009 0.814 467 HA ILE 58 HA ILE 58 -6.059 -9.926 3.395 468 HB ILE 58 HB ILE 58 -4.922 -9.418 0.652 469 1HG1 ILE 58 1HG1 ILE 58 -3.780 -10.712 3.138 470 2HG1 ILE 58 2HG1 ILE 58 -4.374 -11.568 1.720 471 1HG2 ILE 58 1HG2 ILE 58 -4.714 -7.333 1.782 472 2HG2 ILE 58 2HG2 ILE 58 -4.189 -8.122 3.268 473 3HG2 ILE 58 3HG2 ILE 58 -3.140 -8.126 1.851 474 1HD1 ILE 58 1HD1 ILE 58 -2.076 -11.562 1.441 475 2HD1 ILE 58 2HD1 ILE 58 -2.610 -10.217 0.432 476 3HD1 ILE 58 3HD1 ILE 58 -1.910 -9.905 2.020 477 H ARG 59 H ARG 59 -6.405 -7.901 4.184 478 HA ARG 59 HA ARG 59 -7.676 -5.905 2.469 479 1HB ARG 59 1HB ARG 59 -9.003 -7.389 4.608 480 2HB ARG 59 2HB ARG 59 -9.103 -5.646 4.821 481 1HG ARG 59 1HG ARG 59 -10.247 -5.350 2.800 482 2HG ARG 59 2HG ARG 59 -9.815 -6.961 2.223 483 1HD ARG 59 1HD ARG 59 -11.718 -7.747 3.051 484 2HD ARG 59 2HD ARG 59 -11.186 -7.292 4.669 485 HE ARG 59 HE ARG 59 -13.109 -5.923 3.023 486 1HH1 ARG 59 2HH1 ARG 59 -10.865 -5.631 5.668 487 2HH1 ARG 59 1HH1 ARG 59 -11.671 -4.269 6.373 488 1HH2 ARG 59 2HH2 ARG 59 -14.179 -4.130 3.940 489 2HH2 ARG 59 1HH2 ARG 59 -13.556 -3.416 5.389 490 H PHE 60 H PHE 60 -6.937 -3.909 2.848 491 HA PHE 60 HA PHE 60 -4.817 -3.469 4.660 492 1HB PHE 60 1HB PHE 60 -6.498 -1.637 2.963 493 2HB PHE 60 2HB PHE 60 -5.262 -1.005 4.045 494 HD1 PHE 60 1HD PHE 60 -2.957 -1.162 3.512 495 HD2 PHE 60 2HD PHE 60 -5.862 -3.097 1.076 496 HE1 PHE 60 1HE PHE 60 -1.245 -1.556 1.788 497 HE2 PHE 60 2HE PHE 60 -4.155 -3.495 -0.650 498 HZ PHE 60 HZ PHE 60 -1.843 -2.725 -0.295 499 H ARG 61 H ARG 61 -4.817 -2.928 6.740 500 HA ARG 61 HA ARG 61 -7.202 -1.655 7.884 501 1HB ARG 61 1HB ARG 61 -7.258 -4.102 8.344 502 2HB ARG 61 2HB ARG 61 -5.716 -3.948 9.176 503 1HG ARG 61 1HG ARG 61 -6.638 -2.919 10.990 504 2HG ARG 61 2HG ARG 61 -7.960 -2.215 10.057 505 1HD ARG 61 1HD ARG 61 -8.837 -4.581 9.793 506 2HD ARG 61 2HD ARG 61 -7.664 -5.047 11.024 507 HE ARG 61 HE ARG 61 -9.026 -2.979 12.154 508 1HH1 ARG 61 2HH1 ARG 61 -9.943 -6.016 10.721 509 2HH1 ARG 61 1HH1 ARG 61 -11.349 -6.209 11.714 510 1HH2 ARG 61 2HH2 ARG 61 -10.875 -3.221 13.466 511 2HH2 ARG 61 1HH2 ARG 61 -11.880 -4.618 13.274 512 H PHE 62 H PHE 62 -6.819 -0.195 9.514 513 HA PHE 62 HA PHE 62 -3.985 0.412 10.031 514 1HB PHE 62 1HB PHE 62 -5.382 2.133 8.803 515 2HB PHE 62 2HB PHE 62 -6.304 2.329 10.290 516 HD1 PHE 62 1HD PHE 62 -2.723 2.238 9.235 517 HD2 PHE 62 2HD PHE 62 -5.720 4.097 11.617 518 HE1 PHE 62 1HE PHE 62 -1.066 3.870 10.040 519 HE2 PHE 62 2HE PHE 62 -4.069 5.732 12.425 520 HZ PHE 62 HZ PHE 62 -1.739 5.621 11.636 521 H ASP 63 H ASP 63 -3.475 1.329 12.150 522 HA ASP 63 HA ASP 63 -4.687 -0.211 14.245 523 1HB ASP 63 1HB ASP 63 -2.535 1.914 14.312 524 2HB ASP 63 2HB ASP 63 -3.026 0.949 15.702 525 H GLY 64 H GLY 64 -6.791 1.070 13.481 526 1HA GLY 64 2HA GLY 64 -7.561 2.648 15.708 527 2HA GLY 64 3HA GLY 64 -7.280 3.677 14.311 528 H GLN 65 H GLN 65 -8.178 1.677 12.392 529 HA GLN 65 HA GLN 65 -10.772 0.768 12.927 530 1HB GLN 65 1HB GLN 65 -11.905 2.547 11.386 531 2HB GLN 65 2HB GLN 65 -11.671 2.890 13.095 532 1HG GLN 65 1HG GLN 65 -10.026 4.434 12.706 533 2HG GLN 65 2HG GLN 65 -9.566 3.716 11.163 534 1HE2 GLN 65 1HE2 GLN 65 -9.648 6.110 10.681 535 2HE2 GLN 65 2HE2 GLN 65 -11.147 6.727 10.085 536 HA PRO 66 HA PRO 66 -10.164 -1.190 9.050 537 1HB PRO 66 1HB PRO 66 -12.709 -1.506 8.159 538 2HB PRO 66 2HB PRO 66 -12.038 -2.442 9.499 539 1HG PRO 66 1HG PRO 66 -13.797 -0.021 9.573 540 2HG PRO 66 2HG PRO 66 -13.886 -1.499 10.548 541 1HD PRO 66 1HD PRO 66 -12.797 0.799 11.480 542 2HD PRO 66 2HD PRO 66 -12.220 -0.804 11.981 543 H ILE 67 H ILE 67 -10.313 -0.955 6.748 544 HA ILE 67 HA ILE 67 -10.933 1.802 5.915 545 HB ILE 67 HB ILE 67 -9.072 -0.055 4.451 546 1HG1 ILE 67 1HG1 ILE 67 -8.371 1.943 6.614 547 2HG1 ILE 67 2HG1 ILE 67 -8.219 0.193 6.733 548 1HG2 ILE 67 1HG2 ILE 67 -8.923 1.618 3.002 549 2HG2 ILE 67 2HG2 ILE 67 -10.135 2.504 3.925 550 3HG2 ILE 67 3HG2 ILE 67 -8.423 2.718 4.286 551 1HD1 ILE 67 1HD1 ILE 67 -6.105 0.535 6.124 552 2HD1 ILE 67 2HD1 ILE 67 -6.755 0.748 4.498 553 3HD1 ILE 67 3HD1 ILE 67 -6.444 2.155 5.515 554 H ASN 68 H ASN 68 -12.049 2.162 4.007 555 HA ASN 68 HA ASN 68 -13.695 -0.069 3.123 556 1HB ASN 68 1HB ASN 68 -13.830 2.912 2.705 557 2HB ASN 68 2HB ASN 68 -14.853 1.803 1.797 558 1HD2 ASN 68 1HD2 ASN 68 -16.244 0.372 3.040 559 2HD2 ASN 68 2HD2 ASN 68 -16.879 0.927 4.548 560 H GLU 69 H GLU 69 -14.319 0.372 0.593 561 HA GLU 69 HA GLU 69 -11.825 -0.186 -0.806 562 1HB GLU 69 1HB GLU 69 -13.277 -0.940 -2.645 563 2HB GLU 69 2HB GLU 69 -13.663 -1.745 -1.131 564 1HG GLU 69 1HG GLU 69 -15.547 -0.191 -0.817 565 2HG GLU 69 2HG GLU 69 -15.180 0.533 -2.381 566 H THR 70 H THR 70 -14.429 2.162 -0.759 567 HA THR 70 HA THR 70 -13.223 3.620 -2.994 568 HB THR 70 HB THR 70 -15.663 3.268 -3.058 569 HG1 THR 70 1HG THR 70 -16.164 5.485 -3.466 570 1HG2 THR 70 1HG2 THR 70 -15.523 3.948 -0.336 571 2HG2 THR 70 2HG2 THR 70 -16.968 3.580 -1.278 572 3HG2 THR 70 3HG2 THR 70 -16.420 5.249 -1.117 573 H ASP 71 H ASP 71 -11.953 3.488 -0.362 574 HA ASP 71 HA ASP 71 -12.303 6.170 0.723 575 1HB ASP 71 1HB ASP 71 -11.164 5.448 2.610 576 2HB ASP 71 2HB ASP 71 -11.943 3.961 2.077 577 H THR 72 H THR 72 -10.031 7.134 1.458 578 HA THR 72 HA THR 72 -8.053 6.902 -0.675 579 HB THR 72 HB THR 72 -8.014 9.543 -0.613 580 HG1 THR 72 1HG THR 72 -10.316 10.217 -0.570 581 1HG2 THR 72 1HG2 THR 72 -8.885 9.485 -2.719 582 2HG2 THR 72 2HG2 THR 72 -10.263 8.494 -2.241 583 3HG2 THR 72 3HG2 THR 72 -8.681 7.751 -2.473 584 HA PRO 73 HA PRO 73 -5.142 7.569 2.541 585 1HB PRO 73 1HB PRO 73 -3.159 8.881 1.231 586 2HB PRO 73 2HB PRO 73 -3.497 7.163 0.990 587 1HG PRO 73 1HG PRO 73 -4.314 9.506 -0.684 588 2HG PRO 73 2HG PRO 73 -3.696 7.925 -1.198 589 1HD PRO 73 1HD PRO 73 -6.331 8.550 -1.256 590 2HD PRO 73 2HD PRO 73 -5.746 6.902 -0.946 591 H ALA 74 H ALA 74 -6.669 10.189 0.994 592 HA ALA 74 HA ALA 74 -5.446 12.181 2.752 593 1HB ALA 74 1HB ALA 74 -7.485 12.619 0.576 594 2HB ALA 74 2HB ALA 74 -6.511 13.842 1.393 595 3HB ALA 74 3HB ALA 74 -5.739 12.667 0.328 596 H GLN 75 H GLN 75 -8.314 10.302 2.393 597 HA GLN 75 HA GLN 75 -9.798 11.979 4.274 598 1HB GLN 75 1HB GLN 75 -10.603 9.604 2.595 599 2HB GLN 75 2HB GLN 75 -11.664 10.345 3.786 600 1HG GLN 75 1HG GLN 75 -11.245 12.527 2.503 601 2HG GLN 75 2HG GLN 75 -10.641 11.484 1.216 602 1HE2 GLN 75 1HE2 GLN 75 -12.475 12.586 0.107 603 2HE2 GLN 75 2HE2 GLN 75 -14.029 11.837 0.204 604 H LEU 76 H LEU 76 -7.448 10.005 4.765 605 HA LEU 76 HA LEU 76 -8.697 8.728 7.100 606 1HB LEU 76 1HB LEU 76 -7.154 7.497 4.917 607 2HB LEU 76 2HB LEU 76 -6.680 7.010 6.543 608 HG LEU 76 HG LEU 76 -9.545 6.862 5.675 609 1HD1 LEU 76 1HD1 LEU 76 -7.813 5.650 4.121 610 2HD1 LEU 76 2HD1 LEU 76 -9.295 4.841 4.630 611 3HD1 LEU 76 3HD1 LEU 76 -7.771 4.483 5.443 612 1HD2 LEU 76 1HD2 LEU 76 -9.202 4.808 7.300 613 2HD2 LEU 76 2HD2 LEU 76 -9.492 6.435 7.917 614 3HD2 LEU 76 3HD2 LEU 76 -7.851 5.788 7.869 615 H GLU 77 H GLU 77 -6.603 10.982 6.109 616 HA GLU 77 HA GLU 77 -4.747 12.003 6.959 617 1HB GLU 77 1HB GLU 77 -5.711 10.864 9.584 618 2HB GLU 77 2HB GLU 77 -4.738 12.308 9.345 619 1HG GLU 77 1HG GLU 77 -6.640 13.348 8.161 620 2HG GLU 77 2HG GLU 77 -7.609 11.922 8.531 621 H MET 78 H MET 78 -4.111 9.575 5.854 622 HA MET 78 HA MET 78 -2.168 8.425 7.744 623 1HB MET 78 1HB MET 78 -2.145 6.506 6.034 624 2HB MET 78 2HB MET 78 -3.559 6.667 7.067 625 1HG MET 78 1HG MET 78 -4.794 7.717 5.282 626 2HG MET 78 2HG MET 78 -3.368 7.699 4.248 627 1HE MET 78 1HE MET 78 -4.167 4.149 6.359 628 2HE MET 78 2HE MET 78 -5.198 5.548 6.658 629 3HE MET 78 3HE MET 78 -5.815 4.181 5.729 630 H GLU 79 H GLU 79 -0.791 10.292 7.224 631 HA GLU 79 HA GLU 79 0.795 9.747 4.814 632 1HB GLU 79 1HB GLU 79 0.471 12.582 5.674 633 2HB GLU 79 2HB GLU 79 0.795 11.925 4.075 634 1HG GLU 79 1HG GLU 79 -1.340 12.563 3.736 635 2HG GLU 79 2HG GLU 79 -1.662 10.966 4.409 636 H ASP 80 H ASP 80 2.713 11.692 5.128 637 HA ASP 80 HA ASP 80 4.672 12.129 6.199 638 1HB ASP 80 1HB ASP 80 3.323 11.535 8.821 639 2HB ASP 80 2HB ASP 80 4.600 12.700 8.478 640 H GLU 81 H GLU 81 4.463 9.603 5.195 641 HA GLU 81 HA GLU 81 5.494 7.575 5.255 642 1HB GLU 81 1HB GLU 81 6.850 8.452 7.799 643 2HB GLU 81 2HB GLU 81 7.420 7.285 6.614 644 1HG GLU 81 1HG GLU 81 7.668 9.110 4.978 645 2HG GLU 81 2HG GLU 81 7.180 10.259 6.223 646 H ASP 82 H ASP 82 2.985 7.518 6.154 647 HA ASP 82 HA ASP 82 2.858 6.270 8.767 648 1HB ASP 82 1HB ASP 82 1.059 7.722 7.223 649 2HB ASP 82 2HB ASP 82 0.441 6.074 7.153 650 H THR 83 H THR 83 2.631 4.139 9.188 651 HA THR 83 HA THR 83 2.934 2.310 6.918 652 HB THR 83 HB THR 83 3.210 1.577 9.830 653 HG1 THR 83 1HG THR 83 5.218 2.337 9.815 654 1HG2 THR 83 1HG2 THR 83 4.983 0.198 8.092 655 2HG2 THR 83 2HG2 THR 83 3.372 0.145 7.375 656 3HG2 THR 83 3HG2 THR 83 3.627 -0.451 9.014 657 H ILE 84 H ILE 84 1.137 1.417 6.162 658 HA ILE 84 HA ILE 84 -1.208 1.152 7.861 659 HB ILE 84 HB ILE 84 -0.853 0.510 4.931 660 1HG1 ILE 84 1HG1 ILE 84 -2.192 2.875 6.262 661 2HG1 ILE 84 2HG1 ILE 84 -0.605 2.914 5.502 662 1HG2 ILE 84 1HG2 ILE 84 -2.643 -0.806 5.757 663 2HG2 ILE 84 2HG2 ILE 84 -3.280 0.534 6.707 664 3HG2 ILE 84 3HG2 ILE 84 -3.371 0.581 4.947 665 1HD1 ILE 84 1HD1 ILE 84 -2.180 3.833 3.980 666 2HD1 ILE 84 2HD1 ILE 84 -1.703 2.250 3.365 667 3HD1 ILE 84 3HD1 ILE 84 -3.258 2.451 4.171 668 H ASP 85 H ASP 85 -1.773 -0.662 8.859 669 HA ASP 85 HA ASP 85 -0.185 -3.021 8.658 670 1HB ASP 85 1HB ASP 85 -2.478 -2.100 10.280 671 2HB ASP 85 2HB ASP 85 -2.366 -3.843 10.048 672 H VAL 86 H VAL 86 -0.785 -5.080 7.921 673 HA VAL 86 HA VAL 86 -3.255 -5.377 6.420 674 HB VAL 86 HB VAL 86 -0.561 -5.657 5.081 675 1HG1 VAL 86 1HG1 VAL 86 -2.153 -6.056 3.058 676 2HG1 VAL 86 2HG1 VAL 86 -1.769 -7.390 4.148 677 3HG1 VAL 86 3HG1 VAL 86 -3.307 -6.539 4.301 678 1HG2 VAL 86 1HG2 VAL 86 -1.081 -3.381 5.048 679 2HG2 VAL 86 2HG2 VAL 86 -1.672 -3.971 3.494 680 3HG2 VAL 86 3HG2 VAL 86 -2.804 -3.682 4.816 681 H PHE 87 H PHE 87 -3.892 -7.498 6.160 682 HA PHE 87 HA PHE 87 -2.068 -9.625 6.969 683 1HB PHE 87 1HB PHE 87 -3.994 -10.553 8.426 684 2HB PHE 87 2HB PHE 87 -3.004 -9.252 9.081 685 HD1 PHE 87 1HD PHE 87 -3.929 -7.124 9.570 686 HD2 PHE 87 2HD PHE 87 -6.264 -10.075 7.581 687 HE1 PHE 87 1HE PHE 87 -5.952 -5.775 9.949 688 HE2 PHE 87 2HE PHE 87 -8.290 -8.730 7.955 689 HZ PHE 87 HZ PHE 87 -8.135 -6.577 9.140 690 H GLN 88 H GLN 88 -3.210 -11.818 6.726 691 HA GLN 88 HA GLN 88 -5.020 -11.726 4.404 692 1HB GLN 88 1HB GLN 88 -3.896 -13.645 3.457 693 2HB GLN 88 2HB GLN 88 -2.716 -12.377 3.762 694 1HG GLN 88 1HG GLN 88 -1.847 -13.504 5.645 695 2HG GLN 88 2HG GLN 88 -3.197 -14.638 5.677 696 1HE2 GLN 88 1HE2 GLN 88 -3.408 -15.518 3.177 697 2HE2 GLN 88 2HE2 GLN 88 -1.961 -16.311 2.664 698 H GLN 89 H GLN 89 -5.925 -14.099 4.061 699 HA GLN 89 HA GLN 89 -6.882 -15.029 6.689 700 1HB GLN 89 1HB GLN 89 -8.403 -15.108 4.079 701 2HB GLN 89 2HB GLN 89 -9.010 -15.571 5.663 702 1HG GLN 89 1HG GLN 89 -8.081 -12.789 5.015 703 2HG GLN 89 2HG GLN 89 -9.747 -13.327 4.805 704 1HE2 GLN 89 1HE2 GLN 89 -8.969 -11.230 6.490 705 2HE2 GLN 89 2HE2 GLN 89 -9.310 -11.687 8.121 706 H GLN 90 H GLN 90 -4.585 -15.945 5.039 707 HA GLN 90 HA GLN 90 -5.298 -18.778 5.026 708 1HB GLN 90 1HB GLN 90 -5.349 -17.558 2.666 709 2HB GLN 90 2HB GLN 90 -3.612 -17.815 2.765 710 1HG GLN 90 1HG GLN 90 -3.807 -20.106 2.678 711 2HG GLN 90 2HG GLN 90 -5.467 -20.093 3.272 712 1HE2 GLN 90 1HE2 GLN 90 -3.408 -19.562 0.503 713 2HE2 GLN 90 2HE2 GLN 90 -4.651 -19.680 -0.691 714 H THR 91 H THR 91 -3.201 -20.105 4.580 715 HA THR 91 HA THR 91 -1.224 -19.130 6.479 716 HB THR 91 HB THR 91 -1.468 -21.820 5.117 717 HG1 THR 91 1HG THR 91 -2.774 -22.271 6.713 718 1HG2 THR 91 1HG2 THR 91 0.637 -20.620 6.748 719 2HG2 THR 91 2HG2 THR 91 0.672 -22.068 5.742 720 3HG2 THR 91 3HG2 THR 91 0.045 -22.153 7.388 721 H GLY 92 H GLY 92 -1.597 -19.591 3.070 722 1HA GLY 92 2HA GLY 92 1.198 -19.658 2.437 723 2HA GLY 92 3HA GLY 92 -0.122 -19.410 1.304 724 H GLY 93 H GLY 93 2.461 -17.967 2.914 725 1HA GLY 93 2HA GLY 93 1.972 -15.452 1.618 726 2HA GLY 93 3HA GLY 93 1.783 -15.358 3.363 727 H VAL 94 H VAL 94 3.668 -13.809 2.199 728 HA VAL 94 HA VAL 94 6.211 -15.201 2.717 729 HB VAL 94 HB VAL 94 7.236 -13.212 1.514 730 1HG1 VAL 94 1HG1 VAL 94 6.771 -15.534 0.567 731 2HG1 VAL 94 2HG1 VAL 94 5.386 -14.799 -0.243 732 3HG1 VAL 94 3HG1 VAL 94 7.019 -14.228 -0.591 733 1HG2 VAL 94 1HG2 VAL 94 4.805 -12.698 0.003 734 2HG2 VAL 94 2HG2 VAL 94 4.679 -12.193 1.688 735 3HG2 VAL 94 3HG2 VAL 94 5.979 -11.567 0.675 736 H TYR 95 H TYR 95 6.817 -14.887 4.762 737 HA TYR 95 HA TYR 95 6.632 -12.157 5.857 738 1HB TYR 95 1HB TYR 95 6.337 -13.105 8.069 739 2HB TYR 95 2HB TYR 95 5.112 -13.761 6.988 740 HD1 TYR 95 1HD TYR 95 8.265 -14.520 8.754 741 HD2 TYR 95 2HD TYR 95 5.001 -16.095 6.525 742 HE1 TYR 95 1HE TYR 95 8.948 -16.800 9.376 743 HE2 TYR 95 2HE TYR 95 5.674 -18.379 7.142 744 HH TYR 95 HH TYR 95 7.872 -19.050 9.591 Start of MODEL 12 1 1H MET 1 1H MET 1 -7.655 -10.356 -14.551 2 HA MET 1 HA MET 1 -6.265 -10.506 -12.098 3 1HB MET 1 1HB MET 1 -6.171 -12.889 -13.883 4 2HB MET 1 2HB MET 1 -4.675 -12.387 -13.107 5 1HG MET 1 1HG MET 1 -5.747 -12.554 -10.922 6 2HG MET 1 2HG MET 1 -7.249 -13.052 -11.698 7 1HE MET 1 1HE MET 1 -7.380 -15.609 -13.107 8 2HE MET 1 2HE MET 1 -7.076 -16.676 -11.736 9 3HE MET 1 3HE MET 1 -7.962 -15.169 -11.501 10 H ALA 2 H ALA 2 -4.791 -8.965 -12.289 11 HA ALA 2 HA ALA 2 -3.381 -8.662 -14.855 12 1HB ALA 2 1HB ALA 2 -4.899 -6.638 -13.316 13 2HB ALA 2 2HB ALA 2 -3.382 -6.121 -14.054 14 3HB ALA 2 3HB ALA 2 -4.664 -6.800 -15.057 15 H ASP 3 H ASP 3 -1.270 -8.914 -14.603 16 HA ASP 3 HA ASP 3 -0.071 -8.228 -11.999 17 1HB ASP 3 1HB ASP 3 1.729 -9.904 -12.710 18 2HB ASP 3 2HB ASP 3 0.164 -10.563 -12.242 19 H GLU 4 H GLU 4 -0.050 -6.039 -13.116 20 HA GLU 4 HA GLU 4 1.726 -5.570 -15.274 21 1HB GLU 4 1HB GLU 4 -0.179 -4.078 -14.265 22 2HB GLU 4 2HB GLU 4 1.106 -3.469 -13.231 23 1HG GLU 4 1HG GLU 4 2.374 -2.762 -15.161 24 2HG GLU 4 2HG GLU 4 1.167 -3.458 -16.240 25 H LYS 5 H LYS 5 3.837 -4.894 -15.318 26 HA LYS 5 HA LYS 5 5.296 -5.045 -12.761 27 1HB LYS 5 1HB LYS 5 6.127 -5.933 -15.523 28 2HB LYS 5 2HB LYS 5 7.260 -5.766 -14.188 29 1HG LYS 5 1HG LYS 5 5.786 -7.378 -12.912 30 2HG LYS 5 2HG LYS 5 4.963 -7.683 -14.444 31 1HD LYS 5 1HD LYS 5 6.940 -8.536 -15.438 32 2HD LYS 5 2HD LYS 5 7.943 -7.953 -14.108 33 1HE LYS 5 1HE LYS 5 5.749 -9.860 -13.484 34 2HE LYS 5 2HE LYS 5 7.187 -10.485 -14.289 35 1HZ LYS 5 1HZ LYS 5 7.894 -10.681 -12.174 36 2HZ LYS 5 2HZ LYS 5 6.869 -9.473 -11.582 37 3HZ LYS 5 3HZ LYS 5 8.309 -9.051 -12.364 38 HA PRO 6 HA PRO 6 5.843 -0.802 -14.626 39 1HB PRO 6 1HB PRO 6 5.255 0.551 -12.347 40 2HB PRO 6 2HB PRO 6 4.023 0.047 -13.509 41 1HG PRO 6 1HG PRO 6 4.837 -1.242 -10.933 42 2HG PRO 6 2HG PRO 6 3.210 -0.977 -11.587 43 1HD PRO 6 1HD PRO 6 4.470 -3.369 -11.741 44 2HD PRO 6 2HD PRO 6 3.338 -2.804 -12.986 45 H LYS 7 H LYS 7 8.015 -0.693 -14.812 46 HA LYS 7 HA LYS 7 9.580 -0.440 -12.327 47 1HB LYS 7 1HB LYS 7 11.510 -1.352 -13.625 48 2HB LYS 7 2HB LYS 7 10.202 -2.503 -13.388 49 1HG LYS 7 1HG LYS 7 9.619 -2.511 -15.600 50 2HG LYS 7 2HG LYS 7 10.241 -0.883 -15.883 51 1HD LYS 7 1HD LYS 7 12.541 -1.762 -15.645 52 2HD LYS 7 2HD LYS 7 11.874 -3.387 -15.469 53 1HE LYS 7 1HE LYS 7 12.470 -3.251 -17.725 54 2HE LYS 7 2HE LYS 7 10.731 -2.959 -17.718 55 1HZ LYS 7 1HZ LYS 7 11.904 -1.398 -19.149 56 2HZ LYS 7 2HZ LYS 7 12.825 -0.856 -17.838 57 3HZ LYS 7 3HZ LYS 7 11.154 -0.592 -17.864 58 H GLU 8 H GLU 8 8.556 1.840 -13.088 59 HA GLU 8 HA GLU 8 10.803 3.249 -14.347 60 1HB GLU 8 1HB GLU 8 7.880 3.519 -15.021 61 2HB GLU 8 2HB GLU 8 9.031 4.803 -15.360 62 1HG GLU 8 1HG GLU 8 9.303 1.989 -16.384 63 2HG GLU 8 2HG GLU 8 8.548 3.303 -17.284 64 H GLY 9 H GLY 9 10.610 5.680 -13.956 65 1HA GLY 9 2HA GLY 9 9.927 7.474 -12.559 66 2HA GLY 9 3HA GLY 9 9.255 6.305 -11.432 67 H VAL 10 H VAL 10 11.998 8.167 -12.304 68 HA VAL 10 HA VAL 10 13.471 7.043 -10.011 69 HB VAL 10 HB VAL 10 15.576 7.588 -11.146 70 1HG1 VAL 10 1HG1 VAL 10 13.731 5.818 -12.746 71 2HG1 VAL 10 2HG1 VAL 10 15.491 5.824 -12.868 72 3HG1 VAL 10 3HG1 VAL 10 14.712 5.338 -11.362 73 1HG2 VAL 10 1HG2 VAL 10 14.672 7.847 -13.832 74 2HG2 VAL 10 2HG2 VAL 10 13.879 9.081 -12.853 75 3HG2 VAL 10 3HG2 VAL 10 15.639 8.974 -12.880 76 H LYS 11 H LYS 11 11.619 9.205 -9.906 77 HA LYS 11 HA LYS 11 13.266 11.163 -8.629 78 1HB LYS 11 1HB LYS 11 12.200 13.047 -10.075 79 2HB LYS 11 2HB LYS 11 13.622 12.201 -10.672 80 1HG LYS 11 1HG LYS 11 12.043 12.457 -12.458 81 2HG LYS 11 2HG LYS 11 12.147 10.750 -12.021 82 1HD LYS 11 1HD LYS 11 10.062 10.779 -10.954 83 2HD LYS 11 2HD LYS 11 10.043 12.541 -10.847 84 1HE LYS 11 1HE LYS 11 9.813 12.683 -13.279 85 2HE LYS 11 2HE LYS 11 9.837 10.923 -13.386 86 1HZ LYS 11 1HZ LYS 11 7.794 10.800 -12.195 87 2HZ LYS 11 2HZ LYS 11 7.583 11.914 -13.451 88 3HZ LYS 11 3HZ LYS 11 7.804 12.460 -11.865 89 H THR 12 H THR 12 11.725 13.176 -8.097 90 HA THR 12 HA THR 12 8.997 12.282 -7.576 91 HB THR 12 HB THR 12 9.247 13.135 -5.169 92 HG1 THR 12 1HG THR 12 11.961 12.809 -5.938 93 1HG2 THR 12 1HG2 THR 12 10.782 10.609 -5.730 94 2HG2 THR 12 2HG2 THR 12 9.037 10.717 -5.966 95 3HG2 THR 12 3HG2 THR 12 9.729 10.974 -4.364 96 H GLU 13 H GLU 13 7.612 13.881 -7.960 97 HA GLU 13 HA GLU 13 8.516 16.490 -8.640 98 1HB GLU 13 1HB GLU 13 5.808 15.225 -8.342 99 2HB GLU 13 2HB GLU 13 5.965 16.953 -8.620 100 1HG GLU 13 1HG GLU 13 7.139 14.843 -10.412 101 2HG GLU 13 2HG GLU 13 5.573 15.609 -10.671 102 H ASN 14 H ASN 14 7.007 18.374 -7.661 103 HA ASN 14 HA ASN 14 7.665 18.400 -4.810 104 1HB ASN 14 1HB ASN 14 7.192 20.536 -6.865 105 2HB ASN 14 2HB ASN 14 7.050 20.915 -5.151 106 1HD2 ASN 14 1HD2 ASN 14 9.256 19.150 -7.303 107 2HD2 ASN 14 2HD2 ASN 14 10.706 19.796 -6.621 108 H ASN 15 H ASN 15 5.595 16.818 -5.043 109 HA ASN 15 HA ASN 15 3.149 18.392 -4.713 110 1HB ASN 15 1HB ASN 15 3.568 15.407 -4.977 111 2HB ASN 15 2HB ASN 15 2.000 16.185 -4.788 112 1HD2 ASN 15 1HD2 ASN 15 1.730 14.925 -6.845 113 2HD2 ASN 15 2HD2 ASN 15 2.110 15.745 -8.318 114 H ASP 16 H ASP 16 4.169 15.375 -3.147 115 HA ASP 16 HA ASP 16 4.366 16.562 -0.550 116 1HB ASP 16 1HB ASP 16 1.855 15.170 -1.380 117 2HB ASP 16 2HB ASP 16 2.437 14.949 0.268 118 H HIS 17 H HIS 17 4.561 14.791 1.167 119 HA HIS 17 HA HIS 17 5.328 12.179 0.225 120 1HB HIS 17 1HB HIS 17 7.659 12.411 1.235 121 2HB HIS 17 2HB HIS 17 7.392 13.200 -0.316 122 HD1 HIS 17 1HD HIS 17 7.238 15.819 -0.295 123 HD2 HIS 17 2HD HIS 17 8.300 14.097 3.334 124 HE1 HIS 17 1HE HIS 17 8.135 17.704 1.107 125 H ILE 18 H ILE 18 3.967 11.249 1.682 126 HA ILE 18 HA ILE 18 4.289 11.936 4.517 127 HB ILE 18 HB ILE 18 2.181 10.934 4.937 128 1HG1 ILE 18 1HG1 ILE 18 2.296 9.889 2.100 129 2HG1 ILE 18 2HG1 ILE 18 2.426 8.929 3.570 130 1HG2 ILE 18 1HG2 ILE 18 1.836 12.321 2.289 131 2HG2 ILE 18 2HG2 ILE 18 0.711 12.276 3.646 132 3HG2 ILE 18 3HG2 ILE 18 2.225 13.171 3.785 133 1HD1 ILE 18 1HD1 ILE 18 0.001 10.503 2.737 134 2HD1 ILE 18 2HD1 ILE 18 0.218 8.765 2.528 135 3HD1 ILE 18 3HD1 ILE 18 0.141 9.455 4.149 136 H ASN 19 H ASN 19 3.505 9.706 5.792 137 HA ASN 19 HA ASN 19 5.307 7.570 4.878 138 1HB ASN 19 1HB ASN 19 6.034 9.212 6.892 139 2HB ASN 19 2HB ASN 19 5.126 8.010 7.804 140 1HD2 ASN 19 1HD2 ASN 19 5.821 5.836 7.759 141 2HD2 ASN 19 2HD2 ASN 19 7.457 5.435 7.373 142 H LEU 20 H LEU 20 4.588 5.515 5.183 143 HA LEU 20 HA LEU 20 2.207 5.074 6.822 144 1HB LEU 20 1HB LEU 20 2.410 4.083 3.986 145 2HB LEU 20 2HB LEU 20 1.043 3.903 5.085 146 HG LEU 20 HG LEU 20 1.474 6.664 4.852 147 1HD1 LEU 20 1HD1 LEU 20 2.614 6.806 2.909 148 2HD1 LEU 20 2HD1 LEU 20 1.009 6.576 2.216 149 3HD1 LEU 20 3HD1 LEU 20 2.109 5.206 2.365 150 1HD2 LEU 20 1HD2 LEU 20 -0.726 6.685 3.998 151 2HD2 LEU 20 2HD2 LEU 20 -0.650 5.310 5.100 152 3HD2 LEU 20 3HD2 LEU 20 -0.575 5.048 3.357 153 H LYS 21 H LYS 21 1.869 2.873 7.416 154 HA LYS 21 HA LYS 21 4.202 1.129 6.975 155 1HB LYS 21 1HB LYS 21 2.684 1.640 9.532 156 2HB LYS 21 2HB LYS 21 3.758 0.264 9.318 157 1HG LYS 21 1HG LYS 21 5.621 1.803 8.888 158 2HG LYS 21 2HG LYS 21 4.536 3.169 9.155 159 1HD LYS 21 1HD LYS 21 4.063 2.005 11.433 160 2HD LYS 21 2HD LYS 21 5.583 1.165 11.116 161 1HE LYS 21 1HE LYS 21 5.488 4.129 10.826 162 2HE LYS 21 2HE LYS 21 5.526 3.438 12.447 163 1HZ LYS 21 1HZ LYS 21 7.564 3.299 10.328 164 2HZ LYS 21 2HZ LYS 21 7.499 2.091 11.509 165 3HZ LYS 21 3HZ LYS 21 7.746 3.702 11.961 166 H VAL 22 H VAL 22 3.567 -0.539 5.783 167 HA VAL 22 HA VAL 22 0.816 -1.476 5.893 168 HB VAL 22 HB VAL 22 3.101 -2.457 4.176 169 1HG1 VAL 22 1HG1 VAL 22 1.407 -3.533 2.838 170 2HG1 VAL 22 2HG1 VAL 22 1.257 -4.075 4.511 171 3HG1 VAL 22 3HG1 VAL 22 0.131 -2.880 3.865 172 1HG2 VAL 22 1HG2 VAL 22 2.167 -1.109 2.403 173 2HG2 VAL 22 2HG2 VAL 22 0.864 -0.564 3.459 174 3HG2 VAL 22 3HG2 VAL 22 2.527 -0.082 3.791 175 H ALA 23 H ALA 23 0.649 -2.496 7.883 176 HA ALA 23 HA ALA 23 2.208 -4.985 8.142 177 1HB ALA 23 1HB ALA 23 2.182 -4.741 10.547 178 2HB ALA 23 2HB ALA 23 2.895 -3.305 9.811 179 3HB ALA 23 3HB ALA 23 1.238 -3.257 10.415 180 H GLY 24 H GLY 24 0.923 -6.673 7.805 181 1HA GLY 24 2HA GLY 24 -1.936 -6.481 8.068 182 2HA GLY 24 3HA GLY 24 -1.023 -7.907 7.597 183 H GLN 25 H GLN 25 -3.270 -7.411 9.557 184 HA GLN 25 HA GLN 25 -2.354 -7.706 12.185 185 1HB GLN 25 1HB GLN 25 -4.647 -7.139 11.792 186 2HB GLN 25 2HB GLN 25 -4.911 -8.605 10.858 187 1HG GLN 25 1HG GLN 25 -4.045 -8.859 13.690 188 2HG GLN 25 2HG GLN 25 -5.713 -8.402 13.348 189 1HE2 GLN 25 1HE2 GLN 25 -4.544 -10.849 14.523 190 2HE2 GLN 25 2HE2 GLN 25 -5.146 -12.151 13.560 191 H ASP 26 H ASP 26 -2.293 -9.887 9.569 192 HA ASP 26 HA ASP 26 -2.323 -12.304 11.125 193 1HB ASP 26 1HB ASP 26 -3.070 -12.587 8.913 194 2HB ASP 26 2HB ASP 26 -1.723 -11.667 8.247 195 H GLY 27 H GLY 27 0.239 -11.117 8.951 196 1HA GLY 27 2HA GLY 27 2.234 -11.151 11.008 197 2HA GLY 27 3HA GLY 27 2.330 -12.567 9.972 198 H SER 28 H SER 28 1.846 -9.059 9.527 199 HA SER 28 HA SER 28 4.150 -9.023 7.726 200 1HB SER 28 1HB SER 28 2.594 -9.198 6.031 201 2HB SER 28 2HB SER 28 1.322 -8.422 6.974 202 HG SER 28 HG SER 28 2.128 -7.087 5.276 203 H VAL 29 H VAL 29 5.081 -6.949 7.431 204 HA VAL 29 HA VAL 29 4.056 -4.575 8.551 205 HB VAL 29 HB VAL 29 4.421 -5.544 10.708 206 1HG1 VAL 29 1HG1 VAL 29 7.223 -5.938 10.822 207 2HG1 VAL 29 2HG1 VAL 29 5.939 -7.132 11.024 208 3HG1 VAL 29 3HG1 VAL 29 6.615 -6.823 9.424 209 1HG2 VAL 29 1HG2 VAL 29 6.890 -3.958 10.662 210 2HG2 VAL 29 2HG2 VAL 29 5.494 -3.172 9.924 211 3HG2 VAL 29 3HG2 VAL 29 5.410 -3.730 11.595 212 H VAL 30 H VAL 30 4.869 -3.259 7.055 213 HA VAL 30 HA VAL 30 7.755 -3.033 6.790 214 HB VAL 30 HB VAL 30 5.992 -3.545 4.390 215 1HG1 VAL 30 1HG1 VAL 30 7.664 -1.852 3.902 216 2HG1 VAL 30 2HG1 VAL 30 8.933 -2.893 4.548 217 3HG1 VAL 30 3HG1 VAL 30 8.065 -3.363 3.086 218 1HG2 VAL 30 1HG2 VAL 30 6.517 -5.592 5.560 219 2HG2 VAL 30 2HG2 VAL 30 7.452 -5.514 4.066 220 3HG2 VAL 30 3HG2 VAL 30 8.227 -5.162 5.611 221 H GLN 31 H GLN 31 8.362 -0.965 6.596 222 HA GLN 31 HA GLN 31 6.329 1.079 6.521 223 1HB GLN 31 1HB GLN 31 9.337 1.355 6.644 224 2HB GLN 31 2HB GLN 31 8.167 2.634 6.938 225 1HG GLN 31 1HG GLN 31 7.622 1.859 9.003 226 2HG GLN 31 2HG GLN 31 7.962 0.180 8.585 227 1HE2 GLN 31 1HE2 GLN 31 9.291 -0.311 10.251 228 2HE2 GLN 31 2HE2 GLN 31 10.829 0.430 10.514 229 H PHE 32 H PHE 32 6.127 2.720 4.987 230 HA PHE 32 HA PHE 32 7.727 2.603 2.567 231 1HB PHE 32 1HB PHE 32 5.055 1.474 2.745 232 2HB PHE 32 2HB PHE 32 5.141 2.750 1.535 233 HD1 PHE 32 1HD PHE 32 6.440 -0.536 2.536 234 HD2 PHE 32 2HD PHE 32 6.377 2.462 -0.486 235 HE1 PHE 32 1HE PHE 32 7.461 -2.117 0.951 236 HE2 PHE 32 2HE PHE 32 7.397 0.885 -2.075 237 HZ PHE 32 HZ PHE 32 7.940 -1.408 -1.358 238 H LYS 33 H LYS 33 7.283 4.416 1.107 239 HA LYS 33 HA LYS 33 6.001 6.690 2.468 240 1HB LYS 33 1HB LYS 33 7.773 8.160 1.711 241 2HB LYS 33 2HB LYS 33 8.463 6.842 2.648 242 1HG LYS 33 1HG LYS 33 9.894 6.601 0.965 243 2HG LYS 33 2HG LYS 33 8.551 5.874 0.080 244 1HD LYS 33 1HD LYS 33 7.992 8.379 -0.487 245 2HD LYS 33 2HD LYS 33 9.703 8.618 -0.123 246 1HE LYS 33 1HE LYS 33 8.801 6.462 -2.001 247 2HE LYS 33 2HE LYS 33 9.012 8.121 -2.557 248 1HZ LYS 33 1HZ LYS 33 11.127 6.553 -1.189 249 2HZ LYS 33 2HZ LYS 33 11.297 8.062 -1.933 250 3HZ LYS 33 3HZ LYS 33 10.990 6.687 -2.870 251 H ILE 34 H ILE 34 4.881 8.122 1.184 252 HA ILE 34 HA ILE 34 4.998 7.976 -1.688 253 HB ILE 34 HB ILE 34 3.423 6.081 -0.787 254 1HG1 ILE 34 1HG1 ILE 34 1.994 7.641 -2.843 255 2HG1 ILE 34 2HG1 ILE 34 3.702 7.370 -3.172 256 1HG2 ILE 34 1HG2 ILE 34 2.206 7.882 0.614 257 2HG2 ILE 34 2HG2 ILE 34 1.393 8.276 -0.900 258 3HG2 ILE 34 3HG2 ILE 34 1.249 6.656 -0.217 259 1HD1 ILE 34 1HD1 ILE 34 3.081 5.424 -4.032 260 2HD1 ILE 34 2HD1 ILE 34 2.792 4.893 -2.375 261 3HD1 ILE 34 3HD1 ILE 34 1.465 5.544 -3.336 262 H LYS 35 H LYS 35 3.358 9.478 -2.691 263 HA LYS 35 HA LYS 35 3.381 11.959 -1.223 264 1HB LYS 35 1HB LYS 35 2.090 11.471 -3.904 265 2HB LYS 35 2HB LYS 35 2.688 12.991 -3.252 266 1HG LYS 35 1HG LYS 35 4.962 12.246 -3.454 267 2HG LYS 35 2HG LYS 35 4.431 10.635 -3.943 268 1HD LYS 35 1HD LYS 35 3.510 11.498 -5.987 269 2HD LYS 35 2HD LYS 35 3.815 13.159 -5.476 270 1HE LYS 35 1HE LYS 35 6.222 12.721 -5.501 271 2HE LYS 35 2HE LYS 35 5.917 11.059 -6.005 272 1HZ LYS 35 1HZ LYS 35 6.479 12.361 -7.911 273 2HZ LYS 35 2HZ LYS 35 5.305 13.522 -7.544 274 3HZ LYS 35 3HZ LYS 35 4.837 11.967 -8.015 275 H ARG 36 H ARG 36 1.564 13.223 -0.691 276 HA ARG 36 HA ARG 36 -0.548 11.920 0.529 277 1HB ARG 36 1HB ARG 36 0.088 14.245 1.010 278 2HB ARG 36 2HB ARG 36 -0.515 14.738 -0.567 279 1HG ARG 36 1HG ARG 36 -2.769 14.123 0.068 280 2HG ARG 36 2HG ARG 36 -2.188 13.533 1.627 281 1HD ARG 36 1HD ARG 36 -1.194 16.009 1.719 282 2HD ARG 36 2HD ARG 36 -2.571 16.307 0.659 283 HE ARG 36 HE ARG 36 -3.234 14.830 3.035 284 1HH1 ARG 36 2HH1 ARG 36 -2.806 17.998 1.656 285 2HH1 ARG 36 1HH1 ARG 36 -3.834 18.781 2.809 286 1HH2 ARG 36 2HH2 ARG 36 -4.590 15.850 4.559 287 2HH2 ARG 36 1HH2 ARG 36 -4.848 17.559 4.460 288 H HIS 37 H HIS 37 -0.505 13.508 -2.654 289 HA HIS 37 HA HIS 37 -3.108 12.310 -3.262 290 1HB HIS 37 1HB HIS 37 -2.925 14.693 -3.711 291 2HB HIS 37 2HB HIS 37 -1.506 14.423 -4.718 292 HD1 HIS 37 1HD HIS 37 -2.481 15.279 -6.889 293 HD2 HIS 37 2HD HIS 37 -4.796 12.314 -5.126 294 HE1 HIS 37 1HE HIS 37 -4.205 14.658 -8.612 295 H THR 38 H THR 38 -2.092 10.170 -3.389 296 HA THR 38 HA THR 38 -1.184 9.647 -6.115 297 HB THR 38 HB THR 38 0.427 9.153 -3.666 298 HG1 THR 38 1HG THR 38 1.394 9.295 -6.307 299 1HG2 THR 38 1HG2 THR 38 0.028 6.880 -4.231 300 2HG2 THR 38 2HG2 THR 38 1.612 7.284 -4.893 301 3HG2 THR 38 3HG2 THR 38 0.207 7.206 -5.955 302 HA PRO 39 HA PRO 39 -4.080 6.344 -5.685 303 1HB PRO 39 1HB PRO 39 -3.343 4.904 -7.865 304 2HB PRO 39 2HB PRO 39 -4.256 6.413 -7.975 305 1HG PRO 39 1HG PRO 39 -1.323 5.943 -8.346 306 2HG PRO 39 2HG PRO 39 -2.425 6.951 -9.303 307 1HD PRO 39 1HD PRO 39 -0.757 7.983 -7.436 308 2HD PRO 39 2HD PRO 39 -2.345 8.691 -7.794 309 H LEU 40 H LEU 40 -3.860 4.845 -4.150 310 HA LEU 40 HA LEU 40 -1.533 3.630 -3.302 311 1HB LEU 40 1HB LEU 40 -4.286 2.409 -3.199 312 2HB LEU 40 2HB LEU 40 -2.922 2.025 -2.150 313 HG LEU 40 HG LEU 40 -3.969 4.818 -2.186 314 1HD1 LEU 40 1HD1 LEU 40 -5.870 4.397 -1.061 315 2HD1 LEU 40 2HD1 LEU 40 -5.190 3.007 -0.214 316 3HD1 LEU 40 3HD1 LEU 40 -5.769 2.833 -1.871 317 1HD2 LEU 40 1HD2 LEU 40 -1.904 3.955 -0.931 318 2HD2 LEU 40 2HD2 LEU 40 -3.056 3.170 0.149 319 3HD2 LEU 40 3HD2 LEU 40 -3.073 4.924 -0.034 320 H SER 41 H SER 41 -3.492 2.882 -6.043 321 HA SER 41 HA SER 41 -3.015 0.227 -6.526 322 1HB SER 41 1HB SER 41 -3.194 0.762 -8.933 323 2HB SER 41 2HB SER 41 -4.417 1.607 -7.983 324 HG SER 41 HG SER 41 -3.185 2.860 -9.616 325 H LYS 42 H LYS 42 -0.955 2.912 -7.655 326 HA LYS 42 HA LYS 42 1.082 1.446 -8.790 327 1HB LYS 42 1HB LYS 42 2.386 3.382 -8.711 328 2HB LYS 42 2HB LYS 42 0.741 4.002 -8.674 329 1HG LYS 42 1HG LYS 42 0.896 4.265 -6.248 330 2HG LYS 42 2HG LYS 42 2.551 3.653 -6.292 331 1HD LYS 42 1HD LYS 42 1.541 6.145 -7.663 332 2HD LYS 42 2HD LYS 42 2.517 6.093 -6.193 333 1HE LYS 42 1HE LYS 42 4.202 6.390 -7.677 334 2HE LYS 42 2HE LYS 42 4.083 4.636 -7.797 335 1HZ LYS 42 1HZ LYS 42 2.240 5.678 -9.582 336 2HZ LYS 42 2HZ LYS 42 3.693 4.895 -9.947 337 3HZ LYS 42 3HZ LYS 42 3.655 6.579 -9.800 338 H LEU 43 H LEU 43 0.403 1.996 -5.415 339 HA LEU 43 HA LEU 43 2.942 1.113 -4.443 340 1HB LEU 43 1HB LEU 43 1.013 2.524 -3.316 341 2HB LEU 43 2HB LEU 43 0.482 0.931 -2.778 342 HG LEU 43 HG LEU 43 2.632 0.595 -1.656 343 1HD1 LEU 43 1HD1 LEU 43 3.332 2.980 -3.175 344 2HD1 LEU 43 2HD1 LEU 43 4.366 1.740 -2.468 345 3HD1 LEU 43 3HD1 LEU 43 3.786 3.076 -1.474 346 1HD2 LEU 43 1HD2 LEU 43 2.309 2.196 0.142 347 2HD2 LEU 43 2HD2 LEU 43 0.754 1.598 -0.438 348 3HD2 LEU 43 3HD2 LEU 43 1.314 3.203 -0.910 349 H MET 44 H MET 44 -0.287 -0.383 -4.145 350 HA MET 44 HA MET 44 0.534 -2.874 -3.279 351 1HB MET 44 1HB MET 44 -1.614 -3.718 -4.244 352 2HB MET 44 2HB MET 44 -1.791 -2.291 -3.230 353 1HG MET 44 1HG MET 44 -1.822 -0.910 -5.301 354 2HG MET 44 2HG MET 44 -1.837 -2.405 -6.234 355 1HE MET 44 1HE MET 44 -3.299 -4.171 -5.969 356 2HE MET 44 2HE MET 44 -4.719 -4.257 -4.926 357 3HE MET 44 3HE MET 44 -4.874 -3.662 -6.579 358 H LYS 45 H LYS 45 0.092 -1.740 -6.613 359 HA LYS 45 HA LYS 45 0.546 -4.081 -7.994 360 1HB LYS 45 1HB LYS 45 1.210 -1.218 -8.627 361 2HB LYS 45 2HB LYS 45 1.606 -2.509 -9.754 362 1HG LYS 45 1HG LYS 45 -1.171 -2.101 -8.689 363 2HG LYS 45 2HG LYS 45 -0.575 -1.285 -10.136 364 1HD LYS 45 1HD LYS 45 0.090 -3.691 -10.884 365 2HD LYS 45 2HD LYS 45 -1.090 -4.195 -9.672 366 1HE LYS 45 1HE LYS 45 -2.807 -2.862 -10.775 367 2HE LYS 45 2HE LYS 45 -1.629 -2.310 -11.966 368 1HZ LYS 45 1HZ LYS 45 -2.567 -4.026 -13.097 369 2HZ LYS 45 2HZ LYS 45 -2.929 -4.918 -11.707 370 3HZ LYS 45 3HZ LYS 45 -1.346 -4.886 -12.302 371 H ALA 46 H ALA 46 3.000 -1.688 -7.012 372 HA ALA 46 HA ALA 46 5.232 -3.106 -7.930 373 1HB ALA 46 1HB ALA 46 5.088 -1.178 -5.615 374 2HB ALA 46 2HB ALA 46 6.547 -1.660 -6.483 375 3HB ALA 46 3HB ALA 46 5.293 -0.735 -7.310 376 H TYR 47 H TYR 47 3.588 -3.151 -4.796 377 HA TYR 47 HA TYR 47 5.346 -4.658 -3.309 378 1HB TYR 47 1HB TYR 47 3.251 -3.650 -2.444 379 2HB TYR 47 2HB TYR 47 2.331 -4.904 -3.269 380 HD1 TYR 47 1HD TYR 47 1.311 -5.903 -1.371 381 HD2 TYR 47 2HD TYR 47 5.539 -5.439 -1.511 382 HE1 TYR 47 1HE TYR 47 1.531 -7.362 0.597 383 HE2 TYR 47 2HE TYR 47 5.770 -6.898 0.456 384 HH TYR 47 HH TYR 47 4.697 -8.010 2.060 385 H CYS 48 H CYS 48 2.447 -6.115 -4.776 386 HA CYS 48 HA CYS 48 3.241 -8.749 -4.583 387 1HB CYS 48 1HB CYS 48 1.530 -7.496 -6.741 388 2HB CYS 48 2HB CYS 48 1.614 -9.217 -6.384 389 HG CYS 48 HG CYS 48 -0.125 -6.810 -4.867 390 H GLU 49 H GLU 49 4.148 -6.346 -6.945 391 HA GLU 49 HA GLU 49 5.089 -7.882 -9.028 392 1HB GLU 49 1HB GLU 49 5.072 -5.276 -8.610 393 2HB GLU 49 2HB GLU 49 6.732 -5.562 -8.110 394 1HG GLU 49 1HG GLU 49 6.810 -6.867 -10.411 395 2HG GLU 49 2HG GLU 49 5.495 -5.757 -10.795 396 H ARG 50 H ARG 50 6.723 -7.072 -5.995 397 HA ARG 50 HA ARG 50 8.944 -8.839 -6.731 398 1HB ARG 50 1HB ARG 50 10.031 -7.856 -4.679 399 2HB ARG 50 2HB ARG 50 9.711 -6.716 -5.979 400 1HG ARG 50 1HG ARG 50 8.136 -5.586 -4.792 401 2HG ARG 50 2HG ARG 50 7.648 -7.010 -3.871 402 1HD ARG 50 1HD ARG 50 8.851 -6.206 -2.179 403 2HD ARG 50 2HD ARG 50 10.290 -6.570 -3.131 404 HE ARG 50 HE ARG 50 9.135 -3.971 -2.641 405 1HH1 ARG 50 2HH1 ARG 50 11.244 -5.870 -4.657 406 2HH1 ARG 50 1HH1 ARG 50 12.143 -4.504 -5.228 407 1HH2 ARG 50 2HH2 ARG 50 10.312 -2.164 -3.386 408 2HH2 ARG 50 1HH2 ARG 50 11.613 -2.396 -4.504 409 H GLN 51 H GLN 51 6.334 -8.450 -4.436 410 HA GLN 51 HA GLN 51 6.919 -11.141 -3.406 411 1HB GLN 51 1HB GLN 51 6.425 -8.623 -1.887 412 2HB GLN 51 2HB GLN 51 5.788 -10.126 -1.233 413 1HG GLN 51 1HG GLN 51 8.655 -9.901 -2.054 414 2HG GLN 51 2HG GLN 51 8.109 -9.325 -0.479 415 1HE2 GLN 51 1HE2 GLN 51 9.923 -11.191 -0.342 416 2HE2 GLN 51 2HE2 GLN 51 9.259 -12.733 0.061 417 H GLY 52 H GLY 52 5.310 -11.395 -5.294 418 1HA GLY 52 2HA GLY 52 2.559 -10.759 -4.588 419 2HA GLY 52 3HA GLY 52 3.107 -11.512 -6.078 420 H LEU 53 H LEU 53 2.791 -12.163 -2.596 421 HA LEU 53 HA LEU 53 2.649 -15.021 -3.113 422 1HB LEU 53 1HB LEU 53 2.315 -13.628 -0.469 423 2HB LEU 53 2HB LEU 53 2.744 -15.313 -0.759 424 HG LEU 53 HG LEU 53 4.478 -12.889 -1.217 425 1HD1 LEU 53 1HD1 LEU 53 4.012 -14.407 1.065 426 2HD1 LEU 53 2HD1 LEU 53 5.354 -13.299 0.782 427 3HD1 LEU 53 3HD1 LEU 53 5.537 -15.016 0.422 428 1HD2 LEU 53 1HD2 LEU 53 4.905 -14.438 -2.999 429 2HD2 LEU 53 2HD2 LEU 53 4.969 -15.791 -1.870 430 3HD2 LEU 53 3HD2 LEU 53 6.222 -14.550 -1.831 431 H SER 54 H SER 54 0.551 -12.347 -2.427 432 HA SER 54 HA SER 54 -1.769 -13.954 -2.975 433 1HB SER 54 1HB SER 54 -2.897 -13.213 -0.794 434 2HB SER 54 2HB SER 54 -1.715 -14.516 -0.677 435 HG SER 54 HG SER 54 -0.537 -13.290 0.548 436 H MET 55 H MET 55 -1.740 -12.377 -4.701 437 HA MET 55 HA MET 55 -2.178 -9.600 -4.070 438 1HB MET 55 1HB MET 55 -2.339 -9.276 -6.470 439 2HB MET 55 2HB MET 55 -0.951 -10.289 -6.099 440 1HG MET 55 1HG MET 55 -2.554 -12.256 -6.562 441 2HG MET 55 2HG MET 55 -3.552 -11.043 -7.360 442 1HE MET 55 1HE MET 55 -3.552 -10.944 -9.701 443 2HE MET 55 2HE MET 55 -2.341 -11.636 -10.780 444 3HE MET 55 3HE MET 55 -3.231 -12.679 -9.669 445 H ARG 56 H ARG 56 -4.117 -12.395 -4.501 446 HA ARG 56 HA ARG 56 -6.525 -10.925 -5.163 447 1HB ARG 56 1HB ARG 56 -7.606 -13.037 -5.303 448 2HB ARG 56 2HB ARG 56 -6.012 -13.245 -6.017 449 1HG ARG 56 1HG ARG 56 -5.249 -14.170 -3.816 450 2HG ARG 56 2HG ARG 56 -6.938 -14.148 -3.304 451 1HD ARG 56 1HD ARG 56 -6.291 -16.353 -4.130 452 2HD ARG 56 2HD ARG 56 -7.528 -15.624 -5.153 453 HE ARG 56 HE ARG 56 -5.117 -14.956 -6.301 454 1HH1 ARG 56 2HH1 ARG 56 -6.809 -17.890 -5.496 455 2HH1 ARG 56 1HH1 ARG 56 -6.109 -18.803 -6.791 456 1HH2 ARG 56 2HH2 ARG 56 -4.188 -16.148 -8.010 457 2HH2 ARG 56 1HH2 ARG 56 -4.617 -17.812 -8.220 458 H GLN 57 H GLN 57 -4.822 -11.119 -2.442 459 HA GLN 57 HA GLN 57 -7.218 -11.156 -0.727 460 1HB GLN 57 1HB GLN 57 -4.415 -12.099 -0.139 461 2HB GLN 57 2HB GLN 57 -5.598 -11.794 1.126 462 1HG GLN 57 1HG GLN 57 -6.855 -13.616 0.590 463 2HG GLN 57 2HG GLN 57 -6.372 -13.589 -1.106 464 1HE2 GLN 57 1HE2 GLN 57 -6.020 -15.858 -0.910 465 2HE2 GLN 57 2HE2 GLN 57 -4.565 -16.459 -0.199 466 H ILE 58 H ILE 58 -4.792 -9.274 -2.014 467 HA ILE 58 HA ILE 58 -4.057 -7.586 0.093 468 HB ILE 58 HB ILE 58 -4.357 -6.898 -2.833 469 1HG1 ILE 58 1HG1 ILE 58 -2.816 -8.782 -2.371 470 2HG1 ILE 58 2HG1 ILE 58 -1.973 -7.365 -2.990 471 1HG2 ILE 58 1HG2 ILE 58 -4.253 -4.846 -1.713 472 2HG2 ILE 58 2HG2 ILE 58 -3.090 -5.447 -0.533 473 3HG2 ILE 58 3HG2 ILE 58 -2.588 -5.163 -2.200 474 1HD1 ILE 58 1HD1 ILE 58 -2.034 -7.252 -0.140 475 2HD1 ILE 58 2HD1 ILE 58 -1.427 -8.825 -0.659 476 3HD1 ILE 58 3HD1 ILE 58 -0.648 -7.348 -1.226 477 H ARG 59 H ARG 59 -5.279 -6.329 1.321 478 HA ARG 59 HA ARG 59 -7.347 -4.680 0.132 479 1HB ARG 59 1HB ARG 59 -7.916 -6.997 1.898 480 2HB ARG 59 2HB ARG 59 -8.810 -5.518 2.222 481 1HG ARG 59 1HG ARG 59 -8.692 -6.864 -0.466 482 2HG ARG 59 2HG ARG 59 -9.976 -7.111 0.718 483 1HD ARG 59 1HD ARG 59 -10.869 -5.041 0.386 484 2HD ARG 59 2HD ARG 59 -9.313 -4.316 -0.016 485 HE ARG 59 HE ARG 59 -10.140 -6.146 -2.023 486 1HH1 ARG 59 2HH1 ARG 59 -10.712 -2.940 -0.792 487 2HH1 ARG 59 1HH1 ARG 59 -11.255 -2.312 -2.312 488 1HH2 ARG 59 2HH2 ARG 59 -10.853 -5.330 -4.031 489 2HH2 ARG 59 1HH2 ARG 59 -11.336 -3.672 -4.154 490 H PHE 60 H PHE 60 -6.967 -2.717 0.894 491 HA PHE 60 HA PHE 60 -5.434 -2.287 3.278 492 1HB PHE 60 1HB PHE 60 -6.672 -0.531 1.195 493 2HB PHE 60 2HB PHE 60 -6.156 0.184 2.719 494 HD1 PHE 60 1HD PHE 60 -5.138 -0.968 -0.503 495 HD2 PHE 60 2HD PHE 60 -3.743 -0.138 3.431 496 HE1 PHE 60 1HE PHE 60 -2.832 -0.841 -1.352 497 HE2 PHE 60 2HE PHE 60 -1.435 -0.009 2.589 498 HZ PHE 60 HZ PHE 60 -0.977 -0.360 0.195 499 H ARG 61 H ARG 61 -6.150 -2.000 5.285 500 HA ARG 61 HA ARG 61 -8.803 -0.926 5.777 501 1HB ARG 61 1HB ARG 61 -8.738 -3.575 5.591 502 2HB ARG 61 2HB ARG 61 -8.159 -3.439 7.246 503 1HG ARG 61 1HG ARG 61 -10.152 -2.324 7.932 504 2HG ARG 61 2HG ARG 61 -10.704 -2.175 6.262 505 1HD ARG 61 1HD ARG 61 -11.897 -3.975 7.318 506 2HD ARG 61 2HD ARG 61 -10.790 -4.648 6.122 507 HE ARG 61 HE ARG 61 -9.403 -4.695 8.485 508 1HH1 ARG 61 2HH1 ARG 61 -12.424 -5.992 7.339 509 2HH1 ARG 61 1HH1 ARG 61 -12.376 -7.375 8.382 510 1HH2 ARG 61 2HH2 ARG 61 -9.328 -6.512 9.862 511 2HH2 ARG 61 1HH2 ARG 61 -10.615 -7.669 9.817 512 H PHE 62 H PHE 62 -8.825 0.338 7.536 513 HA PHE 62 HA PHE 62 -6.497 0.206 9.334 514 1HB PHE 62 1HB PHE 62 -6.718 2.288 7.964 515 2HB PHE 62 2HB PHE 62 -8.249 2.607 8.774 516 HD1 PHE 62 1HD PHE 62 -8.321 3.510 10.965 517 HD2 PHE 62 2HD PHE 62 -4.606 2.349 9.242 518 HE1 PHE 62 1HE PHE 62 -7.123 4.666 12.776 519 HE2 PHE 62 2HE PHE 62 -3.403 3.503 11.051 520 HZ PHE 62 HZ PHE 62 -4.661 4.663 12.822 521 H ASP 63 H ASP 63 -6.859 0.763 11.580 522 HA ASP 63 HA ASP 63 -9.216 -0.505 12.612 523 1HB ASP 63 1HB ASP 63 -6.916 0.900 13.982 524 2HB ASP 63 2HB ASP 63 -8.215 0.076 14.839 525 H GLY 64 H GLY 64 -10.409 1.338 11.289 526 1HA GLY 64 2HA GLY 64 -11.727 2.943 13.224 527 2HA GLY 64 3HA GLY 64 -10.636 3.929 12.261 528 H GLN 65 H GLN 65 -10.990 2.382 9.834 529 HA GLN 65 HA GLN 65 -13.742 2.291 9.136 530 1HB GLN 65 1HB GLN 65 -12.285 4.826 8.775 531 2HB GLN 65 2HB GLN 65 -13.149 4.262 7.351 532 1HG GLN 65 1HG GLN 65 -15.088 3.937 9.135 533 2HG GLN 65 2HG GLN 65 -14.188 5.214 9.953 534 1HE2 GLN 65 1HE2 GLN 65 -16.118 4.372 7.206 535 2HE2 GLN 65 2HE2 GLN 65 -16.360 5.979 6.620 536 HA PRO 66 HA PRO 66 -12.182 -0.027 5.756 537 1HB PRO 66 1HB PRO 66 -13.984 0.500 3.795 538 2HB PRO 66 2HB PRO 66 -14.359 -0.507 5.199 539 1HG PRO 66 1HG PRO 66 -15.006 2.374 4.707 540 2HG PRO 66 2HG PRO 66 -16.029 1.100 5.394 541 1HD PRO 66 1HD PRO 66 -14.761 2.935 6.928 542 2HD PRO 66 2HD PRO 66 -15.064 1.275 7.480 543 H ILE 67 H ILE 67 -11.690 0.153 3.310 544 HA ILE 67 HA ILE 67 -10.771 2.859 2.627 545 HB ILE 67 HB ILE 67 -9.079 0.402 2.187 546 1HG1 ILE 67 1HG1 ILE 67 -9.329 0.862 4.602 547 2HG1 ILE 67 2HG1 ILE 67 -7.687 1.159 4.042 548 1HG2 ILE 67 1HG2 ILE 67 -8.814 3.296 1.589 549 2HG2 ILE 67 2HG2 ILE 67 -7.361 2.416 2.060 550 3HG2 ILE 67 3HG2 ILE 67 -8.292 1.894 0.656 551 1HD1 ILE 67 1HD1 ILE 67 -9.291 2.874 5.511 552 2HD1 ILE 67 2HD1 ILE 67 -7.767 3.266 4.715 553 3HD1 ILE 67 3HD1 ILE 67 -9.295 3.546 3.881 554 H ASN 68 H ASN 68 -11.326 3.450 0.636 555 HA ASN 68 HA ASN 68 -12.455 1.450 -1.160 556 1HB ASN 68 1HB ASN 68 -12.652 4.407 -0.881 557 2HB ASN 68 2HB ASN 68 -12.862 3.732 -2.494 558 1HD2 ASN 68 1HD2 ASN 68 -14.683 5.001 -0.422 559 2HD2 ASN 68 2HD2 ASN 68 -16.027 3.918 -0.336 560 H GLU 69 H GLU 69 -11.690 1.001 -3.194 561 HA GLU 69 HA GLU 69 -8.974 1.046 -3.675 562 1HB GLU 69 1HB GLU 69 -9.539 0.534 -6.034 563 2HB GLU 69 2HB GLU 69 -10.441 -0.445 -4.886 564 1HG GLU 69 1HG GLU 69 -12.331 1.200 -5.150 565 2HG GLU 69 2HG GLU 69 -11.428 1.887 -6.499 566 H THR 70 H THR 70 -11.431 3.379 -4.660 567 HA THR 70 HA THR 70 -9.392 5.039 -5.942 568 HB THR 70 HB THR 70 -11.506 4.684 -7.160 569 HG1 THR 70 1HG THR 70 -11.751 6.845 -7.705 570 1HG2 THR 70 1HG2 THR 70 -13.225 6.450 -5.755 571 2HG2 THR 70 2HG2 THR 70 -12.653 5.236 -4.611 572 3HG2 THR 70 3HG2 THR 70 -13.461 4.737 -6.097 573 H ASP 71 H ASP 71 -9.264 4.758 -3.118 574 HA ASP 71 HA ASP 71 -10.093 7.433 -2.206 575 1HB ASP 71 1HB ASP 71 -10.801 5.148 -1.032 576 2HB ASP 71 2HB ASP 71 -9.230 5.348 -0.260 577 H THR 72 H THR 72 -8.624 8.678 -0.968 578 HA THR 72 HA THR 72 -5.801 7.892 -1.297 579 HB THR 72 HB THR 72 -5.501 10.520 -1.250 580 HG1 THR 72 1HG THR 72 -7.246 11.532 -2.336 581 1HG2 THR 72 1HG2 THR 72 -6.487 9.654 -3.887 582 2HG2 THR 72 2HG2 THR 72 -5.270 8.608 -3.156 583 3HG2 THR 72 3HG2 THR 72 -4.920 10.315 -3.423 584 HA PRO 73 HA PRO 73 -5.153 8.567 2.991 585 1HB PRO 73 1HB PRO 73 -2.672 9.670 3.028 586 2HB PRO 73 2HB PRO 73 -2.961 7.967 2.652 587 1HG PRO 73 1HG PRO 73 -2.483 10.263 0.791 588 2HG PRO 73 2HG PRO 73 -1.822 8.619 0.732 589 1HD PRO 73 1HD PRO 73 -3.896 9.412 -0.818 590 2HD PRO 73 2HD PRO 73 -3.734 7.749 -0.217 591 H ALA 74 H ALA 74 -5.177 11.222 0.817 592 HA ALA 74 HA ALA 74 -4.743 13.326 2.676 593 1HB ALA 74 1HB ALA 74 -5.130 14.758 0.937 594 2HB ALA 74 2HB ALA 74 -4.729 13.292 0.041 595 3HB ALA 74 3HB ALA 74 -6.416 13.760 0.256 596 H GLN 75 H GLN 75 -7.499 11.399 1.819 597 HA GLN 75 HA GLN 75 -9.204 13.098 3.517 598 1HB GLN 75 1HB GLN 75 -11.106 11.900 2.296 599 2HB GLN 75 2HB GLN 75 -10.191 13.094 1.385 600 1HG GLN 75 1HG GLN 75 -9.005 11.418 0.206 601 2HG GLN 75 2HG GLN 75 -9.607 10.151 1.274 602 1HE2 GLN 75 1HE2 GLN 75 -9.964 11.542 -1.680 603 2HE2 GLN 75 2HE2 GLN 75 -11.579 11.045 -2.042 604 H LEU 76 H LEU 76 -7.344 10.635 3.964 605 HA LEU 76 HA LEU 76 -9.319 9.053 5.475 606 1HB LEU 76 1HB LEU 76 -6.748 8.211 4.157 607 2HB LEU 76 2HB LEU 76 -7.606 7.207 5.324 608 HG LEU 76 HG LEU 76 -8.837 8.160 2.745 609 1HD1 LEU 76 1HD1 LEU 76 -8.382 5.894 1.894 610 2HD1 LEU 76 2HD1 LEU 76 -7.411 5.569 3.330 611 3HD1 LEU 76 3HD1 LEU 76 -6.908 6.816 2.189 612 1HD2 LEU 76 1HD2 LEU 76 -9.666 5.709 4.197 613 2HD2 LEU 76 2HD2 LEU 76 -10.625 6.847 3.251 614 3HD2 LEU 76 3HD2 LEU 76 -10.121 7.266 4.888 615 H GLU 77 H GLU 77 -6.607 11.075 5.650 616 HA GLU 77 HA GLU 77 -5.288 11.790 7.360 617 1HB GLU 77 1HB GLU 77 -7.249 10.462 9.224 618 2HB GLU 77 2HB GLU 77 -6.222 11.851 9.548 619 1HG GLU 77 1HG GLU 77 -7.581 12.933 7.595 620 2HG GLU 77 2HG GLU 77 -8.760 11.689 8.004 621 H MET 78 H MET 78 -4.285 9.604 6.216 622 HA MET 78 HA MET 78 -3.382 7.941 8.476 623 1HB MET 78 1HB MET 78 -3.379 7.049 5.599 624 2HB MET 78 2HB MET 78 -3.193 6.063 7.042 625 1HG MET 78 1HG MET 78 -5.658 7.246 7.385 626 2HG MET 78 2HG MET 78 -5.595 6.906 5.657 627 1HE MET 78 1HE MET 78 -7.510 4.817 8.332 628 2HE MET 78 2HE MET 78 -7.691 5.991 7.029 629 3HE MET 78 3HE MET 78 -7.850 4.267 6.691 630 H GLU 79 H GLU 79 -1.822 9.786 8.680 631 HA GLU 79 HA GLU 79 0.563 9.186 7.086 632 1HB GLU 79 1HB GLU 79 0.081 12.036 7.803 633 2HB GLU 79 2HB GLU 79 0.968 11.355 6.447 634 1HG GLU 79 1HG GLU 79 -1.200 10.688 5.438 635 2HG GLU 79 2HG GLU 79 -2.019 11.538 6.748 636 H ASP 80 H ASP 80 2.278 11.030 8.201 637 HA ASP 80 HA ASP 80 3.641 11.371 9.990 638 1HB ASP 80 1HB ASP 80 1.204 12.093 10.872 639 2HB ASP 80 2HB ASP 80 1.531 10.770 11.987 640 H GLU 81 H GLU 81 3.839 8.902 8.917 641 HA GLU 81 HA GLU 81 4.691 6.832 9.325 642 1HB GLU 81 1HB GLU 81 5.553 8.416 11.466 643 2HB GLU 81 2HB GLU 81 4.930 6.949 12.209 644 1HG GLU 81 1HG GLU 81 6.384 5.828 10.289 645 2HG GLU 81 2HG GLU 81 7.275 7.340 10.449 646 H ASP 82 H ASP 82 1.856 7.266 9.393 647 HA ASP 82 HA ASP 82 0.611 5.897 11.521 648 1HB ASP 82 1HB ASP 82 -0.176 7.085 9.014 649 2HB ASP 82 2HB ASP 82 -0.977 5.530 9.226 650 H THR 83 H THR 83 -0.877 3.896 10.791 651 HA THR 83 HA THR 83 0.731 1.932 9.339 652 HB THR 83 HB THR 83 -0.389 1.265 12.059 653 HG1 THR 83 1HG THR 83 1.230 2.645 12.565 654 1HG2 THR 83 1HG2 THR 83 1.850 -0.304 11.252 655 2HG2 THR 83 2HG2 THR 83 0.684 -0.270 9.929 656 3HG2 THR 83 3HG2 THR 83 0.188 -0.819 11.530 657 H ILE 84 H ILE 84 -0.599 1.187 7.828 658 HA ILE 84 HA ILE 84 -3.456 0.916 8.440 659 HB ILE 84 HB ILE 84 -2.160 0.723 5.724 660 1HG1 ILE 84 1HG1 ILE 84 -3.402 3.133 7.068 661 2HG1 ILE 84 2HG1 ILE 84 -1.694 2.926 6.695 662 1HG2 ILE 84 1HG2 ILE 84 -5.012 1.250 6.549 663 2HG2 ILE 84 2HG2 ILE 84 -4.408 1.141 4.896 664 3HG2 ILE 84 3HG2 ILE 84 -4.386 -0.281 5.939 665 1HD1 ILE 84 1HD1 ILE 84 -2.231 2.886 4.311 666 2HD1 ILE 84 2HD1 ILE 84 -3.935 3.123 4.698 667 3HD1 ILE 84 3HD1 ILE 84 -2.760 4.379 5.084 668 H ASP 85 H ASP 85 -4.254 -1.026 8.860 669 HA ASP 85 HA ASP 85 -2.712 -3.387 8.753 670 1HB ASP 85 1HB ASP 85 -4.966 -2.682 10.062 671 2HB ASP 85 2HB ASP 85 -5.662 -3.657 8.770 672 H VAL 86 H VAL 86 -2.266 -4.680 7.103 673 HA VAL 86 HA VAL 86 -3.892 -4.455 4.662 674 HB VAL 86 HB VAL 86 -1.332 -4.018 4.680 675 1HG1 VAL 86 1HG1 VAL 86 0.126 -5.786 4.727 676 2HG1 VAL 86 2HG1 VAL 86 -1.087 -6.346 5.881 677 3HG1 VAL 86 3HG1 VAL 86 -1.098 -6.952 4.224 678 1HG2 VAL 86 1HG2 VAL 86 -2.256 -5.993 2.620 679 2HG2 VAL 86 2HG2 VAL 86 -2.942 -4.370 2.707 680 3HG2 VAL 86 3HG2 VAL 86 -1.216 -4.583 2.416 681 H PHE 87 H PHE 87 -4.734 -6.252 3.668 682 HA PHE 87 HA PHE 87 -4.912 -8.638 5.339 683 1HB PHE 87 1HB PHE 87 -6.945 -7.471 4.326 684 2HB PHE 87 2HB PHE 87 -6.416 -8.121 2.777 685 HD1 PHE 87 1HD PHE 87 -8.452 -8.679 5.559 686 HD2 PHE 87 2HD PHE 87 -5.938 -10.719 2.796 687 HE1 PHE 87 1HE PHE 87 -9.625 -10.786 6.051 688 HE2 PHE 87 2HE PHE 87 -7.107 -12.828 3.283 689 HZ PHE 87 HZ PHE 87 -8.954 -12.863 4.912 690 H GLN 88 H GLN 88 -3.569 -10.267 4.994 691 HA GLN 88 HA GLN 88 -3.042 -11.197 2.308 692 1HB GLN 88 1HB GLN 88 -0.994 -9.814 3.957 693 2HB GLN 88 2HB GLN 88 -0.482 -11.255 3.090 694 1HG GLN 88 1HG GLN 88 -1.582 -10.123 1.043 695 2HG GLN 88 2HG GLN 88 -1.465 -8.652 2.008 696 1HE2 GLN 88 1HE2 GLN 88 0.005 -10.271 -0.352 697 2HE2 GLN 88 2HE2 GLN 88 1.647 -9.803 -0.090 698 H GLN 89 H GLN 89 -3.327 -13.316 2.406 699 HA GLN 89 HA GLN 89 -2.845 -14.708 4.936 700 1HB GLN 89 1HB GLN 89 -5.032 -14.841 3.498 701 2HB GLN 89 2HB GLN 89 -4.109 -15.996 2.546 702 1HG GLN 89 1HG GLN 89 -3.646 -17.061 4.906 703 2HG GLN 89 2HG GLN 89 -5.133 -16.212 5.324 704 1HE2 GLN 89 1HE2 GLN 89 -5.723 -18.544 5.685 705 2HE2 GLN 89 2HE2 GLN 89 -6.421 -19.388 4.348 706 H GLN 90 H GLN 90 -0.473 -14.324 4.283 707 HA GLN 90 HA GLN 90 0.593 -16.032 2.237 708 1HB GLN 90 1HB GLN 90 1.998 -14.548 4.466 709 2HB GLN 90 2HB GLN 90 2.786 -15.317 3.095 710 1HG GLN 90 1HG GLN 90 1.791 -13.774 1.569 711 2HG GLN 90 2HG GLN 90 0.781 -13.091 2.842 712 1HE2 GLN 90 1HE2 GLN 90 1.460 -11.081 3.113 713 2HE2 GLN 90 2HE2 GLN 90 3.099 -10.596 3.365 714 H THR 91 H THR 91 2.737 -17.276 3.201 715 HA THR 91 HA THR 91 1.567 -19.356 4.892 716 HB THR 91 HB THR 91 3.504 -20.730 4.203 717 HG1 THR 91 1HG THR 91 5.109 -19.889 3.056 718 1HG2 THR 91 1HG2 THR 91 2.914 -20.861 1.766 719 2HG2 THR 91 2HG2 THR 91 1.908 -19.432 1.998 720 3HG2 THR 91 3HG2 THR 91 1.534 -20.923 2.862 721 H GLY 92 H GLY 92 2.602 -16.729 5.897 722 1HA GLY 92 2HA GLY 92 4.509 -17.851 7.851 723 2HA GLY 92 3HA GLY 92 4.767 -16.265 7.141 724 H GLY 93 H GLY 93 4.806 -15.910 9.612 725 1HA GLY 93 2HA GLY 93 2.349 -14.584 10.286 726 2HA GLY 93 3HA GLY 93 2.641 -16.006 11.277 727 H VAL 94 H VAL 94 4.231 -13.022 10.175 728 HA VAL 94 HA VAL 94 5.540 -12.871 12.813 729 HB VAL 94 HB VAL 94 7.264 -11.430 11.623 730 1HG1 VAL 94 1HG1 VAL 94 8.625 -13.243 11.319 731 2HG1 VAL 94 2HG1 VAL 94 7.323 -13.993 12.244 732 3HG1 VAL 94 3HG1 VAL 94 7.380 -14.179 10.491 733 1HG2 VAL 94 1HG2 VAL 94 7.393 -11.336 9.332 734 2HG2 VAL 94 2HG2 VAL 94 6.472 -12.823 9.108 735 3HG2 VAL 94 3HG2 VAL 94 5.644 -11.333 9.559 736 H TYR 95 H TYR 95 3.482 -11.783 13.407 737 HA TYR 95 HA TYR 95 3.172 -9.079 12.356 738 1HB TYR 95 1HB TYR 95 1.098 -9.019 13.642 739 2HB TYR 95 2HB TYR 95 1.162 -10.474 12.653 740 HD1 TYR 95 1HD TYR 95 1.432 -12.669 13.682 741 HD2 TYR 95 2HD TYR 95 1.196 -9.146 16.057 742 HE1 TYR 95 1HE TYR 95 1.021 -14.048 15.677 743 HE2 TYR 95 2HE TYR 95 0.785 -10.516 18.058 744 HH TYR 95 HH TYR 95 1.448 -13.178 18.634 Start of MODEL 13 1 1H MET 1 1H MET 1 14.602 -0.566 18.637 2 HA MET 1 HA MET 1 14.959 1.408 17.427 3 1HB MET 1 1HB MET 1 17.542 0.623 18.769 4 2HB MET 1 2HB MET 1 17.300 2.204 18.039 5 1HG MET 1 1HG MET 1 15.471 1.102 20.147 6 2HG MET 1 2HG MET 1 16.923 2.025 20.530 7 1HE MET 1 1HE MET 1 17.498 4.134 19.614 8 2HE MET 1 2HE MET 1 16.408 5.407 19.066 9 3HE MET 1 3HE MET 1 16.498 5.001 20.780 10 H ALA 2 H ALA 2 15.155 -0.791 15.621 11 HA ALA 2 HA ALA 2 17.408 0.022 13.909 12 1HB ALA 2 1HB ALA 2 16.269 -2.551 14.562 13 2HB ALA 2 2HB ALA 2 16.306 -2.286 12.818 14 3HB ALA 2 3HB ALA 2 17.792 -2.163 13.761 15 H ASP 3 H ASP 3 16.934 -0.154 11.520 16 HA ASP 3 HA ASP 3 14.317 0.005 10.509 17 1HB ASP 3 1HB ASP 3 14.201 2.418 9.989 18 2HB ASP 3 2HB ASP 3 14.187 2.113 11.724 19 H GLU 4 H GLU 4 14.311 0.932 8.225 20 HA GLU 4 HA GLU 4 16.941 0.496 6.969 21 1HB GLU 4 1HB GLU 4 14.224 -0.448 6.056 22 2HB GLU 4 2HB GLU 4 15.639 -0.440 5.013 23 1HG GLU 4 1HG GLU 4 16.778 -1.975 6.499 24 2HG GLU 4 2HG GLU 4 15.411 -1.942 7.611 25 H LYS 5 H LYS 5 16.956 1.362 4.652 26 HA LYS 5 HA LYS 5 15.211 3.545 4.036 27 1HB LYS 5 1HB LYS 5 16.664 4.570 5.769 28 2HB LYS 5 2HB LYS 5 18.068 4.207 4.774 29 1HG LYS 5 1HG LYS 5 16.830 5.583 2.962 30 2HG LYS 5 2HG LYS 5 15.900 6.212 4.325 31 1HD LYS 5 1HD LYS 5 18.901 6.194 4.362 32 2HD LYS 5 2HD LYS 5 18.003 7.498 3.581 33 1HE LYS 5 1HE LYS 5 16.946 8.101 5.621 34 2HE LYS 5 2HE LYS 5 17.517 6.640 6.426 35 1HZ LYS 5 1HZ LYS 5 18.791 8.627 7.041 36 2HZ LYS 5 2HZ LYS 5 19.272 8.819 5.431 37 3HZ LYS 5 3HZ LYS 5 19.762 7.454 6.302 38 HA PRO 6 HA PRO 6 17.395 1.497 0.487 39 1HB PRO 6 1HB PRO 6 15.133 1.036 -0.942 40 2HB PRO 6 2HB PRO 6 15.739 -0.083 0.285 41 1HG PRO 6 1HG PRO 6 13.572 1.972 0.500 42 2HG PRO 6 2HG PRO 6 13.601 0.308 1.113 43 1HD PRO 6 1HD PRO 6 14.077 2.452 2.696 44 2HD PRO 6 2HD PRO 6 14.853 0.877 2.962 45 H LYS 7 H LYS 7 18.268 2.846 -0.941 46 HA LYS 7 HA LYS 7 16.890 5.314 -1.642 47 1HB LYS 7 1HB LYS 7 19.431 4.973 -1.007 48 2HB LYS 7 2HB LYS 7 19.584 4.594 -2.718 49 1HG LYS 7 1HG LYS 7 19.946 6.807 -2.882 50 2HG LYS 7 2HG LYS 7 18.182 6.875 -2.888 51 1HD LYS 7 1HD LYS 7 19.809 7.039 -0.361 52 2HD LYS 7 2HD LYS 7 19.365 8.463 -1.305 53 1HE LYS 7 1HE LYS 7 17.593 8.442 0.112 54 2HE LYS 7 2HE LYS 7 16.957 7.340 -1.108 55 1HZ LYS 7 1HZ LYS 7 16.784 5.804 0.456 56 2HZ LYS 7 2HZ LYS 7 17.466 6.836 1.609 57 3HZ LYS 7 3HZ LYS 7 18.461 5.828 0.684 58 H GLU 8 H GLU 8 15.452 3.389 -2.733 59 HA GLU 8 HA GLU 8 16.164 3.502 -5.586 60 1HB GLU 8 1HB GLU 8 16.355 1.199 -4.294 61 2HB GLU 8 2HB GLU 8 14.615 1.173 -4.545 62 1HG GLU 8 1HG GLU 8 16.684 1.448 -6.714 63 2HG GLU 8 2HG GLU 8 15.833 -0.036 -6.290 64 H GLY 9 H GLY 9 14.713 4.670 -6.644 65 1HA GLY 9 2HA GLY 9 12.170 4.335 -7.179 66 2HA GLY 9 3HA GLY 9 12.012 4.940 -5.537 67 H VAL 10 H VAL 10 11.757 5.854 -8.627 68 HA VAL 10 HA VAL 10 12.139 8.659 -7.952 69 HB VAL 10 HB VAL 10 13.470 7.433 -10.372 70 1HG1 VAL 10 1HG1 VAL 10 13.142 10.275 -9.454 71 2HG1 VAL 10 2HG1 VAL 10 14.413 9.785 -10.576 72 3HG1 VAL 10 3HG1 VAL 10 12.718 9.569 -11.013 73 1HG2 VAL 10 1HG2 VAL 10 14.789 6.924 -8.466 74 2HG2 VAL 10 2HG2 VAL 10 15.554 8.304 -9.254 75 3HG2 VAL 10 3HG2 VAL 10 14.580 8.546 -7.804 76 H LYS 11 H LYS 11 10.471 9.805 -8.670 77 HA LYS 11 HA LYS 11 9.211 9.214 -11.203 78 1HB LYS 11 1HB LYS 11 6.924 9.083 -10.139 79 2HB LYS 11 2HB LYS 11 7.951 7.676 -9.899 80 1HG LYS 11 1HG LYS 11 8.040 9.777 -7.817 81 2HG LYS 11 2HG LYS 11 6.570 8.805 -7.929 82 1HD LYS 11 1HD LYS 11 9.267 7.500 -7.891 83 2HD LYS 11 2HD LYS 11 8.493 8.008 -6.388 84 1HE LYS 11 1HE LYS 11 6.649 6.569 -6.744 85 2HE LYS 11 2HE LYS 11 7.111 6.272 -8.419 86 1HZ LYS 11 1HZ LYS 11 8.293 4.542 -7.753 87 2HZ LYS 11 2HZ LYS 11 7.836 4.818 -6.148 88 3HZ LYS 11 3HZ LYS 11 9.244 5.529 -6.760 89 H THR 12 H THR 12 7.244 10.763 -11.481 90 HA THR 12 HA THR 12 7.559 13.270 -10.034 91 HB THR 12 HB THR 12 9.177 13.489 -11.862 92 HG1 THR 12 1HG THR 12 8.193 15.410 -12.800 93 1HG2 THR 12 1HG2 THR 12 8.495 13.455 -14.180 94 2HG2 THR 12 2HG2 THR 12 6.821 13.147 -13.720 95 3HG2 THR 12 3HG2 THR 12 8.055 11.922 -13.430 96 H GLU 13 H GLU 13 5.756 14.600 -10.117 97 HA GLU 13 HA GLU 13 3.487 13.694 -11.740 98 1HB GLU 13 1HB GLU 13 3.370 14.278 -8.776 99 2HB GLU 13 2HB GLU 13 1.975 13.974 -9.802 100 1HG GLU 13 1HG GLU 13 2.222 11.779 -9.639 101 2HG GLU 13 2HG GLU 13 3.936 11.869 -10.041 102 H ASN 14 H ASN 14 1.666 15.331 -11.667 103 HA ASN 14 HA ASN 14 2.727 18.065 -11.408 104 1HB ASN 14 1HB ASN 14 1.344 16.779 -13.732 105 2HB ASN 14 2HB ASN 14 1.109 18.500 -13.438 106 1HD2 ASN 14 1HD2 ASN 14 2.798 19.913 -13.743 107 2HD2 ASN 14 2HD2 ASN 14 4.265 19.459 -14.536 108 H ASN 15 H ASN 15 0.534 15.928 -10.296 109 HA ASN 15 HA ASN 15 -1.564 17.952 -9.897 110 1HB ASN 15 1HB ASN 15 -1.676 14.935 -9.722 111 2HB ASN 15 2HB ASN 15 -3.006 15.995 -9.267 112 1HD2 ASN 15 1HD2 ASN 15 -4.033 14.599 -10.949 113 2HD2 ASN 15 2HD2 ASN 15 -3.957 15.148 -12.585 114 H ASP 16 H ASP 16 -0.712 15.061 -8.027 115 HA ASP 16 HA ASP 16 -0.173 16.777 -5.702 116 1HB ASP 16 1HB ASP 16 -2.313 14.799 -6.029 117 2HB ASP 16 2HB ASP 16 -1.348 14.559 -4.575 118 H HIS 17 H HIS 17 0.635 15.221 -3.825 119 HA HIS 17 HA HIS 17 2.218 12.992 -4.730 120 1HB HIS 17 1HB HIS 17 4.363 14.075 -3.843 121 2HB HIS 17 2HB HIS 17 3.789 14.609 -5.420 122 HD1 HIS 17 1HD HIS 17 2.642 16.994 -5.496 123 HD2 HIS 17 2HD HIS 17 4.531 16.037 -1.921 124 HE1 HIS 17 1HE HIS 17 2.892 19.172 -4.264 125 H ILE 18 H ILE 18 1.731 11.591 -3.174 126 HA ILE 18 HA ILE 18 1.987 12.481 -0.376 127 HB ILE 18 HB ILE 18 0.154 11.166 0.309 128 1HG1 ILE 18 1HG1 ILE 18 0.058 10.037 -2.497 129 2HG1 ILE 18 2HG1 ILE 18 0.634 9.186 -1.068 130 1HG2 ILE 18 1HG2 ILE 18 -1.691 12.145 -0.831 131 2HG2 ILE 18 2HG2 ILE 18 -0.371 13.312 -0.877 132 3HG2 ILE 18 3HG2 ILE 18 -0.749 12.351 -2.307 133 1HD1 ILE 18 1HD1 ILE 18 -1.600 9.316 -0.096 134 2HD1 ILE 18 2HD1 ILE 18 -2.174 10.159 -1.535 135 3HD1 ILE 18 3HD1 ILE 18 -1.611 8.493 -1.655 136 H ASN 19 H ASN 19 2.142 10.458 1.111 137 HA ASN 19 HA ASN 19 4.003 8.539 -0.131 138 1HB ASN 19 1HB ASN 19 4.762 10.375 1.687 139 2HB ASN 19 2HB ASN 19 4.249 9.088 2.775 140 1HD2 ASN 19 1HD2 ASN 19 5.296 7.062 2.656 141 2HD2 ASN 19 2HD2 ASN 19 6.887 6.924 1.998 142 H LEU 20 H LEU 20 3.794 6.399 0.389 143 HA LEU 20 HA LEU 20 1.806 5.629 2.392 144 1HB LEU 20 1HB LEU 20 1.803 4.564 -0.428 145 2HB LEU 20 2HB LEU 20 0.721 4.079 0.875 146 HG LEU 20 HG LEU 20 0.525 6.910 0.463 147 1HD1 LEU 20 1HD1 LEU 20 -0.371 6.932 -1.792 148 2HD1 LEU 20 2HD1 LEU 20 0.025 5.225 -1.986 149 3HD1 LEU 20 3HD1 LEU 20 1.315 6.413 -1.804 150 1HD2 LEU 20 1HD2 LEU 20 -1.076 4.881 1.270 151 2HD2 LEU 20 2HD2 LEU 20 -1.674 5.145 -0.368 152 3HD2 LEU 20 3HD2 LEU 20 -1.657 6.475 0.791 153 H LYS 21 H LYS 21 1.917 3.336 2.959 154 HA LYS 21 HA LYS 21 4.412 1.999 2.209 155 1HB LYS 21 1HB LYS 21 3.529 2.512 5.056 156 2HB LYS 21 2HB LYS 21 4.852 1.449 4.593 157 1HG LYS 21 1HG LYS 21 4.747 4.390 3.966 158 2HG LYS 21 2HG LYS 21 5.572 3.694 5.362 159 1HD LYS 21 1HD LYS 21 6.169 2.890 2.521 160 2HD LYS 21 2HD LYS 21 7.029 4.182 3.362 161 1HE LYS 21 1HE LYS 21 6.826 1.627 4.815 162 2HE LYS 21 2HE LYS 21 7.808 1.593 3.351 163 1HZ LYS 21 1HZ LYS 21 9.231 3.234 4.194 164 2HZ LYS 21 2HZ LYS 21 8.987 2.172 5.487 165 3HZ LYS 21 3HZ LYS 21 8.171 3.653 5.444 166 H VAL 22 H VAL 22 3.862 0.060 1.484 167 HA VAL 22 HA VAL 22 1.415 -1.212 2.449 168 HB VAL 22 HB VAL 22 3.235 -1.929 0.148 169 1HG1 VAL 22 1HG1 VAL 22 1.138 -3.374 -0.423 170 2HG1 VAL 22 2HG1 VAL 22 2.349 -3.984 0.706 171 3HG1 VAL 22 3HG1 VAL 22 0.846 -3.289 1.314 172 1HG2 VAL 22 1HG2 VAL 22 0.698 -0.390 0.401 173 2HG2 VAL 22 2HG2 VAL 22 2.109 -0.081 -0.611 174 3HG2 VAL 22 3HG2 VAL 22 0.968 -1.350 -1.054 175 H ALA 23 H ALA 23 2.141 -1.881 4.505 176 HA ALA 23 HA ALA 23 4.062 -4.118 4.433 177 1HB ALA 23 1HB ALA 23 3.599 -2.130 6.653 178 2HB ALA 23 2HB ALA 23 4.632 -3.555 6.771 179 3HB ALA 23 3HB ALA 23 5.034 -2.266 5.636 180 H GLY 24 H GLY 24 3.268 -6.035 5.002 181 1HA GLY 24 2HA GLY 24 0.566 -6.172 6.090 182 2HA GLY 24 3HA GLY 24 1.497 -7.513 5.438 183 H GLN 25 H GLN 25 -0.016 -7.115 8.007 184 HA GLN 25 HA GLN 25 1.746 -6.916 10.171 185 1HB GLN 25 1HB GLN 25 0.000 -7.784 11.512 186 2HB GLN 25 2HB GLN 25 -0.792 -6.886 10.223 187 1HG GLN 25 1HG GLN 25 -1.226 -8.974 9.033 188 2HG GLN 25 2HG GLN 25 -0.436 -9.873 10.327 189 1HE2 GLN 25 1HE2 GLN 25 -2.791 -7.218 10.258 190 2HE2 GLN 25 2HE2 GLN 25 -3.962 -8.003 11.256 191 H ASP 26 H ASP 26 1.348 -9.395 7.863 192 HA ASP 26 HA ASP 26 2.314 -11.549 9.508 193 1HB ASP 26 1HB ASP 26 0.829 -12.035 7.639 194 2HB ASP 26 2HB ASP 26 1.983 -11.330 6.509 195 H GLY 27 H GLY 27 3.687 -10.323 6.459 196 1HA GLY 27 2HA GLY 27 6.236 -9.752 7.640 197 2HA GLY 27 3HA GLY 27 6.240 -11.275 6.762 198 H SER 28 H SER 28 4.867 -8.032 6.189 199 HA SER 28 HA SER 28 6.364 -7.923 3.668 200 1HB SER 28 1HB SER 28 4.333 -8.535 2.746 201 2HB SER 28 2HB SER 28 3.399 -7.765 4.029 202 HG SER 28 HG SER 28 4.408 -6.703 1.682 203 H VAL 29 H VAL 29 6.814 -5.828 2.903 204 HA VAL 29 HA VAL 29 5.882 -3.463 4.147 205 HB VAL 29 HB VAL 29 7.209 -4.091 6.041 206 1HG1 VAL 29 1HG1 VAL 29 8.991 -5.396 5.836 207 2HG1 VAL 29 2HG1 VAL 29 8.917 -5.236 4.080 208 3HG1 VAL 29 3HG1 VAL 29 9.860 -4.089 5.033 209 1HG2 VAL 29 1HG2 VAL 29 7.270 -1.722 5.309 210 2HG2 VAL 29 2HG2 VAL 29 8.706 -2.211 6.209 211 3HG2 VAL 29 3HG2 VAL 29 8.774 -2.060 4.453 212 H VAL 30 H VAL 30 5.864 -2.187 2.423 213 HA VAL 30 HA VAL 30 8.337 -1.799 0.918 214 HB VAL 30 HB VAL 30 5.722 -2.291 -0.506 215 1HG1 VAL 30 1HG1 VAL 30 7.349 -2.536 -2.459 216 2HG1 VAL 30 2HG1 VAL 30 7.062 -0.908 -1.843 217 3HG1 VAL 30 3HG1 VAL 30 8.538 -1.770 -1.407 218 1HG2 VAL 30 1HG2 VAL 30 6.415 -4.371 0.489 219 2HG2 VAL 30 2HG2 VAL 30 6.750 -4.427 -1.242 220 3HG2 VAL 30 3HG2 VAL 30 8.063 -4.148 -0.097 221 H GLN 31 H GLN 31 8.460 0.200 -0.174 222 HA GLN 31 HA GLN 31 6.428 2.153 0.683 223 1HB GLN 31 1HB GLN 31 8.339 3.826 0.404 224 2HB GLN 31 2HB GLN 31 8.421 2.740 1.784 225 1HG GLN 31 1HG GLN 31 10.027 1.348 0.655 226 2HG GLN 31 2HG GLN 31 9.874 2.309 -0.815 227 1HE2 GLN 31 1HE2 GLN 31 11.098 2.225 2.444 228 2HE2 GLN 31 2HE2 GLN 31 12.174 3.567 2.288 229 H PHE 32 H PHE 32 5.701 3.689 -0.773 230 HA PHE 32 HA PHE 32 6.740 3.696 -3.485 231 1HB PHE 32 1HB PHE 32 4.396 2.201 -2.758 232 2HB PHE 32 2HB PHE 32 3.940 3.525 -3.825 233 HD1 PHE 32 1HD PHE 32 6.033 0.513 -3.511 234 HD2 PHE 32 2HD PHE 32 4.518 3.512 -6.125 235 HE1 PHE 32 1HE PHE 32 6.802 -0.792 -5.450 236 HE2 PHE 32 2HE PHE 32 5.284 2.211 -8.067 237 HZ PHE 32 HZ PHE 32 6.427 0.055 -7.731 238 H LYS 33 H LYS 33 5.851 5.435 -4.791 239 HA LYS 33 HA LYS 33 4.657 7.586 -3.170 240 1HB LYS 33 1HB LYS 33 7.180 7.733 -3.907 241 2HB LYS 33 2HB LYS 33 6.488 8.209 -5.452 242 1HG LYS 33 1HG LYS 33 5.505 9.599 -3.027 243 2HG LYS 33 2HG LYS 33 7.138 9.970 -3.584 244 1HD LYS 33 1HD LYS 33 6.140 10.364 -5.868 245 2HD LYS 33 2HD LYS 33 4.553 10.262 -5.103 246 1HE LYS 33 1HE LYS 33 5.020 12.551 -5.159 247 2HE LYS 33 2HE LYS 33 5.411 12.069 -3.509 248 1HZ LYS 33 1HZ LYS 33 7.684 12.177 -3.939 249 2HZ LYS 33 2HZ LYS 33 7.066 13.541 -4.724 250 3HZ LYS 33 3HZ LYS 33 7.479 12.166 -5.618 251 H ILE 34 H ILE 34 2.967 8.661 -4.038 252 HA ILE 34 HA ILE 34 2.435 8.665 -6.862 253 HB ILE 34 HB ILE 34 1.570 6.410 -5.875 254 1HG1 ILE 34 1HG1 ILE 34 -0.664 7.667 -7.309 255 2HG1 ILE 34 2HG1 ILE 34 0.905 7.933 -8.060 256 1HG2 ILE 34 1HG2 ILE 34 -0.380 6.387 -4.671 257 2HG2 ILE 34 2HG2 ILE 34 0.371 7.851 -4.038 258 3HG2 ILE 34 3HG2 ILE 34 -0.893 7.967 -5.262 259 1HD1 ILE 34 1HD1 ILE 34 -0.363 5.936 -8.874 260 2HD1 ILE 34 2HD1 ILE 34 1.274 5.608 -8.305 261 3HD1 ILE 34 3HD1 ILE 34 -0.109 5.215 -7.285 262 H LYS 35 H LYS 35 0.319 9.783 -7.335 263 HA LYS 35 HA LYS 35 0.210 12.231 -5.950 264 1HB LYS 35 1HB LYS 35 -1.942 11.090 -7.735 265 2HB LYS 35 2HB LYS 35 -1.641 12.787 -7.384 266 1HG LYS 35 1HG LYS 35 0.461 12.697 -8.578 267 2HG LYS 35 2HG LYS 35 0.247 10.968 -8.867 268 1HD LYS 35 1HD LYS 35 -1.500 11.313 -10.371 269 2HD LYS 35 2HD LYS 35 -1.818 12.943 -9.774 270 1HE LYS 35 1HE LYS 35 0.242 13.742 -10.757 271 2HE LYS 35 2HE LYS 35 0.671 12.108 -11.260 272 1HZ LYS 35 1HZ LYS 35 -1.404 13.894 -12.346 273 2HZ LYS 35 2HZ LYS 35 -1.558 12.219 -12.521 274 3HZ LYS 35 3HZ LYS 35 -0.214 13.016 -13.168 275 H ARG 36 H ARG 36 -2.422 12.877 -5.595 276 HA ARG 36 HA ARG 36 -3.087 11.298 -3.215 277 1HB ARG 36 1HB ARG 36 -2.772 13.667 -2.811 278 2HB ARG 36 2HB ARG 36 -3.934 14.070 -4.068 279 1HG ARG 36 1HG ARG 36 -5.732 13.122 -2.771 280 2HG ARG 36 2HG ARG 36 -4.592 12.572 -1.541 281 1HD ARG 36 1HD ARG 36 -5.283 15.412 -2.269 282 2HD ARG 36 2HD ARG 36 -5.625 14.579 -0.753 283 HE ARG 36 HE ARG 36 -2.923 14.469 -0.940 284 1HH1 ARG 36 2HH1 ARG 36 -5.248 17.054 -1.124 285 2HH1 ARG 36 1HH1 ARG 36 -4.166 18.247 -0.483 286 1HH2 ARG 36 2HH2 ARG 36 -1.490 16.030 -0.096 287 2HH2 ARG 36 1HH2 ARG 36 -2.029 17.663 0.100 288 H HIS 37 H HIS 37 -4.114 11.889 -6.402 289 HA HIS 37 HA HIS 37 -6.742 10.690 -5.817 290 1HB HIS 37 1HB HIS 37 -6.830 13.035 -6.688 291 2HB HIS 37 2HB HIS 37 -6.057 12.468 -8.165 292 HD1 HIS 37 1HD HIS 37 -7.945 12.790 -9.786 293 HD2 HIS 37 2HD HIS 37 -9.078 10.631 -6.422 294 HE1 HIS 37 1HE HIS 37 -10.263 11.947 -10.277 295 H THR 38 H THR 38 -4.980 8.822 -5.988 296 HA THR 38 HA THR 38 -5.045 7.857 -8.774 297 HB THR 38 HB THR 38 -2.763 8.320 -7.409 298 HG1 THR 38 1HG THR 38 -3.181 7.514 -9.650 299 1HG2 THR 38 1HG2 THR 38 -3.223 5.370 -7.008 300 2HG2 THR 38 2HG2 THR 38 -3.478 6.557 -5.729 301 3HG2 THR 38 3HG2 THR 38 -1.875 6.352 -6.434 302 HA PRO 39 HA PRO 39 -7.474 4.470 -7.360 303 1HB PRO 39 1HB PRO 39 -6.884 2.664 -9.299 304 2HB PRO 39 2HB PRO 39 -7.929 4.063 -9.575 305 1HG PRO 39 1HG PRO 39 -5.033 3.702 -10.239 306 2HG PRO 39 2HG PRO 39 -6.322 4.427 -11.216 307 1HD PRO 39 1HD PRO 39 -4.537 5.914 -9.826 308 2HD PRO 39 2HD PRO 39 -6.211 6.440 -10.097 309 H LEU 40 H LEU 40 -7.092 3.093 -5.749 310 HA LEU 40 HA LEU 40 -4.616 2.338 -4.810 311 1HB LEU 40 1HB LEU 40 -7.203 0.815 -4.532 312 2HB LEU 40 2HB LEU 40 -5.777 0.614 -3.516 313 HG LEU 40 HG LEU 40 -7.509 3.080 -3.681 314 1HD1 LEU 40 1HD1 LEU 40 -7.172 1.564 -1.173 315 2HD1 LEU 40 2HD1 LEU 40 -8.150 0.799 -2.425 316 3HD1 LEU 40 3HD1 LEU 40 -8.586 2.397 -1.820 317 1HD2 LEU 40 1HD2 LEU 40 -4.916 2.491 -2.326 318 2HD2 LEU 40 2HD2 LEU 40 -6.075 3.572 -1.554 319 3HD2 LEU 40 3HD2 LEU 40 -5.445 3.954 -3.157 320 H SER 41 H SER 41 -6.461 0.969 -7.396 321 HA SER 41 HA SER 41 -5.446 -1.609 -7.538 322 1HB SER 41 1HB SER 41 -6.411 -1.714 -9.615 323 2HB SER 41 2HB SER 41 -7.200 -0.250 -9.031 324 HG SER 41 HG SER 41 -5.821 -0.447 -11.192 325 H LYS 42 H LYS 42 -3.924 1.418 -8.244 326 HA LYS 42 HA LYS 42 -1.913 0.732 -9.996 327 1HB LYS 42 1HB LYS 42 -2.369 2.819 -8.027 328 2HB LYS 42 2HB LYS 42 -0.663 2.408 -8.151 329 1HG LYS 42 1HG LYS 42 -1.922 2.675 -10.751 330 2HG LYS 42 2HG LYS 42 -2.054 4.142 -9.779 331 1HD LYS 42 1HD LYS 42 0.015 4.613 -10.483 332 2HD LYS 42 2HD LYS 42 0.553 3.352 -9.370 333 1HE LYS 42 1HE LYS 42 1.496 3.010 -11.588 334 2HE LYS 42 2HE LYS 42 0.392 1.700 -11.168 335 1HZ LYS 42 1HZ LYS 42 -0.813 3.921 -12.581 336 2HZ LYS 42 2HZ LYS 42 -1.020 2.257 -12.800 337 3HZ LYS 42 3HZ LYS 42 0.318 3.039 -13.478 338 H LEU 43 H LEU 43 -1.419 0.901 -6.466 339 HA LEU 43 HA LEU 43 0.914 -0.758 -6.622 340 1HB LEU 43 1HB LEU 43 0.746 -0.651 -4.093 341 2HB LEU 43 2HB LEU 43 0.980 0.872 -4.948 342 HG LEU 43 HG LEU 43 -1.821 0.169 -4.367 343 1HD1 LEU 43 1HD1 LEU 43 -0.862 1.378 -2.008 344 2HD1 LEU 43 2HD1 LEU 43 0.137 -0.045 -2.304 345 3HD1 LEU 43 3HD1 LEU 43 -1.616 -0.205 -2.194 346 1HD2 LEU 43 1HD2 LEU 43 -0.736 2.335 -5.342 347 2HD2 LEU 43 2HD2 LEU 43 -0.429 2.710 -3.646 348 3HD2 LEU 43 3HD2 LEU 43 -2.082 2.451 -4.207 349 H MET 44 H MET 44 -2.458 -1.213 -5.778 350 HA MET 44 HA MET 44 -2.298 -3.696 -4.514 351 1HB MET 44 1HB MET 44 -4.319 -2.099 -4.852 352 2HB MET 44 2HB MET 44 -4.570 -2.992 -6.346 353 1HG MET 44 1HG MET 44 -4.501 -5.085 -4.856 354 2HG MET 44 2HG MET 44 -4.749 -3.961 -3.523 355 1HE MET 44 1HE MET 44 -8.262 -5.686 -4.091 356 2HE MET 44 2HE MET 44 -6.743 -6.464 -4.534 357 3HE MET 44 3HE MET 44 -6.861 -5.553 -3.028 358 H LYS 45 H LYS 45 -3.342 -3.174 -7.886 359 HA LYS 45 HA LYS 45 -3.213 -5.790 -8.736 360 1HB LYS 45 1HB LYS 45 -2.641 -3.263 -10.292 361 2HB LYS 45 2HB LYS 45 -2.869 -4.842 -11.031 362 1HG LYS 45 1HG LYS 45 -5.136 -4.945 -10.200 363 2HG LYS 45 2HG LYS 45 -4.917 -3.417 -9.345 364 1HD LYS 45 1HD LYS 45 -6.112 -3.003 -11.394 365 2HD LYS 45 2HD LYS 45 -4.492 -2.314 -11.528 366 1HE LYS 45 1HE LYS 45 -3.759 -4.055 -12.936 367 2HE LYS 45 2HE LYS 45 -5.152 -5.063 -12.548 368 1HZ LYS 45 1HZ LYS 45 -5.828 -4.262 -14.537 369 2HZ LYS 45 2HZ LYS 45 -4.935 -2.832 -14.414 370 3HZ LYS 45 3HZ LYS 45 -6.398 -2.989 -13.580 371 H ALA 46 H ALA 46 -0.622 -3.369 -8.732 372 HA ALA 46 HA ALA 46 1.342 -4.901 -10.007 373 1HB ALA 46 1HB ALA 46 1.511 -2.475 -9.600 374 2HB ALA 46 2HB ALA 46 1.766 -2.801 -7.885 375 3HB ALA 46 3HB ALA 46 2.947 -3.354 -9.072 376 H TYR 47 H TYR 47 0.570 -4.568 -6.556 377 HA TYR 47 HA TYR 47 2.609 -6.041 -5.445 378 1HB TYR 47 1HB TYR 47 1.024 -4.887 -4.045 379 2HB TYR 47 2HB TYR 47 -0.297 -5.894 -4.627 380 HD1 TYR 47 1HD TYR 47 -1.040 -6.843 -2.599 381 HD2 TYR 47 2HD TYR 47 3.080 -7.059 -3.637 382 HE1 TYR 47 1HE TYR 47 -0.662 -8.414 -0.745 383 HE2 TYR 47 2HE TYR 47 3.470 -8.631 -1.787 384 HH TYR 47 HH TYR 47 1.565 -9.031 0.718 385 H CYS 48 H CYS 48 -0.549 -7.293 -6.523 386 HA CYS 48 HA CYS 48 -0.180 -9.966 -5.980 387 1HB CYS 48 1HB CYS 48 -1.648 -8.655 -8.271 388 2HB CYS 48 2HB CYS 48 -1.747 -10.376 -7.918 389 HG CYS 48 HG CYS 48 -2.435 -9.182 -5.096 390 H GLU 49 H GLU 49 0.698 -8.235 -8.960 391 HA GLU 49 HA GLU 49 1.679 -10.332 -10.451 392 1HB GLU 49 1HB GLU 49 1.442 -7.918 -11.159 393 2HB GLU 49 2HB GLU 49 2.965 -7.604 -10.339 394 1HG GLU 49 1HG GLU 49 3.498 -7.879 -12.607 395 2HG GLU 49 2HG GLU 49 3.987 -9.375 -11.812 396 H ARG 50 H ARG 50 3.162 -8.678 -7.750 397 HA ARG 50 HA ARG 50 5.712 -10.004 -8.131 398 1HB ARG 50 1HB ARG 50 5.339 -7.630 -7.191 399 2HB ARG 50 2HB ARG 50 4.905 -8.441 -5.693 400 1HG ARG 50 1HG ARG 50 7.466 -9.193 -6.988 401 2HG ARG 50 2HG ARG 50 7.366 -7.628 -6.178 402 1HD ARG 50 1HD ARG 50 6.584 -8.763 -4.137 403 2HD ARG 50 2HD ARG 50 6.756 -10.316 -4.954 404 HE ARG 50 HE ARG 50 8.861 -8.688 -3.853 405 1HH1 ARG 50 2HH1 ARG 50 8.052 -11.202 -6.121 406 2HH1 ARG 50 1HH1 ARG 50 9.652 -11.865 -6.155 407 1HH2 ARG 50 2HH2 ARG 50 10.972 -9.552 -3.890 408 2HH2 ARG 50 1HH2 ARG 50 11.312 -10.927 -4.885 409 H GLN 51 H GLN 51 3.563 -9.784 -5.293 410 HA GLN 51 HA GLN 51 4.223 -12.594 -4.705 411 1HB GLN 51 1HB GLN 51 3.873 -10.201 -2.963 412 2HB GLN 51 2HB GLN 51 3.381 -11.764 -2.326 413 1HG GLN 51 1HG GLN 51 5.771 -12.476 -3.180 414 2HG GLN 51 2HG GLN 51 6.088 -10.751 -2.997 415 1HE2 GLN 51 1HE2 GLN 51 7.610 -11.418 -1.365 416 2HE2 GLN 51 2HE2 GLN 51 7.055 -11.755 0.236 417 H GLY 52 H GLY 52 2.363 -12.819 -6.345 418 1HA GLY 52 2HA GLY 52 -0.283 -12.299 -5.303 419 2HA GLY 52 3HA GLY 52 0.105 -13.109 -6.813 420 H LEU 53 H LEU 53 0.252 -13.608 -3.293 421 HA LEU 53 HA LEU 53 -0.180 -16.478 -3.760 422 1HB LEU 53 1HB LEU 53 0.441 -16.530 -1.231 423 2HB LEU 53 2HB LEU 53 1.699 -16.370 -2.455 424 HG LEU 53 HG LEU 53 1.780 -13.947 -2.027 425 1HD1 LEU 53 1HD1 LEU 53 0.614 -13.495 0.362 426 2HD1 LEU 53 2HD1 LEU 53 -0.548 -14.610 -0.355 427 3HD1 LEU 53 3HD1 LEU 53 -0.134 -13.113 -1.189 428 1HD2 LEU 53 1HD2 LEU 53 2.162 -14.788 0.697 429 2HD2 LEU 53 2HD2 LEU 53 3.362 -14.371 -0.527 430 3HD2 LEU 53 3HD2 LEU 53 2.747 -16.021 -0.421 431 H SER 54 H SER 54 -2.152 -14.138 -3.634 432 HA SER 54 HA SER 54 -4.184 -15.568 -2.189 433 1HB SER 54 1HB SER 54 -3.016 -13.030 -1.107 434 2HB SER 54 2HB SER 54 -4.735 -13.352 -0.885 435 HG SER 54 HG SER 54 -2.830 -14.229 0.614 436 H MET 55 H MET 55 -5.771 -15.537 -3.629 437 HA MET 55 HA MET 55 -6.108 -13.239 -5.390 438 1HB MET 55 1HB MET 55 -7.726 -15.781 -5.414 439 2HB MET 55 2HB MET 55 -7.507 -14.625 -6.721 440 1HG MET 55 1HG MET 55 -5.108 -15.255 -6.798 441 2HG MET 55 2HG MET 55 -5.443 -16.503 -5.600 442 1HE MET 55 1HE MET 55 -7.156 -19.272 -7.394 443 2HE MET 55 2HE MET 55 -5.610 -19.010 -6.586 444 3HE MET 55 3HE MET 55 -7.093 -18.362 -5.884 445 H ARG 56 H ARG 56 -7.634 -14.786 -2.675 446 HA ARG 56 HA ARG 56 -9.720 -12.708 -2.722 447 1HB ARG 56 1HB ARG 56 -10.036 -15.583 -1.840 448 2HB ARG 56 2HB ARG 56 -11.264 -14.335 -1.681 449 1HG ARG 56 1HG ARG 56 -11.612 -14.218 -3.989 450 2HG ARG 56 2HG ARG 56 -10.101 -15.057 -4.346 451 1HD ARG 56 1HD ARG 56 -12.164 -16.474 -2.738 452 2HD ARG 56 2HD ARG 56 -12.437 -16.287 -4.470 453 HE ARG 56 HE ARG 56 -9.872 -17.248 -4.223 454 1HH1 ARG 56 2HH1 ARG 56 -13.061 -18.302 -3.306 455 2HH1 ARG 56 1HH1 ARG 56 -12.679 -19.988 -3.423 456 1HH2 ARG 56 2HH2 ARG 56 -9.357 -19.465 -4.380 457 2HH2 ARG 56 1HH2 ARG 56 -10.572 -20.648 -4.033 458 H GLN 57 H GLN 57 -7.048 -13.003 -1.359 459 HA GLN 57 HA GLN 57 -8.022 -12.461 1.358 460 1HB GLN 57 1HB GLN 57 -6.848 -14.777 0.940 461 2HB GLN 57 2HB GLN 57 -5.379 -13.811 0.984 462 1HG GLN 57 1HG GLN 57 -5.472 -14.293 3.176 463 2HG GLN 57 2HG GLN 57 -6.563 -12.908 3.207 464 1HE2 GLN 57 1HE2 GLN 57 -6.195 -16.180 3.891 465 2HE2 GLN 57 2HE2 GLN 57 -7.842 -16.551 4.253 466 H ILE 58 H ILE 58 -7.326 -10.681 -0.827 467 HA ILE 58 HA ILE 58 -5.087 -9.263 0.456 468 HB ILE 58 HB ILE 58 -5.663 -9.401 -2.505 469 1HG1 ILE 58 1HG1 ILE 58 -4.562 -11.411 -1.674 470 2HG1 ILE 58 2HG1 ILE 58 -3.431 -10.458 -2.627 471 1HG2 ILE 58 1HG2 ILE 58 -4.881 -7.251 -2.257 472 2HG2 ILE 58 2HG2 ILE 58 -3.871 -7.664 -0.873 473 3HG2 ILE 58 3HG2 ILE 58 -3.377 -8.139 -2.498 474 1HD1 ILE 58 1HD1 ILE 58 -2.064 -10.854 -0.897 475 2HD1 ILE 58 2HD1 ILE 58 -2.921 -9.497 -0.164 476 3HD1 ILE 58 3HD1 ILE 58 -3.392 -11.152 0.224 477 H ARG 59 H ARG 59 -5.793 -7.448 1.345 478 HA ARG 59 HA ARG 59 -7.425 -5.606 -0.157 479 1HB ARG 59 1HB ARG 59 -9.133 -5.417 1.684 480 2HB ARG 59 2HB ARG 59 -9.220 -6.895 0.735 481 1HG ARG 59 1HG ARG 59 -7.859 -7.993 2.561 482 2HG ARG 59 2HG ARG 59 -8.157 -6.542 3.520 483 1HD ARG 59 1HD ARG 59 -10.663 -7.093 2.709 484 2HD ARG 59 2HD ARG 59 -9.990 -8.722 2.746 485 HE ARG 59 HE ARG 59 -10.094 -8.631 5.016 486 1HH1 ARG 59 2HH1 ARG 59 -9.996 -5.373 3.792 487 2HH1 ARG 59 1HH1 ARG 59 -10.181 -4.642 5.352 488 1HH2 ARG 59 2HH2 ARG 59 -10.338 -7.680 7.075 489 2HH2 ARG 59 1HH2 ARG 59 -10.375 -5.956 7.219 490 H PHE 60 H PHE 60 -6.739 -3.613 0.260 491 HA PHE 60 HA PHE 60 -4.827 -3.151 2.352 492 1HB PHE 60 1HB PHE 60 -5.969 -1.537 0.109 493 2HB PHE 60 2HB PHE 60 -5.151 -0.699 1.424 494 HD1 PHE 60 1HD PHE 60 -4.753 -2.472 -1.630 495 HD2 PHE 60 2HD PHE 60 -2.773 -1.448 1.996 496 HE1 PHE 60 1HE PHE 60 -2.582 -2.951 -2.685 497 HE2 PHE 60 2HE PHE 60 -0.599 -1.924 0.947 498 HZ PHE 60 HZ PHE 60 -0.501 -2.676 -1.396 499 H ARG 61 H ARG 61 -5.240 -2.505 4.354 500 HA ARG 61 HA ARG 61 -7.494 -0.761 4.912 501 1HB ARG 61 1HB ARG 61 -8.413 -2.192 6.661 502 2HB ARG 61 2HB ARG 61 -8.458 -3.013 5.106 503 1HG ARG 61 1HG ARG 61 -6.944 -4.583 5.731 504 2HG ARG 61 2HG ARG 61 -6.091 -3.487 6.820 505 1HD ARG 61 1HD ARG 61 -8.198 -3.606 8.275 506 2HD ARG 61 2HD ARG 61 -8.638 -5.002 7.294 507 HE ARG 61 HE ARG 61 -6.070 -5.483 8.145 508 1HH1 ARG 61 2HH1 ARG 61 -9.150 -4.883 9.653 509 2HH1 ARG 61 1HH1 ARG 61 -8.790 -5.823 11.063 510 1HH2 ARG 61 2HH2 ARG 61 -5.584 -6.723 9.997 511 2HH2 ARG 61 1HH2 ARG 61 -6.761 -6.868 11.258 512 H PHE 62 H PHE 62 -7.499 -0.115 7.275 513 HA PHE 62 HA PHE 62 -4.775 -0.143 8.385 514 1HB PHE 62 1HB PHE 62 -5.308 2.261 9.144 515 2HB PHE 62 2HB PHE 62 -4.881 2.009 7.455 516 HD1 PHE 62 1HD PHE 62 -6.609 2.101 5.712 517 HD2 PHE 62 2HD PHE 62 -7.476 3.007 9.780 518 HE1 PHE 62 1HE PHE 62 -8.703 3.193 5.019 519 HE2 PHE 62 2HE PHE 62 -9.571 4.100 9.093 520 HZ PHE 62 HZ PHE 62 -10.187 4.193 6.711 521 H ASP 63 H ASP 63 -4.950 0.991 10.703 522 HA ASP 63 HA ASP 63 -6.598 -0.765 12.249 523 1HB ASP 63 1HB ASP 63 -4.681 1.452 12.935 524 2HB ASP 63 2HB ASP 63 -5.662 0.676 14.176 525 H GLY 64 H GLY 64 -8.546 0.227 11.002 526 1HA GLY 64 2HA GLY 64 -10.067 1.706 12.890 527 2HA GLY 64 3HA GLY 64 -9.573 2.743 11.561 528 H GLN 65 H GLN 65 -9.703 0.806 9.492 529 HA GLN 65 HA GLN 65 -12.096 -0.615 9.359 530 1HB GLN 65 1HB GLN 65 -13.311 1.033 7.787 531 2HB GLN 65 2HB GLN 65 -13.408 1.307 9.521 532 1HG GLN 65 1HG GLN 65 -11.601 2.969 9.332 533 2HG GLN 65 2HG GLN 65 -11.598 2.730 7.585 534 1HE2 GLN 65 1HE2 GLN 65 -13.013 4.350 10.205 535 2HE2 GLN 65 2HE2 GLN 65 -14.257 5.175 9.336 536 HA PRO 66 HA PRO 66 -10.287 -1.941 5.589 537 1HB PRO 66 1HB PRO 66 -12.465 -2.713 4.164 538 2HB PRO 66 2HB PRO 66 -11.853 -3.622 5.552 539 1HG PRO 66 1HG PRO 66 -14.127 -1.679 5.412 540 2HG PRO 66 2HG PRO 66 -14.039 -3.240 6.248 541 1HD PRO 66 1HD PRO 66 -13.733 -0.879 7.537 542 2HD PRO 66 2HD PRO 66 -12.892 -2.358 8.042 543 H ILE 67 H ILE 67 -10.502 -1.709 3.135 544 HA ILE 67 HA ILE 67 -11.582 0.910 2.372 545 HB ILE 67 HB ILE 67 -8.835 0.003 1.524 546 1HG1 ILE 67 1HG1 ILE 67 -9.565 2.019 3.661 547 2HG1 ILE 67 2HG1 ILE 67 -8.888 0.422 3.959 548 1HG2 ILE 67 1HG2 ILE 67 -9.840 1.509 -0.040 549 2HG2 ILE 67 2HG2 ILE 67 -10.337 2.600 1.253 550 3HG2 ILE 67 3HG2 ILE 67 -8.626 2.402 0.875 551 1HD1 ILE 67 1HD1 ILE 67 -6.884 1.350 3.880 552 2HD1 ILE 67 2HD1 ILE 67 -7.143 1.639 2.159 553 3HD1 ILE 67 3HD1 ILE 67 -7.559 2.885 3.335 554 H ASN 68 H ASN 68 -12.041 1.153 0.144 555 HA ASN 68 HA ASN 68 -12.281 -1.410 -1.283 556 1HB ASN 68 1HB ASN 68 -13.893 1.053 -1.913 557 2HB ASN 68 2HB ASN 68 -14.255 -0.626 -2.301 558 1HD2 ASN 68 1HD2 ASN 68 -15.873 1.371 -0.929 559 2HD2 ASN 68 2HD2 ASN 68 -16.258 0.697 0.614 560 H GLU 69 H GLU 69 -11.625 -1.585 -3.399 561 HA GLU 69 HA GLU 69 -9.444 -0.144 -4.274 562 1HB GLU 69 1HB GLU 69 -9.916 -1.099 -6.522 563 2HB GLU 69 2HB GLU 69 -9.967 -2.291 -5.231 564 1HG GLU 69 1HG GLU 69 -12.486 -1.923 -5.215 565 2HG GLU 69 2HG GLU 69 -12.253 -1.087 -6.749 566 H THR 70 H THR 70 -12.858 0.343 -5.082 567 HA THR 70 HA THR 70 -12.544 2.368 -6.979 568 HB THR 70 HB THR 70 -14.869 2.594 -5.152 569 HG1 THR 70 1HG THR 70 -15.218 0.510 -5.193 570 1HG2 THR 70 1HG2 THR 70 -14.875 3.872 -7.180 571 2HG2 THR 70 2HG2 THR 70 -16.058 2.576 -7.357 572 3HG2 THR 70 3HG2 THR 70 -14.483 2.446 -8.140 573 H ASP 71 H ASP 71 -12.881 2.567 -3.455 574 HA ASP 71 HA ASP 71 -12.981 5.355 -3.235 575 1HB ASP 71 1HB ASP 71 -11.832 3.349 -1.282 576 2HB ASP 71 2HB ASP 71 -12.263 5.014 -0.901 577 H THR 72 H THR 72 -11.447 6.933 -3.030 578 HA THR 72 HA THR 72 -8.723 6.167 -3.822 579 HB THR 72 HB THR 72 -8.697 8.854 -4.068 580 HG1 THR 72 1HG THR 72 -10.781 9.383 -5.034 581 1HG2 THR 72 1HG2 THR 72 -9.993 7.549 -6.361 582 2HG2 THR 72 2HG2 THR 72 -8.559 6.721 -5.754 583 3HG2 THR 72 3HG2 THR 72 -8.455 8.406 -6.264 584 HA PRO 73 HA PRO 73 -6.934 7.396 -0.008 585 1HB PRO 73 1HB PRO 73 -4.633 8.590 -0.812 586 2HB PRO 73 2HB PRO 73 -4.891 6.844 -0.902 587 1HG PRO 73 1HG PRO 73 -5.130 8.908 -3.057 588 2HG PRO 73 2HG PRO 73 -4.395 7.296 -3.128 589 1HD PRO 73 1HD PRO 73 -6.876 7.810 -4.085 590 2HD PRO 73 2HD PRO 73 -6.429 6.242 -3.382 591 H ALA 74 H ALA 74 -7.918 9.715 -2.286 592 HA ALA 74 HA ALA 74 -7.064 12.080 -0.954 593 1HB ALA 74 1HB ALA 74 -8.329 13.263 -2.523 594 2HB ALA 74 2HB ALA 74 -7.810 11.816 -3.388 595 3HB ALA 74 3HB ALA 74 -9.455 11.926 -2.760 596 H GLN 75 H GLN 75 -10.096 10.236 -0.965 597 HA GLN 75 HA GLN 75 -11.127 11.948 1.178 598 1HB GLN 75 1HB GLN 75 -12.442 11.248 -0.973 599 2HB GLN 75 2HB GLN 75 -12.704 9.744 -0.100 600 1HG GLN 75 1HG GLN 75 -14.577 10.930 0.466 601 2HG GLN 75 2HG GLN 75 -13.506 11.311 1.813 602 1HE2 GLN 75 1HE2 GLN 75 -14.637 12.495 -1.311 603 2HE2 GLN 75 2HE2 GLN 75 -14.471 14.174 -0.937 604 H LEU 76 H LEU 76 -9.042 9.743 1.372 605 HA LEU 76 HA LEU 76 -10.403 8.125 3.425 606 1HB LEU 76 1HB LEU 76 -8.373 7.463 1.376 607 2HB LEU 76 2HB LEU 76 -8.192 6.694 2.951 608 HG LEU 76 HG LEU 76 -10.765 6.547 1.407 609 1HD1 LEU 76 1HD1 LEU 76 -8.618 4.451 1.311 610 2HD1 LEU 76 2HD1 LEU 76 -8.759 5.710 0.085 611 3HD1 LEU 76 3HD1 LEU 76 -10.084 4.573 0.338 612 1HD2 LEU 76 1HD2 LEU 76 -10.987 5.930 3.695 613 2HD2 LEU 76 2HD2 LEU 76 -9.521 4.950 3.637 614 3HD2 LEU 76 3HD2 LEU 76 -10.959 4.439 2.752 615 H GLU 77 H GLU 77 -7.871 10.339 2.739 616 HA GLU 77 HA GLU 77 -6.344 11.398 4.050 617 1HB GLU 77 1HB GLU 77 -7.790 10.187 6.407 618 2HB GLU 77 2HB GLU 77 -6.798 11.638 6.392 619 1HG GLU 77 1HG GLU 77 -8.612 12.379 4.594 620 2HG GLU 77 2HG GLU 77 -9.592 11.237 5.512 621 H MET 78 H MET 78 -5.397 9.142 2.978 622 HA MET 78 HA MET 78 -3.941 7.813 5.168 623 1HB MET 78 1HB MET 78 -3.601 5.935 3.576 624 2HB MET 78 2HB MET 78 -5.293 6.222 3.958 625 1HG MET 78 1HG MET 78 -5.389 7.583 1.819 626 2HG MET 78 2HG MET 78 -3.818 6.883 1.433 627 1HE MET 78 1HE MET 78 -3.613 4.844 0.018 628 2HE MET 78 2HE MET 78 -3.488 4.125 1.624 629 3HE MET 78 3HE MET 78 -4.484 3.355 0.388 630 H GLU 79 H GLU 79 -2.901 10.169 4.557 631 HA GLU 79 HA GLU 79 -0.633 9.564 2.776 632 1HB GLU 79 1HB GLU 79 -1.404 12.376 3.442 633 2HB GLU 79 2HB GLU 79 -0.572 11.755 2.023 634 1HG GLU 79 1HG GLU 79 -2.664 10.763 1.235 635 2HG GLU 79 2HG GLU 79 -3.495 11.405 2.650 636 H ASP 80 H ASP 80 1.016 11.661 3.460 637 HA ASP 80 HA ASP 80 2.622 12.281 4.946 638 1HB ASP 80 1HB ASP 80 0.334 12.812 6.226 639 2HB ASP 80 2HB ASP 80 0.961 11.572 7.310 640 H GLU 81 H GLU 81 2.927 9.780 3.969 641 HA GLU 81 HA GLU 81 4.104 7.862 4.305 642 1HB GLU 81 1HB GLU 81 4.651 8.802 7.115 643 2HB GLU 81 2HB GLU 81 5.624 7.725 6.124 644 1HG GLU 81 1HG GLU 81 6.086 9.619 4.600 645 2HG GLU 81 2HG GLU 81 5.213 10.676 5.708 646 H ASP 82 H ASP 82 1.338 7.819 4.721 647 HA ASP 82 HA ASP 82 0.679 6.445 7.139 648 1HB ASP 82 1HB ASP 82 -0.797 7.782 5.318 649 2HB ASP 82 2HB ASP 82 -1.085 6.130 4.780 650 H THR 83 H THR 83 0.692 4.325 7.580 651 HA THR 83 HA THR 83 1.594 2.506 5.457 652 HB THR 83 HB THR 83 1.630 2.034 8.443 653 HG1 THR 83 1HG THR 83 4.016 2.327 7.918 654 1HG2 THR 83 1HG2 THR 83 3.557 0.550 6.918 655 2HG2 THR 83 2HG2 THR 83 1.942 0.277 6.266 656 3HG2 THR 83 3HG2 THR 83 2.272 -0.046 7.967 657 H ILE 84 H ILE 84 0.002 1.422 4.505 658 HA ILE 84 HA ILE 84 -2.456 0.836 5.942 659 HB ILE 84 HB ILE 84 -1.825 0.047 3.106 660 1HG1 ILE 84 1HG1 ILE 84 -1.397 2.437 3.293 661 2HG1 ILE 84 2HG1 ILE 84 -2.901 2.169 2.417 662 1HG2 ILE 84 1HG2 ILE 84 -4.380 0.471 2.999 663 2HG2 ILE 84 2HG2 ILE 84 -3.782 -1.015 3.736 664 3HG2 ILE 84 3HG2 ILE 84 -4.304 0.326 4.755 665 1HD1 ILE 84 1HD1 ILE 84 -4.165 2.681 4.440 666 2HD1 ILE 84 2HD1 ILE 84 -2.656 2.957 5.310 667 3HD1 ILE 84 3HD1 ILE 84 -3.109 4.014 3.973 668 H ASP 85 H ASP 85 -2.394 -0.886 7.238 669 HA ASP 85 HA ASP 85 -0.675 -3.115 6.837 670 1HB ASP 85 1HB ASP 85 -2.950 -2.533 8.712 671 2HB ASP 85 2HB ASP 85 -2.226 -4.137 8.651 672 H VAL 86 H VAL 86 -0.940 -4.798 5.538 673 HA VAL 86 HA VAL 86 -3.416 -5.159 4.099 674 HB VAL 86 HB VAL 86 -1.013 -5.466 3.184 675 1HG1 VAL 86 1HG1 VAL 86 -1.267 -8.333 3.813 676 2HG1 VAL 86 2HG1 VAL 86 0.173 -7.322 3.672 677 3HG1 VAL 86 3HG1 VAL 86 -0.784 -7.294 5.154 678 1HG2 VAL 86 1HG2 VAL 86 -2.512 -7.813 2.307 679 2HG2 VAL 86 2HG2 VAL 86 -3.481 -6.340 2.366 680 3HG2 VAL 86 3HG2 VAL 86 -2.006 -6.387 1.401 681 H PHE 87 H PHE 87 -4.613 -7.126 4.018 682 HA PHE 87 HA PHE 87 -4.411 -8.716 6.491 683 1HB PHE 87 1HB PHE 87 -6.469 -7.177 6.069 684 2HB PHE 87 2HB PHE 87 -6.961 -8.429 4.933 685 HD1 PHE 87 1HD PHE 87 -8.667 -9.672 5.826 686 HD2 PHE 87 2HD PHE 87 -5.419 -8.533 8.329 687 HE1 PHE 87 1HE PHE 87 -9.643 -10.967 7.676 688 HE2 PHE 87 2HE PHE 87 -6.389 -9.827 10.183 689 HZ PHE 87 HZ PHE 87 -8.503 -11.047 9.858 690 H GLN 88 H GLN 88 -3.519 -10.617 6.018 691 HA GLN 88 HA GLN 88 -4.771 -12.326 4.059 692 1HB GLN 88 1HB GLN 88 -2.648 -12.828 2.873 693 2HB GLN 88 2HB GLN 88 -3.212 -11.183 2.614 694 1HG GLN 88 1HG GLN 88 -1.027 -10.750 3.005 695 2HG GLN 88 2HG GLN 88 -1.613 -10.705 4.667 696 1HE2 GLN 88 1HE2 GLN 88 0.964 -11.109 4.435 697 2HE2 GLN 88 2HE2 GLN 88 1.396 -12.758 4.714 698 H GLN 89 H GLN 89 -3.733 -14.535 4.064 699 HA GLN 89 HA GLN 89 -1.970 -15.337 6.101 700 1HB GLN 89 1HB GLN 89 -3.787 -14.721 7.608 701 2HB GLN 89 2HB GLN 89 -4.903 -15.742 6.712 702 1HG GLN 89 1HG GLN 89 -4.337 -16.979 8.608 703 2HG GLN 89 2HG GLN 89 -3.376 -17.677 7.306 704 1HE2 GLN 89 1HE2 GLN 89 -1.733 -18.470 8.520 705 2HE2 GLN 89 2HE2 GLN 89 -0.641 -17.485 9.426 706 H GLN 90 H GLN 90 -1.046 -16.912 4.967 707 HA GLN 90 HA GLN 90 -2.782 -18.995 3.822 708 1HB GLN 90 1HB GLN 90 -0.545 -17.485 2.565 709 2HB GLN 90 2HB GLN 90 -0.708 -19.189 2.163 710 1HG GLN 90 1HG GLN 90 -1.838 -17.775 0.540 711 2HG GLN 90 2HG GLN 90 -2.978 -18.814 1.395 712 1HE2 GLN 90 1HE2 GLN 90 -4.812 -17.710 1.463 713 2HE2 GLN 90 2HE2 GLN 90 -4.990 -16.089 2.033 714 H THR 91 H THR 91 0.740 -18.601 4.097 715 HA THR 91 HA THR 91 0.914 -21.273 5.251 716 HB THR 91 HB THR 91 3.436 -20.799 5.050 717 HG1 THR 91 1HG THR 91 3.980 -18.913 4.274 718 1HG2 THR 91 1HG2 THR 91 2.281 -22.290 3.528 719 2HG2 THR 91 2HG2 THR 91 3.413 -21.286 2.621 720 3HG2 THR 91 3HG2 THR 91 1.688 -20.920 2.590 721 H GLY 92 H GLY 92 2.802 -18.333 5.939 722 1HA GLY 92 2HA GLY 92 1.949 -18.233 8.680 723 2HA GLY 92 3HA GLY 92 3.558 -18.916 8.500 724 H GLY 93 H GLY 93 3.761 -16.861 9.956 725 1HA GLY 93 2HA GLY 93 4.869 -14.791 8.216 726 2HA GLY 93 3HA GLY 93 3.627 -14.290 9.355 727 H VAL 94 H VAL 94 6.478 -13.538 9.151 728 HA VAL 94 HA VAL 94 7.257 -14.272 11.895 729 HB VAL 94 HB VAL 94 9.215 -13.839 9.639 730 1HG1 VAL 94 1HG1 VAL 94 10.586 -13.520 11.380 731 2HG1 VAL 94 2HG1 VAL 94 9.430 -14.188 12.534 732 3HG1 VAL 94 3HG1 VAL 94 10.471 -15.266 11.603 733 1HG2 VAL 94 1HG2 VAL 94 9.571 -16.397 10.127 734 2HG2 VAL 94 2HG2 VAL 94 7.889 -16.311 10.648 735 3HG2 VAL 94 3HG2 VAL 94 8.326 -15.857 9.001 736 H TYR 95 H TYR 95 5.916 -12.156 12.017 737 HA TYR 95 HA TYR 95 7.327 -9.754 11.271 738 1HB TYR 95 1HB TYR 95 4.937 -9.654 11.204 739 2HB TYR 95 2HB TYR 95 4.804 -10.245 12.856 740 HD1 TYR 95 1HD TYR 95 5.947 -7.360 10.821 741 HD2 TYR 95 2HD TYR 95 4.789 -8.749 14.672 742 HE1 TYR 95 1HE TYR 95 5.910 -5.041 11.640 743 HE2 TYR 95 2HE TYR 95 4.747 -6.434 15.501 744 HH TYR 95 HH TYR 95 4.866 -4.273 14.935 Start of MODEL 14 1 1H MET 1 1H MET 1 29.439 20.241 -22.583 2 HA MET 1 HA MET 1 26.692 20.918 -21.826 3 1HB MET 1 1HB MET 1 25.892 19.797 -23.937 4 2HB MET 1 2HB MET 1 26.671 21.357 -24.167 5 1HG MET 1 1HG MET 1 28.764 20.167 -24.754 6 2HG MET 1 2HG MET 1 27.878 18.647 -24.654 7 1HE MET 1 1HE MET 1 29.523 20.078 -27.307 8 2HE MET 1 2HE MET 1 29.037 18.397 -27.084 9 3HE MET 1 3HE MET 1 28.508 19.286 -28.513 10 H ALA 2 H ALA 2 25.271 18.909 -21.913 11 HA ALA 2 HA ALA 2 24.805 16.860 -21.034 12 1HB ALA 2 1HB ALA 2 25.667 16.026 -23.094 13 2HB ALA 2 2HB ALA 2 27.331 16.214 -22.541 14 3HB ALA 2 3HB ALA 2 26.289 14.998 -21.803 15 H ASP 3 H ASP 3 25.977 18.576 -19.219 16 HA ASP 3 HA ASP 3 27.758 16.804 -17.680 17 1HB ASP 3 1HB ASP 3 28.512 19.192 -18.466 18 2HB ASP 3 2HB ASP 3 27.529 19.736 -17.110 19 H GLU 4 H GLU 4 24.807 16.799 -17.782 20 HA GLU 4 HA GLU 4 24.230 17.524 -14.986 21 1HB GLU 4 1HB GLU 4 22.540 17.509 -17.455 22 2HB GLU 4 2HB GLU 4 21.777 17.253 -15.892 23 1HG GLU 4 1HG GLU 4 23.596 19.582 -16.280 24 2HG GLU 4 2HG GLU 4 21.946 19.643 -16.898 25 H LYS 5 H LYS 5 23.187 16.049 -13.654 26 HA LYS 5 HA LYS 5 23.080 13.286 -14.676 27 1HB LYS 5 1HB LYS 5 24.056 14.374 -12.052 28 2HB LYS 5 2HB LYS 5 23.489 12.713 -12.177 29 1HG LYS 5 1HG LYS 5 25.771 12.511 -12.476 30 2HG LYS 5 2HG LYS 5 25.158 12.524 -14.131 31 1HD LYS 5 1HD LYS 5 25.883 14.710 -14.509 32 2HD LYS 5 2HD LYS 5 26.020 15.061 -12.785 33 1HE LYS 5 1HE LYS 5 28.222 14.813 -13.775 34 2HE LYS 5 2HE LYS 5 27.914 13.507 -12.632 35 1HZ LYS 5 1HZ LYS 5 27.483 13.226 -15.551 36 2HZ LYS 5 2HZ LYS 5 27.533 11.999 -14.388 37 3HZ LYS 5 3HZ LYS 5 28.946 12.834 -14.797 38 HA PRO 6 HA PRO 6 18.846 14.545 -13.218 39 1HB PRO 6 1HB PRO 6 17.544 13.553 -15.383 40 2HB PRO 6 2HB PRO 6 18.214 15.188 -15.331 41 1HG PRO 6 1HG PRO 6 19.355 12.711 -16.567 42 2HG PRO 6 2HG PRO 6 19.304 14.362 -17.212 43 1HD PRO 6 1HD PRO 6 21.522 13.313 -16.067 44 2HD PRO 6 2HD PRO 6 21.121 15.040 -15.966 45 H LYS 7 H LYS 7 18.750 13.043 -11.575 46 HA LYS 7 HA LYS 7 18.069 10.289 -12.375 47 1HB LYS 7 1HB LYS 7 18.966 9.593 -10.149 48 2HB LYS 7 2HB LYS 7 20.183 10.248 -11.238 49 1HG LYS 7 1HG LYS 7 20.516 12.112 -9.971 50 2HG LYS 7 2HG LYS 7 18.871 12.108 -9.332 51 1HD LYS 7 1HD LYS 7 19.395 10.265 -7.869 52 2HD LYS 7 2HD LYS 7 20.999 10.102 -8.587 53 1HE LYS 7 1HE LYS 7 21.333 11.264 -6.569 54 2HE LYS 7 2HE LYS 7 21.415 12.491 -7.832 55 1HZ LYS 7 1HZ LYS 7 19.718 13.563 -6.927 56 2HZ LYS 7 2HZ LYS 7 19.787 12.504 -5.610 57 3HZ LYS 7 3HZ LYS 7 18.752 12.174 -6.906 58 H GLU 8 H GLU 8 15.988 11.890 -12.408 59 HA GLU 8 HA GLU 8 14.556 11.236 -9.927 60 1HB GLU 8 1HB GLU 8 15.100 13.622 -9.860 61 2HB GLU 8 2HB GLU 8 14.360 13.847 -11.438 62 1HG GLU 8 1HG GLU 8 12.957 14.566 -9.513 63 2HG GLU 8 2HG GLU 8 12.194 13.391 -10.583 64 H GLY 9 H GLY 9 14.113 12.409 -13.267 65 1HA GLY 9 2HA GLY 9 12.872 11.223 -14.912 66 2HA GLY 9 3HA GLY 9 12.032 10.372 -13.625 67 H VAL 10 H VAL 10 10.546 11.357 -15.640 68 HA VAL 10 HA VAL 10 9.212 13.677 -14.404 69 HB VAL 10 HB VAL 10 10.298 14.392 -16.470 70 1HG1 VAL 10 1HG1 VAL 10 10.395 12.257 -17.624 71 2HG1 VAL 10 2HG1 VAL 10 8.639 12.251 -17.797 72 3HG1 VAL 10 3HG1 VAL 10 9.605 13.466 -18.635 73 1HG2 VAL 10 1HG2 VAL 10 8.436 15.466 -17.473 74 2HG2 VAL 10 2HG2 VAL 10 7.336 14.184 -16.967 75 3HG2 VAL 10 3HG2 VAL 10 8.039 15.267 -15.766 76 H LYS 11 H LYS 11 7.012 13.607 -14.243 77 HA LYS 11 HA LYS 11 5.666 11.210 -15.301 78 1HB LYS 11 1HB LYS 11 5.525 12.415 -12.549 79 2HB LYS 11 2HB LYS 11 4.209 11.432 -13.177 80 1HG LYS 11 1HG LYS 11 5.406 9.837 -12.083 81 2HG LYS 11 2HG LYS 11 6.162 9.737 -13.675 82 1HD LYS 11 1HD LYS 11 8.030 9.866 -12.359 83 2HD LYS 11 2HD LYS 11 7.748 11.584 -12.651 84 1HE LYS 11 1HE LYS 11 6.508 10.233 -10.287 85 2HE LYS 11 2HE LYS 11 8.196 10.740 -10.232 86 1HZ LYS 11 1HZ LYS 11 5.777 12.346 -10.226 87 2HZ LYS 11 2HZ LYS 11 7.050 12.949 -11.162 88 3HZ LYS 11 3HZ LYS 11 7.281 12.650 -9.513 89 H THR 12 H THR 12 3.873 11.592 -16.437 90 HA THR 12 HA THR 12 2.650 14.267 -16.238 91 HB THR 12 HB THR 12 1.973 13.987 -18.623 92 HG1 THR 12 1HG THR 12 3.882 11.891 -18.735 93 1HG2 THR 12 1HG2 THR 12 4.936 13.709 -18.608 94 2HG2 THR 12 2HG2 THR 12 4.222 15.031 -17.685 95 3HG2 THR 12 3HG2 THR 12 3.917 14.899 -19.416 96 H GLU 13 H GLU 13 0.994 13.772 -14.845 97 HA GLU 13 HA GLU 13 -1.110 12.066 -15.955 98 1HB GLU 13 1HB GLU 13 -1.538 11.088 -13.715 99 2HB GLU 13 2HB GLU 13 0.016 10.618 -14.387 100 1HG GLU 13 1HG GLU 13 0.822 12.726 -12.991 101 2HG GLU 13 2HG GLU 13 -0.607 12.315 -12.044 102 H ASN 14 H ASN 14 -3.185 12.722 -15.489 103 HA ASN 14 HA ASN 14 -3.405 15.393 -14.311 104 1HB ASN 14 1HB ASN 14 -4.327 14.810 -16.629 105 2HB ASN 14 2HB ASN 14 -5.580 13.908 -15.781 106 1HD2 ASN 14 1HD2 ASN 14 -4.026 17.097 -15.730 107 2HD2 ASN 14 2HD2 ASN 14 -5.480 17.989 -15.457 108 H ASN 15 H ASN 15 -3.171 12.815 -12.790 109 HA ASN 15 HA ASN 15 -5.570 13.189 -11.131 110 1HB ASN 15 1HB ASN 15 -4.500 10.689 -12.314 111 2HB ASN 15 2HB ASN 15 -5.037 10.592 -10.639 112 1HD2 ASN 15 1HD2 ASN 15 -7.227 11.450 -10.202 113 2HD2 ASN 15 2HD2 ASN 15 -8.450 11.182 -11.393 114 H ASP 16 H ASP 16 -5.127 11.857 -8.956 115 HA ASP 16 HA ASP 16 -2.808 13.129 -7.795 116 1HB ASP 16 1HB ASP 16 -4.567 11.227 -6.290 117 2HB ASP 16 2HB ASP 16 -3.761 12.686 -5.722 118 H HIS 17 H HIS 17 -1.386 11.880 -6.293 119 HA HIS 17 HA HIS 17 -1.049 9.066 -6.808 120 1HB HIS 17 1HB HIS 17 0.075 9.886 -8.771 121 2HB HIS 17 2HB HIS 17 0.974 11.068 -7.825 122 HD1 HIS 17 1HD HIS 17 0.891 7.435 -8.699 123 HD2 HIS 17 2HD HIS 17 3.213 10.067 -6.476 124 HE1 HIS 17 1HE HIS 17 2.993 6.172 -8.144 125 H ILE 18 H ILE 18 -1.005 8.557 -4.692 126 HA ILE 18 HA ILE 18 0.848 10.016 -2.939 127 HB ILE 18 HB ILE 18 -0.383 9.209 -1.066 128 1HG1 ILE 18 1HG1 ILE 18 -1.922 7.496 -3.030 129 2HG1 ILE 18 2HG1 ILE 18 -0.769 6.918 -1.831 130 1HG2 ILE 18 1HG2 ILE 18 -1.376 11.113 -2.194 131 2HG2 ILE 18 2HG2 ILE 18 -2.293 10.038 -3.247 132 3HG2 ILE 18 3HG2 ILE 18 -2.637 10.082 -1.518 133 1HD1 ILE 18 1HD1 ILE 18 -2.795 6.493 -0.828 134 2HD1 ILE 18 2HD1 ILE 18 -2.358 8.054 -0.132 135 3HD1 ILE 18 3HD1 ILE 18 -3.531 7.972 -1.446 136 H ASN 19 H ASN 19 1.322 8.235 -0.970 137 HA ASN 19 HA ASN 19 2.493 5.877 -2.275 138 1HB ASN 19 1HB ASN 19 4.064 7.961 -1.677 139 2HB ASN 19 2HB ASN 19 4.061 7.171 -0.103 140 1HD2 ASN 19 1HD2 ASN 19 4.832 5.010 0.040 141 2HD2 ASN 19 2HD2 ASN 19 5.958 4.403 -1.122 142 H LEU 20 H LEU 20 2.433 4.015 -1.105 143 HA LEU 20 HA LEU 20 1.626 4.140 1.706 144 1HB LEU 20 1HB LEU 20 0.242 2.423 -0.349 145 2HB LEU 20 2HB LEU 20 -0.098 2.460 1.380 146 HG LEU 20 HG LEU 20 -0.488 4.830 -0.439 147 1HD1 LEU 20 1HD1 LEU 20 -2.279 2.533 0.200 148 2HD1 LEU 20 2HD1 LEU 20 -2.051 3.396 -1.321 149 3HD1 LEU 20 3HD1 LEU 20 -2.970 4.142 -0.014 150 1HD2 LEU 20 1HD2 LEU 20 -2.200 5.033 1.687 151 2HD2 LEU 20 2HD2 LEU 20 -0.641 5.846 1.547 152 3HD2 LEU 20 3HD2 LEU 20 -0.764 4.320 2.423 153 H LYS 21 H LYS 21 2.035 2.190 2.890 154 HA LYS 21 HA LYS 21 3.771 0.242 1.547 155 1HB LYS 21 1HB LYS 21 4.424 1.433 4.244 156 2HB LYS 21 2HB LYS 21 5.411 0.325 3.300 157 1HG LYS 21 1HG LYS 21 5.471 2.161 1.529 158 2HG LYS 21 2HG LYS 21 4.850 3.226 2.793 159 1HD LYS 21 1HD LYS 21 6.794 2.462 4.217 160 2HD LYS 21 2HD LYS 21 7.448 1.702 2.764 161 1HE LYS 21 1HE LYS 21 7.261 3.967 1.655 162 2HE LYS 21 2HE LYS 21 6.928 4.626 3.256 163 1HZ LYS 21 1HZ LYS 21 9.422 3.781 2.108 164 2HZ LYS 21 2HZ LYS 21 9.158 3.143 3.652 165 3HZ LYS 21 3HZ LYS 21 9.130 4.818 3.413 166 H VAL 22 H VAL 22 2.746 -1.634 1.760 167 HA VAL 22 HA VAL 22 1.081 -2.156 4.087 168 HB VAL 22 HB VAL 22 1.585 -3.988 1.744 169 1HG1 VAL 22 1HG1 VAL 22 -0.185 -5.253 2.481 170 2HG1 VAL 22 2HG1 VAL 22 0.505 -4.721 4.017 171 3HG1 VAL 22 3HG1 VAL 22 -0.919 -3.912 3.360 172 1HG2 VAL 22 1HG2 VAL 22 0.753 -1.869 0.904 173 2HG2 VAL 22 2HG2 VAL 22 -0.507 -3.099 0.798 174 3HG2 VAL 22 3HG2 VAL 22 -0.559 -1.892 2.083 175 H ALA 23 H ALA 23 2.727 -2.322 5.681 176 HA ALA 23 HA ALA 23 4.448 -4.698 5.454 177 1HB ALA 23 1HB ALA 23 5.622 -3.587 7.460 178 2HB ALA 23 2HB ALA 23 5.852 -2.889 5.857 179 3HB ALA 23 3HB ALA 23 4.726 -2.142 6.990 180 H GLY 24 H GLY 24 4.168 -6.388 6.787 181 1HA GLY 24 2HA GLY 24 1.852 -6.461 8.478 182 2HA GLY 24 3HA GLY 24 3.009 -7.762 8.237 183 H GLN 25 H GLN 25 1.696 -6.461 10.664 184 HA GLN 25 HA GLN 25 3.602 -5.112 12.191 185 1HB GLN 25 1HB GLN 25 1.059 -5.643 12.618 186 2HB GLN 25 2HB GLN 25 1.706 -7.022 13.496 187 1HG GLN 25 1HG GLN 25 2.696 -4.257 14.055 188 2HG GLN 25 2HG GLN 25 1.198 -4.847 14.773 189 1HE2 GLN 25 1HE2 GLN 25 3.706 -4.100 16.050 190 2HE2 GLN 25 2HE2 GLN 25 4.231 -5.491 16.930 191 H ASP 26 H ASP 26 3.398 -8.425 11.298 192 HA ASP 26 HA ASP 26 5.058 -9.412 13.434 193 1HB ASP 26 1HB ASP 26 3.446 -10.920 12.449 194 2HB ASP 26 2HB ASP 26 4.134 -10.673 10.846 195 H GLY 27 H GLY 27 5.602 -9.657 9.923 196 1HA GLY 27 2HA GLY 27 8.134 -8.315 10.055 197 2HA GLY 27 3HA GLY 27 8.311 -10.061 9.962 198 H SER 28 H SER 28 6.120 -7.724 8.398 199 HA SER 28 HA SER 28 7.090 -8.703 5.797 200 1HB SER 28 1HB SER 28 4.254 -8.372 6.746 201 2HB SER 28 2HB SER 28 4.649 -8.292 5.029 202 HG SER 28 HG SER 28 4.462 -10.387 5.163 203 H VAL 29 H VAL 29 7.049 -7.208 4.085 204 HA VAL 29 HA VAL 29 6.234 -4.474 4.612 205 HB VAL 29 HB VAL 29 9.119 -5.157 4.032 206 1HG1 VAL 29 1HG1 VAL 29 8.609 -3.231 2.756 207 2HG1 VAL 29 2HG1 VAL 29 7.659 -2.526 4.066 208 3HG1 VAL 29 3HG1 VAL 29 9.412 -2.654 4.216 209 1HG2 VAL 29 1HG2 VAL 29 9.474 -3.860 6.170 210 2HG2 VAL 29 2HG2 VAL 29 7.733 -3.977 6.430 211 3HG2 VAL 29 3HG2 VAL 29 8.713 -5.441 6.350 212 H VAL 30 H VAL 30 5.144 -3.915 2.856 213 HA VAL 30 HA VAL 30 6.262 -4.585 0.221 214 HB VAL 30 HB VAL 30 3.344 -4.841 0.962 215 1HG1 VAL 30 1HG1 VAL 30 3.981 -6.013 -1.546 216 2HG1 VAL 30 2HG1 VAL 30 2.890 -4.669 -1.204 217 3HG1 VAL 30 3HG1 VAL 30 4.594 -4.359 -1.538 218 1HG2 VAL 30 1HG2 VAL 30 4.171 -6.796 1.789 219 2HG2 VAL 30 2HG2 VAL 30 3.976 -7.272 0.102 220 3HG2 VAL 30 3HG2 VAL 30 5.563 -6.796 0.706 221 H GLN 31 H GLN 31 6.940 -2.534 -0.239 222 HA GLN 31 HA GLN 31 5.246 -0.248 0.201 223 1HB GLN 31 1HB GLN 31 7.064 1.014 -0.900 224 2HB GLN 31 2HB GLN 31 7.647 0.009 0.420 225 1HG GLN 31 1HG GLN 31 7.758 -1.476 -2.016 226 2HG GLN 31 2HG GLN 31 8.550 0.084 -2.239 227 1HE2 GLN 31 1HE2 GLN 31 9.502 -2.776 -1.948 228 2HE2 GLN 31 2HE2 GLN 31 10.741 -2.685 -0.749 229 H PHE 32 H PHE 32 3.961 0.775 -1.226 230 HA PHE 32 HA PHE 32 4.155 0.193 -4.067 231 1HB PHE 32 1HB PHE 32 2.174 -1.036 -2.356 232 2HB PHE 32 2HB PHE 32 1.401 -0.017 -3.566 233 HD1 PHE 32 1HD PHE 32 3.366 -3.026 -2.976 234 HD2 PHE 32 2HD PHE 32 1.618 -0.518 -5.937 235 HE1 PHE 32 1HE PHE 32 3.655 -4.806 -4.650 236 HE2 PHE 32 2HE PHE 32 1.903 -2.294 -7.615 237 HZ PHE 32 HZ PHE 32 2.921 -4.442 -6.972 238 H LYS 33 H LYS 33 2.413 1.487 -5.282 239 HA LYS 33 HA LYS 33 1.846 4.017 -3.896 240 1HB LYS 33 1HB LYS 33 2.565 5.297 -5.821 241 2HB LYS 33 2HB LYS 33 3.886 4.270 -5.278 242 1HG LYS 33 1HG LYS 33 2.686 2.677 -7.127 243 2HG LYS 33 2HG LYS 33 2.425 4.282 -7.813 244 1HD LYS 33 1HD LYS 33 4.749 4.742 -7.852 245 2HD LYS 33 2HD LYS 33 5.115 3.343 -6.840 246 1HE LYS 33 1HE LYS 33 3.696 2.745 -9.346 247 2HE LYS 33 2HE LYS 33 5.327 3.384 -9.543 248 1HZ LYS 33 1HZ LYS 33 4.481 0.922 -8.144 249 2HZ LYS 33 2HZ LYS 33 5.992 1.626 -7.859 250 3HZ LYS 33 3HZ LYS 33 5.591 1.085 -9.411 251 H ILE 34 H ILE 34 0.045 5.178 -4.670 252 HA ILE 34 HA ILE 34 -1.543 4.128 -6.834 253 HB ILE 34 HB ILE 34 -2.034 2.804 -4.599 254 1HG1 ILE 34 1HG1 ILE 34 -4.634 3.394 -5.605 255 2HG1 ILE 34 2HG1 ILE 34 -3.506 3.458 -6.955 256 1HG2 ILE 34 1HG2 ILE 34 -3.476 3.756 -3.090 257 2HG2 ILE 34 2HG2 ILE 34 -2.498 5.153 -3.534 258 3HG2 ILE 34 3HG2 ILE 34 -4.093 4.929 -4.253 259 1HD1 ILE 34 1HD1 ILE 34 -2.791 1.169 -5.568 260 2HD1 ILE 34 2HD1 ILE 34 -4.554 1.183 -5.532 261 3HD1 ILE 34 3HD1 ILE 34 -3.703 1.257 -7.074 262 H LYS 35 H LYS 35 -3.653 5.378 -7.013 263 HA LYS 35 HA LYS 35 -3.050 8.171 -6.857 264 1HB LYS 35 1HB LYS 35 -5.753 7.027 -7.519 265 2HB LYS 35 2HB LYS 35 -5.025 8.521 -8.096 266 1HG LYS 35 1HG LYS 35 -4.184 5.726 -8.839 267 2HG LYS 35 2HG LYS 35 -5.076 6.861 -9.855 268 1HD LYS 35 1HD LYS 35 -3.194 8.363 -9.916 269 2HD LYS 35 2HD LYS 35 -2.311 7.365 -8.757 270 1HE LYS 35 1HE LYS 35 -1.438 6.869 -10.910 271 2HE LYS 35 2HE LYS 35 -2.433 5.495 -10.429 272 1HZ LYS 35 1HZ LYS 35 -4.129 6.131 -11.887 273 2HZ LYS 35 2HZ LYS 35 -2.708 6.339 -12.781 274 3HZ LYS 35 3HZ LYS 35 -3.493 7.682 -12.116 275 H ARG 36 H ARG 36 -5.426 9.394 -6.276 276 HA ARG 36 HA ARG 36 -5.433 9.257 -3.397 277 1HB ARG 36 1HB ARG 36 -5.511 11.439 -4.395 278 2HB ARG 36 2HB ARG 36 -6.911 11.004 -5.366 279 1HG ARG 36 1HG ARG 36 -8.224 10.762 -3.278 280 2HG ARG 36 2HG ARG 36 -6.822 11.342 -2.377 281 1HD ARG 36 1HD ARG 36 -7.815 12.970 -4.660 282 2HD ARG 36 2HD ARG 36 -8.742 12.978 -3.160 283 HE ARG 36 HE ARG 36 -6.010 13.432 -2.613 284 1HH1 ARG 36 2HH1 ARG 36 -8.811 14.988 -3.975 285 2HH1 ARG 36 1HH1 ARG 36 -8.283 16.587 -3.568 286 1HH2 ARG 36 2HH2 ARG 36 -5.303 15.533 -2.072 287 2HH2 ARG 36 1HH2 ARG 36 -6.287 16.896 -2.487 288 H HIS 37 H HIS 37 -7.960 8.996 -5.903 289 HA HIS 37 HA HIS 37 -9.616 7.521 -3.974 290 1HB HIS 37 1HB HIS 37 -11.455 7.991 -5.685 291 2HB HIS 37 2HB HIS 37 -10.837 9.373 -4.786 292 HD1 HIS 37 1HD HIS 37 -11.142 7.989 -8.203 293 HD2 HIS 37 2HD HIS 37 -9.230 11.159 -6.318 294 HE1 HIS 37 1HE HIS 37 -10.412 9.529 -10.052 295 H THR 38 H THR 38 -8.447 5.552 -4.286 296 HA THR 38 HA THR 38 -9.220 4.166 -6.763 297 HB THR 38 HB THR 38 -6.544 3.935 -5.372 298 HG1 THR 38 1HG THR 38 -7.416 5.097 -7.804 299 1HG2 THR 38 1HG2 THR 38 -5.953 2.309 -7.046 300 2HG2 THR 38 2HG2 THR 38 -7.511 2.504 -7.848 301 3HG2 THR 38 3HG2 THR 38 -7.430 1.774 -6.245 302 HA PRO 39 HA PRO 39 -10.947 1.248 -3.925 303 1HB PRO 39 1HB PRO 39 -11.408 -0.750 -5.705 304 2HB PRO 39 2HB PRO 39 -12.403 0.708 -5.618 305 1HG PRO 39 1HG PRO 39 -10.173 0.047 -7.503 306 2HG PRO 39 2HG PRO 39 -11.741 0.802 -7.845 307 1HD PRO 39 1HD PRO 39 -9.454 2.233 -7.612 308 2HD PRO 39 2HD PRO 39 -11.038 2.879 -7.135 309 H LEU 40 H LEU 40 -9.498 0.422 -2.517 310 HA LEU 40 HA LEU 40 -7.059 -0.751 -3.059 311 1HB LEU 40 1HB LEU 40 -8.909 -1.453 -0.785 312 2HB LEU 40 2HB LEU 40 -7.167 -1.719 -0.834 313 HG LEU 40 HG LEU 40 -8.231 1.061 -1.089 314 1HD1 LEU 40 1HD1 LEU 40 -8.249 1.322 1.315 315 2HD1 LEU 40 2HD1 LEU 40 -7.848 -0.381 1.531 316 3HD1 LEU 40 3HD1 LEU 40 -9.403 0.077 0.838 317 1HD2 LEU 40 1HD2 LEU 40 -5.690 -0.294 -0.454 318 2HD2 LEU 40 2HD2 LEU 40 -6.044 1.162 0.478 319 3HD2 LEU 40 3HD2 LEU 40 -5.989 1.233 -1.285 320 H SER 41 H SER 41 -10.215 -2.056 -3.460 321 HA SER 41 HA SER 41 -9.939 -4.755 -3.186 322 1HB SER 41 1HB SER 41 -11.333 -3.312 -5.454 323 2HB SER 41 2HB SER 41 -11.597 -4.998 -5.008 324 HG SER 41 HG SER 41 -13.072 -4.164 -3.757 325 H LYS 42 H LYS 42 -9.303 -3.018 -6.238 326 HA LYS 42 HA LYS 42 -8.245 -5.102 -7.692 327 1HB LYS 42 1HB LYS 42 -6.959 -3.329 -8.938 328 2HB LYS 42 2HB LYS 42 -8.686 -3.034 -8.789 329 1HG LYS 42 1HG LYS 42 -8.391 -1.171 -7.584 330 2HG LYS 42 2HG LYS 42 -7.070 -1.868 -6.643 331 1HD LYS 42 1HD LYS 42 -6.269 -0.004 -7.984 332 2HD LYS 42 2HD LYS 42 -5.550 -1.516 -8.541 333 1HE LYS 42 1HE LYS 42 -8.072 -0.662 -9.839 334 2HE LYS 42 2HE LYS 42 -6.627 0.282 -10.200 335 1HZ LYS 42 1HZ LYS 42 -5.737 -2.243 -10.456 336 2HZ LYS 42 2HZ LYS 42 -6.278 -1.282 -11.738 337 3HZ LYS 42 3HZ LYS 42 -7.327 -2.395 -11.015 338 H LEU 43 H LEU 43 -6.708 -3.148 -5.222 339 HA LEU 43 HA LEU 43 -4.058 -4.091 -5.731 340 1HB LEU 43 1HB LEU 43 -4.657 -1.937 -4.592 341 2HB LEU 43 2HB LEU 43 -5.129 -2.889 -3.186 342 HG LEU 43 HG LEU 43 -2.857 -3.627 -2.863 343 1HD1 LEU 43 1HD1 LEU 43 -2.563 -2.732 -5.604 344 2HD1 LEU 43 2HD1 LEU 43 -1.570 -3.845 -4.664 345 3HD1 LEU 43 3HD1 LEU 43 -1.289 -2.108 -4.557 346 1HD2 LEU 43 1HD2 LEU 43 -1.748 -1.317 -2.638 347 2HD2 LEU 43 2HD2 LEU 43 -3.227 -1.627 -1.729 348 3HD2 LEU 43 3HD2 LEU 43 -3.289 -0.682 -3.217 349 H MET 44 H MET 44 -6.683 -5.031 -3.582 350 HA MET 44 HA MET 44 -5.156 -6.913 -2.081 351 1HB MET 44 1HB MET 44 -8.123 -6.511 -2.444 352 2HB MET 44 2HB MET 44 -7.453 -7.762 -1.406 353 1HG MET 44 1HG MET 44 -6.362 -6.084 -0.042 354 2HG MET 44 2HG MET 44 -6.949 -4.811 -1.109 355 1HE MET 44 1HE MET 44 -7.629 -7.656 1.055 356 2HE MET 44 2HE MET 44 -8.473 -6.813 2.354 357 3HE MET 44 3HE MET 44 -9.386 -7.757 1.176 358 H LYS 45 H LYS 45 -7.462 -7.219 -4.768 359 HA LYS 45 HA LYS 45 -7.537 -9.959 -5.030 360 1HB LYS 45 1HB LYS 45 -7.630 -7.788 -7.121 361 2HB LYS 45 2HB LYS 45 -7.880 -9.484 -7.513 362 1HG LYS 45 1HG LYS 45 -9.865 -9.596 -6.282 363 2HG LYS 45 2HG LYS 45 -9.514 -8.098 -5.416 364 1HD LYS 45 1HD LYS 45 -11.167 -7.542 -7.005 365 2HD LYS 45 2HD LYS 45 -9.648 -6.934 -7.668 366 1HE LYS 45 1HE LYS 45 -10.512 -7.975 -9.514 367 2HE LYS 45 2HE LYS 45 -9.584 -9.300 -8.814 368 1HZ LYS 45 1HZ LYS 45 -11.974 -9.756 -9.538 369 2HZ LYS 45 2HZ LYS 45 -12.433 -8.917 -8.143 370 3HZ LYS 45 3HZ LYS 45 -11.495 -10.319 -8.016 371 H ALA 46 H ALA 46 -5.282 -7.746 -6.684 372 HA ALA 46 HA ALA 46 -3.743 -9.720 -7.936 373 1HB ALA 46 1HB ALA 46 -3.401 -7.603 -8.788 374 2HB ALA 46 2HB ALA 46 -3.247 -6.870 -7.191 375 3HB ALA 46 3HB ALA 46 -1.935 -7.854 -7.839 376 H TYR 47 H TYR 47 -3.364 -8.149 -4.782 377 HA TYR 47 HA TYR 47 -0.908 -9.122 -4.015 378 1HB TYR 47 1HB TYR 47 -2.675 -7.599 -2.779 379 2HB TYR 47 2HB TYR 47 -3.123 -9.116 -2.007 380 HD1 TYR 47 1HD TYR 47 -1.456 -6.314 -1.301 381 HD2 TYR 47 2HD TYR 47 -0.659 -10.487 -1.526 382 HE1 TYR 47 1HE TYR 47 0.395 -6.040 0.296 383 HE2 TYR 47 2HE TYR 47 1.194 -10.225 0.071 384 HH TYR 47 HH TYR 47 2.052 -8.778 1.674 385 H CYS 48 H CYS 48 -3.949 -10.602 -2.891 386 HA CYS 48 HA CYS 48 -2.872 -12.976 -1.984 387 1HB CYS 48 1HB CYS 48 -5.144 -12.389 -1.452 388 2HB CYS 48 2HB CYS 48 -5.604 -12.422 -3.149 389 HG CYS 48 HG CYS 48 -5.987 -14.994 -3.382 390 H GLU 49 H GLU 49 -3.708 -12.033 -5.246 391 HA GLU 49 HA GLU 49 -3.831 -14.450 -6.551 392 1HB GLU 49 1HB GLU 49 -3.955 -11.954 -7.410 393 2HB GLU 49 2HB GLU 49 -2.268 -12.240 -7.814 394 1HG GLU 49 1HG GLU 49 -2.782 -13.872 -9.375 395 2HG GLU 49 2HG GLU 49 -4.382 -14.160 -8.693 396 H ARG 50 H ARG 50 -0.960 -12.657 -5.543 397 HA ARG 50 HA ARG 50 0.737 -14.853 -6.493 398 1HB ARG 50 1HB ARG 50 2.409 -13.353 -6.790 399 2HB ARG 50 2HB ARG 50 1.081 -12.200 -6.826 400 1HG ARG 50 1HG ARG 50 1.420 -11.784 -4.418 401 2HG ARG 50 2HG ARG 50 2.808 -12.873 -4.454 402 1HD ARG 50 1HD ARG 50 2.472 -10.216 -5.812 403 2HD ARG 50 2HD ARG 50 3.708 -10.710 -4.656 404 HE ARG 50 HE ARG 50 4.143 -12.377 -6.723 405 1HH1 ARG 50 2HH1 ARG 50 3.753 -8.924 -6.526 406 2HH1 ARG 50 1HH1 ARG 50 4.776 -8.599 -7.886 407 1HH2 ARG 50 2HH2 ARG 50 5.492 -11.964 -8.515 408 2HH2 ARG 50 1HH2 ARG 50 5.764 -10.329 -9.017 409 H GLN 51 H GLN 51 -0.199 -13.081 -3.609 410 HA GLN 51 HA GLN 51 1.427 -14.912 -1.979 411 1HB GLN 51 1HB GLN 51 1.312 -12.183 -1.876 412 2HB GLN 51 2HB GLN 51 0.150 -12.629 -0.634 413 1HG GLN 51 1HG GLN 51 2.150 -14.261 0.050 414 2HG GLN 51 2HG GLN 51 3.081 -12.968 -0.705 415 1HE2 GLN 51 1HE2 GLN 51 0.306 -13.284 1.490 416 2HE2 GLN 51 2HE2 GLN 51 0.845 -12.090 2.616 417 H GLY 52 H GLY 52 -0.793 -16.076 -2.974 418 1HA GLY 52 2HA GLY 52 -3.078 -15.767 -1.272 419 2HA GLY 52 3HA GLY 52 -2.821 -17.045 -2.450 420 H LEU 53 H LEU 53 -1.350 -15.995 0.628 421 HA LEU 53 HA LEU 53 -0.993 -18.790 1.376 422 1HB LEU 53 1HB LEU 53 -0.218 -16.531 3.152 423 2HB LEU 53 2HB LEU 53 0.566 -18.091 2.909 424 HG LEU 53 HG LEU 53 0.666 -15.726 1.038 425 1HD1 LEU 53 1HD1 LEU 53 2.960 -15.535 1.666 426 2HD1 LEU 53 2HD1 LEU 53 2.873 -17.003 2.640 427 3HD1 LEU 53 3HD1 LEU 53 1.996 -15.558 3.143 428 1HD2 LEU 53 1HD2 LEU 53 1.040 -17.271 -0.532 429 2HD2 LEU 53 2HD2 LEU 53 1.244 -18.560 0.654 430 3HD2 LEU 53 3HD2 LEU 53 2.600 -17.504 0.257 431 H SER 54 H SER 54 -2.596 -15.861 2.566 432 HA SER 54 HA SER 54 -4.671 -17.433 3.790 433 1HB SER 54 1HB SER 54 -4.273 -16.250 6.056 434 2HB SER 54 2HB SER 54 -3.255 -17.633 5.654 435 HG SER 54 HG SER 54 -2.554 -14.909 5.261 436 H MET 55 H MET 55 -5.797 -16.157 2.190 437 HA MET 55 HA MET 55 -5.884 -13.341 2.233 438 1HB MET 55 1HB MET 55 -6.646 -14.568 0.294 439 2HB MET 55 2HB MET 55 -7.898 -15.362 1.239 440 1HG MET 55 1HG MET 55 -9.241 -13.513 1.279 441 2HG MET 55 2HG MET 55 -7.891 -12.395 1.099 442 1HE MET 55 1HE MET 55 -9.901 -14.826 -2.229 443 2HE MET 55 2HE MET 55 -9.624 -15.346 -0.567 444 3HE MET 55 3HE MET 55 -10.839 -14.115 -0.915 445 H ARG 56 H ARG 56 -7.415 -15.751 4.183 446 HA ARG 56 HA ARG 56 -9.568 -14.150 5.137 447 1HB ARG 56 1HB ARG 56 -9.740 -16.542 5.295 448 2HB ARG 56 2HB ARG 56 -8.257 -16.638 6.235 449 1HG ARG 56 1HG ARG 56 -9.361 -15.425 8.065 450 2HG ARG 56 2HG ARG 56 -10.852 -15.396 7.123 451 1HD ARG 56 1HD ARG 56 -9.398 -17.838 8.131 452 2HD ARG 56 2HD ARG 56 -10.930 -17.202 8.729 453 HE ARG 56 HE ARG 56 -11.149 -17.737 5.976 454 1HH1 ARG 56 2HH1 ARG 56 -10.873 -19.383 9.031 455 2HH1 ARG 56 1HH1 ARG 56 -11.722 -20.795 8.495 456 1HH2 ARG 56 2HH2 ARG 56 -12.269 -19.591 5.259 457 2HH2 ARG 56 1HH2 ARG 56 -12.515 -20.913 6.349 458 H GLN 57 H GLN 57 -6.218 -14.378 5.905 459 HA GLN 57 HA GLN 57 -6.533 -13.078 8.489 460 1HB GLN 57 1HB GLN 57 -4.302 -14.385 7.023 461 2HB GLN 57 2HB GLN 57 -3.879 -13.123 8.172 462 1HG GLN 57 1HG GLN 57 -3.758 -15.225 9.284 463 2HG GLN 57 2HG GLN 57 -5.157 -14.351 9.907 464 1HE2 GLN 57 1HE2 GLN 57 -4.083 -17.271 8.823 465 2HE2 GLN 57 2HE2 GLN 57 -5.596 -18.000 8.421 466 H ILE 58 H ILE 58 -5.987 -12.246 5.218 467 HA ILE 58 HA ILE 58 -4.476 -9.901 5.479 468 HB ILE 58 HB ILE 58 -6.606 -10.530 3.431 469 1HG1 ILE 58 1HG1 ILE 58 -4.780 -12.197 3.542 470 2HG1 ILE 58 2HG1 ILE 58 -4.763 -11.294 2.032 471 1HG2 ILE 58 1HG2 ILE 58 -4.780 -8.253 3.798 472 2HG2 ILE 58 2HG2 ILE 58 -4.839 -8.925 2.169 473 3HG2 ILE 58 3HG2 ILE 58 -6.318 -8.351 2.940 474 1HD1 ILE 58 1HD1 ILE 58 -2.521 -11.636 2.953 475 2HD1 ILE 58 2HD1 ILE 58 -2.941 -9.927 2.840 476 3HD1 ILE 58 3HD1 ILE 58 -2.991 -10.746 4.401 477 H ARG 59 H ARG 59 -4.938 -8.132 6.592 478 HA ARG 59 HA ARG 59 -7.499 -6.843 6.333 479 1HB ARG 59 1HB ARG 59 -7.892 -6.737 8.800 480 2HB ARG 59 2HB ARG 59 -8.089 -8.342 8.110 481 1HG ARG 59 1HG ARG 59 -5.665 -8.742 8.835 482 2HG ARG 59 2HG ARG 59 -5.872 -7.300 9.830 483 1HD ARG 59 1HD ARG 59 -6.354 -9.235 11.167 484 2HD ARG 59 2HD ARG 59 -7.857 -8.365 10.868 485 HE ARG 59 HE ARG 59 -7.503 -10.364 8.911 486 1HH1 ARG 59 2HH1 ARG 59 -8.275 -9.970 12.282 487 2HH1 ARG 59 1HH1 ARG 59 -9.213 -11.424 12.372 488 1HH2 ARG 59 2HH2 ARG 59 -8.735 -12.281 9.016 489 2HH2 ARG 59 1HH2 ARG 59 -9.473 -12.738 10.513 490 H PHE 60 H PHE 60 -7.125 -4.735 6.201 491 HA PHE 60 HA PHE 60 -4.541 -3.665 6.859 492 1HB PHE 60 1HB PHE 60 -7.043 -2.539 5.637 493 2HB PHE 60 2HB PHE 60 -5.734 -1.472 6.135 494 HD1 PHE 60 1HD PHE 60 -3.389 -2.008 5.202 495 HD2 PHE 60 2HD PHE 60 -7.008 -3.510 3.540 496 HE1 PHE 60 1HE PHE 60 -2.232 -2.428 3.071 497 HE2 PHE 60 2HE PHE 60 -5.857 -3.933 1.407 498 HZ PHE 60 HZ PHE 60 -3.466 -3.393 1.170 499 H ARG 61 H ARG 61 -3.947 -2.765 8.713 500 HA ARG 61 HA ARG 61 -5.967 -1.517 10.426 501 1HB ARG 61 1HB ARG 61 -5.286 -4.004 11.031 502 2HB ARG 61 2HB ARG 61 -3.889 -3.207 11.741 503 1HG ARG 61 1HG ARG 61 -5.190 -2.052 13.298 504 2HG ARG 61 2HG ARG 61 -6.681 -2.343 12.399 505 1HD ARG 61 1HD ARG 61 -5.125 -4.664 13.445 506 2HD ARG 61 2HD ARG 61 -6.125 -3.726 14.554 507 HE ARG 61 HE ARG 61 -7.785 -4.276 12.470 508 1HH1 ARG 61 2HH1 ARG 61 -5.802 -6.204 14.584 509 2HH1 ARG 61 1HH1 ARG 61 -6.840 -7.589 14.508 510 1HH2 ARG 61 2HH2 ARG 61 -9.159 -6.093 12.362 511 2HH2 ARG 61 1HH2 ARG 61 -8.749 -7.525 13.243 512 H PHE 62 H PHE 62 -5.285 0.302 11.422 513 HA PHE 62 HA PHE 62 -2.472 1.059 11.015 514 1HB PHE 62 1HB PHE 62 -4.252 2.458 9.911 515 2HB PHE 62 2HB PHE 62 -4.806 2.911 11.520 516 HD1 PHE 62 1HD PHE 62 -4.026 4.877 12.400 517 HD2 PHE 62 2HD PHE 62 -1.645 2.813 9.539 518 HE1 PHE 62 1HE PHE 62 -2.384 6.709 12.451 519 HE2 PHE 62 2HE PHE 62 0.002 4.641 9.586 520 HZ PHE 62 HZ PHE 62 -0.366 6.592 11.043 521 H ASP 63 H ASP 63 -1.452 2.361 12.681 522 HA ASP 63 HA ASP 63 -1.950 1.291 15.295 523 1HB ASP 63 1HB ASP 63 0.057 3.237 14.178 524 2HB ASP 63 2HB ASP 63 -0.056 2.928 15.908 525 H GLY 64 H GLY 64 -4.251 2.377 14.941 526 1HA GLY 64 2HA GLY 64 -4.452 4.399 16.921 527 2HA GLY 64 3HA GLY 64 -4.656 5.098 15.322 528 H GLN 65 H GLN 65 -5.941 2.760 14.191 529 HA GLN 65 HA GLN 65 -8.236 2.058 15.696 530 1HB GLN 65 1HB GLN 65 -8.347 4.523 14.097 531 2HB GLN 65 2HB GLN 65 -9.655 3.393 13.777 532 1HG GLN 65 1HG GLN 65 -9.742 3.356 16.433 533 2HG GLN 65 2HG GLN 65 -9.050 4.962 16.210 534 1HE2 GLN 65 1HE2 GLN 65 -10.735 6.223 16.730 535 2HE2 GLN 65 2HE2 GLN 65 -12.261 6.210 15.920 536 HA PRO 66 HA PRO 66 -8.591 -0.996 12.569 537 1HB PRO 66 1HB PRO 66 -11.270 -1.425 12.461 538 2HB PRO 66 2HB PRO 66 -10.267 -1.950 13.819 539 1HG PRO 66 1HG PRO 66 -12.007 0.474 13.575 540 2HG PRO 66 2HG PRO 66 -11.820 -0.635 14.945 541 1HD PRO 66 1HD PRO 66 -10.586 1.772 14.840 542 2HD PRO 66 2HD PRO 66 -9.867 0.366 15.650 543 H ILE 67 H ILE 67 -9.446 -1.498 10.432 544 HA ILE 67 HA ILE 67 -10.507 0.842 8.997 545 HB ILE 67 HB ILE 67 -8.451 -0.996 7.790 546 1HG1 ILE 67 1HG1 ILE 67 -7.984 1.672 9.141 547 2HG1 ILE 67 2HG1 ILE 67 -7.448 0.107 9.743 548 1HG2 ILE 67 1HG2 ILE 67 -9.785 0.208 6.192 549 2HG2 ILE 67 2HG2 ILE 67 -9.503 1.727 7.041 550 3HG2 ILE 67 3HG2 ILE 67 -8.168 0.911 6.228 551 1HD1 ILE 67 1HD1 ILE 67 -6.459 0.318 7.129 552 2HD1 ILE 67 2HD1 ILE 67 -6.165 1.875 7.905 553 3HD1 ILE 67 3HD1 ILE 67 -5.557 0.393 8.642 554 H ASN 68 H ASN 68 -11.729 0.380 7.113 555 HA ASN 68 HA ASN 68 -13.073 -2.197 7.248 556 1HB ASN 68 1HB ASN 68 -13.774 0.043 5.364 557 2HB ASN 68 2HB ASN 68 -14.822 -1.216 6.009 558 1HD2 ASN 68 1HD2 ASN 68 -15.218 1.637 6.045 559 2HD2 ASN 68 2HD2 ASN 68 -15.341 2.100 7.705 560 H GLU 69 H GLU 69 -13.847 -2.955 4.922 561 HA GLU 69 HA GLU 69 -11.396 -3.573 3.489 562 1HB GLU 69 1HB GLU 69 -12.744 -5.226 2.297 563 2HB GLU 69 2HB GLU 69 -12.949 -5.389 4.036 564 1HG GLU 69 1HG GLU 69 -15.021 -3.859 3.653 565 2HG GLU 69 2HG GLU 69 -14.877 -4.412 1.985 566 H THR 70 H THR 70 -14.469 -1.939 2.942 567 HA THR 70 HA THR 70 -13.675 -1.250 0.215 568 HB THR 70 HB THR 70 -15.995 -2.032 0.621 569 HG1 THR 70 1HG THR 70 -15.549 -0.612 -1.135 570 1HG2 THR 70 1HG2 THR 70 -17.236 -1.225 2.286 571 2HG2 THR 70 2HG2 THR 70 -17.074 0.414 1.656 572 3HG2 THR 70 3HG2 THR 70 -15.871 -0.222 2.778 573 H ASP 71 H ASP 71 -12.356 -0.119 2.611 574 HA ASP 71 HA ASP 71 -13.192 2.668 2.602 575 1HB ASP 71 1HB ASP 71 -11.925 2.945 4.512 576 2HB ASP 71 2HB ASP 71 -12.333 1.236 4.639 577 H THR 72 H THR 72 -11.120 4.212 2.696 578 HA THR 72 HA THR 72 -9.213 3.512 0.599 579 HB THR 72 HB THR 72 -9.606 5.507 -0.700 580 HG1 THR 72 1HG THR 72 -11.145 7.008 -0.120 581 1HG2 THR 72 1HG2 THR 72 -11.090 3.389 -0.942 582 2HG2 THR 72 2HG2 THR 72 -11.558 4.865 -1.786 583 3HG2 THR 72 3HG2 THR 72 -12.364 4.415 -0.284 584 HA PRO 73 HA PRO 73 -6.387 5.749 3.111 585 1HB PRO 73 1HB PRO 73 -4.596 6.570 1.242 586 2HB PRO 73 2HB PRO 73 -4.723 4.891 1.778 587 1HG PRO 73 1HG PRO 73 -5.842 6.185 -0.678 588 2HG PRO 73 2HG PRO 73 -5.042 4.612 -0.508 589 1HD PRO 73 1HD PRO 73 -7.733 4.868 -0.659 590 2HD PRO 73 2HD PRO 73 -6.947 3.586 0.286 591 H ALA 74 H ALA 74 -7.509 7.380 0.171 592 HA ALA 74 HA ALA 74 -6.707 9.983 0.854 593 1HB ALA 74 1HB ALA 74 -7.286 9.651 -1.385 594 2HB ALA 74 2HB ALA 74 -8.834 8.913 -0.972 595 3HB ALA 74 3HB ALA 74 -8.594 10.645 -0.745 596 H GLN 75 H GLN 75 -9.336 8.030 1.954 597 HA GLN 75 HA GLN 75 -10.712 10.329 3.125 598 1HB GLN 75 1HB GLN 75 -11.870 8.352 1.905 599 2HB GLN 75 2HB GLN 75 -11.599 7.473 3.404 600 1HG GLN 75 1HG GLN 75 -12.775 9.418 4.557 601 2HG GLN 75 2HG GLN 75 -13.293 9.901 2.942 602 1HE2 GLN 75 1HE2 GLN 75 -15.313 9.469 4.441 603 2HE2 GLN 75 2HE2 GLN 75 -16.038 7.918 4.204 604 H LEU 76 H LEU 76 -8.094 8.826 3.975 605 HA LEU 76 HA LEU 76 -8.759 8.859 6.835 606 1HB LEU 76 1HB LEU 76 -7.520 6.677 5.256 607 2HB LEU 76 2HB LEU 76 -6.864 6.987 6.862 608 HG LEU 76 HG LEU 76 -9.430 6.830 7.526 609 1HD1 LEU 76 1HD1 LEU 76 -10.624 5.205 6.230 610 2HD1 LEU 76 2HD1 LEU 76 -9.249 4.990 5.148 611 3HD1 LEU 76 3HD1 LEU 76 -10.127 6.519 5.163 612 1HD2 LEU 76 1HD2 LEU 76 -8.210 4.185 7.028 613 2HD2 LEU 76 2HD2 LEU 76 -8.868 4.873 8.513 614 3HD2 LEU 76 3HD2 LEU 76 -7.253 5.331 7.968 615 H GLU 77 H GLU 77 -7.123 10.341 4.525 616 HA GLU 77 HA GLU 77 -5.226 11.597 4.373 617 1HB GLU 77 1HB GLU 77 -5.321 11.701 7.384 618 2HB GLU 77 2HB GLU 77 -4.704 12.920 6.278 619 1HG GLU 77 1HG GLU 77 -6.939 13.395 5.495 620 2HG GLU 77 2HG GLU 77 -7.593 12.106 6.503 621 H MET 78 H MET 78 -4.575 9.016 4.109 622 HA MET 78 HA MET 78 -2.170 8.674 5.778 623 1HB MET 78 1HB MET 78 -3.588 6.480 4.271 624 2HB MET 78 2HB MET 78 -2.351 6.311 5.509 625 1HG MET 78 1HG MET 78 -4.335 7.711 6.798 626 2HG MET 78 2HG MET 78 -5.229 6.596 5.768 627 1HE MET 78 1HE MET 78 -4.710 3.194 7.225 628 2HE MET 78 2HE MET 78 -5.806 4.319 6.422 629 3HE MET 78 3HE MET 78 -4.277 3.881 5.659 630 H GLU 79 H GLU 79 -1.005 10.068 4.325 631 HA GLU 79 HA GLU 79 -0.104 8.634 1.927 632 1HB GLU 79 1HB GLU 79 -0.272 11.608 1.809 633 2HB GLU 79 2HB GLU 79 -0.359 10.428 0.509 634 1HG GLU 79 1HG GLU 79 -2.615 9.780 1.347 635 2HG GLU 79 2HG GLU 79 -2.517 11.125 2.483 636 H ASP 80 H ASP 80 1.769 10.448 1.044 637 HA ASP 80 HA ASP 80 3.917 11.131 1.360 638 1HB ASP 80 1HB ASP 80 3.397 11.431 4.303 639 2HB ASP 80 2HB ASP 80 4.430 12.400 3.257 640 H GLU 81 H GLU 81 3.570 8.439 1.261 641 HA GLU 81 HA GLU 81 4.669 6.486 1.655 642 1HB GLU 81 1HB GLU 81 6.593 8.029 3.387 643 2HB GLU 81 2HB GLU 81 6.889 6.543 2.495 644 1HG GLU 81 1HG GLU 81 6.646 7.784 0.387 645 2HG GLU 81 2HG GLU 81 6.421 9.269 1.309 646 H ASP 82 H ASP 82 2.476 6.838 3.157 647 HA ASP 82 HA ASP 82 3.050 6.456 5.961 648 1HB ASP 82 1HB ASP 82 0.867 7.393 4.567 649 2HB ASP 82 2HB ASP 82 0.344 5.785 5.060 650 H THR 83 H THR 83 3.246 4.580 7.017 651 HA THR 83 HA THR 83 3.014 2.110 5.461 652 HB THR 83 HB THR 83 4.239 2.426 8.203 653 HG1 THR 83 1HG THR 83 6.234 2.284 6.757 654 1HG2 THR 83 1HG2 THR 83 3.689 0.185 6.537 655 2HG2 THR 83 2HG2 THR 83 4.507 0.218 8.098 656 3HG2 THR 83 3HG2 THR 83 5.437 0.401 6.611 657 H ILE 84 H ILE 84 1.086 1.159 5.584 658 HA ILE 84 HA ILE 84 -0.466 1.336 8.056 659 HB ILE 84 HB ILE 84 -1.277 0.206 5.375 660 1HG1 ILE 84 1HG1 ILE 84 -2.764 2.414 5.609 661 2HG1 ILE 84 2HG1 ILE 84 -1.373 2.940 6.551 662 1HG2 ILE 84 1HG2 ILE 84 -3.576 0.849 6.639 663 2HG2 ILE 84 2HG2 ILE 84 -2.851 -0.758 6.663 664 3HG2 ILE 84 3HG2 ILE 84 -2.580 0.352 8.007 665 1HD1 ILE 84 1HD1 ILE 84 -1.678 2.621 3.676 666 2HD1 ILE 84 2HD1 ILE 84 -0.533 3.595 4.599 667 3HD1 ILE 84 3HD1 ILE 84 -0.208 1.886 4.313 668 H ASP 85 H ASP 85 -0.448 -0.258 9.484 669 HA ASP 85 HA ASP 85 0.974 -2.666 9.091 670 1HB ASP 85 1HB ASP 85 -0.677 -1.476 11.238 671 2HB ASP 85 2HB ASP 85 -0.563 -3.234 11.249 672 H VAL 86 H VAL 86 0.225 -4.812 8.956 673 HA VAL 86 HA VAL 86 -2.596 -5.249 8.364 674 HB VAL 86 HB VAL 86 -0.407 -5.950 6.403 675 1HG1 VAL 86 1HG1 VAL 86 -1.751 -7.716 6.004 676 2HG1 VAL 86 2HG1 VAL 86 -3.148 -6.963 6.776 677 3HG1 VAL 86 3HG1 VAL 86 -2.711 -6.528 5.123 678 1HG2 VAL 86 1HG2 VAL 86 -2.050 -4.560 4.917 679 2HG2 VAL 86 2HG2 VAL 86 -2.557 -3.879 6.462 680 3HG2 VAL 86 3HG2 VAL 86 -0.876 -3.741 5.947 681 H PHE 87 H PHE 87 -3.290 -7.329 8.750 682 HA PHE 87 HA PHE 87 -1.426 -8.999 10.244 683 1HB PHE 87 1HB PHE 87 -3.926 -8.333 10.859 684 2HB PHE 87 2HB PHE 87 -4.288 -9.756 9.888 685 HD1 PHE 87 1HD PHE 87 -3.170 -8.532 13.064 686 HD2 PHE 87 2HD PHE 87 -3.257 -11.958 10.541 687 HE1 PHE 87 1HE PHE 87 -2.696 -9.969 15.004 688 HE2 PHE 87 2HE PHE 87 -2.784 -13.400 12.477 689 HZ PHE 87 HZ PHE 87 -2.503 -12.406 14.712 690 H GLN 88 H GLN 88 -0.714 -10.959 9.606 691 HA GLN 88 HA GLN 88 -1.932 -12.273 7.309 692 1HB GLN 88 1HB GLN 88 1.019 -11.628 7.371 693 2HB GLN 88 2HB GLN 88 0.158 -12.484 6.099 694 1HG GLN 88 1HG GLN 88 -1.142 -10.448 5.641 695 2HG GLN 88 2HG GLN 88 -0.208 -9.599 6.872 696 1HE2 GLN 88 1HE2 GLN 88 0.766 -8.132 5.570 697 2HE2 GLN 88 2HE2 GLN 88 1.896 -8.541 4.329 698 H GLN 89 H GLN 89 -0.885 -14.448 6.916 699 HA GLN 89 HA GLN 89 -0.123 -15.630 9.504 700 1HB GLN 89 1HB GLN 89 -2.344 -16.253 8.204 701 2HB GLN 89 2HB GLN 89 -1.253 -17.293 7.299 702 1HG GLN 89 1HG GLN 89 -2.341 -18.473 9.140 703 2HG GLN 89 2HG GLN 89 -0.589 -18.423 9.328 704 1HE2 GLN 89 1HE2 GLN 89 -0.565 -18.674 11.518 705 2HE2 GLN 89 2HE2 GLN 89 -1.161 -17.485 12.621 706 H GLN 90 H GLN 90 1.763 -14.463 7.709 707 HA GLN 90 HA GLN 90 3.024 -16.521 6.172 708 1HB GLN 90 1HB GLN 90 3.162 -13.998 5.782 709 2HB GLN 90 2HB GLN 90 4.322 -13.967 7.103 710 1HG GLN 90 1HG GLN 90 5.890 -15.223 5.912 711 2HG GLN 90 2HG GLN 90 4.693 -15.767 4.738 712 1HE2 GLN 90 1HE2 GLN 90 7.044 -13.453 5.487 713 2HE2 GLN 90 2HE2 GLN 90 6.787 -12.399 4.142 714 H THR 91 H THR 91 5.315 -17.161 6.555 715 HA THR 91 HA THR 91 5.696 -17.770 9.407 716 HB THR 91 HB THR 91 5.531 -19.786 8.145 717 HG1 THR 91 1HG THR 91 8.333 -19.474 8.367 718 1HG2 THR 91 1HG2 THR 91 5.898 -19.524 5.931 719 2HG2 THR 91 2HG2 THR 91 7.550 -19.985 6.345 720 3HG2 THR 91 3HG2 THR 91 7.125 -18.281 6.178 721 H GLY 92 H GLY 92 6.550 -15.454 9.425 722 1HA GLY 92 2HA GLY 92 9.449 -15.610 9.308 723 2HA GLY 92 3HA GLY 92 8.719 -14.403 8.260 724 H GLY 93 H GLY 93 10.245 -14.704 11.082 725 1HA GLY 93 2HA GLY 93 8.607 -12.654 12.435 726 2HA GLY 93 3HA GLY 93 9.695 -13.762 13.258 727 H VAL 94 H VAL 94 9.370 -10.733 11.706 728 HA VAL 94 HA VAL 94 12.266 -10.256 11.984 729 HB VAL 94 HB VAL 94 10.323 -8.827 10.164 730 1HG1 VAL 94 1HG1 VAL 94 11.875 -7.197 10.530 731 2HG1 VAL 94 2HG1 VAL 94 13.156 -8.348 10.915 732 3HG1 VAL 94 3HG1 VAL 94 12.687 -8.078 9.236 733 1HG2 VAL 94 1HG2 VAL 94 12.095 -9.916 8.494 734 2HG2 VAL 94 2HG2 VAL 94 12.160 -11.120 9.781 735 3HG2 VAL 94 3HG2 VAL 94 10.625 -10.751 8.994 736 H TYR 95 H TYR 95 9.336 -8.231 11.808 737 HA TYR 95 HA TYR 95 10.423 -6.396 13.744 738 1HB TYR 95 1HB TYR 95 8.818 -5.969 11.677 739 2HB TYR 95 2HB TYR 95 7.569 -6.267 12.880 740 HD1 TYR 95 1HD TYR 95 10.358 -4.052 11.933 741 HD2 TYR 95 2HD TYR 95 7.095 -4.665 14.595 742 HE1 TYR 95 1HE TYR 95 10.559 -1.726 12.706 743 HE2 TYR 95 2HE TYR 95 7.287 -2.340 15.374 744 HH TYR 95 HH TYR 95 9.910 -0.248 14.287 Start of MODEL 15 1 1H MET 1 1H MET 1 26.024 5.237 9.695 2 HA MET 1 HA MET 1 24.713 3.626 11.732 3 1HB MET 1 1HB MET 1 25.879 5.942 12.050 4 2HB MET 1 2HB MET 1 24.359 6.589 11.447 5 1HG MET 1 1HG MET 1 24.260 4.611 13.657 6 2HG MET 1 2HG MET 1 24.810 6.246 14.019 7 1HE MET 1 1HE MET 1 20.965 5.092 14.838 8 2HE MET 1 2HE MET 1 22.632 4.654 15.210 9 3HE MET 1 3HE MET 1 21.993 6.214 15.730 10 H ALA 2 H ALA 2 23.832 5.833 9.098 11 HA ALA 2 HA ALA 2 21.147 4.624 9.106 12 1HB ALA 2 1HB ALA 2 20.210 6.815 8.468 13 2HB ALA 2 2HB ALA 2 20.945 6.829 10.072 14 3HB ALA 2 3HB ALA 2 21.801 7.539 8.703 15 H ASP 3 H ASP 3 20.881 3.530 7.283 16 HA ASP 3 HA ASP 3 22.331 4.358 4.878 17 1HB ASP 3 1HB ASP 3 22.667 2.057 5.359 18 2HB ASP 3 2HB ASP 3 20.951 1.794 5.662 19 H GLU 4 H GLU 4 21.277 4.576 2.859 20 HA GLU 4 HA GLU 4 18.385 4.591 2.765 21 1HB GLU 4 1HB GLU 4 20.020 7.112 2.655 22 2HB GLU 4 2HB GLU 4 18.464 7.004 1.845 23 1HG GLU 4 1HG GLU 4 17.527 6.278 4.098 24 2HG GLU 4 2HG GLU 4 19.056 6.834 4.778 25 H LYS 5 H LYS 5 17.548 4.744 0.635 26 HA LYS 5 HA LYS 5 19.387 4.921 -1.594 27 1HB LYS 5 1HB LYS 5 18.541 2.681 -2.490 28 2HB LYS 5 2HB LYS 5 19.735 2.628 -1.200 29 1HG LYS 5 1HG LYS 5 18.107 2.048 0.412 30 2HG LYS 5 2HG LYS 5 16.781 2.418 -0.693 31 1HD LYS 5 1HD LYS 5 17.027 0.466 -1.858 32 2HD LYS 5 2HD LYS 5 18.757 0.359 -1.526 33 1HE LYS 5 1HE LYS 5 16.801 0.067 0.711 34 2HE LYS 5 2HE LYS 5 17.083 -1.289 -0.378 35 1HZ LYS 5 1HZ LYS 5 19.582 -0.583 0.186 36 2HZ LYS 5 2HZ LYS 5 18.719 -1.729 1.080 37 3HZ LYS 5 3HZ LYS 5 18.829 -0.135 1.633 38 HA PRO 6 HA PRO 6 15.052 6.464 -2.326 39 1HB PRO 6 1HB PRO 6 15.811 8.918 -3.206 40 2HB PRO 6 2HB PRO 6 15.547 8.550 -1.497 41 1HG PRO 6 1HG PRO 6 18.115 8.692 -3.029 42 2HG PRO 6 2HG PRO 6 17.741 9.316 -1.412 43 1HD PRO 6 1HD PRO 6 19.082 6.997 -1.804 44 2HD PRO 6 2HD PRO 6 18.003 7.253 -0.418 45 H LYS 7 H LYS 7 14.341 5.560 -4.153 46 HA LYS 7 HA LYS 7 15.559 6.387 -6.686 47 1HB LYS 7 1HB LYS 7 15.204 3.982 -7.491 48 2HB LYS 7 2HB LYS 7 16.581 4.285 -6.440 49 1HG LYS 7 1HG LYS 7 15.438 3.357 -4.559 50 2HG LYS 7 2HG LYS 7 13.932 3.235 -5.472 51 1HD LYS 7 1HD LYS 7 14.702 1.074 -5.618 52 2HD LYS 7 2HD LYS 7 15.395 1.770 -7.085 53 1HE LYS 7 1HE LYS 7 16.968 1.877 -4.557 54 2HE LYS 7 2HE LYS 7 16.859 0.346 -5.423 55 1HZ LYS 7 1HZ LYS 7 17.438 2.106 -7.387 56 2HZ LYS 7 2HZ LYS 7 18.569 1.131 -6.595 57 3HZ LYS 7 3HZ LYS 7 18.329 2.727 -6.089 58 H GLU 8 H GLU 8 12.849 4.802 -5.052 59 HA GLU 8 HA GLU 8 11.079 4.967 -7.278 60 1HB GLU 8 1HB GLU 8 9.327 4.372 -5.660 61 2HB GLU 8 2HB GLU 8 10.729 3.322 -5.517 62 1HG GLU 8 1HG GLU 8 10.213 3.759 -3.320 63 2HG GLU 8 2HG GLU 8 11.465 4.954 -3.655 64 H GLY 9 H GLY 9 12.068 7.173 -4.818 65 1HA GLY 9 2HA GLY 9 9.902 8.871 -4.564 66 2HA GLY 9 3HA GLY 9 11.578 9.394 -4.493 67 H VAL 10 H VAL 10 8.697 9.779 -6.087 68 HA VAL 10 HA VAL 10 10.059 11.049 -8.365 69 HB VAL 10 HB VAL 10 8.047 10.444 -9.761 70 1HG1 VAL 10 1HG1 VAL 10 9.804 8.220 -8.732 71 2HG1 VAL 10 2HG1 VAL 10 8.836 8.143 -10.206 72 3HG1 VAL 10 3HG1 VAL 10 10.153 9.309 -10.075 73 1HG2 VAL 10 1HG2 VAL 10 6.402 9.079 -9.025 74 2HG2 VAL 10 2HG2 VAL 10 7.489 8.141 -8.001 75 3HG2 VAL 10 3HG2 VAL 10 6.889 9.705 -7.450 76 H LYS 11 H LYS 11 8.419 12.535 -9.553 77 HA LYS 11 HA LYS 11 6.628 13.858 -7.644 78 1HB LYS 11 1HB LYS 11 9.000 15.036 -9.016 79 2HB LYS 11 2HB LYS 11 7.575 16.047 -8.812 80 1HG LYS 11 1HG LYS 11 8.665 16.566 -6.894 81 2HG LYS 11 2HG LYS 11 7.760 15.163 -6.322 82 1HD LYS 11 1HD LYS 11 9.928 14.760 -5.566 83 2HD LYS 11 2HD LYS 11 9.825 13.804 -7.047 84 1HE LYS 11 1HE LYS 11 11.841 14.849 -7.361 85 2HE LYS 11 2HE LYS 11 10.758 15.997 -8.147 86 1HZ LYS 11 1HZ LYS 11 12.366 17.069 -6.660 87 2HZ LYS 11 2HZ LYS 11 11.718 16.224 -5.346 88 3HZ LYS 11 3HZ LYS 11 10.770 17.352 -6.177 89 H THR 12 H THR 12 4.974 15.132 -8.609 90 HA THR 12 HA THR 12 4.656 14.862 -11.511 91 HB THR 12 HB THR 12 2.110 14.444 -10.852 92 HG1 THR 12 1HG THR 12 3.639 13.477 -8.668 93 1HG2 THR 12 1HG2 THR 12 4.110 12.957 -11.988 94 2HG2 THR 12 2HG2 THR 12 2.425 12.454 -11.848 95 3HG2 THR 12 3HG2 THR 12 3.605 11.935 -10.644 96 H GLU 13 H GLU 13 3.199 16.374 -12.454 97 HA GLU 13 HA GLU 13 2.655 18.702 -10.730 98 1HB GLU 13 1HB GLU 13 2.776 20.005 -12.918 99 2HB GLU 13 2HB GLU 13 4.292 19.387 -12.278 100 1HG GLU 13 1HG GLU 13 2.807 17.714 -14.229 101 2HG GLU 13 2HG GLU 13 3.654 19.143 -14.820 102 H ASN 14 H ASN 14 1.443 16.628 -13.290 103 HA ASN 14 HA ASN 14 -1.021 18.060 -13.615 104 1HB ASN 14 1HB ASN 14 0.048 16.650 -15.399 105 2HB ASN 14 2HB ASN 14 -0.395 15.226 -14.462 106 1HD2 ASN 14 1HD2 ASN 14 -1.569 17.879 -16.378 107 2HD2 ASN 14 2HD2 ASN 14 -3.157 17.250 -16.639 108 H ASN 15 H ASN 15 0.089 15.336 -11.713 109 HA ASN 15 HA ASN 15 -2.519 15.303 -10.354 110 1HB ASN 15 1HB ASN 15 -0.842 12.869 -11.008 111 2HB ASN 15 2HB ASN 15 -2.356 12.868 -10.107 112 1HD2 ASN 15 1HD2 ASN 15 -4.152 12.532 -11.204 113 2HD2 ASN 15 2HD2 ASN 15 -4.330 12.664 -12.917 114 H ASP 16 H ASP 16 -2.264 13.970 -8.216 115 HA ASP 16 HA ASP 16 -0.163 15.279 -6.721 116 1HB ASP 16 1HB ASP 16 -2.763 14.412 -6.143 117 2HB ASP 16 2HB ASP 16 -1.711 13.367 -5.192 118 H HIS 17 H HIS 17 0.776 13.796 -4.856 119 HA HIS 17 HA HIS 17 1.415 11.109 -5.645 120 1HB HIS 17 1HB HIS 17 3.907 11.570 -5.701 121 2HB HIS 17 2HB HIS 17 2.994 12.134 -7.098 122 HD1 HIS 17 1HD HIS 17 5.168 13.294 -4.360 123 HD2 HIS 17 2HD HIS 17 2.641 14.981 -7.194 124 HE1 HIS 17 1HE HIS 17 5.741 15.742 -4.399 125 H ILE 18 H ILE 18 0.892 10.326 -3.675 126 HA ILE 18 HA ILE 18 2.160 11.534 -1.315 127 HB ILE 18 HB ILE 18 0.493 10.529 0.037 128 1HG1 ILE 18 1HG1 ILE 18 -0.372 9.007 -2.432 129 2HG1 ILE 18 2HG1 ILE 18 0.431 8.327 -1.020 130 1HG2 ILE 18 1HG2 ILE 18 -1.570 11.443 -0.873 131 2HG2 ILE 18 2HG2 ILE 18 -0.217 12.529 -1.187 132 3HG2 ILE 18 3HG2 ILE 18 -0.848 11.510 -2.480 133 1HD1 ILE 18 1HD1 ILE 18 -1.714 7.770 -0.545 134 2HD1 ILE 18 2HD1 ILE 18 -1.664 9.363 0.212 135 3HD1 ILE 18 3HD1 ILE 18 -2.383 9.168 -1.386 136 H ASN 19 H ASN 19 2.390 9.687 0.485 137 HA ASN 19 HA ASN 19 3.921 7.498 -0.760 138 1HB ASN 19 1HB ASN 19 5.093 9.455 0.620 139 2HB ASN 19 2HB ASN 19 4.624 8.439 1.979 140 1HD2 ASN 19 1HD2 ASN 19 5.466 6.325 2.118 141 2HD2 ASN 19 2HD2 ASN 19 6.925 5.892 1.301 142 H LEU 20 H LEU 20 3.833 5.465 0.213 143 HA LEU 20 HA LEU 20 2.031 5.107 2.484 144 1HB LEU 20 1HB LEU 20 1.720 3.584 -0.099 145 2HB LEU 20 2HB LEU 20 0.767 3.365 1.368 146 HG LEU 20 HG LEU 20 0.776 5.871 -0.313 147 1HD1 LEU 20 1HD1 LEU 20 -1.453 5.134 -1.040 148 2HD1 LEU 20 2HD1 LEU 20 -1.205 3.601 -0.206 149 3HD1 LEU 20 3HD1 LEU 20 -0.178 4.037 -1.571 150 1HD2 LEU 20 1HD2 LEU 20 -0.767 6.747 1.119 151 2HD2 LEU 20 2HD2 LEU 20 0.165 5.777 2.260 152 3HD2 LEU 20 3HD2 LEU 20 -1.363 5.166 1.625 153 H LYS 21 H LYS 21 2.122 2.886 3.361 154 HA LYS 21 HA LYS 21 4.542 1.403 2.641 155 1HB LYS 21 1HB LYS 21 3.893 2.488 5.378 156 2HB LYS 21 2HB LYS 21 5.014 1.155 5.133 157 1HG LYS 21 1HG LYS 21 5.317 3.876 3.883 158 2HG LYS 21 2HG LYS 21 6.106 3.366 5.378 159 1HD LYS 21 1HD LYS 21 6.431 2.028 2.692 160 2HD LYS 21 2HD LYS 21 7.580 3.160 3.410 161 1HE LYS 21 1HE LYS 21 6.779 0.452 4.466 162 2HE LYS 21 2HE LYS 21 8.347 0.918 3.808 163 1HZ LYS 21 1HZ LYS 21 8.384 2.609 5.691 164 2HZ LYS 21 2HZ LYS 21 8.629 0.987 6.103 165 3HZ LYS 21 3HZ LYS 21 7.126 1.712 6.378 166 H VAL 22 H VAL 22 3.868 -0.583 2.195 167 HA VAL 22 HA VAL 22 1.480 -1.651 3.470 168 HB VAL 22 HB VAL 22 3.223 -2.832 1.302 169 1HG1 VAL 22 1HG1 VAL 22 2.200 -4.694 2.175 170 2HG1 VAL 22 2HG1 VAL 22 0.772 -3.799 2.698 171 3HG1 VAL 22 3HG1 VAL 22 0.998 -4.181 0.991 172 1HG2 VAL 22 1HG2 VAL 22 0.457 -1.727 0.952 173 2HG2 VAL 22 2HG2 VAL 22 1.878 -0.688 0.844 174 3HG2 VAL 22 3HG2 VAL 22 1.689 -2.042 -0.270 175 H ALA 23 H ALA 23 2.162 -2.070 5.575 176 HA ALA 23 HA ALA 23 4.176 -4.207 5.845 177 1HB ALA 23 1HB ALA 23 3.885 -3.066 8.355 178 2HB ALA 23 2HB ALA 23 5.222 -2.816 7.232 179 3HB ALA 23 3HB ALA 23 3.861 -1.695 7.246 180 H GLY 24 H GLY 24 3.127 -6.084 6.067 181 1HA GLY 24 2HA GLY 24 0.504 -6.275 7.201 182 2HA GLY 24 3HA GLY 24 1.526 -7.617 6.707 183 H GLN 25 H GLN 25 -0.148 -6.959 9.176 184 HA GLN 25 HA GLN 25 1.520 -6.595 11.388 185 1HB GLN 25 1HB GLN 25 -0.295 -7.314 12.722 186 2HB GLN 25 2HB GLN 25 -1.017 -6.532 11.322 187 1HG GLN 25 1HG GLN 25 -1.006 -9.012 10.397 188 2HG GLN 25 2HG GLN 25 -1.022 -9.385 12.120 189 1HE2 GLN 25 1HE2 GLN 25 -3.116 -10.338 11.494 190 2HE2 GLN 25 2HE2 GLN 25 -4.511 -9.318 11.506 191 H ASP 26 H ASP 26 1.124 -9.295 9.320 192 HA ASP 26 HA ASP 26 2.041 -11.272 11.202 193 1HB ASP 26 1HB ASP 26 0.563 -11.969 9.413 194 2HB ASP 26 2HB ASP 26 1.688 -11.365 8.200 195 H GLY 27 H GLY 27 3.444 -10.428 8.039 196 1HA GLY 27 2HA GLY 27 6.000 -9.771 9.164 197 2HA GLY 27 3HA GLY 27 5.978 -11.378 8.454 198 H SER 28 H SER 28 4.515 -8.285 7.467 199 HA SER 28 HA SER 28 6.005 -8.504 4.935 200 1HB SER 28 1HB SER 28 3.093 -7.973 5.406 201 2HB SER 28 2HB SER 28 3.886 -7.269 3.997 202 HG SER 28 HG SER 28 4.286 -9.264 3.209 203 H VAL 29 H VAL 29 6.467 -6.504 3.864 204 HA VAL 29 HA VAL 29 5.866 -3.964 4.879 205 HB VAL 29 HB VAL 29 7.173 -4.482 6.815 206 1HG1 VAL 29 1HG1 VAL 29 9.788 -4.866 5.786 207 2HG1 VAL 29 2HG1 VAL 29 8.812 -5.977 6.749 208 3HG1 VAL 29 3HG1 VAL 29 8.716 -6.018 4.988 209 1HG2 VAL 29 1HG2 VAL 29 9.218 -2.941 5.335 210 2HG2 VAL 29 2HG2 VAL 29 7.576 -2.299 5.316 211 3HG2 VAL 29 3HG2 VAL 29 8.398 -2.574 6.852 212 H VAL 30 H VAL 30 5.860 -3.001 2.952 213 HA VAL 30 HA VAL 30 8.348 -2.881 1.440 214 HB VAL 30 HB VAL 30 7.124 -4.764 0.434 215 1HG1 VAL 30 1HG1 VAL 30 4.992 -2.729 -0.209 216 2HG1 VAL 30 2HG1 VAL 30 5.008 -4.426 -0.693 217 3HG1 VAL 30 3HG1 VAL 30 4.853 -3.995 1.011 218 1HG2 VAL 30 1HG2 VAL 30 8.533 -3.082 -0.882 219 2HG2 VAL 30 2HG2 VAL 30 7.445 -4.125 -1.798 220 3HG2 VAL 30 3HG2 VAL 30 6.997 -2.450 -1.475 221 H GLN 31 H GLN 31 8.615 -0.996 0.300 222 HA GLN 31 HA GLN 31 6.761 1.138 0.946 223 1HB GLN 31 1HB GLN 31 9.372 1.251 -0.573 224 2HB GLN 31 2HB GLN 31 8.467 2.628 0.041 225 1HG GLN 31 1HG GLN 31 9.026 2.184 2.240 226 2HG GLN 31 2HG GLN 31 9.410 0.496 1.907 227 1HE2 GLN 31 1HE2 GLN 31 11.419 0.665 2.894 228 2HE2 GLN 31 2HE2 GLN 31 12.738 1.504 2.159 229 H PHE 32 H PHE 32 5.644 2.395 -0.528 230 HA PHE 32 HA PHE 32 5.798 1.767 -3.358 231 1HB PHE 32 1HB PHE 32 3.725 0.703 -1.638 232 2HB PHE 32 2HB PHE 32 3.038 1.742 -2.883 233 HD1 PHE 32 1HD PHE 32 3.107 1.123 -5.198 234 HD2 PHE 32 2HD PHE 32 4.931 -1.328 -2.234 235 HE1 PHE 32 1HE PHE 32 3.292 -0.709 -6.831 236 HE2 PHE 32 2HE PHE 32 5.120 -3.163 -3.862 237 HZ PHE 32 HZ PHE 32 4.301 -2.854 -6.164 238 H LYS 33 H LYS 33 4.576 3.271 -4.687 239 HA LYS 33 HA LYS 33 3.906 5.777 -3.293 240 1HB LYS 33 1HB LYS 33 6.151 5.812 -4.467 241 2HB LYS 33 2HB LYS 33 5.274 5.638 -5.981 242 1HG LYS 33 1HG LYS 33 4.833 7.807 -6.054 243 2HG LYS 33 2HG LYS 33 4.177 7.790 -4.416 244 1HD LYS 33 1HD LYS 33 6.705 7.692 -3.732 245 2HD LYS 33 2HD LYS 33 6.956 8.361 -5.346 246 1HE LYS 33 1HE LYS 33 5.444 10.210 -4.811 247 2HE LYS 33 2HE LYS 33 5.190 9.538 -3.201 248 1HZ LYS 33 1HZ LYS 33 6.865 10.886 -2.640 249 2HZ LYS 33 2HZ LYS 33 7.413 11.063 -4.230 250 3HZ LYS 33 3HZ LYS 33 7.868 9.708 -3.325 251 H ILE 34 H ILE 34 2.189 6.948 -4.099 252 HA ILE 34 HA ILE 34 0.894 6.178 -6.562 253 HB ILE 34 HB ILE 34 0.087 4.589 -4.683 254 1HG1 ILE 34 1HG1 ILE 34 -2.359 5.730 -5.752 255 2HG1 ILE 34 2HG1 ILE 34 -1.102 5.638 -6.981 256 1HG2 ILE 34 1HG2 ILE 34 -0.288 6.768 -3.234 257 2HG2 ILE 34 2HG2 ILE 34 -1.866 6.725 -4.019 258 3HG2 ILE 34 3HG2 ILE 34 -1.322 5.351 -3.057 259 1HD1 ILE 34 1HD1 ILE 34 -1.040 3.185 -5.640 260 2HD1 ILE 34 2HD1 ILE 34 -2.744 3.560 -5.900 261 3HD1 ILE 34 3HD1 ILE 34 -1.632 3.514 -7.268 262 H LYS 35 H LYS 35 -0.959 7.567 -7.069 263 HA LYS 35 HA LYS 35 -0.480 10.269 -6.119 264 1HB LYS 35 1HB LYS 35 -2.352 9.245 -8.263 265 2HB LYS 35 2HB LYS 35 -2.004 10.938 -7.932 266 1HG LYS 35 1HG LYS 35 -0.488 10.713 -9.558 267 2HG LYS 35 2HG LYS 35 0.496 9.955 -8.304 268 1HD LYS 35 1HD LYS 35 0.536 8.503 -10.185 269 2HD LYS 35 2HD LYS 35 -0.521 7.756 -8.985 270 1HE LYS 35 1HE LYS 35 -2.407 9.017 -10.258 271 2HE LYS 35 2HE LYS 35 -1.227 9.097 -11.565 272 1HZ LYS 35 1HZ LYS 35 -2.910 7.029 -11.088 273 2HZ LYS 35 2HZ LYS 35 -1.461 6.480 -10.409 274 3HZ LYS 35 3HZ LYS 35 -1.509 6.951 -12.033 275 H ARG 36 H ARG 36 -2.764 11.578 -6.190 276 HA ARG 36 HA ARG 36 -4.076 10.801 -3.793 277 1HB ARG 36 1HB ARG 36 -4.174 13.059 -5.665 278 2HB ARG 36 2HB ARG 36 -5.719 12.694 -4.908 279 1HG ARG 36 1HG ARG 36 -4.426 12.718 -2.698 280 2HG ARG 36 2HG ARG 36 -3.144 13.511 -3.616 281 1HD ARG 36 1HD ARG 36 -4.961 15.145 -4.379 282 2HD ARG 36 2HD ARG 36 -5.936 14.473 -3.072 283 HE ARG 36 HE ARG 36 -3.604 15.144 -1.856 284 1HH1 ARG 36 2HH1 ARG 36 -5.873 16.864 -3.860 285 2HH1 ARG 36 1HH1 ARG 36 -5.560 18.400 -3.122 286 1HH2 ARG 36 2HH2 ARG 36 -3.183 17.161 -0.876 287 2HH2 ARG 36 1HH2 ARG 36 -4.029 18.568 -1.425 288 H HIS 37 H HIS 37 -5.370 11.200 -7.097 289 HA HIS 37 HA HIS 37 -7.591 9.429 -6.393 290 1HB HIS 37 1HB HIS 37 -8.233 11.522 -7.427 291 2HB HIS 37 2HB HIS 37 -7.143 11.232 -8.780 292 HD1 HIS 37 1HD HIS 37 -8.277 10.371 -10.791 293 HD2 HIS 37 2HD HIS 37 -10.298 9.314 -7.319 294 HE1 HIS 37 1HE HIS 37 -10.328 9.134 -11.558 295 H THR 38 H THR 38 -6.268 7.513 -6.387 296 HA THR 38 HA THR 38 -5.967 6.406 -9.082 297 HB THR 38 HB THR 38 -3.818 6.355 -6.960 298 HG1 THR 38 1HG THR 38 -4.067 7.449 -9.558 299 1HG2 THR 38 1HG2 THR 38 -2.568 4.872 -8.452 300 2HG2 THR 38 2HG2 THR 38 -3.946 4.806 -9.551 301 3HG2 THR 38 3HG2 THR 38 -4.074 4.119 -7.932 302 HA PRO 39 HA PRO 39 -8.139 3.074 -7.137 303 1HB PRO 39 1HB PRO 39 -7.907 1.286 -9.167 304 2HB PRO 39 2HB PRO 39 -9.025 2.654 -9.215 305 1HG PRO 39 1HG PRO 39 -6.316 2.378 -10.459 306 2HG PRO 39 2HG PRO 39 -7.798 3.066 -11.147 307 1HD PRO 39 1HD PRO 39 -5.809 4.603 -10.142 308 2HD PRO 39 2HD PRO 39 -7.517 5.080 -10.063 309 H LEU 40 H LEU 40 -7.277 1.885 -5.562 310 HA LEU 40 HA LEU 40 -4.634 1.103 -5.327 311 1HB LEU 40 1HB LEU 40 -7.063 -0.230 -4.139 312 2HB LEU 40 2HB LEU 40 -5.403 -0.453 -3.591 313 HG LEU 40 HG LEU 40 -5.636 2.229 -3.357 314 1HD1 LEU 40 1HD1 LEU 40 -7.727 2.956 -3.302 315 2HD1 LEU 40 2HD1 LEU 40 -8.140 1.764 -2.070 316 3HD1 LEU 40 3HD1 LEU 40 -8.280 1.350 -3.779 317 1HD2 LEU 40 1HD2 LEU 40 -6.285 0.032 -1.411 318 2HD2 LEU 40 2HD2 LEU 40 -6.198 1.728 -0.932 319 3HD2 LEU 40 3HD2 LEU 40 -4.775 0.924 -1.597 320 H SER 41 H SER 41 -7.091 -0.241 -7.274 321 HA SER 41 HA SER 41 -6.604 -2.906 -7.457 322 1HB SER 41 1HB SER 41 -7.271 -0.853 -9.534 323 2HB SER 41 2HB SER 41 -6.947 -2.513 -10.034 324 HG SER 41 HG SER 41 -8.815 -3.086 -9.265 325 H LYS 42 H LYS 42 -4.764 -0.380 -9.160 326 HA LYS 42 HA LYS 42 -2.963 -1.948 -10.527 327 1HB LYS 42 1HB LYS 42 -2.433 0.701 -9.168 328 2HB LYS 42 2HB LYS 42 -1.413 -0.022 -10.405 329 1HG LYS 42 1HG LYS 42 -3.160 0.175 -12.040 330 2HG LYS 42 2HG LYS 42 -4.298 0.736 -10.812 331 1HD LYS 42 1HD LYS 42 -2.214 2.494 -10.532 332 2HD LYS 42 2HD LYS 42 -2.230 2.202 -12.273 333 1HE LYS 42 1HE LYS 42 -4.512 3.170 -10.559 334 2HE LYS 42 2HE LYS 42 -3.646 4.080 -11.795 335 1HZ LYS 42 1HZ LYS 42 -4.459 2.328 -13.396 336 2HZ LYS 42 2HZ LYS 42 -5.634 3.382 -12.788 337 3HZ LYS 42 3HZ LYS 42 -5.508 1.811 -12.173 338 H LEU 43 H LEU 43 -2.834 -0.909 -7.150 339 HA LEU 43 HA LEU 43 -0.269 -2.016 -6.621 340 1HB LEU 43 1HB LEU 43 -2.385 -0.683 -5.135 341 2HB LEU 43 2HB LEU 43 -1.593 -1.950 -4.199 342 HG LEU 43 HG LEU 43 0.529 -0.866 -4.398 343 1HD1 LEU 43 1HD1 LEU 43 0.813 0.070 -6.441 344 2HD1 LEU 43 2HD1 LEU 43 0.347 1.525 -5.562 345 3HD1 LEU 43 3HD1 LEU 43 -0.847 0.660 -6.528 346 1HD2 LEU 43 1HD2 LEU 43 -1.403 0.045 -2.854 347 2HD2 LEU 43 2HD2 LEU 43 -1.233 1.475 -3.873 348 3HD2 LEU 43 3HD2 LEU 43 0.151 0.871 -2.960 349 H MET 44 H MET 44 -3.370 -3.039 -5.194 350 HA MET 44 HA MET 44 -2.651 -5.482 -4.249 351 1HB MET 44 1HB MET 44 -4.988 -6.171 -4.486 352 2HB MET 44 2HB MET 44 -4.873 -4.512 -3.914 353 1HG MET 44 1HG MET 44 -5.303 -3.717 -6.199 354 2HG MET 44 2HG MET 44 -5.478 -5.388 -6.727 355 1HE MET 44 1HE MET 44 -7.339 -6.578 -4.013 356 2HE MET 44 2HE MET 44 -8.676 -6.624 -5.163 357 3HE MET 44 3HE MET 44 -7.041 -7.016 -5.696 358 H LYS 45 H LYS 45 -3.501 -4.686 -7.580 359 HA LYS 45 HA LYS 45 -3.684 -7.203 -8.693 360 1HB LYS 45 1HB LYS 45 -2.825 -4.539 -9.722 361 2HB LYS 45 2HB LYS 45 -2.531 -5.948 -10.733 362 1HG LYS 45 1HG LYS 45 -5.243 -5.706 -9.602 363 2HG LYS 45 2HG LYS 45 -4.787 -4.507 -10.814 364 1HD LYS 45 1HD LYS 45 -5.007 -5.993 -12.459 365 2HD LYS 45 2HD LYS 45 -3.963 -7.148 -11.627 366 1HE LYS 45 1HE LYS 45 -5.826 -8.398 -11.511 367 2HE LYS 45 2HE LYS 45 -6.235 -7.345 -10.157 368 1HZ LYS 45 1HZ LYS 45 -7.089 -6.938 -12.973 369 2HZ LYS 45 2HZ LYS 45 -7.495 -5.946 -11.664 370 3HZ LYS 45 3HZ LYS 45 -8.064 -7.538 -11.727 371 H ALA 46 H ALA 46 -0.731 -5.206 -8.851 372 HA ALA 46 HA ALA 46 0.965 -7.300 -9.619 373 1HB ALA 46 1HB ALA 46 1.324 -4.546 -8.607 374 2HB ALA 46 2HB ALA 46 2.708 -5.630 -8.465 375 3HB ALA 46 3HB ALA 46 1.986 -5.325 -10.045 376 H TYR 47 H TYR 47 0.215 -5.977 -6.419 377 HA TYR 47 HA TYR 47 2.043 -7.292 -4.853 378 1HB TYR 47 1HB TYR 47 0.359 -5.641 -4.046 379 2HB TYR 47 2HB TYR 47 -0.872 -6.895 -4.149 380 HD1 TYR 47 1HD TYR 47 -1.502 -7.136 -1.898 381 HD2 TYR 47 2HD TYR 47 2.620 -7.270 -2.944 382 HE1 TYR 47 1HE TYR 47 -0.953 -7.866 0.385 383 HE2 TYR 47 2HE TYR 47 3.180 -8.001 -0.663 384 HH TYR 47 HH TYR 47 0.784 -8.993 1.590 385 H CYS 48 H CYS 48 -1.299 -8.487 -5.148 386 HA CYS 48 HA CYS 48 -0.856 -11.030 -4.183 387 1HB CYS 48 1HB CYS 48 -2.843 -10.171 -6.297 388 2HB CYS 48 2HB CYS 48 -2.912 -11.687 -5.406 389 HG CYS 48 HG CYS 48 -4.570 -10.647 -3.740 390 H GLU 49 H GLU 49 -0.319 -9.776 -7.413 391 HA GLU 49 HA GLU 49 -0.074 -12.089 -8.888 392 1HB GLU 49 1HB GLU 49 0.231 -9.554 -9.526 393 2HB GLU 49 2HB GLU 49 1.935 -9.907 -9.274 394 1HG GLU 49 1HG GLU 49 1.408 -10.143 -11.600 395 2HG GLU 49 2HG GLU 49 1.773 -11.729 -10.923 396 H ARG 50 H ARG 50 2.179 -10.698 -6.590 397 HA ARG 50 HA ARG 50 4.027 -12.937 -7.079 398 1HB ARG 50 1HB ARG 50 5.785 -11.595 -6.164 399 2HB ARG 50 2HB ARG 50 4.929 -10.614 -7.346 400 1HG ARG 50 1HG ARG 50 4.506 -9.062 -5.828 401 2HG ARG 50 2HG ARG 50 3.763 -10.250 -4.755 402 1HD ARG 50 1HD ARG 50 6.683 -9.534 -4.949 403 2HD ARG 50 2HD ARG 50 5.593 -9.215 -3.600 404 HE ARG 50 HE ARG 50 5.533 -11.923 -3.885 405 1HH1 ARG 50 2HH1 ARG 50 8.052 -9.562 -3.436 406 2HH1 ARG 50 1HH1 ARG 50 9.097 -10.648 -2.581 407 1HH2 ARG 50 2HH2 ARG 50 6.900 -13.362 -2.760 408 2HH2 ARG 50 1HH2 ARG 50 8.441 -12.809 -2.197 409 H GLN 51 H GLN 51 1.808 -11.605 -4.864 410 HA GLN 51 HA GLN 51 2.710 -13.508 -2.807 411 1HB GLN 51 1HB GLN 51 1.986 -10.631 -2.554 412 2HB GLN 51 2HB GLN 51 1.501 -11.713 -1.255 413 1HG GLN 51 1HG GLN 51 4.318 -11.427 -2.272 414 2HG GLN 51 2HG GLN 51 3.667 -10.584 -0.868 415 1HE2 GLN 51 1HE2 GLN 51 4.980 -13.492 -2.078 416 2HE2 GLN 51 2HE2 GLN 51 4.924 -14.399 -0.609 417 H GLY 52 H GLY 52 0.952 -14.385 -4.630 418 1HA GLY 52 2HA GLY 52 -1.774 -13.893 -3.834 419 2HA GLY 52 3HA GLY 52 -1.227 -15.073 -5.017 420 H LEU 53 H LEU 53 -1.150 -14.482 -1.505 421 HA LEU 53 HA LEU 53 -1.065 -17.347 -1.010 422 1HB LEU 53 1HB LEU 53 -1.223 -15.146 1.031 423 2HB LEU 53 2HB LEU 53 -0.677 -16.804 1.269 424 HG LEU 53 HG LEU 53 0.820 -14.971 -0.565 425 1HD1 LEU 53 1HD1 LEU 53 0.732 -14.899 2.408 426 2HD1 LEU 53 2HD1 LEU 53 0.939 -13.586 1.250 427 3HD1 LEU 53 3HD1 LEU 53 2.283 -14.673 1.598 428 1HD2 LEU 53 1HD2 LEU 53 2.630 -16.499 0.709 429 2HD2 LEU 53 2HD2 LEU 53 1.825 -16.980 -0.785 430 3HD2 LEU 53 3HD2 LEU 53 1.230 -17.570 0.767 431 H SER 54 H SER 54 -3.223 -14.597 -0.476 432 HA SER 54 HA SER 54 -5.515 -16.341 -0.484 433 1HB SER 54 1HB SER 54 -4.671 -14.906 2.033 434 2HB SER 54 2HB SER 54 -6.337 -15.411 1.749 435 HG SER 54 HG SER 54 -5.791 -17.409 2.133 436 H MET 55 H MET 55 -5.842 -14.981 -2.355 437 HA MET 55 HA MET 55 -6.092 -12.201 -2.290 438 1HB MET 55 1HB MET 55 -6.989 -12.357 -4.421 439 2HB MET 55 2HB MET 55 -6.091 -13.864 -4.294 440 1HG MET 55 1HG MET 55 -9.043 -13.584 -3.787 441 2HG MET 55 2HG MET 55 -8.327 -14.118 -5.306 442 1HE MET 55 1HE MET 55 -6.798 -15.829 -5.571 443 2HE MET 55 2HE MET 55 -6.256 -17.007 -4.376 444 3HE MET 55 3HE MET 55 -7.687 -17.336 -5.354 445 H ARG 56 H ARG 56 -8.158 -14.658 -1.064 446 HA ARG 56 HA ARG 56 -10.441 -12.843 -0.871 447 1HB ARG 56 1HB ARG 56 -10.609 -15.314 -1.568 448 2HB ARG 56 2HB ARG 56 -10.353 -15.678 0.133 449 1HG ARG 56 1HG ARG 56 -12.356 -14.530 0.751 450 2HG ARG 56 2HG ARG 56 -12.569 -13.920 -0.892 451 1HD ARG 56 1HD ARG 56 -14.051 -15.811 -0.441 452 2HD ARG 56 2HD ARG 56 -12.885 -16.193 -1.708 453 HE ARG 56 HE ARG 56 -11.719 -17.092 0.592 454 1HH1 ARG 56 2HH1 ARG 56 -14.754 -17.656 -1.019 455 2HH1 ARG 56 1HH1 ARG 56 -14.912 -19.279 -0.433 456 1HH2 ARG 56 2HH2 ARG 56 -11.916 -19.227 1.369 457 2HH2 ARG 56 1HH2 ARG 56 -13.298 -20.171 0.926 458 H GLN 57 H GLN 57 -7.791 -12.868 0.738 459 HA GLN 57 HA GLN 57 -9.094 -12.483 3.340 460 1HB GLN 57 1HB GLN 57 -7.738 -14.688 3.074 461 2HB GLN 57 2HB GLN 57 -6.330 -13.640 3.182 462 1HG GLN 57 1HG GLN 57 -6.688 -13.144 5.377 463 2HG GLN 57 2HG GLN 57 -8.431 -13.378 5.260 464 1HE2 GLN 57 1HE2 GLN 57 -5.529 -14.700 6.273 465 2HE2 GLN 57 2HE2 GLN 57 -6.069 -16.312 6.577 466 H ILE 58 H ILE 58 -6.151 -11.933 1.426 467 HA ILE 58 HA ILE 58 -5.074 -9.881 2.996 468 HB ILE 58 HB ILE 58 -4.807 -10.212 0.006 469 1HG1 ILE 58 1HG1 ILE 58 -3.154 -11.353 2.270 470 2HG1 ILE 58 2HG1 ILE 58 -4.197 -12.266 1.185 471 1HG2 ILE 58 1HG2 ILE 58 -3.443 -8.462 0.039 472 2HG2 ILE 58 2HG2 ILE 58 -3.880 -8.192 1.726 473 3HG2 ILE 58 3HG2 ILE 58 -2.482 -9.191 1.326 474 1HD1 ILE 58 1HD1 ILE 58 -2.450 -10.860 -0.474 475 2HD1 ILE 58 2HD1 ILE 58 -1.462 -11.474 0.853 476 3HD1 ILE 58 3HD1 ILE 58 -2.436 -12.585 -0.109 477 H ARG 59 H ARG 59 -5.612 -7.818 3.291 478 HA ARG 59 HA ARG 59 -7.044 -6.340 1.249 479 1HB ARG 59 1HB ARG 59 -8.235 -6.963 3.948 480 2HB ARG 59 2HB ARG 59 -8.761 -5.594 2.978 481 1HG ARG 59 1HG ARG 59 -8.861 -8.482 2.131 482 2HG ARG 59 2HG ARG 59 -10.228 -7.525 2.704 483 1HD ARG 59 1HD ARG 59 -9.820 -5.949 0.812 484 2HD ARG 59 2HD ARG 59 -8.602 -7.072 0.208 485 HE ARG 59 HE ARG 59 -10.910 -8.547 0.529 486 1HH1 ARG 59 2HH1 ARG 59 -9.898 -5.773 -1.316 487 2HH1 ARG 59 1HH1 ARG 59 -10.986 -6.085 -2.628 488 1HH2 ARG 59 2HH2 ARG 59 -12.348 -8.968 -1.191 489 2HH2 ARG 59 1HH2 ARG 59 -12.380 -7.902 -2.555 490 H PHE 60 H PHE 60 -7.618 -4.052 2.322 491 HA PHE 60 HA PHE 60 -5.107 -3.148 3.556 492 1HB PHE 60 1HB PHE 60 -7.022 -1.904 1.635 493 2HB PHE 60 2HB PHE 60 -6.137 -0.846 2.728 494 HD1 PHE 60 1HD PHE 60 -3.541 -1.326 2.839 495 HD2 PHE 60 2HD PHE 60 -6.087 -2.396 -0.400 496 HE1 PHE 60 1HE PHE 60 -1.593 -1.402 1.337 497 HE2 PHE 60 2HE PHE 60 -4.143 -2.475 -1.906 498 HZ PHE 60 HZ PHE 60 -1.892 -1.979 -1.038 499 H ARG 61 H ARG 61 -5.105 -2.243 5.520 500 HA ARG 61 HA ARG 61 -7.537 -1.109 6.633 501 1HB ARG 61 1HB ARG 61 -6.285 -3.643 7.587 502 2HB ARG 61 2HB ARG 61 -6.934 -2.534 8.788 503 1HG ARG 61 1HG ARG 61 -9.046 -2.586 7.233 504 2HG ARG 61 2HG ARG 61 -8.348 -4.119 6.708 505 1HD ARG 61 1HD ARG 61 -9.213 -3.316 9.474 506 2HD ARG 61 2HD ARG 61 -9.835 -4.631 8.477 507 HE ARG 61 HE ARG 61 -7.140 -5.135 8.887 508 1HH1 ARG 61 2HH1 ARG 61 -10.035 -4.841 10.798 509 2HH1 ARG 61 1HH1 ARG 61 -9.493 -5.938 12.025 510 1HH2 ARG 61 2HH2 ARG 61 -6.415 -6.580 10.496 511 2HH2 ARG 61 1HH2 ARG 61 -7.433 -6.926 11.853 512 H PHE 62 H PHE 62 -7.053 0.686 7.711 513 HA PHE 62 HA PHE 62 -4.269 1.089 8.561 514 1HB PHE 62 1HB PHE 62 -5.245 2.682 6.885 515 2HB PHE 62 2HB PHE 62 -6.392 3.195 8.119 516 HD1 PHE 62 1HD PHE 62 -5.886 5.149 9.189 517 HD2 PHE 62 2HD PHE 62 -2.705 2.669 7.833 518 HE1 PHE 62 1HE PHE 62 -4.255 6.792 10.023 519 HE2 PHE 62 2HE PHE 62 -1.068 4.307 8.665 520 HZ PHE 62 HZ PHE 62 -1.842 6.371 9.762 521 H ASP 63 H ASP 63 -3.902 2.308 10.544 522 HA ASP 63 HA ASP 63 -5.525 1.305 12.684 523 1HB ASP 63 1HB ASP 63 -3.226 3.269 12.784 524 2HB ASP 63 2HB ASP 63 -3.912 2.402 14.155 525 H GLY 64 H GLY 64 -7.377 2.598 11.478 526 1HA GLY 64 2HA GLY 64 -8.173 4.654 13.268 527 2HA GLY 64 3HA GLY 64 -7.658 5.348 11.738 528 H GLN 65 H GLN 65 -8.588 3.125 10.129 529 HA GLN 65 HA GLN 65 -11.355 2.681 10.581 530 1HB GLN 65 1HB GLN 65 -10.555 5.075 9.064 531 2HB GLN 65 2HB GLN 65 -11.750 4.063 8.264 532 1HG GLN 65 1HG GLN 65 -12.876 4.164 10.664 533 2HG GLN 65 2HG GLN 65 -11.972 5.676 10.735 534 1HE2 GLN 65 1HE2 GLN 65 -13.848 6.907 10.728 535 2HE2 GLN 65 2HE2 GLN 65 -14.813 7.108 9.309 536 HA PRO 66 HA PRO 66 -10.710 -0.450 7.579 537 1HB PRO 66 1HB PRO 66 -13.152 -0.652 6.409 538 2HB PRO 66 2HB PRO 66 -12.826 -1.210 8.055 539 1HG PRO 66 1HG PRO 66 -14.091 1.342 7.136 540 2HG PRO 66 2HG PRO 66 -14.569 0.273 8.467 541 1HD PRO 66 1HD PRO 66 -13.176 2.561 8.864 542 2HD PRO 66 2HD PRO 66 -12.973 1.129 9.894 543 H ILE 67 H ILE 67 -11.155 -0.985 5.176 544 HA ILE 67 HA ILE 67 -10.980 1.448 3.533 545 HB ILE 67 HB ILE 67 -9.250 -0.982 3.086 546 1HG1 ILE 67 1HG1 ILE 67 -8.625 0.144 5.189 547 2HG1 ILE 67 2HG1 ILE 67 -7.384 0.338 3.956 548 1HG2 ILE 67 1HG2 ILE 67 -9.932 1.254 1.479 549 2HG2 ILE 67 2HG2 ILE 67 -8.233 1.399 1.926 550 3HG2 ILE 67 3HG2 ILE 67 -8.811 -0.058 1.119 551 1HD1 ILE 67 1HD1 ILE 67 -8.593 2.332 5.474 552 2HD1 ILE 67 2HD1 ILE 67 -7.513 2.540 4.094 553 3HD1 ILE 67 3HD1 ILE 67 -9.260 2.511 3.852 554 H ASN 68 H ASN 68 -12.348 1.440 1.878 555 HA ASN 68 HA ASN 68 -13.643 -1.086 1.146 556 1HB ASN 68 1HB ASN 68 -14.452 1.779 1.071 557 2HB ASN 68 2HB ASN 68 -15.120 0.716 -0.164 558 1HD2 ASN 68 1HD2 ASN 68 -16.960 1.721 1.313 559 2HD2 ASN 68 2HD2 ASN 68 -17.536 0.635 2.528 560 H GLU 69 H GLU 69 -13.919 -1.680 -1.047 561 HA GLU 69 HA GLU 69 -11.666 -1.428 -2.660 562 1HB GLU 69 1HB GLU 69 -13.027 -2.434 -4.442 563 2HB GLU 69 2HB GLU 69 -13.251 -3.262 -2.907 564 1HG GLU 69 1HG GLU 69 -15.301 -1.717 -2.639 565 2HG GLU 69 2HG GLU 69 -15.138 -1.473 -4.377 566 H THR 70 H THR 70 -14.594 0.491 -2.530 567 HA THR 70 HA THR 70 -13.743 2.069 -4.842 568 HB THR 70 HB THR 70 -16.119 1.366 -4.695 569 HG1 THR 70 1HG THR 70 -16.818 3.294 -5.458 570 1HG2 THR 70 1HG2 THR 70 -17.099 3.284 -2.856 571 2HG2 THR 70 2HG2 THR 70 -15.851 2.351 -2.030 572 3HG2 THR 70 3HG2 THR 70 -17.224 1.528 -2.769 573 H ASP 71 H ASP 71 -12.319 2.151 -2.269 574 HA ASP 71 HA ASP 71 -12.778 4.974 -1.559 575 1HB ASP 71 1HB ASP 71 -12.817 2.830 0.140 576 2HB ASP 71 2HB ASP 71 -11.146 3.367 0.287 577 H THR 72 H THR 72 -11.095 6.392 -1.616 578 HA THR 72 HA THR 72 -8.552 5.351 -2.684 579 HB THR 72 HB THR 72 -8.351 7.910 -3.367 580 HG1 THR 72 1HG THR 72 -11.164 7.431 -3.369 581 1HG2 THR 72 1HG2 THR 72 -8.816 7.272 -5.541 582 2HG2 THR 72 2HG2 THR 72 -10.185 6.267 -5.065 583 3HG2 THR 72 3HG2 THR 72 -8.538 5.711 -4.769 584 HA PRO 73 HA PRO 73 -6.317 6.960 0.733 585 1HB PRO 73 1HB PRO 73 -4.055 7.891 -0.446 586 2HB PRO 73 2HB PRO 73 -4.407 6.168 -0.270 587 1HG PRO 73 1HG PRO 73 -4.767 7.940 -2.656 588 2HG PRO 73 2HG PRO 73 -4.124 6.289 -2.575 589 1HD PRO 73 1HD PRO 73 -6.662 6.827 -3.349 590 2HD PRO 73 2HD PRO 73 -6.222 5.341 -2.483 591 H ALA 74 H ALA 74 -7.003 9.079 -1.946 592 HA ALA 74 HA ALA 74 -6.115 11.489 -0.687 593 1HB ALA 74 1HB ALA 74 -6.297 11.218 -3.141 594 2HB ALA 74 2HB ALA 74 -8.053 11.180 -2.976 595 3HB ALA 74 3HB ALA 74 -7.157 12.633 -2.532 596 H GLN 75 H GLN 75 -9.044 9.623 -0.661 597 HA GLN 75 HA GLN 75 -10.515 11.782 0.657 598 1HB GLN 75 1HB GLN 75 -11.424 9.077 -0.339 599 2HB GLN 75 2HB GLN 75 -12.469 10.257 0.442 600 1HG GLN 75 1HG GLN 75 -12.063 11.835 -1.363 601 2HG GLN 75 2HG GLN 75 -10.980 10.680 -2.139 602 1HE2 GLN 75 1HE2 GLN 75 -12.065 10.279 -3.976 603 2HE2 GLN 75 2HE2 GLN 75 -13.653 9.603 -4.050 604 H LEU 76 H LEU 76 -8.321 9.790 1.703 605 HA LEU 76 HA LEU 76 -9.757 9.151 4.195 606 1HB LEU 76 1HB LEU 76 -8.038 7.486 2.486 607 2HB LEU 76 2HB LEU 76 -7.689 7.396 4.211 608 HG LEU 76 HG LEU 76 -10.183 6.886 4.499 609 1HD1 LEU 76 1HD1 LEU 76 -10.317 7.488 1.847 610 2HD1 LEU 76 2HD1 LEU 76 -11.511 6.539 2.732 611 3HD1 LEU 76 3HD1 LEU 76 -10.244 5.726 1.813 612 1HD2 LEU 76 1HD2 LEU 76 -9.826 4.526 4.102 613 2HD2 LEU 76 2HD2 LEU 76 -8.365 5.249 4.776 614 3HD2 LEU 76 3HD2 LEU 76 -8.454 4.883 3.052 615 H GLU 77 H GLU 77 -7.439 11.037 2.817 616 HA GLU 77 HA GLU 77 -5.668 12.255 3.578 617 1HB GLU 77 1HB GLU 77 -7.068 11.883 6.232 618 2HB GLU 77 2HB GLU 77 -5.872 13.116 5.861 619 1HG GLU 77 1HG GLU 77 -7.334 14.384 4.684 620 2HG GLU 77 2HG GLU 77 -8.262 12.995 4.124 621 H MET 78 H MET 78 -5.055 9.579 3.276 622 HA MET 78 HA MET 78 -3.386 8.961 5.618 623 1HB MET 78 1HB MET 78 -3.227 6.669 4.520 624 2HB MET 78 2HB MET 78 -4.792 7.116 5.184 625 1HG MET 78 1HG MET 78 -5.567 7.720 2.946 626 2HG MET 78 2HG MET 78 -4.000 7.258 2.285 627 1HE MET 78 1HE MET 78 -3.553 5.087 1.301 628 2HE MET 78 2HE MET 78 -3.029 4.626 2.920 629 3HE MET 78 3HE MET 78 -4.058 3.541 1.984 630 H GLU 79 H GLU 79 -1.970 10.720 4.721 631 HA GLU 79 HA GLU 79 -0.136 9.586 2.713 632 1HB GLU 79 1HB GLU 79 -0.335 12.542 3.077 633 2HB GLU 79 2HB GLU 79 0.121 11.618 1.652 634 1HG GLU 79 1HG GLU 79 -2.204 10.968 1.319 635 2HG GLU 79 2HG GLU 79 -2.667 11.878 2.756 636 H ASP 80 H ASP 80 1.888 11.446 2.909 637 HA ASP 80 HA ASP 80 3.742 11.995 4.108 638 1HB ASP 80 1HB ASP 80 1.746 12.921 5.631 639 2HB ASP 80 2HB ASP 80 2.375 11.698 6.733 640 H GLU 81 H GLU 81 3.667 9.438 3.329 641 HA GLU 81 HA GLU 81 4.629 7.408 3.686 642 1HB GLU 81 1HB GLU 81 5.657 8.498 6.303 643 2HB GLU 81 2HB GLU 81 6.344 7.206 5.329 644 1HG GLU 81 1HG GLU 81 6.875 8.841 3.572 645 2HG GLU 81 2HG GLU 81 6.240 10.124 4.600 646 H ASP 82 H ASP 82 1.980 7.618 4.357 647 HA ASP 82 HA ASP 82 1.404 6.662 6.975 648 1HB ASP 82 1HB ASP 82 -0.089 7.693 4.908 649 2HB ASP 82 2HB ASP 82 -0.559 5.995 4.901 650 H THR 83 H THR 83 1.231 4.634 7.752 651 HA THR 83 HA THR 83 1.989 2.447 5.940 652 HB THR 83 HB THR 83 2.039 2.385 8.958 653 HG1 THR 83 1HG THR 83 4.280 2.830 8.725 654 1HG2 THR 83 1HG2 THR 83 2.054 0.259 7.449 655 2HG2 THR 83 2HG2 THR 83 3.211 0.393 8.773 656 3HG2 THR 83 3HG2 THR 83 3.721 0.728 7.119 657 H ILE 84 H ILE 84 0.299 1.349 5.190 658 HA ILE 84 HA ILE 84 -2.084 1.042 6.863 659 HB ILE 84 HB ILE 84 -1.786 0.212 3.981 660 1HG1 ILE 84 1HG1 ILE 84 -3.270 2.503 3.915 661 2HG1 ILE 84 2HG1 ILE 84 -2.108 2.885 5.181 662 1HG2 ILE 84 1HG2 ILE 84 -4.320 0.665 4.120 663 2HG2 ILE 84 2HG2 ILE 84 -3.686 -0.812 4.844 664 3HG2 ILE 84 3HG2 ILE 84 -4.087 0.569 5.865 665 1HD1 ILE 84 1HD1 ILE 84 -0.371 2.019 3.438 666 2HD1 ILE 84 2HD1 ILE 84 -1.659 2.376 2.287 667 3HD1 ILE 84 3HD1 ILE 84 -1.023 3.653 3.322 668 H ASP 85 H ASP 85 -2.088 -0.687 8.136 669 HA ASP 85 HA ASP 85 -0.469 -2.951 7.836 670 1HB ASP 85 1HB ASP 85 -2.823 -2.236 9.508 671 2HB ASP 85 2HB ASP 85 -2.416 -3.944 9.379 672 H VAL 86 H VAL 86 -0.550 -4.454 6.315 673 HA VAL 86 HA VAL 86 -3.075 -4.978 4.933 674 HB VAL 86 HB VAL 86 -0.708 -4.571 3.822 675 1HG1 VAL 86 1HG1 VAL 86 -0.654 -7.553 3.823 676 2HG1 VAL 86 2HG1 VAL 86 0.649 -6.402 3.520 677 3HG1 VAL 86 3HG1 VAL 86 0.079 -6.677 5.167 678 1HG2 VAL 86 1HG2 VAL 86 -1.503 -5.661 1.846 679 2HG2 VAL 86 2HG2 VAL 86 -2.537 -6.734 2.789 680 3HG2 VAL 86 3HG2 VAL 86 -2.899 -5.010 2.705 681 H PHE 87 H PHE 87 -3.879 -7.091 4.639 682 HA PHE 87 HA PHE 87 -3.242 -8.879 6.855 683 1HB PHE 87 1HB PHE 87 -5.634 -8.103 5.967 684 2HB PHE 87 2HB PHE 87 -5.420 -9.504 4.922 685 HD1 PHE 87 1HD PHE 87 -6.394 -8.360 8.144 686 HD2 PHE 87 2HD PHE 87 -4.875 -11.736 6.044 687 HE1 PHE 87 1HE PHE 87 -7.142 -9.829 9.971 688 HE2 PHE 87 2HE PHE 87 -5.622 -13.210 7.866 689 HZ PHE 87 HZ PHE 87 -6.758 -12.257 9.833 690 H GLN 88 H GLN 88 -2.731 -11.065 6.585 691 HA GLN 88 HA GLN 88 -2.301 -12.130 3.931 692 1HB GLN 88 1HB GLN 88 -0.228 -10.725 4.813 693 2HB GLN 88 2HB GLN 88 0.109 -12.215 5.683 694 1HG GLN 88 1HG GLN 88 0.480 -13.419 3.752 695 2HG GLN 88 2HG GLN 88 -0.443 -12.297 2.753 696 1HE2 GLN 88 1HE2 GLN 88 2.583 -12.837 4.410 697 2HE2 GLN 88 2HE2 GLN 88 3.495 -11.655 3.542 698 H GLN 89 H GLN 89 -1.867 -14.396 3.922 699 HA GLN 89 HA GLN 89 -2.526 -15.705 6.478 700 1HB GLN 89 1HB GLN 89 -4.189 -15.809 4.505 701 2HB GLN 89 2HB GLN 89 -3.039 -16.922 3.776 702 1HG GLN 89 1HG GLN 89 -3.261 -18.431 5.654 703 2HG GLN 89 2HG GLN 89 -4.343 -17.299 6.462 704 1HE2 GLN 89 1HE2 GLN 89 -3.996 -19.577 3.859 705 2HE2 GLN 89 2HE2 GLN 89 -5.679 -19.735 3.503 706 H GLN 90 H GLN 90 0.122 -15.000 5.213 707 HA GLN 90 HA GLN 90 1.459 -17.432 5.880 708 1HB GLN 90 1HB GLN 90 0.601 -17.549 3.368 709 2HB GLN 90 2HB GLN 90 2.053 -16.599 3.081 710 1HG GLN 90 1HG GLN 90 3.437 -18.320 4.005 711 2HG GLN 90 2HG GLN 90 2.024 -19.243 4.513 712 1HE2 GLN 90 1HE2 GLN 90 0.864 -20.403 3.003 713 2HE2 GLN 90 2HE2 GLN 90 1.452 -20.709 1.408 714 H THR 91 H THR 91 3.863 -17.214 5.566 715 HA THR 91 HA THR 91 4.638 -14.513 6.322 716 HB THR 91 HB THR 91 5.489 -16.280 7.726 717 HG1 THR 91 1HG THR 91 6.906 -14.424 6.899 718 1HG2 THR 91 1HG2 THR 91 7.384 -17.557 6.028 719 2HG2 THR 91 2HG2 THR 91 5.796 -17.671 5.270 720 3HG2 THR 91 3HG2 THR 91 6.037 -18.277 6.908 721 H GLY 92 H GLY 92 5.463 -13.108 4.924 722 1HA GLY 92 2HA GLY 92 6.649 -14.161 2.432 723 2HA GLY 92 3HA GLY 92 5.811 -12.621 2.554 724 H GLY 93 H GLY 93 7.170 -12.114 5.190 725 1HA GLY 93 2HA GLY 93 9.978 -11.955 4.604 726 2HA GLY 93 3HA GLY 93 9.160 -10.411 4.410 727 H VAL 94 H VAL 94 9.079 -9.147 6.140 728 HA VAL 94 HA VAL 94 9.092 -10.381 8.806 729 HB VAL 94 HB VAL 94 10.642 -8.597 9.597 730 1HG1 VAL 94 1HG1 VAL 94 12.058 -10.110 7.447 731 2HG1 VAL 94 2HG1 VAL 94 12.539 -9.816 9.119 732 3HG1 VAL 94 3HG1 VAL 94 11.270 -10.987 8.758 733 1HG2 VAL 94 1HG2 VAL 94 11.915 -8.000 7.121 734 2HG2 VAL 94 2HG2 VAL 94 10.206 -7.583 6.988 735 3HG2 VAL 94 3HG2 VAL 94 11.184 -6.891 8.282 736 H TYR 95 H TYR 95 8.395 -8.899 10.522 737 HA TYR 95 HA TYR 95 6.325 -7.082 9.518 738 1HB TYR 95 1HB TYR 95 5.440 -7.242 11.873 739 2HB TYR 95 2HB TYR 95 5.438 -8.756 10.975 740 HD1 TYR 95 1HD TYR 95 7.082 -6.868 13.678 741 HD2 TYR 95 2HD TYR 95 6.796 -10.606 11.666 742 HE1 TYR 95 1HE TYR 95 8.358 -7.935 15.490 743 HE2 TYR 95 2HE TYR 95 8.070 -11.683 13.473 744 HH TYR 95 HH TYR 95 8.405 -10.966 16.169 Start of MODEL 16 1 1H MET 1 1H MET 1 18.036 -14.229 6.189 2 HA MET 1 HA MET 1 20.631 -12.898 6.336 3 1HB MET 1 1HB MET 1 19.650 -14.433 3.926 4 2HB MET 1 2HB MET 1 20.997 -13.302 3.893 5 1HG MET 1 1HG MET 1 22.047 -14.738 5.704 6 2HG MET 1 2HG MET 1 20.809 -15.931 5.320 7 1HE MET 1 1HE MET 1 23.842 -13.830 3.739 8 2HE MET 1 2HE MET 1 24.245 -15.071 4.925 9 3HE MET 1 3HE MET 1 24.718 -15.276 3.237 10 H ALA 2 H ALA 2 20.668 -10.855 5.443 11 HA ALA 2 HA ALA 2 18.167 -9.897 4.222 12 1HB ALA 2 1HB ALA 2 18.606 -7.724 5.483 13 2HB ALA 2 2HB ALA 2 17.991 -9.089 6.416 14 3HB ALA 2 3HB ALA 2 19.702 -8.669 6.492 15 H ASP 3 H ASP 3 18.610 -7.513 3.401 16 HA ASP 3 HA ASP 3 21.201 -6.830 2.528 17 1HB ASP 3 1HB ASP 3 21.043 -7.346 0.154 18 2HB ASP 3 2HB ASP 3 20.900 -8.826 1.098 19 H GLU 4 H GLU 4 21.257 -4.821 1.539 20 HA GLU 4 HA GLU 4 18.671 -3.428 1.454 21 1HB GLU 4 1HB GLU 4 21.387 -2.126 1.554 22 2HB GLU 4 2HB GLU 4 19.827 -1.408 1.928 23 1HG GLU 4 1HG GLU 4 19.638 -2.761 3.919 24 2HG GLU 4 2HG GLU 4 21.144 -3.590 3.528 25 H LYS 5 H LYS 5 18.757 -1.457 -0.103 26 HA LYS 5 HA LYS 5 20.300 -1.738 -2.489 27 1HB LYS 5 1HB LYS 5 17.995 -1.988 -3.817 28 2HB LYS 5 2HB LYS 5 18.968 -3.375 -3.347 29 1HG LYS 5 1HG LYS 5 16.614 -3.735 -2.856 30 2HG LYS 5 2HG LYS 5 17.576 -3.701 -1.376 31 1HD LYS 5 1HD LYS 5 16.926 -1.306 -1.099 32 2HD LYS 5 2HD LYS 5 15.840 -1.494 -2.478 33 1HE LYS 5 1HE LYS 5 14.580 -3.187 -1.301 34 2HE LYS 5 2HE LYS 5 15.718 -3.143 0.045 35 1HZ LYS 5 1HZ LYS 5 13.841 -1.864 0.658 36 2HZ LYS 5 2HZ LYS 5 13.842 -1.007 -0.800 37 3HZ LYS 5 3HZ LYS 5 15.080 -0.760 0.327 38 HA PRO 6 HA PRO 6 18.417 2.425 -1.515 39 1HB PRO 6 1HB PRO 6 20.781 3.756 -1.408 40 2HB PRO 6 2HB PRO 6 20.065 2.954 -0.005 41 1HG PRO 6 1HG PRO 6 22.231 1.994 -1.835 42 2HG PRO 6 2HG PRO 6 22.134 1.893 -0.067 43 1HD PRO 6 1HD PRO 6 21.557 -0.204 -1.680 44 2HD PRO 6 2HD PRO 6 20.744 0.055 -0.123 45 H LYS 7 H LYS 7 17.549 2.603 -3.578 46 HA LYS 7 HA LYS 7 19.368 3.729 -5.599 47 1HB LYS 7 1HB LYS 7 17.277 1.598 -5.933 48 2HB LYS 7 2HB LYS 7 17.731 2.628 -7.285 49 1HG LYS 7 1HG LYS 7 19.090 0.791 -7.576 50 2HG LYS 7 2HG LYS 7 20.148 1.907 -6.710 51 1HD LYS 7 1HD LYS 7 20.012 0.709 -4.736 52 2HD LYS 7 2HD LYS 7 18.480 -0.046 -5.180 53 1HE LYS 7 1HE LYS 7 20.372 -1.628 -5.230 54 2HE LYS 7 2HE LYS 7 19.595 -1.446 -6.802 55 1HZ LYS 7 1HZ LYS 7 22.104 -1.432 -6.771 56 2HZ LYS 7 2HZ LYS 7 22.007 0.094 -6.049 57 3HZ LYS 7 3HZ LYS 7 21.364 -0.152 -7.594 58 H GLU 8 H GLU 8 18.356 5.599 -4.227 59 HA GLU 8 HA GLU 8 15.895 6.470 -5.597 60 1HB GLU 8 1HB GLU 8 16.794 6.858 -2.756 61 2HB GLU 8 2HB GLU 8 15.648 7.965 -3.498 62 1HG GLU 8 1HG GLU 8 15.154 5.020 -3.556 63 2HG GLU 8 2HG GLU 8 14.778 5.965 -2.116 64 H GLY 9 H GLY 9 16.261 8.057 -6.990 65 1HA GLY 9 2HA GLY 9 17.888 10.328 -6.230 66 2HA GLY 9 3HA GLY 9 18.540 9.378 -7.556 67 H VAL 10 H VAL 10 15.108 9.608 -7.187 68 HA VAL 10 HA VAL 10 14.898 11.800 -9.093 69 HB VAL 10 HB VAL 10 13.435 10.528 -10.610 70 1HG1 VAL 10 1HG1 VAL 10 15.919 10.771 -10.969 71 2HG1 VAL 10 2HG1 VAL 10 16.087 9.129 -10.346 72 3HG1 VAL 10 3HG1 VAL 10 15.155 9.425 -11.813 73 1HG2 VAL 10 1HG2 VAL 10 13.652 7.975 -10.428 74 2HG2 VAL 10 2HG2 VAL 10 14.132 8.272 -8.757 75 3HG2 VAL 10 3HG2 VAL 10 12.545 8.792 -9.324 76 H LYS 11 H LYS 11 12.816 12.732 -9.203 77 HA LYS 11 HA LYS 11 10.610 11.688 -7.719 78 1HB LYS 11 1HB LYS 11 10.501 13.503 -6.042 79 2HB LYS 11 2HB LYS 11 11.903 12.465 -5.822 80 1HG LYS 11 1HG LYS 11 13.003 14.353 -7.364 81 2HG LYS 11 2HG LYS 11 11.748 15.313 -6.576 82 1HD LYS 11 1HD LYS 11 12.600 14.326 -4.386 83 2HD LYS 11 2HD LYS 11 14.001 13.775 -5.308 84 1HE LYS 11 1HE LYS 11 14.746 15.926 -5.709 85 2HE LYS 11 2HE LYS 11 13.149 16.634 -5.471 86 1HZ LYS 11 1HZ LYS 11 14.599 17.159 -3.629 87 2HZ LYS 11 2HZ LYS 11 14.894 15.518 -3.343 88 3HZ LYS 11 3HZ LYS 11 13.345 16.153 -3.100 89 H THR 12 H THR 12 8.936 12.262 -8.921 90 HA THR 12 HA THR 12 8.874 14.980 -10.054 91 HB THR 12 HB THR 12 9.380 13.389 -11.852 92 HG1 THR 12 1HG THR 12 7.871 14.222 -13.210 93 1HG2 THR 12 1HG2 THR 12 6.863 12.073 -12.100 94 2HG2 THR 12 2HG2 THR 12 7.504 11.757 -10.487 95 3HG2 THR 12 3HG2 THR 12 8.465 11.361 -11.912 96 H GLU 13 H GLU 13 6.763 15.866 -10.398 97 HA GLU 13 HA GLU 13 4.389 14.545 -9.606 98 1HB GLU 13 1HB GLU 13 3.919 15.779 -7.537 99 2HB GLU 13 2HB GLU 13 5.340 14.757 -7.369 100 1HG GLU 13 1HG GLU 13 6.745 16.770 -7.816 101 2HG GLU 13 2HG GLU 13 5.274 17.739 -7.750 102 H ASN 14 H ASN 14 2.568 16.225 -9.260 103 HA ASN 14 HA ASN 14 3.058 18.742 -10.640 104 1HB ASN 14 1HB ASN 14 2.372 16.765 -12.251 105 2HB ASN 14 2HB ASN 14 0.758 17.109 -11.634 106 1HD2 ASN 14 1HD2 ASN 14 -0.130 19.194 -11.979 107 2HD2 ASN 14 2HD2 ASN 14 0.417 20.178 -13.289 108 H ASN 15 H ASN 15 0.483 16.631 -9.366 109 HA ASN 15 HA ASN 15 -0.901 18.990 -8.328 110 1HB ASN 15 1HB ASN 15 -1.977 16.961 -9.636 111 2HB ASN 15 2HB ASN 15 -1.989 16.220 -8.038 112 1HD2 ASN 15 1HD2 ASN 15 -3.176 17.245 -6.362 113 2HD2 ASN 15 2HD2 ASN 15 -4.502 18.288 -6.736 114 H ASP 16 H ASP 16 -0.094 15.723 -7.139 115 HA ASP 16 HA ASP 16 0.922 16.805 -4.666 116 1HB ASP 16 1HB ASP 16 -1.771 15.568 -4.848 117 2HB ASP 16 2HB ASP 16 -0.766 15.078 -3.487 118 H HIS 17 H HIS 17 1.556 14.952 -3.151 119 HA HIS 17 HA HIS 17 1.966 12.375 -4.345 120 1HB HIS 17 1HB HIS 17 4.364 12.413 -4.478 121 2HB HIS 17 2HB HIS 17 3.752 13.776 -5.410 122 HD1 HIS 17 1HD HIS 17 3.536 16.031 -3.597 123 HD2 HIS 17 2HD HIS 17 6.537 13.201 -3.102 124 HE1 HIS 17 1HE HIS 17 5.326 17.178 -2.254 125 H ILE 18 H ILE 18 2.052 10.880 -2.788 126 HA ILE 18 HA ILE 18 2.904 11.704 -0.095 127 HB ILE 18 HB ILE 18 1.113 10.599 0.958 128 1HG1 ILE 18 1HG1 ILE 18 0.388 9.480 -1.758 129 2HG1 ILE 18 2HG1 ILE 18 1.061 8.578 -0.404 130 1HG2 ILE 18 1HG2 ILE 18 -0.090 11.947 -1.454 131 2HG2 ILE 18 2HG2 ILE 18 -0.848 11.727 0.122 132 3HG2 ILE 18 3HG2 ILE 18 0.551 12.787 -0.043 133 1HD1 ILE 18 1HD1 ILE 18 -1.671 9.791 -0.649 134 2HD1 ILE 18 2HD1 ILE 18 -1.236 8.094 -0.446 135 3HD1 ILE 18 3HD1 ILE 18 -1.008 9.228 0.885 136 H ASN 19 H ASN 19 2.877 9.487 1.302 137 HA ASN 19 HA ASN 19 4.252 7.423 -0.275 138 1HB ASN 19 1HB ASN 19 5.685 9.136 1.214 139 2HB ASN 19 2HB ASN 19 5.278 7.962 2.462 140 1HD2 ASN 19 1HD2 ASN 19 5.730 5.672 1.907 141 2HD2 ASN 19 2HD2 ASN 19 7.168 5.334 1.010 142 H LEU 20 H LEU 20 3.654 5.391 0.185 143 HA LEU 20 HA LEU 20 2.205 4.887 2.693 144 1HB LEU 20 1HB LEU 20 1.396 3.563 0.134 145 2HB LEU 20 2HB LEU 20 0.484 3.732 1.633 146 HG LEU 20 HG LEU 20 1.045 5.906 -0.383 147 1HD1 LEU 20 1HD1 LEU 20 -1.482 5.858 -0.526 148 2HD1 LEU 20 2HD1 LEU 20 -1.406 4.317 0.328 149 3HD1 LEU 20 3HD1 LEU 20 -0.631 4.492 -1.247 150 1HD2 LEU 20 1HD2 LEU 20 0.388 6.049 2.410 151 2HD2 LEU 20 2HD2 LEU 20 -0.930 6.703 1.437 152 3HD2 LEU 20 3HD2 LEU 20 0.702 7.353 1.265 153 H LYS 21 H LYS 21 2.300 2.730 3.468 154 HA LYS 21 HA LYS 21 4.234 0.964 2.150 155 1HB LYS 21 1HB LYS 21 4.328 1.815 5.048 156 2HB LYS 21 2HB LYS 21 5.258 0.478 4.384 157 1HG LYS 21 1HG LYS 21 6.365 2.053 2.844 158 2HG LYS 21 2HG LYS 21 5.480 3.378 3.604 159 1HD LYS 21 1HD LYS 21 7.723 3.218 4.527 160 2HD LYS 21 2HD LYS 21 6.523 2.818 5.759 161 1HE LYS 21 1HE LYS 21 6.950 0.469 5.487 162 2HE LYS 21 2HE LYS 21 8.007 0.776 4.111 163 1HZ LYS 21 1HZ LYS 21 9.048 2.280 6.152 164 2HZ LYS 21 2HZ LYS 21 9.663 0.818 5.566 165 3HZ LYS 21 3HZ LYS 21 8.613 0.822 6.893 166 H VAL 22 H VAL 22 3.183 -0.867 1.775 167 HA VAL 22 HA VAL 22 0.976 -1.681 3.484 168 HB VAL 22 HB VAL 22 2.034 -3.095 1.037 169 1HG1 VAL 22 1HG1 VAL 22 -0.761 -3.382 1.412 170 2HG1 VAL 22 2HG1 VAL 22 0.491 -4.623 1.498 171 3HG1 VAL 22 3HG1 VAL 22 0.029 -3.733 2.949 172 1HG2 VAL 22 1HG2 VAL 22 -0.026 -1.939 -0.018 173 2HG2 VAL 22 2HG2 VAL 22 0.136 -0.795 1.315 174 3HG2 VAL 22 3HG2 VAL 22 1.464 -1.015 0.175 175 H ALA 23 H ALA 23 2.093 -2.263 5.383 176 HA ALA 23 HA ALA 23 4.067 -4.390 5.251 177 1HB ALA 23 1HB ALA 23 4.599 -2.734 6.832 178 2HB ALA 23 2HB ALA 23 2.966 -2.731 7.501 179 3HB ALA 23 3HB ALA 23 4.030 -4.110 7.778 180 H GLY 24 H GLY 24 3.081 -6.280 4.689 181 1HA GLY 24 2HA GLY 24 0.539 -7.105 5.639 182 2HA GLY 24 3HA GLY 24 1.730 -8.132 4.855 183 H GLN 25 H GLN 25 -0.066 -8.082 7.458 184 HA GLN 25 HA GLN 25 1.614 -8.326 9.670 185 1HB GLN 25 1HB GLN 25 -0.971 -8.259 9.533 186 2HB GLN 25 2HB GLN 25 -0.858 -10.003 9.343 187 1HG GLN 25 1HG GLN 25 0.194 -10.234 11.476 188 2HG GLN 25 2HG GLN 25 0.327 -8.485 11.652 189 1HE2 GLN 25 1HE2 GLN 25 -1.543 -11.212 12.264 190 2HE2 GLN 25 2HE2 GLN 25 -2.972 -10.420 12.826 191 H ASP 26 H ASP 26 0.925 -10.546 7.086 192 HA ASP 26 HA ASP 26 2.020 -12.844 8.434 193 1HB ASP 26 1HB ASP 26 0.249 -13.025 6.693 194 2HB ASP 26 2HB ASP 26 1.414 -12.472 5.494 195 H GLY 27 H GLY 27 3.007 -11.344 5.352 196 1HA GLY 27 2HA GLY 27 5.721 -11.001 6.212 197 2HA GLY 27 3HA GLY 27 5.528 -12.401 5.168 198 H SER 28 H SER 28 4.105 -9.134 5.137 199 HA SER 28 HA SER 28 5.177 -8.810 2.410 200 1HB SER 28 1HB SER 28 2.569 -9.145 2.840 201 2HB SER 28 2HB SER 28 2.654 -7.416 3.177 202 HG SER 28 HG SER 28 3.474 -7.084 1.120 203 H VAL 29 H VAL 29 5.494 -6.574 1.733 204 HA VAL 29 HA VAL 29 5.342 -4.361 3.430 205 HB VAL 29 HB VAL 29 6.964 -5.344 4.868 206 1HG1 VAL 29 1HG1 VAL 29 7.976 -6.469 2.439 207 2HG1 VAL 29 2HG1 VAL 29 9.282 -5.655 3.303 208 3HG1 VAL 29 3HG1 VAL 29 8.339 -6.911 4.106 209 1HG2 VAL 29 1HG2 VAL 29 8.837 -3.641 3.350 210 2HG2 VAL 29 2HG2 VAL 29 7.291 -2.908 3.781 211 3HG2 VAL 29 3HG2 VAL 29 8.341 -3.558 5.040 212 H VAL 30 H VAL 30 4.751 -3.351 1.526 213 HA VAL 30 HA VAL 30 6.964 -2.824 -0.345 214 HB VAL 30 HB VAL 30 4.070 -3.037 -1.174 215 1HG1 VAL 30 1HG1 VAL 30 6.650 -2.524 -2.592 216 2HG1 VAL 30 2HG1 VAL 30 5.318 -3.308 -3.444 217 3HG1 VAL 30 3HG1 VAL 30 5.099 -1.701 -2.751 218 1HG2 VAL 30 1HG2 VAL 30 4.661 -5.182 -2.195 219 2HG2 VAL 30 2HG2 VAL 30 6.276 -5.072 -1.495 220 3HG2 VAL 30 3HG2 VAL 30 4.868 -5.224 -0.444 221 H GLN 31 H GLN 31 7.191 -0.739 -1.054 222 HA GLN 31 HA GLN 31 5.569 1.257 0.349 223 1HB GLN 31 1HB GLN 31 8.141 1.712 -1.162 224 2HB GLN 31 2HB GLN 31 7.365 2.801 -0.020 225 1HG GLN 31 1HG GLN 31 7.707 0.693 1.579 226 2HG GLN 31 2HG GLN 31 9.046 0.424 0.465 227 1HE2 GLN 31 1HE2 GLN 31 10.415 0.788 2.301 228 2HE2 GLN 31 2HE2 GLN 31 10.787 2.402 2.794 229 H PHE 32 H PHE 32 4.735 3.089 -0.746 230 HA PHE 32 HA PHE 32 4.685 2.998 -3.662 231 1HB PHE 32 1HB PHE 32 2.367 2.480 -1.884 232 2HB PHE 32 2HB PHE 32 2.078 3.534 -3.265 233 HD1 PHE 32 1HD PHE 32 3.276 0.176 -2.283 234 HD2 PHE 32 2HD PHE 32 1.840 2.659 -5.428 235 HE1 PHE 32 1HE PHE 32 3.051 -1.798 -3.734 236 HE2 PHE 32 2HE PHE 32 1.612 0.689 -6.883 237 HZ PHE 32 HZ PHE 32 2.217 -1.544 -6.037 238 H LYS 33 H LYS 33 4.001 4.973 -4.644 239 HA LYS 33 HA LYS 33 3.640 7.276 -2.891 240 1HB LYS 33 1HB LYS 33 5.748 7.347 -5.042 241 2HB LYS 33 2HB LYS 33 5.454 8.527 -3.772 242 1HG LYS 33 1HG LYS 33 6.208 6.920 -2.097 243 2HG LYS 33 2HG LYS 33 6.498 5.730 -3.368 244 1HD LYS 33 1HD LYS 33 7.848 8.422 -3.169 245 2HD LYS 33 2HD LYS 33 8.559 6.890 -2.656 246 1HE LYS 33 1HE LYS 33 8.364 6.050 -4.956 247 2HE LYS 33 2HE LYS 33 7.686 7.598 -5.457 248 1HZ LYS 33 1HZ LYS 33 10.364 6.888 -5.320 249 2HZ LYS 33 2HZ LYS 33 10.116 8.023 -4.091 250 3HZ LYS 33 3HZ LYS 33 9.718 8.408 -5.690 251 H ILE 34 H ILE 34 2.029 8.466 -3.653 252 HA ILE 34 HA ILE 34 1.792 9.092 -6.447 253 HB ILE 34 HB ILE 34 0.614 6.772 -5.924 254 1HG1 ILE 34 1HG1 ILE 34 -0.965 8.756 -7.533 255 2HG1 ILE 34 2HG1 ILE 34 0.656 8.292 -8.039 256 1HG2 ILE 34 1HG2 ILE 34 -1.621 6.905 -5.228 257 2HG2 ILE 34 2HG2 ILE 34 -0.737 7.927 -4.096 258 3HG2 ILE 34 3HG2 ILE 34 -1.662 8.659 -5.407 259 1HD1 ILE 34 1HD1 ILE 34 -0.625 5.888 -7.523 260 2HD1 ILE 34 2HD1 ILE 34 -1.839 6.884 -8.328 261 3HD1 ILE 34 3HD1 ILE 34 -0.281 6.594 -9.102 262 H LYS 35 H LYS 35 -0.285 10.409 -6.823 263 HA LYS 35 HA LYS 35 -0.271 12.641 -5.171 264 1HB LYS 35 1HB LYS 35 -2.371 13.287 -6.329 265 2HB LYS 35 2HB LYS 35 -1.103 12.771 -7.433 266 1HG LYS 35 1HG LYS 35 -2.159 10.620 -7.707 267 2HG LYS 35 2HG LYS 35 -3.383 11.036 -6.505 268 1HD LYS 35 1HD LYS 35 -4.616 12.102 -8.025 269 2HD LYS 35 2HD LYS 35 -3.229 13.044 -8.577 270 1HE LYS 35 1HE LYS 35 -3.633 11.897 -10.493 271 2HE LYS 35 2HE LYS 35 -2.603 10.708 -9.696 272 1HZ LYS 35 1HZ LYS 35 -4.266 9.277 -9.846 273 2HZ LYS 35 2HZ LYS 35 -5.291 10.452 -10.501 274 3HZ LYS 35 3HZ LYS 35 -5.199 10.249 -8.824 275 H ARG 36 H ARG 36 -2.484 13.497 -4.221 276 HA ARG 36 HA ARG 36 -3.168 11.630 -2.100 277 1HB ARG 36 1HB ARG 36 -3.350 14.562 -2.503 278 2HB ARG 36 2HB ARG 36 -4.580 13.834 -1.479 279 1HG ARG 36 1HG ARG 36 -2.771 12.828 -0.111 280 2HG ARG 36 2HG ARG 36 -1.599 13.714 -1.089 281 1HD ARG 36 1HD ARG 36 -3.849 15.183 0.213 282 2HD ARG 36 2HD ARG 36 -2.453 14.702 1.177 283 HE ARG 36 HE ARG 36 -1.323 15.928 -0.943 284 1HH1 ARG 36 2HH1 ARG 36 -3.856 16.852 1.259 285 2HH1 ARG 36 1HH1 ARG 36 -3.513 18.547 1.148 286 1HH2 ARG 36 2HH2 ARG 36 -0.862 18.156 -1.097 287 2HH2 ARG 36 1HH2 ARG 36 -1.810 19.288 -0.193 288 H HIS 37 H HIS 37 -4.361 12.416 -5.106 289 HA HIS 37 HA HIS 37 -7.084 11.581 -4.348 290 1HB HIS 37 1HB HIS 37 -6.878 13.934 -5.228 291 2HB HIS 37 2HB HIS 37 -6.352 13.245 -6.761 292 HD1 HIS 37 1HD HIS 37 -9.299 12.512 -4.452 293 HD2 HIS 37 2HD HIS 37 -8.447 13.246 -8.451 294 HE1 HIS 37 1HE HIS 37 -11.508 12.371 -5.646 295 H THR 38 H THR 38 -5.335 9.591 -4.711 296 HA THR 38 HA THR 38 -5.688 8.665 -7.479 297 HB THR 38 HB THR 38 -3.684 8.020 -5.354 298 HG1 THR 38 1HG THR 38 -3.361 8.267 -8.167 299 1HG2 THR 38 1HG2 THR 38 -2.966 6.072 -6.794 300 2HG2 THR 38 2HG2 THR 38 -4.538 6.184 -7.586 301 3HG2 THR 38 3HG2 THR 38 -4.442 5.825 -5.862 302 HA PRO 39 HA PRO 39 -8.820 5.872 -6.084 303 1HB PRO 39 1HB PRO 39 -8.899 4.298 -8.295 304 2HB PRO 39 2HB PRO 39 -9.597 5.921 -8.246 305 1HG PRO 39 1HG PRO 39 -6.964 5.026 -9.352 306 2HG PRO 39 2HG PRO 39 -8.138 6.163 -10.040 307 1HD PRO 39 1HD PRO 39 -5.905 6.980 -8.744 308 2HD PRO 39 2HD PRO 39 -7.422 7.903 -8.709 309 H LEU 40 H LEU 40 -8.348 4.423 -4.553 310 HA LEU 40 HA LEU 40 -6.073 2.883 -4.319 311 1HB LEU 40 1HB LEU 40 -8.844 2.229 -3.329 312 2HB LEU 40 2HB LEU 40 -7.355 1.479 -2.759 313 HG LEU 40 HG LEU 40 -6.836 4.116 -2.312 314 1HD1 LEU 40 1HD1 LEU 40 -9.434 4.139 -1.072 315 2HD1 LEU 40 2HD1 LEU 40 -9.576 4.049 -2.827 316 3HD1 LEU 40 3HD1 LEU 40 -8.660 5.359 -2.083 317 1HD2 LEU 40 1HD2 LEU 40 -6.882 3.550 -0.077 318 2HD2 LEU 40 2HD2 LEU 40 -6.749 1.967 -0.844 319 3HD2 LEU 40 3HD2 LEU 40 -8.312 2.534 -0.253 320 H SER 41 H SER 41 -8.829 2.375 -6.329 321 HA SER 41 HA SER 41 -8.894 -0.339 -6.727 322 1HB SER 41 1HB SER 41 -9.294 1.945 -8.653 323 2HB SER 41 2HB SER 41 -9.515 0.266 -9.148 324 HG SER 41 HG SER 41 -10.889 0.328 -7.040 325 H LYS 42 H LYS 42 -6.934 1.955 -8.633 326 HA LYS 42 HA LYS 42 -5.537 0.129 -10.161 327 1HB LYS 42 1HB LYS 42 -3.815 1.861 -10.406 328 2HB LYS 42 2HB LYS 42 -5.432 2.537 -10.549 329 1HG LYS 42 1HG LYS 42 -5.029 3.965 -8.909 330 2HG LYS 42 2HG LYS 42 -4.584 2.651 -7.818 331 1HD LYS 42 1HD LYS 42 -2.730 4.177 -8.006 332 2HD LYS 42 2HD LYS 42 -2.310 2.663 -8.811 333 1HE LYS 42 1HE LYS 42 -1.584 4.441 -10.218 334 2HE LYS 42 2HE LYS 42 -3.009 3.726 -10.970 335 1HZ LYS 42 1HZ LYS 42 -2.744 6.314 -10.691 336 2HZ LYS 42 2HZ LYS 42 -3.416 5.995 -9.173 337 3HZ LYS 42 3HZ LYS 42 -4.256 5.565 -10.576 338 H LEU 43 H LEU 43 -5.153 0.924 -6.807 339 HA LEU 43 HA LEU 43 -2.528 -0.158 -6.501 340 1HB LEU 43 1HB LEU 43 -3.855 1.495 -4.993 341 2HB LEU 43 2HB LEU 43 -4.508 0.027 -4.268 342 HG LEU 43 HG LEU 43 -2.237 -0.671 -3.654 343 1HD1 LEU 43 1HD1 LEU 43 -1.505 1.853 -5.086 344 2HD1 LEU 43 2HD1 LEU 43 -0.806 0.242 -5.235 345 3HD1 LEU 43 3HD1 LEU 43 -0.484 1.213 -3.798 346 1HD2 LEU 43 1HD2 LEU 43 -3.092 2.072 -2.750 347 2HD2 LEU 43 2HD2 LEU 43 -1.816 1.134 -1.974 348 3HD2 LEU 43 3HD2 LEU 43 -3.471 0.523 -1.997 349 H MET 44 H MET 44 -5.592 -1.329 -5.098 350 HA MET 44 HA MET 44 -4.695 -3.883 -4.476 351 1HB MET 44 1HB MET 44 -6.998 -4.495 -4.204 352 2HB MET 44 2HB MET 44 -6.815 -2.830 -3.670 353 1HG MET 44 1HG MET 44 -8.663 -2.534 -4.912 354 2HG MET 44 2HG MET 44 -7.490 -2.395 -6.220 355 1HE MET 44 1HE MET 44 -10.795 -4.277 -5.242 356 2HE MET 44 2HE MET 44 -10.222 -5.944 -5.282 357 3HE MET 44 3HE MET 44 -9.538 -4.804 -4.123 358 H LYS 45 H LYS 45 -6.017 -2.614 -7.473 359 HA LYS 45 HA LYS 45 -6.583 -4.933 -8.854 360 1HB LYS 45 1HB LYS 45 -6.965 -2.587 -9.653 361 2HB LYS 45 2HB LYS 45 -5.252 -2.492 -10.039 362 1HG LYS 45 1HG LYS 45 -5.587 -4.472 -11.547 363 2HG LYS 45 2HG LYS 45 -7.322 -4.282 -11.283 364 1HD LYS 45 1HD LYS 45 -6.831 -1.798 -11.985 365 2HD LYS 45 2HD LYS 45 -5.415 -2.521 -12.753 366 1HE LYS 45 1HE LYS 45 -6.675 -3.719 -14.255 367 2HE LYS 45 2HE LYS 45 -8.085 -3.766 -13.198 368 1HZ LYS 45 1HZ LYS 45 -8.625 -2.305 -14.933 369 2HZ LYS 45 2HZ LYS 45 -7.132 -1.513 -14.864 370 3HZ LYS 45 3HZ LYS 45 -8.259 -1.300 -13.621 371 H ALA 46 H ALA 46 -3.501 -3.144 -9.085 372 HA ALA 46 HA ALA 46 -2.131 -5.215 -10.426 373 1HB ALA 46 1HB ALA 46 -0.207 -3.696 -9.085 374 2HB ALA 46 2HB ALA 46 -0.773 -3.486 -10.742 375 3HB ALA 46 3HB ALA 46 -1.531 -2.582 -9.431 376 H TYR 47 H TYR 47 -2.292 -4.295 -7.008 377 HA TYR 47 HA TYR 47 -0.374 -5.935 -5.927 378 1HB TYR 47 1HB TYR 47 -2.161 -4.274 -4.854 379 2HB TYR 47 2HB TYR 47 -2.982 -5.789 -4.495 380 HD1 TYR 47 1HD TYR 47 -1.507 -3.576 -2.704 381 HD2 TYR 47 2HD TYR 47 -0.570 -7.516 -4.009 382 HE1 TYR 47 1HE TYR 47 -0.070 -3.881 -0.732 383 HE2 TYR 47 2HE TYR 47 0.869 -7.832 -2.039 384 HH TYR 47 HH TYR 47 2.162 -5.686 -0.344 385 H CYS 48 H CYS 48 -3.828 -6.820 -5.925 386 HA CYS 48 HA CYS 48 -3.536 -9.483 -5.299 387 1HB CYS 48 1HB CYS 48 -5.685 -8.116 -5.517 388 2HB CYS 48 2HB CYS 48 -5.628 -8.498 -7.233 389 HG CYS 48 HG CYS 48 -6.288 -11.051 -7.072 390 H GLU 49 H GLU 49 -3.350 -7.944 -8.468 391 HA GLU 49 HA GLU 49 -3.372 -10.133 -10.135 392 1HB GLU 49 1HB GLU 49 -3.071 -7.558 -10.606 393 2HB GLU 49 2HB GLU 49 -1.362 -7.974 -10.627 394 1HG GLU 49 1HG GLU 49 -2.185 -8.015 -12.865 395 2HG GLU 49 2HG GLU 49 -1.843 -9.670 -12.364 396 H ARG 50 H ARG 50 -0.849 -9.056 -7.981 397 HA ARG 50 HA ARG 50 1.021 -11.035 -9.049 398 1HB ARG 50 1HB ARG 50 2.690 -9.760 -8.220 399 2HB ARG 50 2HB ARG 50 1.456 -8.508 -8.166 400 1HG ARG 50 1HG ARG 50 0.992 -9.124 -5.817 401 2HG ARG 50 2HG ARG 50 2.324 -10.279 -5.893 402 1HD ARG 50 1HD ARG 50 2.431 -7.282 -6.075 403 2HD ARG 50 2HD ARG 50 3.221 -8.338 -4.904 404 HE ARG 50 HE ARG 50 4.324 -9.122 -7.228 405 1HH1 ARG 50 2HH1 ARG 50 3.859 -5.986 -5.789 406 2HH1 ARG 50 1HH1 ARG 50 5.268 -5.296 -6.524 407 1HH2 ARG 50 2HH2 ARG 50 6.182 -8.225 -8.201 408 2HH2 ARG 50 1HH2 ARG 50 6.588 -6.570 -7.897 409 H GLN 51 H GLN 51 -0.868 -10.301 -6.182 410 HA GLN 51 HA GLN 51 0.071 -12.796 -4.942 411 1HB GLN 51 1HB GLN 51 -0.789 -11.895 -2.833 412 2HB GLN 51 2HB GLN 51 0.373 -10.797 -3.565 413 1HG GLN 51 1HG GLN 51 -1.348 -9.327 -4.287 414 2HG GLN 51 2HG GLN 51 -2.602 -10.487 -3.851 415 1HE2 GLN 51 1HE2 GLN 51 -3.150 -8.247 -2.814 416 2HE2 GLN 51 2HE2 GLN 51 -2.683 -8.093 -1.158 417 H GLY 52 H GLY 52 -1.705 -13.068 -7.037 418 1HA GLY 52 2HA GLY 52 -4.415 -13.195 -6.105 419 2HA GLY 52 3HA GLY 52 -3.801 -13.843 -7.619 420 H LEU 53 H LEU 53 -3.346 -14.498 -4.140 421 HA LEU 53 HA LEU 53 -3.669 -17.361 -4.754 422 1HB LEU 53 1HB LEU 53 -2.325 -16.377 -2.276 423 2HB LEU 53 2HB LEU 53 -2.126 -17.911 -3.121 424 HG LEU 53 HG LEU 53 -1.009 -15.230 -3.930 425 1HD1 LEU 53 1HD1 LEU 53 1.094 -16.848 -3.803 426 2HD1 LEU 53 2HD1 LEU 53 0.067 -17.662 -2.623 427 3HD1 LEU 53 3HD1 LEU 53 0.495 -15.966 -2.398 428 1HD2 LEU 53 1HD2 LEU 53 0.104 -17.204 -5.532 429 2HD2 LEU 53 2HD2 LEU 53 -1.062 -15.976 -6.026 430 3HD2 LEU 53 3HD2 LEU 53 -1.621 -17.570 -5.518 431 H SER 54 H SER 54 -4.535 -14.738 -2.593 432 HA SER 54 HA SER 54 -6.962 -16.098 -1.849 433 1HB SER 54 1HB SER 54 -4.691 -15.791 0.075 434 2HB SER 54 2HB SER 54 -6.341 -15.626 0.673 435 HG SER 54 HG SER 54 -6.730 -17.711 -0.365 436 H MET 55 H MET 55 -7.822 -14.249 -2.910 437 HA MET 55 HA MET 55 -7.272 -11.596 -2.092 438 1HB MET 55 1HB MET 55 -9.222 -10.976 -3.404 439 2HB MET 55 2HB MET 55 -8.258 -12.157 -4.280 440 1HG MET 55 1HG MET 55 -9.833 -13.917 -3.413 441 2HG MET 55 2HG MET 55 -10.856 -12.600 -2.842 442 1HE MET 55 1HE MET 55 -13.164 -13.329 -5.467 443 2HE MET 55 2HE MET 55 -12.742 -13.039 -3.779 444 3HE MET 55 3HE MET 55 -12.960 -11.678 -4.881 445 H ARG 56 H ARG 56 -9.299 -14.083 -0.825 446 HA ARG 56 HA ARG 56 -11.117 -12.422 0.600 447 1HB ARG 56 1HB ARG 56 -10.352 -15.322 0.761 448 2HB ARG 56 2HB ARG 56 -11.405 -14.608 1.975 449 1HG ARG 56 1HG ARG 56 -13.090 -14.155 0.408 450 2HG ARG 56 2HG ARG 56 -11.999 -14.402 -0.957 451 1HD ARG 56 1HD ARG 56 -12.692 -16.595 0.978 452 2HD ARG 56 2HD ARG 56 -13.658 -16.262 -0.459 453 HE ARG 56 HE ARG 56 -10.854 -16.626 -0.992 454 1HH1 ARG 56 2HH1 ARG 56 -13.931 -18.206 -0.599 455 2HH1 ARG 56 1HH1 ARG 56 -13.483 -19.596 -1.531 456 1HH2 ARG 56 2HH2 ARG 56 -10.253 -18.451 -2.221 457 2HH2 ARG 56 1HH2 ARG 56 -11.391 -19.735 -2.452 458 H GLN 57 H GLN 57 -7.874 -13.409 1.140 459 HA GLN 57 HA GLN 57 -7.977 -12.837 3.994 460 1HB GLN 57 1HB GLN 57 -6.547 -14.666 2.673 461 2HB GLN 57 2HB GLN 57 -5.395 -13.338 2.606 462 1HG GLN 57 1HG GLN 57 -4.742 -14.371 4.530 463 2HG GLN 57 2HG GLN 57 -5.877 -13.183 5.169 464 1HE2 GLN 57 1HE2 GLN 57 -7.072 -14.002 6.717 465 2HE2 GLN 57 2HE2 GLN 57 -7.713 -15.605 6.777 466 H ILE 58 H ILE 58 -6.728 -11.465 1.011 467 HA ILE 58 HA ILE 58 -5.170 -9.416 2.178 468 HB ILE 58 HB ILE 58 -6.506 -9.473 -0.531 469 1HG1 ILE 58 1HG1 ILE 58 -4.952 -11.346 -0.159 470 2HG1 ILE 58 2HG1 ILE 58 -4.325 -10.218 -1.356 471 1HG2 ILE 58 1HG2 ILE 58 -4.271 -7.738 0.512 472 2HG2 ILE 58 2HG2 ILE 58 -4.837 -7.786 -1.157 473 3HG2 ILE 58 3HG2 ILE 58 -5.907 -7.210 0.121 474 1HD1 ILE 58 1HD1 ILE 58 -2.917 -9.211 0.415 475 2HD1 ILE 58 2HD1 ILE 58 -3.471 -10.475 1.514 476 3HD1 ILE 58 3HD1 ILE 58 -2.542 -10.901 0.077 477 H ARG 59 H ARG 59 -5.818 -7.710 3.296 478 HA ARG 59 HA ARG 59 -8.164 -6.216 2.497 479 1HB ARG 59 1HB ARG 59 -8.079 -7.906 4.936 480 2HB ARG 59 2HB ARG 59 -8.769 -6.298 5.113 481 1HG ARG 59 1HG ARG 59 -10.089 -7.059 2.932 482 2HG ARG 59 2HG ARG 59 -9.782 -8.649 3.633 483 1HD ARG 59 1HD ARG 59 -11.872 -7.948 4.485 484 2HD ARG 59 2HD ARG 59 -10.712 -7.735 5.796 485 HE ARG 59 HE ARG 59 -11.100 -5.482 5.720 486 1HH1 ARG 59 2HH1 ARG 59 -12.293 -6.939 2.792 487 2HH1 ARG 59 1HH1 ARG 59 -13.057 -5.489 2.228 488 1HH2 ARG 59 2HH2 ARG 59 -12.101 -3.568 4.988 489 2HH2 ARG 59 1HH2 ARG 59 -12.946 -3.572 3.477 490 H PHE 60 H PHE 60 -7.595 -4.154 2.554 491 HA PHE 60 HA PHE 60 -5.250 -3.295 3.972 492 1HB PHE 60 1HB PHE 60 -7.163 -2.068 2.049 493 2HB PHE 60 2HB PHE 60 -6.237 -0.982 3.079 494 HD1 PHE 60 1HD PHE 60 -6.196 -3.079 0.173 495 HD2 PHE 60 2HD PHE 60 -3.726 -1.116 3.030 496 HE1 PHE 60 1HE PHE 60 -4.277 -3.276 -1.355 497 HE2 PHE 60 2HE PHE 60 -1.804 -1.308 1.506 498 HZ PHE 60 HZ PHE 60 -2.078 -2.389 -0.690 499 H ARG 61 H ARG 61 -5.129 -2.371 5.916 500 HA ARG 61 HA ARG 61 -7.427 -1.008 7.059 501 1HB ARG 61 1HB ARG 61 -7.296 -3.611 7.630 502 2HB ARG 61 2HB ARG 61 -6.163 -3.028 8.842 503 1HG ARG 61 1HG ARG 61 -8.103 -2.961 10.033 504 2HG ARG 61 2HG ARG 61 -8.099 -1.329 9.362 505 1HD ARG 61 1HD ARG 61 -10.270 -2.105 8.979 506 2HD ARG 61 2HD ARG 61 -9.453 -2.317 7.432 507 HE ARG 61 HE ARG 61 -9.817 -4.557 7.620 508 1HH1 ARG 61 2HH1 ARG 61 -9.996 -3.139 10.794 509 2HH1 ARG 61 1HH1 ARG 61 -10.471 -4.614 11.569 510 1HH2 ARG 61 2HH2 ARG 61 -10.442 -6.505 8.629 511 2HH2 ARG 61 1HH2 ARG 61 -10.723 -6.528 10.337 512 H PHE 62 H PHE 62 -6.821 0.693 8.256 513 HA PHE 62 HA PHE 62 -3.957 0.994 8.825 514 1HB PHE 62 1HB PHE 62 -5.134 2.710 7.402 515 2HB PHE 62 2HB PHE 62 -6.071 3.153 8.825 516 HD1 PHE 62 1HD PHE 62 -2.482 2.578 7.965 517 HD2 PHE 62 2HD PHE 62 -5.359 5.019 9.935 518 HE1 PHE 62 1HE PHE 62 -0.695 4.121 8.655 519 HE2 PHE 62 2HE PHE 62 -3.576 6.567 10.627 520 HZ PHE 62 HZ PHE 62 -1.241 6.120 9.987 521 H ASP 63 H ASP 63 -3.359 2.125 10.829 522 HA ASP 63 HA ASP 63 -4.686 0.942 13.079 523 1HB ASP 63 1HB ASP 63 -2.174 1.337 12.823 524 2HB ASP 63 2HB ASP 63 -2.509 3.025 13.200 525 H GLY 64 H GLY 64 -6.675 2.303 12.135 526 1HA GLY 64 2HA GLY 64 -7.326 4.170 14.169 527 2HA GLY 64 3HA GLY 64 -6.949 5.016 12.676 528 H GLN 65 H GLN 65 -7.997 2.912 10.960 529 HA GLN 65 HA GLN 65 -10.647 2.248 11.529 530 1HB GLN 65 1HB GLN 65 -11.679 3.975 9.885 531 2HB GLN 65 2HB GLN 65 -11.371 4.453 11.549 532 1HG GLN 65 1HG GLN 65 -9.418 5.654 10.930 533 2HG GLN 65 2HG GLN 65 -9.458 4.994 9.296 534 1HE2 GLN 65 1HE2 GLN 65 -9.549 7.777 10.393 535 2HE2 GLN 65 2HE2 GLN 65 -10.932 8.496 9.647 536 HA PRO 66 HA PRO 66 -10.155 -0.026 7.812 537 1HB PRO 66 1HB PRO 66 -12.718 -0.267 6.949 538 2HB PRO 66 2HB PRO 66 -12.091 -1.137 8.355 539 1HG PRO 66 1HG PRO 66 -13.715 1.376 8.252 540 2HG PRO 66 2HG PRO 66 -13.880 -0.019 9.334 541 1HD PRO 66 1HD PRO 66 -12.662 2.277 10.092 542 2HD PRO 66 2HD PRO 66 -12.171 0.687 10.709 543 H ILE 67 H ILE 67 -11.150 -0.053 5.431 544 HA ILE 67 HA ILE 67 -11.403 2.684 4.417 545 HB ILE 67 HB ILE 67 -9.497 0.708 3.168 546 1HG1 ILE 67 1HG1 ILE 67 -8.872 3.070 4.955 547 2HG1 ILE 67 2HG1 ILE 67 -8.673 1.375 5.388 548 1HG2 ILE 67 1HG2 ILE 67 -10.501 2.413 1.688 549 2HG2 ILE 67 2HG2 ILE 67 -9.842 3.671 2.732 550 3HG2 ILE 67 3HG2 ILE 67 -8.755 2.594 1.856 551 1HD1 ILE 67 1HD1 ILE 67 -7.218 2.742 3.139 552 2HD1 ILE 67 2HD1 ILE 67 -6.567 2.489 4.759 553 3HD1 ILE 67 3HD1 ILE 67 -6.953 1.105 3.737 554 H ASN 68 H ASN 68 -12.645 2.889 2.599 555 HA ASN 68 HA ASN 68 -13.963 0.430 1.669 556 1HB ASN 68 1HB ASN 68 -14.925 3.296 1.515 557 2HB ASN 68 2HB ASN 68 -15.823 1.880 0.973 558 1HD2 ASN 68 1HD2 ASN 68 -15.976 4.036 3.219 559 2HD2 ASN 68 2HD2 ASN 68 -16.448 3.104 4.596 560 H GLU 69 H GLU 69 -15.043 1.143 -0.670 561 HA GLU 69 HA GLU 69 -12.709 1.362 -2.389 562 1HB GLU 69 1HB GLU 69 -14.238 0.704 -4.193 563 2HB GLU 69 2HB GLU 69 -14.320 -0.414 -2.839 564 1HG GLU 69 1HG GLU 69 -16.261 1.821 -2.882 565 2HG GLU 69 2HG GLU 69 -16.482 0.521 -4.052 566 H THR 70 H THR 70 -15.364 3.285 -1.333 567 HA THR 70 HA THR 70 -14.906 5.251 -3.465 568 HB THR 70 HB THR 70 -17.253 4.565 -3.022 569 HG1 THR 70 1HG THR 70 -16.407 6.868 -3.570 570 1HG2 THR 70 1HG2 THR 70 -17.376 6.181 -0.552 571 2HG2 THR 70 2HG2 THR 70 -16.616 4.596 -0.403 572 3HG2 THR 70 3HG2 THR 70 -18.268 4.728 -1.003 573 H ASP 71 H ASP 71 -12.967 4.877 -1.375 574 HA ASP 71 HA ASP 71 -13.172 7.490 -0.026 575 1HB ASP 71 1HB ASP 71 -13.008 5.032 1.215 576 2HB ASP 71 2HB ASP 71 -11.333 5.576 1.208 577 H THR 72 H THR 72 -10.921 8.298 0.647 578 HA THR 72 HA THR 72 -8.847 7.588 -1.286 579 HB THR 72 HB THR 72 -8.492 10.203 -1.472 580 HG1 THR 72 1HG THR 72 -11.317 10.134 -1.407 581 1HG2 THR 72 1HG2 THR 72 -9.075 8.417 -3.254 582 2HG2 THR 72 2HG2 THR 72 -9.399 10.112 -3.617 583 3HG2 THR 72 3HG2 THR 72 -10.715 9.049 -3.120 584 HA PRO 73 HA PRO 73 -6.052 8.276 2.027 585 1HB PRO 73 1HB PRO 73 -3.883 9.289 0.746 586 2HB PRO 73 2HB PRO 73 -4.370 7.595 0.618 587 1HG PRO 73 1HG PRO 73 -4.864 9.857 -1.279 588 2HG PRO 73 2HG PRO 73 -4.374 8.189 -1.630 589 1HD PRO 73 1HD PRO 73 -6.929 9.044 -1.903 590 2HD PRO 73 2HD PRO 73 -6.523 7.381 -1.430 591 H ALA 74 H ALA 74 -7.292 10.871 0.236 592 HA ALA 74 HA ALA 74 -5.858 12.973 1.586 593 1HB ALA 74 1HB ALA 74 -7.099 14.476 0.292 594 2HB ALA 74 2HB ALA 74 -6.880 13.074 -0.756 595 3HB ALA 74 3HB ALA 74 -8.420 13.329 0.065 596 H GLN 75 H GLN 75 -8.718 11.117 2.144 597 HA GLN 75 HA GLN 75 -9.478 12.922 4.343 598 1HB GLN 75 1HB GLN 75 -11.096 11.071 2.617 599 2HB GLN 75 2HB GLN 75 -11.688 11.583 4.192 600 1HG GLN 75 1HG GLN 75 -11.155 13.974 3.277 601 2HG GLN 75 2HG GLN 75 -11.276 13.173 1.711 602 1HE2 GLN 75 1HE2 GLN 75 -13.242 12.574 0.945 603 2HE2 GLN 75 2HE2 GLN 75 -14.734 12.931 1.739 604 H LEU 76 H LEU 76 -7.558 10.487 4.045 605 HA LEU 76 HA LEU 76 -8.595 9.005 6.371 606 1HB LEU 76 1HB LEU 76 -7.245 8.136 3.898 607 2HB LEU 76 2HB LEU 76 -6.705 7.353 5.382 608 HG LEU 76 HG LEU 76 -8.455 6.100 4.130 609 1HD1 LEU 76 1HD1 LEU 76 -8.320 6.704 6.913 610 2HD1 LEU 76 2HD1 LEU 76 -8.813 5.206 6.124 611 3HD1 LEU 76 3HD1 LEU 76 -10.007 6.461 6.458 612 1HD2 LEU 76 1HD2 LEU 76 -9.646 8.451 3.691 613 2HD2 LEU 76 2HD2 LEU 76 -10.543 7.947 5.124 614 3HD2 LEU 76 3HD2 LEU 76 -10.521 6.920 3.689 615 H GLU 77 H GLU 77 -6.120 11.006 5.166 616 HA GLU 77 HA GLU 77 -4.250 11.893 6.112 617 1HB GLU 77 1HB GLU 77 -5.056 10.537 8.682 618 2HB GLU 77 2HB GLU 77 -4.071 11.979 8.487 619 1HG GLU 77 1HG GLU 77 -6.305 12.841 7.314 620 2HG GLU 77 2HG GLU 77 -7.005 11.660 8.420 621 H MET 78 H MET 78 -4.382 9.086 5.038 622 HA MET 78 HA MET 78 -2.280 7.732 6.525 623 1HB MET 78 1HB MET 78 -2.585 5.963 4.758 624 2HB MET 78 2HB MET 78 -4.010 6.298 5.732 625 1HG MET 78 1HG MET 78 -5.123 7.325 3.996 626 2HG MET 78 2HG MET 78 -3.636 7.699 3.128 627 1HE MET 78 1HE MET 78 -6.389 4.788 3.762 628 2HE MET 78 2HE MET 78 -6.623 6.205 2.739 629 3HE MET 78 3HE MET 78 -6.463 4.607 2.009 630 H GLU 79 H GLU 79 -0.811 9.601 6.044 631 HA GLU 79 HA GLU 79 0.717 8.990 3.626 632 1HB GLU 79 1HB GLU 79 0.383 11.868 4.349 633 2HB GLU 79 2HB GLU 79 0.759 11.143 2.792 634 1HG GLU 79 1HG GLU 79 -1.551 10.357 2.607 635 2HG GLU 79 2HG GLU 79 -1.923 11.109 4.157 636 H ASP 80 H ASP 80 2.660 10.910 3.833 637 HA ASP 80 HA ASP 80 4.606 11.418 4.896 638 1HB ASP 80 1HB ASP 80 3.314 10.886 7.553 639 2HB ASP 80 2HB ASP 80 4.528 12.091 7.133 640 H GLU 81 H GLU 81 4.485 8.899 3.945 641 HA GLU 81 HA GLU 81 5.460 6.848 4.076 642 1HB GLU 81 1HB GLU 81 6.925 7.879 6.502 643 2HB GLU 81 2HB GLU 81 7.440 6.622 5.386 644 1HG GLU 81 1HG GLU 81 7.576 8.348 3.602 645 2HG GLU 81 2HG GLU 81 7.230 9.569 4.825 646 H ASP 82 H ASP 82 2.972 6.980 5.198 647 HA ASP 82 HA ASP 82 2.948 5.858 7.841 648 1HB ASP 82 1HB ASP 82 0.641 6.001 7.734 649 2HB ASP 82 2HB ASP 82 1.113 7.263 6.600 650 H THR 83 H THR 83 2.076 3.754 8.374 651 HA THR 83 HA THR 83 2.679 1.739 6.307 652 HB THR 83 HB THR 83 2.859 1.238 9.273 653 HG1 THR 83 1HG THR 83 4.944 2.045 7.500 654 1HG2 THR 83 1HG2 THR 83 3.052 -0.395 6.969 655 2HG2 THR 83 2HG2 THR 83 3.338 -0.846 8.650 656 3HG2 THR 83 3HG2 THR 83 4.671 -0.263 7.654 657 H ILE 84 H ILE 84 0.816 0.970 5.541 658 HA ILE 84 HA ILE 84 -1.520 0.759 7.258 659 HB ILE 84 HB ILE 84 -1.280 -0.013 4.351 660 1HG1 ILE 84 1HG1 ILE 84 -2.678 2.342 4.410 661 2HG1 ILE 84 2HG1 ILE 84 -1.473 2.613 5.664 662 1HG2 ILE 84 1HG2 ILE 84 -3.616 0.472 6.184 663 2HG2 ILE 84 2HG2 ILE 84 -3.763 0.421 4.428 664 3HG2 ILE 84 3HG2 ILE 84 -3.207 -1.003 5.307 665 1HD1 ILE 84 1HD1 ILE 84 0.268 2.571 4.187 666 2HD1 ILE 84 2HD1 ILE 84 -0.589 1.549 3.033 667 3HD1 ILE 84 3HD1 ILE 84 -1.003 3.257 3.176 668 H ASP 85 H ASP 85 -2.049 -1.027 8.315 669 HA ASP 85 HA ASP 85 -0.562 -3.457 7.949 670 1HB ASP 85 1HB ASP 85 -2.747 -2.572 9.806 671 2HB ASP 85 2HB ASP 85 -2.309 -4.275 9.705 672 H VAL 86 H VAL 86 -1.115 -5.228 6.836 673 HA VAL 86 HA VAL 86 -3.887 -5.524 5.916 674 HB VAL 86 HB VAL 86 -1.448 -5.735 4.147 675 1HG1 VAL 86 1HG1 VAL 86 -2.886 -7.503 3.508 676 2HG1 VAL 86 2HG1 VAL 86 -4.321 -6.487 3.661 677 3HG1 VAL 86 3HG1 VAL 86 -3.168 -6.198 2.357 678 1HG2 VAL 86 1HG2 VAL 86 -1.862 -3.624 3.603 679 2HG2 VAL 86 2HG2 VAL 86 -3.484 -4.075 3.079 680 3HG2 VAL 86 3HG2 VAL 86 -3.203 -3.580 4.748 681 H PHE 87 H PHE 87 -4.631 -7.589 5.860 682 HA PHE 87 HA PHE 87 -2.984 -9.608 7.112 683 1HB PHE 87 1HB PHE 87 -5.565 -9.100 7.409 684 2HB PHE 87 2HB PHE 87 -5.709 -10.210 6.050 685 HD1 PHE 87 1HD PHE 87 -5.576 -9.951 9.542 686 HD2 PHE 87 2HD PHE 87 -4.389 -12.464 6.318 687 HE1 PHE 87 1HE PHE 87 -5.418 -11.857 11.090 688 HE2 PHE 87 2HE PHE 87 -4.230 -14.374 7.861 689 HZ PHE 87 HZ PHE 87 -4.746 -14.072 10.250 690 H GLN 88 H GLN 88 -1.730 -10.955 6.021 691 HA GLN 88 HA GLN 88 -2.415 -11.562 3.221 692 1HB GLN 88 1HB GLN 88 0.151 -10.993 4.585 693 2HB GLN 88 2HB GLN 88 0.185 -12.267 3.374 694 1HG GLN 88 1HG GLN 88 -1.182 -9.802 2.554 695 2HG GLN 88 2HG GLN 88 0.548 -9.646 2.850 696 1HE2 GLN 88 1HE2 GLN 88 1.488 -9.617 0.931 697 2HE2 GLN 88 2HE2 GLN 88 1.221 -10.753 -0.343 698 H GLN 89 H GLN 89 -1.621 -13.720 2.462 699 HA GLN 89 HA GLN 89 -1.961 -15.730 4.590 700 1HB GLN 89 1HB GLN 89 -3.865 -15.590 2.996 701 2HB GLN 89 2HB GLN 89 -2.761 -15.984 1.686 702 1HG GLN 89 1HG GLN 89 -4.171 -17.869 2.638 703 2HG GLN 89 2HG GLN 89 -2.444 -18.165 2.447 704 1HE2 GLN 89 1HE2 GLN 89 -1.808 -19.426 4.039 705 2HE2 GLN 89 2HE2 GLN 89 -2.202 -19.231 5.710 706 H GLN 90 H GLN 90 -0.144 -14.713 1.806 707 HA GLN 90 HA GLN 90 1.592 -17.074 2.063 708 1HB GLN 90 1HB GLN 90 0.570 -16.627 -0.177 709 2HB GLN 90 2HB GLN 90 1.461 -15.112 -0.231 710 1HG GLN 90 1HG GLN 90 2.543 -16.904 -1.511 711 2HG GLN 90 2HG GLN 90 3.558 -16.286 -0.210 712 1HE2 GLN 90 1HE2 GLN 90 1.012 -18.739 -0.560 713 2HE2 GLN 90 2HE2 GLN 90 1.875 -19.994 0.256 714 H THR 91 H THR 91 3.909 -16.737 1.880 715 HA THR 91 HA THR 91 4.715 -14.252 3.212 716 HB THR 91 HB THR 91 6.763 -15.421 3.844 717 HG1 THR 91 1HG THR 91 5.655 -17.525 2.279 718 1HG2 THR 91 1HG2 THR 91 4.142 -16.105 4.692 719 2HG2 THR 91 2HG2 THR 91 5.642 -16.167 5.617 720 3HG2 THR 91 3HG2 THR 91 5.111 -17.578 4.701 721 H GLY 92 H GLY 92 6.850 -13.336 2.615 722 1HA GLY 92 2HA GLY 92 7.676 -13.856 -0.144 723 2HA GLY 92 3HA GLY 92 7.104 -12.239 0.238 724 H GLY 93 H GLY 93 8.376 -10.864 1.480 725 1HA GLY 93 2HA GLY 93 11.197 -11.639 1.575 726 2HA GLY 93 3HA GLY 93 10.568 -10.001 1.681 727 H VAL 94 H VAL 94 9.618 -9.306 3.680 728 HA VAL 94 HA VAL 94 10.244 -10.976 6.010 729 HB VAL 94 HB VAL 94 11.131 -8.969 7.197 730 1HG1 VAL 94 1HG1 VAL 94 12.659 -10.630 6.329 731 2HG1 VAL 94 2HG1 VAL 94 12.637 -9.862 4.741 732 3HG1 VAL 94 3HG1 VAL 94 13.350 -9.022 6.119 733 1HG2 VAL 94 1HG2 VAL 94 11.435 -7.718 4.482 734 2HG2 VAL 94 2HG2 VAL 94 10.061 -7.366 5.530 735 3HG2 VAL 94 3HG2 VAL 94 11.697 -6.986 6.065 736 H TYR 95 H TYR 95 9.050 -10.471 7.901 737 HA TYR 95 HA TYR 95 6.547 -9.048 7.324 738 1HB TYR 95 1HB TYR 95 5.503 -10.388 8.989 739 2HB TYR 95 2HB TYR 95 6.503 -11.479 8.037 740 HD1 TYR 95 1HD TYR 95 6.106 -9.827 11.287 741 HD2 TYR 95 2HD TYR 95 8.454 -12.538 8.999 742 HE1 TYR 95 1HE TYR 95 7.216 -10.592 13.344 743 HE2 TYR 95 2HE TYR 95 9.570 -13.312 11.050 744 HH TYR 95 HH TYR 95 9.355 -11.669 13.990 Start of MODEL 17 1 1H MET 1 1H MET 1 -8.519 15.576 19.583 2 HA MET 1 HA MET 1 -10.818 14.615 18.115 3 1HB MET 1 1HB MET 1 -11.160 14.232 20.668 4 2HB MET 1 2HB MET 1 -11.394 15.974 20.727 5 1HG MET 1 1HG MET 1 -13.539 15.051 20.553 6 2HG MET 1 2HG MET 1 -13.157 15.669 18.948 7 1HE MET 1 1HE MET 1 -15.018 12.311 20.220 8 2HE MET 1 2HE MET 1 -15.356 13.992 19.805 9 3HE MET 1 3HE MET 1 -15.515 12.732 18.580 10 H ALA 2 H ALA 2 -11.027 16.097 16.580 11 HA ALA 2 HA ALA 2 -11.038 18.090 15.474 12 1HB ALA 2 1HB ALA 2 -12.795 18.274 17.551 13 2HB ALA 2 2HB ALA 2 -11.787 19.700 17.799 14 3HB ALA 2 3HB ALA 2 -12.620 19.466 16.262 15 H ASP 3 H ASP 3 -8.531 17.344 16.551 16 HA ASP 3 HA ASP 3 -7.383 19.912 17.405 17 1HB ASP 3 1HB ASP 3 -6.622 17.065 17.844 18 2HB ASP 3 2HB ASP 3 -5.326 18.254 17.750 19 H GLU 4 H GLU 4 -5.812 20.918 16.233 20 HA GLU 4 HA GLU 4 -5.327 19.837 13.547 21 1HB GLU 4 1HB GLU 4 -5.464 22.592 14.683 22 2HB GLU 4 2HB GLU 4 -4.432 22.319 13.286 23 1HG GLU 4 1HG GLU 4 -6.748 23.105 12.772 24 2HG GLU 4 2HG GLU 4 -6.257 21.624 11.954 25 H LYS 5 H LYS 5 -3.362 19.190 12.942 26 HA LYS 5 HA LYS 5 -0.963 20.266 14.106 27 1HB LYS 5 1HB LYS 5 -0.143 17.971 14.819 28 2HB LYS 5 2HB LYS 5 -1.351 18.720 15.855 29 1HG LYS 5 1HG LYS 5 -3.032 17.273 15.149 30 2HG LYS 5 2HG LYS 5 -2.142 16.795 13.702 31 1HD LYS 5 1HD LYS 5 -0.680 15.430 14.909 32 2HD LYS 5 2HD LYS 5 -1.072 16.210 16.443 33 1HE LYS 5 1HE LYS 5 -3.451 15.291 16.035 34 2HE LYS 5 2HE LYS 5 -2.673 14.225 14.867 35 1HZ LYS 5 1HZ LYS 5 -1.498 13.143 16.507 36 2HZ LYS 5 2HZ LYS 5 -2.966 13.443 17.291 37 3HZ LYS 5 3HZ LYS 5 -1.622 14.420 17.611 38 HA PRO 6 HA PRO 6 -0.675 18.752 9.726 39 1HB PRO 6 1HB PRO 6 0.417 21.042 8.761 40 2HB PRO 6 2HB PRO 6 -1.327 20.794 8.899 41 1HG PRO 6 1HG PRO 6 0.527 22.272 10.726 42 2HG PRO 6 2HG PRO 6 -1.091 22.731 10.165 43 1HD PRO 6 1HD PRO 6 -0.647 21.661 12.612 44 2HD PRO 6 2HD PRO 6 -2.146 21.378 11.704 45 H LYS 7 H LYS 7 1.057 17.605 9.154 46 HA LYS 7 HA LYS 7 3.728 18.580 9.887 47 1HB LYS 7 1HB LYS 7 4.375 16.228 10.441 48 2HB LYS 7 2HB LYS 7 3.230 16.945 11.568 49 1HG LYS 7 1HG LYS 7 1.474 15.628 10.822 50 2HG LYS 7 2HG LYS 7 2.269 15.263 9.289 51 1HD LYS 7 1HD LYS 7 2.624 13.287 10.374 52 2HD LYS 7 2HD LYS 7 4.060 14.165 10.904 53 1HE LYS 7 1HE LYS 7 1.529 14.289 12.497 54 2HE LYS 7 2HE LYS 7 2.612 12.907 12.652 55 1HZ LYS 7 1HZ LYS 7 3.642 14.161 14.164 56 2HZ LYS 7 2HZ LYS 7 2.913 15.594 13.638 57 3HZ LYS 7 3HZ LYS 7 4.294 15.010 12.854 58 H GLU 8 H GLU 8 2.844 19.042 7.429 59 HA GLU 8 HA GLU 8 4.277 17.055 5.803 60 1HB GLU 8 1HB GLU 8 1.529 18.131 5.431 61 2HB GLU 8 2HB GLU 8 2.509 17.903 3.990 62 1HG GLU 8 1HG GLU 8 1.784 15.799 6.015 63 2HG GLU 8 2HG GLU 8 1.139 15.961 4.382 64 H GLY 9 H GLY 9 4.824 17.995 3.585 65 1HA GLY 9 2HA GLY 9 5.334 20.888 3.737 66 2HA GLY 9 3HA GLY 9 6.678 19.792 3.452 67 H VAL 10 H VAL 10 7.072 20.863 1.456 68 HA VAL 10 HA VAL 10 5.247 19.981 -0.678 69 HB VAL 10 HB VAL 10 6.675 22.643 -0.628 70 1HG1 VAL 10 1HG1 VAL 10 5.171 21.145 -2.684 71 2HG1 VAL 10 2HG1 VAL 10 4.842 22.875 -2.567 72 3HG1 VAL 10 3HG1 VAL 10 6.486 22.306 -2.859 73 1HG2 VAL 10 1HG2 VAL 10 3.723 22.086 -0.368 74 2HG2 VAL 10 2HG2 VAL 10 4.788 22.492 0.978 75 3HG2 VAL 10 3HG2 VAL 10 4.516 23.661 -0.314 76 H LYS 11 H LYS 11 6.194 19.160 -2.483 77 HA LYS 11 HA LYS 11 9.122 19.302 -2.691 78 1HB LYS 11 1HB LYS 11 7.418 16.815 -2.886 79 2HB LYS 11 2HB LYS 11 9.096 16.891 -3.405 80 1HG LYS 11 1HG LYS 11 9.396 16.066 -1.315 81 2HG LYS 11 2HG LYS 11 9.437 17.791 -0.941 82 1HD LYS 11 1HD LYS 11 7.159 17.760 -0.219 83 2HD LYS 11 2HD LYS 11 6.937 16.112 -0.812 84 1HE LYS 11 1HE LYS 11 9.031 16.690 1.240 85 2HE LYS 11 2HE LYS 11 7.343 16.547 1.728 86 1HZ LYS 11 1HZ LYS 11 7.270 14.343 0.784 87 2HZ LYS 11 2HZ LYS 11 8.541 14.439 1.897 88 3HZ LYS 11 3HZ LYS 11 8.866 14.478 0.237 89 H THR 12 H THR 12 9.910 18.620 -4.866 90 HA THR 12 HA THR 12 7.948 18.899 -7.011 91 HB THR 12 HB THR 12 9.645 20.512 -8.146 92 HG1 THR 12 1HG THR 12 10.144 21.378 -5.519 93 1HG2 THR 12 1HG2 THR 12 7.333 20.904 -6.547 94 2HG2 THR 12 2HG2 THR 12 7.937 21.912 -7.863 95 3HG2 THR 12 3HG2 THR 12 8.453 22.222 -6.205 96 H GLU 13 H GLU 13 8.383 17.601 -8.689 97 HA GLU 13 HA GLU 13 11.106 16.800 -9.287 98 1HB GLU 13 1HB GLU 13 8.999 14.760 -8.552 99 2HB GLU 13 2HB GLU 13 10.591 14.392 -9.200 100 1HG GLU 13 1HG GLU 13 11.583 15.501 -7.202 101 2HG GLU 13 2HG GLU 13 9.954 15.642 -6.541 102 H ASN 14 H ASN 14 10.763 14.855 -11.082 103 HA ASN 14 HA ASN 14 9.546 16.235 -13.281 104 1HB ASN 14 1HB ASN 14 10.832 13.500 -13.125 105 2HB ASN 14 2HB ASN 14 10.337 14.296 -14.617 106 1HD2 ASN 14 1HD2 ASN 14 11.459 16.144 -15.307 107 2HD2 ASN 14 2HD2 ASN 14 13.055 16.490 -14.742 108 H ASN 15 H ASN 15 9.148 12.811 -12.406 109 HA ASN 15 HA ASN 15 6.410 12.901 -13.377 110 1HB ASN 15 1HB ASN 15 8.174 10.627 -12.452 111 2HB ASN 15 2HB ASN 15 6.498 10.415 -12.951 112 1HD2 ASN 15 1HD2 ASN 15 7.418 8.979 -14.550 113 2HD2 ASN 15 2HD2 ASN 15 8.033 9.637 -16.024 114 H ASP 16 H ASP 16 4.991 11.203 -11.952 115 HA ASP 16 HA ASP 16 4.471 12.628 -9.523 116 1HB ASP 16 1HB ASP 16 3.240 10.184 -10.794 117 2HB ASP 16 2HB ASP 16 2.715 10.795 -9.227 118 H HIS 17 H HIS 17 4.295 11.609 -7.404 119 HA HIS 17 HA HIS 17 5.738 9.163 -6.918 120 1HB HIS 17 1HB HIS 17 7.336 10.326 -5.310 121 2HB HIS 17 2HB HIS 17 7.670 10.530 -7.027 122 HD1 HIS 17 1HD HIS 17 7.132 12.890 -8.056 123 HD2 HIS 17 2HD HIS 17 6.787 12.651 -3.923 124 HE1 HIS 17 1HE HIS 17 7.065 15.271 -7.248 125 H ILE 18 H ILE 18 4.026 8.348 -5.809 126 HA ILE 18 HA ILE 18 2.923 9.908 -3.587 127 HB ILE 18 HB ILE 18 1.069 8.415 -3.563 128 1HG1 ILE 18 1HG1 ILE 18 2.528 6.727 -5.607 129 2HG1 ILE 18 2HG1 ILE 18 2.392 6.332 -3.897 130 1HG2 ILE 18 1HG2 ILE 18 1.823 8.980 -6.427 131 2HG2 ILE 18 2HG2 ILE 18 0.198 8.636 -5.835 132 3HG2 ILE 18 3HG2 ILE 18 1.031 10.103 -5.322 133 1HD1 ILE 18 1HD1 ILE 18 -0.148 6.473 -4.305 134 2HD1 ILE 18 2HD1 ILE 18 0.283 6.322 -6.008 135 3HD1 ILE 18 3HD1 ILE 18 0.735 5.055 -4.868 136 H ASN 19 H ASN 19 2.067 8.121 -1.827 137 HA ASN 19 HA ASN 19 4.334 6.397 -1.125 138 1HB ASN 19 1HB ASN 19 4.302 8.751 0.030 139 2HB ASN 19 2HB ASN 19 3.030 8.039 1.018 140 1HD2 ASN 19 1HD2 ASN 19 3.585 5.904 2.004 141 2HD2 ASN 19 2HD2 ASN 19 5.189 5.712 2.618 142 H LEU 20 H LEU 20 3.783 4.503 -0.166 143 HA LEU 20 HA LEU 20 1.065 4.145 0.841 144 1HB LEU 20 1HB LEU 20 2.173 2.949 -1.603 145 2HB LEU 20 2HB LEU 20 1.395 1.809 -0.507 146 HG LEU 20 HG LEU 20 -0.558 3.579 -0.593 147 1HD1 LEU 20 1HD1 LEU 20 -0.282 4.064 -3.326 148 2HD1 LEU 20 2HD1 LEU 20 1.267 4.513 -2.614 149 3HD1 LEU 20 3HD1 LEU 20 -0.222 5.246 -2.018 150 1HD2 LEU 20 1HD2 LEU 20 -1.655 2.045 -1.829 151 2HD2 LEU 20 2HD2 LEU 20 -0.180 1.108 -1.593 152 3HD2 LEU 20 3HD2 LEU 20 -0.419 2.014 -3.087 153 H LYS 21 H LYS 21 0.813 2.349 2.238 154 HA LYS 21 HA LYS 21 3.156 0.776 2.919 155 1HB LYS 21 1HB LYS 21 2.576 1.444 5.428 156 2HB LYS 21 2HB LYS 21 3.731 2.357 4.465 157 1HG LYS 21 1HG LYS 21 1.992 3.978 3.911 158 2HG LYS 21 2HG LYS 21 0.830 3.061 4.871 159 1HD LYS 21 1HD LYS 21 3.389 4.096 6.055 160 2HD LYS 21 2HD LYS 21 1.938 5.097 5.963 161 1HE LYS 21 1HE LYS 21 0.751 3.136 7.113 162 2HE LYS 21 2HE LYS 21 2.370 2.546 7.486 163 1HZ LYS 21 1HZ LYS 21 0.998 4.218 9.046 164 2HZ LYS 21 2HZ LYS 21 1.883 5.330 8.129 165 3HZ LYS 21 3HZ LYS 21 2.687 4.137 9.018 166 H VAL 22 H VAL 22 2.319 -1.204 2.801 167 HA VAL 22 HA VAL 22 -0.416 -1.702 3.674 168 HB VAL 22 HB VAL 22 0.007 -4.018 2.804 169 1HG1 VAL 22 1HG1 VAL 22 0.333 -3.109 0.349 170 2HG1 VAL 22 2HG1 VAL 22 -1.139 -2.773 1.264 171 3HG1 VAL 22 3HG1 VAL 22 0.127 -1.550 1.147 172 1HG2 VAL 22 1HG2 VAL 22 2.247 -3.415 1.153 173 2HG2 VAL 22 2HG2 VAL 22 2.691 -3.113 2.833 174 3HG2 VAL 22 3HG2 VAL 22 2.074 -4.695 2.355 175 H ALA 23 H ALA 23 -0.794 -2.211 5.720 176 HA ALA 23 HA ALA 23 1.134 -3.938 7.123 177 1HB ALA 23 1HB ALA 23 0.655 -1.273 7.740 178 2HB ALA 23 2HB ALA 23 -0.277 -2.180 8.932 179 3HB ALA 23 3HB ALA 23 1.455 -2.468 8.761 180 H GLY 24 H GLY 24 0.244 -5.750 7.862 181 1HA GLY 24 2HA GLY 24 -2.610 -6.130 7.718 182 2HA GLY 24 3HA GLY 24 -1.418 -7.333 8.187 183 H GLN 25 H GLN 25 -4.056 -6.400 9.355 184 HA GLN 25 HA GLN 25 -3.640 -5.064 11.772 185 1HB GLN 25 1HB GLN 25 -5.871 -5.330 10.980 186 2HB GLN 25 2HB GLN 25 -5.718 -7.082 10.933 187 1HG GLN 25 1HG GLN 25 -7.087 -6.253 12.813 188 2HG GLN 25 2HG GLN 25 -5.695 -7.209 13.320 189 1HE2 GLN 25 1HE2 GLN 25 -6.250 -3.807 12.461 190 2HE2 GLN 25 2HE2 GLN 25 -5.510 -3.152 13.879 191 H ASP 26 H ASP 26 -2.796 -8.241 10.820 192 HA ASP 26 HA ASP 26 -2.709 -9.361 13.470 193 1HB ASP 26 1HB ASP 26 -1.666 -10.317 10.802 194 2HB ASP 26 2HB ASP 26 -1.457 -11.226 12.296 195 H GLY 27 H GLY 27 -0.049 -9.095 11.116 196 1HA GLY 27 2HA GLY 27 1.598 -7.562 12.894 197 2HA GLY 27 3HA GLY 27 2.050 -9.260 12.870 198 H SER 28 H SER 28 1.013 -6.965 10.348 199 HA SER 28 HA SER 28 3.542 -7.512 8.945 200 1HB SER 28 1HB SER 28 0.747 -7.784 7.965 201 2HB SER 28 2HB SER 28 1.928 -7.108 6.844 202 HG SER 28 HG SER 28 3.224 -9.059 7.623 203 H VAL 29 H VAL 29 4.288 -5.835 7.549 204 HA VAL 29 HA VAL 29 2.982 -3.348 7.254 205 HB VAL 29 HB VAL 29 3.402 -3.019 9.603 206 1HG1 VAL 29 1HG1 VAL 29 6.340 -3.423 9.091 207 2HG1 VAL 29 2HG1 VAL 29 5.522 -3.230 10.642 208 3HG1 VAL 29 3HG1 VAL 29 5.283 -4.698 9.695 209 1HG2 VAL 29 1HG2 VAL 29 5.404 -1.467 7.963 210 2HG2 VAL 29 2HG2 VAL 29 3.689 -1.085 8.126 211 3HG2 VAL 29 3HG2 VAL 29 4.752 -0.989 9.531 212 H VAL 30 H VAL 30 3.748 -2.669 5.374 213 HA VAL 30 HA VAL 30 6.627 -2.653 4.899 214 HB VAL 30 HB VAL 30 4.723 -3.850 2.883 215 1HG1 VAL 30 1HG1 VAL 30 6.515 -2.868 1.724 216 2HG1 VAL 30 2HG1 VAL 30 7.693 -3.396 2.927 217 3HG1 VAL 30 3HG1 VAL 30 6.937 -4.575 1.854 218 1HG2 VAL 30 1HG2 VAL 30 4.971 -5.339 4.798 219 2HG2 VAL 30 2HG2 VAL 30 5.796 -5.996 3.384 220 3HG2 VAL 30 3HG2 VAL 30 6.726 -5.228 4.671 221 H GLN 31 H GLN 31 7.193 -0.730 4.141 222 HA GLN 31 HA GLN 31 5.138 0.957 2.900 223 1HB GLN 31 1HB GLN 31 6.875 2.787 3.328 224 2HB GLN 31 2HB GLN 31 6.076 2.091 4.731 225 1HG GLN 31 1HG GLN 31 8.564 0.753 3.959 226 2HG GLN 31 2HG GLN 31 8.752 2.429 4.474 227 1HE2 GLN 31 1HE2 GLN 31 9.982 0.809 6.046 228 2HE2 GLN 31 2HE2 GLN 31 9.119 0.483 7.507 229 H PHE 32 H PHE 32 5.646 2.210 1.028 230 HA PHE 32 HA PHE 32 8.028 1.523 -0.479 231 1HB PHE 32 1HB PHE 32 5.417 0.344 -1.027 232 2HB PHE 32 2HB PHE 32 6.077 1.194 -2.420 233 HD1 PHE 32 1HD PHE 32 8.003 0.377 -3.576 234 HD2 PHE 32 2HD PHE 32 6.590 -1.573 -0.066 235 HE1 PHE 32 1HE PHE 32 9.443 -1.555 -4.074 236 HE2 PHE 32 2HE PHE 32 8.028 -3.508 -0.559 237 HZ PHE 32 HZ PHE 32 9.457 -3.500 -2.564 238 H LYS 33 H LYS 33 8.020 2.719 -2.637 239 HA LYS 33 HA LYS 33 6.425 5.161 -2.609 240 1HB LYS 33 1HB LYS 33 9.366 5.022 -2.162 241 2HB LYS 33 2HB LYS 33 8.754 6.328 -3.168 242 1HG LYS 33 1HG LYS 33 7.309 5.944 -0.645 243 2HG LYS 33 2HG LYS 33 8.996 6.435 -0.473 244 1HD LYS 33 1HD LYS 33 8.105 8.081 -2.475 245 2HD LYS 33 2HD LYS 33 6.685 7.947 -1.436 246 1HE LYS 33 1HE LYS 33 7.706 9.673 -0.375 247 2HE LYS 33 2HE LYS 33 8.531 8.348 0.445 248 1HZ LYS 33 1HZ LYS 33 10.363 9.433 -0.203 249 2HZ LYS 33 2HZ LYS 33 9.570 10.292 -1.425 250 3HZ LYS 33 3HZ LYS 33 10.086 8.705 -1.706 251 H ILE 34 H ILE 34 5.706 5.558 -4.591 252 HA ILE 34 HA ILE 34 7.376 5.246 -6.909 253 HB ILE 34 HB ILE 34 6.276 2.931 -6.313 254 1HG1 ILE 34 1HG1 ILE 34 5.924 3.796 -9.161 255 2HG1 ILE 34 2HG1 ILE 34 7.531 3.804 -8.443 256 1HG2 ILE 34 1HG2 ILE 34 3.992 4.167 -6.277 257 2HG2 ILE 34 2HG2 ILE 34 4.075 3.995 -8.029 258 3HG2 ILE 34 3HG2 ILE 34 4.101 2.563 -7.001 259 1HD1 ILE 34 1HD1 ILE 34 6.262 1.319 -7.861 260 2HD1 ILE 34 2HD1 ILE 34 6.151 1.646 -9.591 261 3HD1 ILE 34 3HD1 ILE 34 7.724 1.635 -8.795 262 H LYS 35 H LYS 35 6.093 5.761 -8.947 263 HA LYS 35 HA LYS 35 4.803 8.236 -8.623 264 1HB LYS 35 1HB LYS 35 4.245 8.010 -11.043 265 2HB LYS 35 2HB LYS 35 5.944 7.733 -10.680 266 1HG LYS 35 1HG LYS 35 4.995 5.211 -10.531 267 2HG LYS 35 2HG LYS 35 3.911 5.898 -11.743 268 1HD LYS 35 1HD LYS 35 5.776 6.562 -13.110 269 2HD LYS 35 2HD LYS 35 6.920 6.072 -11.859 270 1HE LYS 35 1HE LYS 35 4.985 4.120 -13.063 271 2HE LYS 35 2HE LYS 35 6.524 4.485 -13.844 272 1HZ LYS 35 1HZ LYS 35 6.666 2.537 -12.407 273 2HZ LYS 35 2HZ LYS 35 6.209 3.468 -11.071 274 3HZ LYS 35 3HZ LYS 35 7.676 3.777 -11.855 275 H ARG 36 H ARG 36 2.598 8.394 -10.116 276 HA ARG 36 HA ARG 36 0.644 6.901 -8.530 277 1HB ARG 36 1HB ARG 36 -0.937 8.582 -9.104 278 2HB ARG 36 2HB ARG 36 0.557 9.418 -8.703 279 1HG ARG 36 1HG ARG 36 1.050 9.726 -11.054 280 2HG ARG 36 2HG ARG 36 -0.396 8.815 -11.495 281 1HD ARG 36 1HD ARG 36 -1.828 10.489 -10.659 282 2HD ARG 36 2HD ARG 36 -0.516 11.288 -9.793 283 HE ARG 36 HE ARG 36 -0.048 12.447 -11.697 284 1HH1 ARG 36 2HH1 ARG 36 -1.844 9.590 -12.554 285 2HH1 ARG 36 1HH1 ARG 36 -1.972 10.014 -14.229 286 1HH2 ARG 36 2HH2 ARG 36 -0.210 13.016 -13.900 287 2HH2 ARG 36 1HH2 ARG 36 -1.042 11.963 -14.994 288 H HIS 37 H HIS 37 2.145 6.667 -11.477 289 HA HIS 37 HA HIS 37 -0.184 5.414 -12.764 290 1HB HIS 37 1HB HIS 37 1.077 7.263 -13.965 291 2HB HIS 37 2HB HIS 37 2.427 6.140 -14.093 292 HD1 HIS 37 1HD HIS 37 -0.981 4.737 -14.492 293 HD2 HIS 37 2HD HIS 37 2.082 6.162 -16.910 294 HE1 HIS 37 1HE HIS 37 -1.561 3.989 -16.822 295 H THR 38 H THR 38 1.116 4.041 -10.693 296 HA THR 38 HA THR 38 2.586 1.936 -12.137 297 HB THR 38 HB THR 38 2.745 2.895 -9.300 298 HG1 THR 38 1HG THR 38 4.208 3.495 -11.149 299 1HG2 THR 38 1HG2 THR 38 3.481 0.155 -10.321 300 2HG2 THR 38 2HG2 THR 38 2.417 0.559 -8.973 301 3HG2 THR 38 3HG2 THR 38 4.151 0.851 -8.846 302 HA PRO 39 HA PRO 39 -0.941 -0.663 -11.503 303 1HB PRO 39 1HB PRO 39 0.240 -3.012 -12.179 304 2HB PRO 39 2HB PRO 39 -0.237 -1.798 -13.372 305 1HG PRO 39 1HG PRO 39 2.460 -2.335 -12.190 306 2HG PRO 39 2HG PRO 39 2.025 -1.994 -13.875 307 1HD PRO 39 1HD PRO 39 3.054 -0.109 -12.227 308 2HD PRO 39 2HD PRO 39 1.894 0.279 -13.514 309 H LEU 40 H LEU 40 -1.630 -1.165 -9.523 310 HA LEU 40 HA LEU 40 -0.110 -1.685 -7.289 311 1HB LEU 40 1HB LEU 40 -2.922 -2.338 -8.046 312 2HB LEU 40 2HB LEU 40 -2.264 -2.971 -6.539 313 HG LEU 40 HG LEU 40 -2.324 -0.037 -7.223 314 1HD1 LEU 40 1HD1 LEU 40 -4.601 -1.094 -7.112 315 2HD1 LEU 40 2HD1 LEU 40 -4.303 0.185 -5.936 316 3HD1 LEU 40 3HD1 LEU 40 -4.248 -1.505 -5.434 317 1HD2 LEU 40 1HD2 LEU 40 -1.094 -1.567 -5.160 318 2HD2 LEU 40 2HD2 LEU 40 -2.375 -0.586 -4.448 319 3HD2 LEU 40 3HD2 LEU 40 -1.096 0.182 -5.390 320 H SER 41 H SER 41 -1.133 -3.887 -9.798 321 HA SER 41 HA SER 41 -0.817 -6.344 -8.594 322 1HB SER 41 1HB SER 41 0.142 -6.936 -11.025 323 2HB SER 41 2HB SER 41 -1.567 -6.603 -10.743 324 HG SER 41 HG SER 41 0.358 -5.074 -12.033 325 H LYS 42 H LYS 42 1.689 -4.358 -10.144 326 HA LYS 42 HA LYS 42 3.861 -6.030 -9.887 327 1HB LYS 42 1HB LYS 42 5.232 -4.137 -10.155 328 2HB LYS 42 2HB LYS 42 3.732 -3.718 -10.971 329 1HG LYS 42 1HG LYS 42 3.988 -1.805 -9.812 330 2HG LYS 42 2HG LYS 42 3.190 -2.736 -8.542 331 1HD LYS 42 1HD LYS 42 5.003 -1.917 -7.394 332 2HD LYS 42 2HD LYS 42 5.648 -3.458 -7.964 333 1HE LYS 42 1HE LYS 42 6.779 -2.373 -9.784 334 2HE LYS 42 2HE LYS 42 6.007 -0.834 -9.406 335 1HZ LYS 42 1HZ LYS 42 7.179 -0.848 -7.268 336 2HZ LYS 42 2HZ LYS 42 8.250 -0.856 -8.577 337 3HZ LYS 42 3HZ LYS 42 7.968 -2.279 -7.707 338 H LEU 43 H LEU 43 2.211 -4.204 -7.423 339 HA LEU 43 HA LEU 43 4.265 -4.446 -5.445 340 1HB LEU 43 1HB LEU 43 2.265 -2.776 -5.622 341 2HB LEU 43 2HB LEU 43 1.384 -4.041 -4.769 342 HG LEU 43 HG LEU 43 2.988 -3.894 -2.916 343 1HD1 LEU 43 1HD1 LEU 43 4.216 -1.411 -3.438 344 2HD1 LEU 43 2HD1 LEU 43 4.514 -2.440 -4.838 345 3HD1 LEU 43 3HD1 LEU 43 4.983 -2.986 -3.228 346 1HD2 LEU 43 1HD2 LEU 43 1.399 -1.542 -3.812 347 2HD2 LEU 43 2HD2 LEU 43 2.428 -1.374 -2.390 348 3HD2 LEU 43 3HD2 LEU 43 1.163 -2.604 -2.424 349 H MET 44 H MET 44 1.217 -6.143 -6.100 350 HA MET 44 HA MET 44 1.421 -7.923 -3.902 351 1HB MET 44 1HB MET 44 -0.693 -7.407 -5.114 352 2HB MET 44 2HB MET 44 -0.090 -8.321 -6.489 353 1HG MET 44 1HG MET 44 -0.149 -9.682 -3.860 354 2HG MET 44 2HG MET 44 -1.688 -9.379 -4.663 355 1HE MET 44 1HE MET 44 -2.328 -11.505 -4.648 356 2HE MET 44 2HE MET 44 -2.121 -12.534 -6.065 357 3HE MET 44 3HE MET 44 -1.148 -12.816 -4.621 358 H LYS 45 H LYS 45 2.081 -8.355 -7.376 359 HA LYS 45 HA LYS 45 2.918 -10.976 -7.367 360 1HB LYS 45 1HB LYS 45 2.672 -9.818 -9.445 361 2HB LYS 45 2HB LYS 45 3.896 -8.635 -9.001 362 1HG LYS 45 1HG LYS 45 5.598 -10.413 -9.056 363 2HG LYS 45 2HG LYS 45 4.357 -11.555 -9.577 364 1HD LYS 45 1HD LYS 45 4.641 -9.050 -11.138 365 2HD LYS 45 2HD LYS 45 5.925 -10.251 -11.297 366 1HE LYS 45 1HE LYS 45 4.373 -10.748 -12.999 367 2HE LYS 45 2HE LYS 45 4.092 -11.945 -11.736 368 1HZ LYS 45 1HZ LYS 45 2.519 -9.455 -11.793 369 2HZ LYS 45 2HZ LYS 45 2.120 -10.953 -11.115 370 3HZ LYS 45 3HZ LYS 45 2.092 -10.750 -12.794 371 H ALA 46 H ALA 46 4.927 -8.087 -6.835 372 HA ALA 46 HA ALA 46 7.355 -9.420 -6.424 373 1HB ALA 46 1HB ALA 46 6.292 -6.728 -5.790 374 2HB ALA 46 2HB ALA 46 7.749 -7.246 -4.942 375 3HB ALA 46 3HB ALA 46 7.725 -7.197 -6.704 376 H TYR 47 H TYR 47 4.841 -8.439 -4.122 377 HA TYR 47 HA TYR 47 6.070 -9.054 -1.738 378 1HB TYR 47 1HB TYR 47 3.635 -8.174 -2.338 379 2HB TYR 47 2HB TYR 47 3.218 -9.862 -2.068 380 HD1 TYR 47 1HD TYR 47 3.144 -6.845 -0.528 381 HD2 TYR 47 2HD TYR 47 4.638 -10.768 0.167 382 HE1 TYR 47 1HE TYR 47 3.079 -6.433 1.896 383 HE2 TYR 47 2HE TYR 47 4.576 -10.367 2.593 384 HH TYR 47 HH TYR 47 4.568 -8.533 4.156 385 H CYS 48 H CYS 48 4.069 -11.257 -3.702 386 HA CYS 48 HA CYS 48 4.307 -13.543 -2.188 387 1HB CYS 48 1HB CYS 48 2.927 -13.192 -4.294 388 2HB CYS 48 2HB CYS 48 4.389 -13.549 -5.204 389 HG CYS 48 HG CYS 48 2.282 -15.622 -3.667 390 H GLU 49 H GLU 49 6.484 -12.442 -4.777 391 HA GLU 49 HA GLU 49 8.264 -14.539 -4.827 392 1HB GLU 49 1HB GLU 49 8.195 -12.364 -6.231 393 2HB GLU 49 2HB GLU 49 9.228 -11.697 -4.975 394 1HG GLU 49 1HG GLU 49 10.861 -13.479 -5.389 395 2HG GLU 49 2HG GLU 49 9.833 -14.103 -6.678 396 H ARG 50 H ARG 50 8.009 -11.936 -2.490 397 HA ARG 50 HA ARG 50 10.471 -12.582 -1.157 398 1HB ARG 50 1HB ARG 50 9.104 -10.325 -1.235 399 2HB ARG 50 2HB ARG 50 8.298 -11.016 0.167 400 1HG ARG 50 1HG ARG 50 11.278 -10.929 0.080 401 2HG ARG 50 2HG ARG 50 10.366 -9.470 0.471 402 1HD ARG 50 1HD ARG 50 9.697 -12.007 1.882 403 2HD ARG 50 2HD ARG 50 11.155 -11.134 2.352 404 HE ARG 50 HE ARG 50 8.484 -10.430 2.986 405 1HH1 ARG 50 2HH1 ARG 50 11.571 -9.054 2.149 406 2HH1 ARG 50 1HH1 ARG 50 11.274 -7.559 2.973 407 1HH2 ARG 50 2HH2 ARG 50 8.082 -8.467 4.075 408 2HH2 ARG 50 1HH2 ARG 50 9.290 -7.227 4.070 409 H GLN 51 H GLN 51 7.097 -12.648 0.007 410 HA GLN 51 HA GLN 51 7.698 -15.165 1.393 411 1HB GLN 51 1HB GLN 51 6.263 -14.254 3.311 412 2HB GLN 51 2HB GLN 51 7.908 -13.646 3.168 413 1HG GLN 51 1HG GLN 51 7.043 -11.643 2.032 414 2HG GLN 51 2HG GLN 51 5.402 -12.246 2.262 415 1HE2 GLN 51 1HE2 GLN 51 6.658 -9.798 3.239 416 2HE2 GLN 51 2HE2 GLN 51 6.499 -9.834 4.959 417 H GLY 52 H GLY 52 6.515 -15.950 -0.531 418 1HA GLY 52 2HA GLY 52 3.670 -15.359 -0.627 419 2HA GLY 52 3HA GLY 52 4.557 -16.406 -1.725 420 H LEU 53 H LEU 53 3.455 -16.234 1.653 421 HA LEU 53 HA LEU 53 3.452 -19.138 1.826 422 1HB LEU 53 1HB LEU 53 2.466 -17.260 3.945 423 2HB LEU 53 2HB LEU 53 3.118 -18.887 4.130 424 HG LEU 53 HG LEU 53 4.703 -16.426 3.396 425 1HD1 LEU 53 1HD1 LEU 53 4.483 -16.051 5.603 426 2HD1 LEU 53 2HD1 LEU 53 5.717 -17.303 5.734 427 3HD1 LEU 53 3HD1 LEU 53 4.016 -17.716 5.950 428 1HD2 LEU 53 1HD2 LEU 53 5.259 -19.132 2.918 429 2HD2 LEU 53 2HD2 LEU 53 6.233 -18.674 4.316 430 3HD2 LEU 53 3HD2 LEU 53 6.371 -17.767 2.809 431 H SER 54 H SER 54 1.254 -16.528 1.297 432 HA SER 54 HA SER 54 -0.931 -18.449 1.019 433 1HB SER 54 1HB SER 54 -0.864 -17.125 3.320 434 2HB SER 54 2HB SER 54 -1.592 -15.853 2.339 435 HG SER 54 HG SER 54 -2.633 -18.286 3.155 436 H MET 55 H MET 55 -0.863 -18.192 -1.199 437 HA MET 55 HA MET 55 -1.123 -15.519 -2.324 438 1HB MET 55 1HB MET 55 -0.875 -16.623 -4.493 439 2HB MET 55 2HB MET 55 0.418 -17.091 -3.397 440 1HG MET 55 1HG MET 55 -0.627 -19.212 -2.983 441 2HG MET 55 2HG MET 55 -2.041 -18.741 -3.924 442 1HE MET 55 1HE MET 55 1.609 -20.732 -4.741 443 2HE MET 55 2HE MET 55 0.228 -20.947 -3.665 444 3HE MET 55 3HE MET 55 0.198 -21.638 -5.288 445 H ARG 56 H ARG 56 -3.244 -17.249 -0.820 446 HA ARG 56 HA ARG 56 -5.414 -16.610 -2.694 447 1HB ARG 56 1HB ARG 56 -5.213 -19.137 -1.045 448 2HB ARG 56 2HB ARG 56 -6.599 -18.663 -2.016 449 1HG ARG 56 1HG ARG 56 -3.857 -19.091 -3.170 450 2HG ARG 56 2HG ARG 56 -5.070 -20.367 -3.045 451 1HD ARG 56 1HD ARG 56 -5.391 -17.759 -4.527 452 2HD ARG 56 2HD ARG 56 -5.073 -19.330 -5.262 453 HE ARG 56 HE ARG 56 -7.415 -19.385 -3.647 454 1HH1 ARG 56 2HH1 ARG 56 -6.190 -18.375 -6.746 455 2HH1 ARG 56 1HH1 ARG 56 -7.729 -18.481 -7.535 456 1HH2 ARG 56 2HH2 ARG 56 -9.447 -19.527 -4.675 457 2HH2 ARG 56 1HH2 ARG 56 -9.581 -19.135 -6.355 458 H GLN 57 H GLN 57 -4.078 -15.800 0.083 459 HA GLN 57 HA GLN 57 -6.662 -15.305 1.407 460 1HB GLN 57 1HB GLN 57 -4.933 -16.948 2.500 461 2HB GLN 57 2HB GLN 57 -4.116 -15.464 2.973 462 1HG GLN 57 1HG GLN 57 -6.172 -14.713 4.091 463 2HG GLN 57 2HG GLN 57 -6.940 -16.241 3.662 464 1HE2 GLN 57 1HE2 GLN 57 -7.223 -17.149 5.606 465 2HE2 GLN 57 2HE2 GLN 57 -5.953 -17.509 6.721 466 H ILE 58 H ILE 58 -3.432 -14.115 0.687 467 HA ILE 58 HA ILE 58 -3.710 -11.604 1.974 468 HB ILE 58 HB ILE 58 -1.906 -12.374 -0.324 469 1HG1 ILE 58 1HG1 ILE 58 -1.400 -12.302 2.659 470 2HG1 ILE 58 2HG1 ILE 58 -1.564 -13.755 1.679 471 1HG2 ILE 58 1HG2 ILE 58 -2.437 -9.845 0.853 472 2HG2 ILE 58 2HG2 ILE 58 -0.808 -10.336 1.314 473 3HG2 ILE 58 3HG2 ILE 58 -1.255 -10.255 -0.390 474 1HD1 ILE 58 1HD1 ILE 58 0.447 -12.110 0.528 475 2HD1 ILE 58 2HD1 ILE 58 0.767 -12.283 2.255 476 3HD1 ILE 58 3HD1 ILE 58 0.598 -13.716 1.241 477 H ARG 59 H ARG 59 -4.922 -9.932 1.408 478 HA ARG 59 HA ARG 59 -5.373 -9.353 -1.418 479 1HB ARG 59 1HB ARG 59 -7.488 -10.062 0.569 480 2HB ARG 59 2HB ARG 59 -7.847 -8.839 -0.643 481 1HG ARG 59 1HG ARG 59 -6.926 -10.649 -2.297 482 2HG ARG 59 2HG ARG 59 -7.332 -11.749 -0.979 483 1HD ARG 59 1HD ARG 59 -9.617 -11.060 -1.011 484 2HD ARG 59 2HD ARG 59 -9.261 -9.744 -2.128 485 HE ARG 59 HE ARG 59 -9.401 -11.231 -3.856 486 1HH1 ARG 59 2HH1 ARG 59 -8.985 -12.993 -0.882 487 2HH1 ARG 59 1HH1 ARG 59 -9.222 -14.545 -1.616 488 1HH2 ARG 59 2HH2 ARG 59 -9.716 -13.268 -4.833 489 2HH2 ARG 59 1HH2 ARG 59 -9.637 -14.700 -3.864 490 H PHE 60 H PHE 60 -4.780 -7.316 -1.700 491 HA PHE 60 HA PHE 60 -4.544 -5.478 0.478 492 1HB PHE 60 1HB PHE 60 -4.230 -5.098 -2.505 493 2HB PHE 60 2HB PHE 60 -3.868 -3.861 -1.306 494 HD1 PHE 60 1HD PHE 60 -2.124 -4.443 0.483 495 HD2 PHE 60 2HD PHE 60 -2.608 -6.626 -3.139 496 HE1 PHE 60 1HE PHE 60 0.154 -5.342 0.724 497 HE2 PHE 60 2HE PHE 60 -0.332 -7.529 -2.904 498 HZ PHE 60 HZ PHE 60 1.052 -6.888 -0.970 499 H ARG 61 H ARG 61 -6.028 -4.131 1.247 500 HA ARG 61 HA ARG 61 -8.121 -3.103 -0.501 501 1HB ARG 61 1HB ARG 61 -9.882 -3.664 1.165 502 2HB ARG 61 2HB ARG 61 -9.170 -5.077 0.397 503 1HG ARG 61 1HG ARG 61 -7.596 -4.929 2.550 504 2HG ARG 61 2HG ARG 61 -9.054 -4.182 3.207 505 1HD ARG 61 1HD ARG 61 -10.286 -6.206 2.207 506 2HD ARG 61 2HD ARG 61 -8.689 -6.942 2.090 507 HE ARG 61 HE ARG 61 -10.237 -6.534 4.472 508 1HH1 ARG 61 2HH1 ARG 61 -7.022 -6.914 3.190 509 2HH1 ARG 61 1HH1 ARG 61 -6.357 -7.501 4.678 510 1HH2 ARG 61 2HH2 ARG 61 -9.373 -7.305 6.437 511 2HH2 ARG 61 1HH2 ARG 61 -7.695 -7.724 6.524 512 H PHE 62 H PHE 62 -8.711 -1.057 -0.015 513 HA PHE 62 HA PHE 62 -7.347 0.204 2.246 514 1HB PHE 62 1HB PHE 62 -7.223 1.067 -0.185 515 2HB PHE 62 2HB PHE 62 -8.857 1.663 0.091 516 HD1 PHE 62 1HD PHE 62 -5.623 1.655 1.962 517 HD2 PHE 62 2HD PHE 62 -8.978 3.888 0.594 518 HE1 PHE 62 1HE PHE 62 -4.700 3.679 3.013 519 HE2 PHE 62 2HE PHE 62 -8.060 5.916 1.641 520 HZ PHE 62 HZ PHE 62 -5.918 5.814 2.852 521 H ASP 63 H ASP 63 -8.584 2.046 3.300 522 HA ASP 63 HA ASP 63 -11.004 0.976 4.398 523 1HB ASP 63 1HB ASP 63 -9.522 3.569 4.837 524 2HB ASP 63 2HB ASP 63 -11.017 3.168 5.677 525 H GLY 64 H GLY 64 -11.798 1.042 1.968 526 1HA GLY 64 2HA GLY 64 -13.922 2.926 1.899 527 2HA GLY 64 3HA GLY 64 -12.664 3.387 0.762 528 H GLN 65 H GLN 65 -11.895 0.673 0.116 529 HA GLN 65 HA GLN 65 -14.026 -0.911 -0.747 530 1HB GLN 65 1HB GLN 65 -13.810 -0.355 -3.244 531 2HB GLN 65 2HB GLN 65 -14.768 0.730 -2.244 532 1HG GLN 65 1HG GLN 65 -13.130 2.391 -2.267 533 2HG GLN 65 2HG GLN 65 -11.878 1.273 -2.807 534 1HE2 GLN 65 1HE2 GLN 65 -12.644 3.806 -3.960 535 2HE2 GLN 65 2HE2 GLN 65 -13.136 3.483 -5.584 536 HA PRO 66 HA PRO 66 -10.686 -3.629 -1.593 537 1HB PRO 66 1HB PRO 66 -11.822 -5.318 -3.389 538 2HB PRO 66 2HB PRO 66 -12.239 -5.320 -1.671 539 1HG PRO 66 1HG PRO 66 -13.687 -4.062 -3.970 540 2HG PRO 66 2HG PRO 66 -14.343 -4.975 -2.598 541 1HD PRO 66 1HD PRO 66 -14.390 -2.270 -2.704 542 2HD PRO 66 2HD PRO 66 -14.233 -3.163 -1.178 543 H ILE 67 H ILE 67 -9.420 -4.621 -3.436 544 HA ILE 67 HA ILE 67 -9.486 -2.996 -5.874 545 HB ILE 67 HB ILE 67 -6.909 -3.552 -4.412 546 1HG1 ILE 67 1HG1 ILE 67 -8.525 -0.994 -4.474 547 2HG1 ILE 67 2HG1 ILE 67 -8.316 -2.039 -3.073 548 1HG2 ILE 67 1HG2 ILE 67 -6.777 -1.329 -6.159 549 2HG2 ILE 67 2HG2 ILE 67 -5.955 -2.882 -6.298 550 3HG2 ILE 67 3HG2 ILE 67 -7.541 -2.655 -7.035 551 1HD1 ILE 67 1HD1 ILE 67 -6.650 -0.658 -2.548 552 2HD1 ILE 67 2HD1 ILE 67 -5.737 -1.522 -3.785 553 3HD1 ILE 67 3HD1 ILE 67 -6.547 -0.007 -4.183 554 H ASN 68 H ASN 68 -8.910 -4.062 -7.712 555 HA ASN 68 HA ASN 68 -8.481 -6.942 -7.446 556 1HB ASN 68 1HB ASN 68 -9.480 -5.169 -9.653 557 2HB ASN 68 2HB ASN 68 -8.888 -6.787 -10.019 558 1HD2 ASN 68 1HD2 ASN 68 -11.553 -5.751 -10.335 559 2HD2 ASN 68 2HD2 ASN 68 -12.587 -6.729 -9.356 560 H GLU 69 H GLU 69 -6.293 -5.222 -6.864 561 HA GLU 69 HA GLU 69 -4.130 -4.729 -7.462 562 1HB GLU 69 1HB GLU 69 -2.850 -6.687 -8.062 563 2HB GLU 69 2HB GLU 69 -4.091 -7.145 -6.903 564 1HG GLU 69 1HG GLU 69 -5.354 -8.260 -8.506 565 2HG GLU 69 2HG GLU 69 -4.545 -7.447 -9.844 566 H THR 70 H THR 70 -6.004 -3.770 -9.372 567 HA THR 70 HA THR 70 -4.315 -3.839 -11.776 568 HB THR 70 HB THR 70 -6.162 -5.245 -12.359 569 HG1 THR 70 1HG THR 70 -6.596 -4.204 -14.180 570 1HG2 THR 70 1HG2 THR 70 -7.683 -4.478 -10.547 571 2HG2 THR 70 2HG2 THR 70 -8.477 -4.603 -12.118 572 3HG2 THR 70 3HG2 THR 70 -8.011 -3.023 -11.488 573 H ASP 71 H ASP 71 -6.820 -2.149 -9.940 574 HA ASP 71 HA ASP 71 -6.797 0.244 -11.423 575 1HB ASP 71 1HB ASP 71 -7.754 -0.588 -8.734 576 2HB ASP 71 2HB ASP 71 -7.546 1.139 -9.012 577 H THR 72 H THR 72 -5.597 2.078 -11.291 578 HA THR 72 HA THR 72 -3.082 1.879 -9.834 579 HB THR 72 HB THR 72 -2.664 4.119 -11.099 580 HG1 THR 72 1HG THR 72 -5.020 4.110 -11.725 581 1HG2 THR 72 1HG2 THR 72 -2.869 2.039 -13.142 582 2HG2 THR 72 2HG2 THR 72 -2.105 1.488 -11.651 583 3HG2 THR 72 3HG2 THR 72 -1.449 2.876 -12.518 584 HA PRO 73 HA PRO 73 -4.064 4.713 -6.628 585 1HB PRO 73 1HB PRO 73 -1.716 6.041 -6.324 586 2HB PRO 73 2HB PRO 73 -1.942 4.363 -5.817 587 1HG PRO 73 1HG PRO 73 -0.673 5.434 -8.308 588 2HG PRO 73 2HG PRO 73 -0.134 4.110 -7.258 589 1HD PRO 73 1HD PRO 73 -1.432 3.680 -9.595 590 2HD PRO 73 2HD PRO 73 -1.603 2.601 -8.195 591 H ALA 74 H ALA 74 -3.325 5.790 -9.752 592 HA ALA 74 HA ALA 74 -3.463 8.614 -9.242 593 1HB ALA 74 1HB ALA 74 -3.416 6.934 -11.722 594 2HB ALA 74 2HB ALA 74 -3.746 8.665 -11.800 595 3HB ALA 74 3HB ALA 74 -2.218 8.088 -11.136 596 H GLN 75 H GLN 75 -5.682 6.143 -10.477 597 HA GLN 75 HA GLN 75 -7.848 8.112 -10.527 598 1HB GLN 75 1HB GLN 75 -7.912 5.239 -11.457 599 2HB GLN 75 2HB GLN 75 -9.109 6.485 -11.784 600 1HG GLN 75 1HG GLN 75 -7.404 7.732 -13.064 601 2HG GLN 75 2HG GLN 75 -6.280 6.400 -12.804 602 1HE2 GLN 75 1HE2 GLN 75 -7.015 7.296 -15.329 603 2HE2 GLN 75 2HE2 GLN 75 -7.920 6.054 -16.119 604 H LEU 76 H LEU 76 -6.551 6.660 -8.131 605 HA LEU 76 HA LEU 76 -9.085 5.735 -6.944 606 1HB LEU 76 1HB LEU 76 -6.362 4.581 -6.877 607 2HB LEU 76 2HB LEU 76 -7.281 4.528 -5.375 608 HG LEU 76 HG LEU 76 -8.143 3.336 -8.010 609 1HD1 LEU 76 1HD1 LEU 76 -6.262 2.157 -6.947 610 2HD1 LEU 76 2HD1 LEU 76 -7.740 1.196 -6.963 611 3HD1 LEU 76 3HD1 LEU 76 -7.221 1.988 -5.476 612 1HD2 LEU 76 1HD2 LEU 76 -10.185 3.504 -7.118 613 2HD2 LEU 76 2HD2 LEU 76 -9.554 3.920 -5.525 614 3HD2 LEU 76 3HD2 LEU 76 -9.666 2.229 -6.015 615 H GLU 77 H GLU 77 -6.685 8.050 -6.887 616 HA GLU 77 HA GLU 77 -6.031 9.658 -5.408 617 1HB GLU 77 1HB GLU 77 -8.728 9.252 -4.125 618 2HB GLU 77 2HB GLU 77 -7.779 10.729 -4.200 619 1HG GLU 77 1HG GLU 77 -8.067 10.467 -6.769 620 2HG GLU 77 2HG GLU 77 -9.415 9.423 -6.322 621 H MET 78 H MET 78 -4.888 7.370 -4.690 622 HA MET 78 HA MET 78 -5.210 7.271 -1.762 623 1HB MET 78 1HB MET 78 -4.280 4.938 -1.929 624 2HB MET 78 2HB MET 78 -5.884 5.150 -2.617 625 1HG MET 78 1HG MET 78 -4.712 5.439 -4.854 626 2HG MET 78 2HG MET 78 -3.272 4.821 -4.048 627 1HE MET 78 1HE MET 78 -4.123 1.180 -3.216 628 2HE MET 78 2HE MET 78 -2.824 2.326 -3.548 629 3HE MET 78 3HE MET 78 -3.941 2.619 -2.213 630 H GLU 79 H GLU 79 -3.678 9.144 -1.957 631 HA GLU 79 HA GLU 79 -0.916 8.131 -1.973 632 1HB GLU 79 1HB GLU 79 -1.477 10.942 -2.824 633 2HB GLU 79 2HB GLU 79 -0.109 9.910 -3.217 634 1HG GLU 79 1HG GLU 79 -1.472 8.614 -4.731 635 2HG GLU 79 2HG GLU 79 -2.900 9.545 -4.283 636 H ASP 80 H ASP 80 0.389 10.401 -1.173 637 HA ASP 80 HA ASP 80 0.948 11.634 0.656 638 1HB ASP 80 1HB ASP 80 -1.536 12.433 0.152 639 2HB ASP 80 2HB ASP 80 -1.848 11.640 1.694 640 H GLU 81 H GLU 81 1.324 8.933 0.860 641 HA GLU 81 HA GLU 81 1.810 7.316 2.384 642 1HB GLU 81 1HB GLU 81 1.023 9.308 4.510 643 2HB GLU 81 2HB GLU 81 2.088 7.921 4.686 644 1HG GLU 81 1HG GLU 81 3.701 8.989 3.175 645 2HG GLU 81 2HG GLU 81 2.641 10.392 3.059 646 H ASP 82 H ASP 82 0.036 6.066 1.667 647 HA ASP 82 HA ASP 82 -2.384 6.200 3.325 648 1HB ASP 82 1HB ASP 82 -2.103 4.481 0.878 649 2HB ASP 82 2HB ASP 82 -3.563 5.162 1.592 650 H THR 83 H THR 83 -2.876 4.637 4.736 651 HA THR 83 HA THR 83 -1.010 2.398 4.994 652 HB THR 83 HB THR 83 -3.167 3.222 6.942 653 HG1 THR 83 1HG THR 83 -1.848 4.929 7.046 654 1HG2 THR 83 1HG2 THR 83 -0.893 2.030 8.156 655 2HG2 THR 83 2HG2 THR 83 -1.387 1.004 6.809 656 3HG2 THR 83 3HG2 THR 83 -2.542 1.412 8.077 657 H ILE 84 H ILE 84 -1.656 0.825 3.605 658 HA ILE 84 HA ILE 84 -4.461 0.091 3.418 659 HB ILE 84 HB ILE 84 -2.028 -1.048 2.038 660 1HG1 ILE 84 1HG1 ILE 84 -4.267 0.640 0.910 661 2HG1 ILE 84 2HG1 ILE 84 -2.723 1.298 1.440 662 1HG2 ILE 84 1HG2 ILE 84 -3.749 -2.745 2.272 663 2HG2 ILE 84 2HG2 ILE 84 -4.952 -1.643 1.606 664 3HG2 ILE 84 3HG2 ILE 84 -3.629 -2.221 0.593 665 1HD1 ILE 84 1HD1 ILE 84 -1.556 0.237 -0.283 666 2HD1 ILE 84 2HD1 ILE 84 -2.895 -0.858 -0.632 667 3HD1 ILE 84 3HD1 ILE 84 -3.025 0.853 -1.041 668 H ASP 85 H ASP 85 -5.352 -1.819 4.108 669 HA ASP 85 HA ASP 85 -3.822 -3.254 6.142 670 1HB ASP 85 1HB ASP 85 -6.772 -3.276 5.474 671 2HB ASP 85 2HB ASP 85 -6.035 -4.222 6.764 672 H VAL 86 H VAL 86 -3.087 -5.265 5.880 673 HA VAL 86 HA VAL 86 -4.026 -6.788 3.536 674 HB VAL 86 HB VAL 86 -1.604 -5.873 3.534 675 1HG1 VAL 86 1HG1 VAL 86 0.041 -7.189 4.678 676 2HG1 VAL 86 2HG1 VAL 86 -1.139 -6.626 5.863 677 3HG1 VAL 86 3HG1 VAL 86 -1.194 -8.292 5.286 678 1HG2 VAL 86 1HG2 VAL 86 -1.587 -8.806 3.088 679 2HG2 VAL 86 2HG2 VAL 86 -2.777 -7.852 2.201 680 3HG2 VAL 86 3HG2 VAL 86 -1.058 -7.497 2.032 681 H PHE 87 H PHE 87 -3.880 -9.131 3.731 682 HA PHE 87 HA PHE 87 -4.177 -10.030 6.522 683 1HB PHE 87 1HB PHE 87 -6.229 -9.988 4.881 684 2HB PHE 87 2HB PHE 87 -5.503 -11.464 4.253 685 HD1 PHE 87 1HD PHE 87 -7.700 -10.117 6.645 686 HD2 PHE 87 2HD PHE 87 -4.902 -13.267 6.044 687 HE1 PHE 87 1HE PHE 87 -8.761 -11.400 8.456 688 HE2 PHE 87 2HE PHE 87 -5.958 -14.556 7.854 689 HZ PHE 87 HZ PHE 87 -7.891 -13.623 9.062 690 H GLN 88 H GLN 88 -2.335 -11.048 7.018 691 HA GLN 88 HA GLN 88 -1.637 -13.447 5.594 692 1HB GLN 88 1HB GLN 88 0.561 -12.865 4.923 693 2HB GLN 88 2HB GLN 88 -0.482 -11.577 4.336 694 1HG GLN 88 1HG GLN 88 0.154 -10.345 6.488 695 2HG GLN 88 2HG GLN 88 1.452 -11.530 6.619 696 1HE2 GLN 88 1HE2 GLN 88 0.001 -9.449 4.133 697 2HE2 GLN 88 2HE2 GLN 88 1.501 -8.896 3.479 698 H GLN 89 H GLN 89 0.597 -14.264 6.614 699 HA GLN 89 HA GLN 89 0.053 -14.530 9.416 700 1HB GLN 89 1HB GLN 89 2.347 -15.559 7.737 701 2HB GLN 89 2HB GLN 89 2.049 -16.006 9.412 702 1HG GLN 89 1HG GLN 89 -0.082 -16.997 8.782 703 2HG GLN 89 2HG GLN 89 0.186 -16.525 7.105 704 1HE2 GLN 89 1HE2 GLN 89 1.129 -18.671 9.670 705 2HE2 GLN 89 2HE2 GLN 89 2.004 -19.790 8.687 706 H GLN 90 H GLN 90 2.272 -14.568 10.803 707 HA GLN 90 HA GLN 90 3.240 -11.802 10.664 708 1HB GLN 90 1HB GLN 90 3.414 -13.742 12.973 709 2HB GLN 90 2HB GLN 90 3.800 -12.027 13.012 710 1HG GLN 90 1HG GLN 90 1.493 -11.452 12.640 711 2HG GLN 90 2HG GLN 90 1.068 -13.151 12.443 712 1HE2 GLN 90 1HE2 GLN 90 -0.426 -12.061 14.197 713 2HE2 GLN 90 2HE2 GLN 90 0.063 -12.373 15.825 714 H THR 91 H THR 91 5.234 -11.416 9.989 715 HA THR 91 HA THR 91 7.204 -13.607 10.100 716 HB THR 91 HB THR 91 8.315 -12.131 8.220 717 HG1 THR 91 1HG THR 91 6.971 -10.463 7.941 718 1HG2 THR 91 1HG2 THR 91 5.930 -13.595 7.224 719 2HG2 THR 91 2HG2 THR 91 7.086 -14.494 8.207 720 3HG2 THR 91 3HG2 THR 91 7.617 -13.705 6.722 721 H GLY 92 H GLY 92 6.997 -10.042 10.014 722 1HA GLY 92 2HA GLY 92 9.603 -9.735 11.182 723 2HA GLY 92 3HA GLY 92 8.444 -8.453 10.865 724 H GLY 93 H GLY 93 8.027 -7.385 12.678 725 1HA GLY 93 2HA GLY 93 7.053 -8.834 14.992 726 2HA GLY 93 3HA GLY 93 8.570 -7.983 15.245 727 H VAL 94 H VAL 94 6.080 -6.777 13.110 728 HA VAL 94 HA VAL 94 5.103 -4.912 15.123 729 HB VAL 94 HB VAL 94 6.392 -3.960 12.562 730 1HG1 VAL 94 1HG1 VAL 94 5.817 -1.825 14.313 731 2HG1 VAL 94 2HG1 VAL 94 5.110 -2.155 12.730 732 3HG1 VAL 94 3HG1 VAL 94 4.350 -2.796 14.187 733 1HG2 VAL 94 1HG2 VAL 94 7.842 -2.694 14.236 734 2HG2 VAL 94 2HG2 VAL 94 7.220 -3.815 15.447 735 3HG2 VAL 94 3HG2 VAL 94 8.134 -4.425 14.068 736 H TYR 95 H TYR 95 2.981 -4.651 14.906 737 HA TYR 95 HA TYR 95 1.696 -5.588 12.455 738 1HB TYR 95 1HB TYR 95 -0.311 -5.770 13.721 739 2HB TYR 95 2HB TYR 95 0.977 -6.388 14.749 740 HD1 TYR 95 1HD TYR 95 -1.584 -3.861 14.351 741 HD2 TYR 95 2HD TYR 95 1.826 -4.992 16.630 742 HE1 TYR 95 1HE TYR 95 -2.252 -2.288 16.121 743 HE2 TYR 95 2HE TYR 95 1.167 -3.424 18.406 744 HH TYR 95 HH TYR 95 -1.430 -2.356 19.048 Start of MODEL 18 1 1H MET 1 1H MET 1 8.176 -16.179 -14.789 2 HA MET 1 HA MET 1 9.607 -14.210 -16.226 3 1HB MET 1 1HB MET 1 8.300 -12.225 -15.572 4 2HB MET 1 2HB MET 1 7.407 -13.274 -16.666 5 1HG MET 1 1HG MET 1 7.020 -13.657 -13.752 6 2HG MET 1 2HG MET 1 6.311 -12.230 -14.503 7 1HE MET 1 1HE MET 1 3.985 -12.888 -13.797 8 2HE MET 1 2HE MET 1 3.889 -12.315 -15.463 9 3HE MET 1 3HE MET 1 2.974 -13.739 -14.966 10 H ALA 2 H ALA 2 10.491 -12.499 -14.730 11 HA ALA 2 HA ALA 2 10.918 -13.689 -12.072 12 1HB ALA 2 1HB ALA 2 12.911 -13.480 -13.519 13 2HB ALA 2 2HB ALA 2 12.681 -11.731 -13.538 14 3HB ALA 2 3HB ALA 2 13.047 -12.556 -12.022 15 H ASP 3 H ASP 3 11.254 -12.185 -10.272 16 HA ASP 3 HA ASP 3 9.585 -9.774 -10.566 17 1HB ASP 3 1HB ASP 3 10.046 -11.367 -8.038 18 2HB ASP 3 2HB ASP 3 8.913 -10.037 -8.261 19 H GLU 4 H GLU 4 10.425 -7.849 -10.032 20 HA GLU 4 HA GLU 4 13.181 -7.813 -9.030 21 1HB GLU 4 1HB GLU 4 11.533 -5.843 -10.595 22 2HB GLU 4 2HB GLU 4 13.017 -5.355 -9.789 23 1HG GLU 4 1HG GLU 4 12.960 -7.662 -11.697 24 2HG GLU 4 2HG GLU 4 13.140 -6.000 -12.256 25 H LYS 5 H LYS 5 13.592 -5.562 -7.836 26 HA LYS 5 HA LYS 5 11.448 -4.972 -5.949 27 1HB LYS 5 1HB LYS 5 14.007 -6.337 -5.271 28 2HB LYS 5 2HB LYS 5 13.408 -5.124 -4.147 29 1HG LYS 5 1HG LYS 5 11.196 -6.409 -4.235 30 2HG LYS 5 2HG LYS 5 12.138 -7.709 -4.968 31 1HD LYS 5 1HD LYS 5 13.103 -6.448 -2.440 32 2HD LYS 5 2HD LYS 5 11.785 -7.620 -2.373 33 1HE LYS 5 1HE LYS 5 14.486 -8.098 -3.627 34 2HE LYS 5 2HE LYS 5 13.993 -8.658 -2.030 35 1HZ LYS 5 1HZ LYS 5 12.092 -9.445 -3.970 36 2HZ LYS 5 2HZ LYS 5 13.021 -10.412 -2.939 37 3HZ LYS 5 3HZ LYS 5 13.634 -9.954 -4.447 38 HA PRO 6 HA PRO 6 13.990 -1.312 -7.337 39 1HB PRO 6 1HB PRO 6 11.868 0.174 -8.147 40 2HB PRO 6 2HB PRO 6 12.694 -0.977 -9.204 41 1HG PRO 6 1HG PRO 6 10.151 -1.311 -7.660 42 2HG PRO 6 2HG PRO 6 10.524 -1.803 -9.322 43 1HD PRO 6 1HD PRO 6 10.553 -3.542 -7.247 44 2HD PRO 6 2HD PRO 6 11.636 -3.705 -8.644 45 H LYS 7 H LYS 7 14.581 -0.533 -5.371 46 HA LYS 7 HA LYS 7 12.522 0.916 -3.842 47 1HB LYS 7 1HB LYS 7 14.867 -0.626 -2.717 48 2HB LYS 7 2HB LYS 7 13.730 0.331 -1.777 49 1HG LYS 7 1HG LYS 7 11.917 -1.157 -2.430 50 2HG LYS 7 2HG LYS 7 13.040 -2.108 -3.405 51 1HD LYS 7 1HD LYS 7 14.372 -2.370 -1.211 52 2HD LYS 7 2HD LYS 7 12.883 -1.845 -0.421 53 1HE LYS 7 1HE LYS 7 12.865 -4.079 -2.419 54 2HE LYS 7 2HE LYS 7 13.307 -4.374 -0.738 55 1HZ LYS 7 1HZ LYS 7 11.139 -3.270 -0.153 56 2HZ LYS 7 2HZ LYS 7 11.014 -4.785 -0.895 57 3HZ LYS 7 3HZ LYS 7 10.724 -3.379 -1.789 58 H GLU 8 H GLU 8 13.578 2.463 -5.582 59 HA GLU 8 HA GLU 8 15.350 4.190 -4.075 60 1HB GLU 8 1HB GLU 8 16.143 3.019 -6.743 61 2HB GLU 8 2HB GLU 8 16.906 4.439 -6.042 62 1HG GLU 8 1HG GLU 8 17.556 3.087 -4.086 63 2HG GLU 8 2HG GLU 8 16.865 1.668 -4.871 64 H GLY 9 H GLY 9 15.685 6.303 -5.227 65 1HA GLY 9 2HA GLY 9 14.921 7.757 -7.045 66 2HA GLY 9 3HA GLY 9 13.385 6.907 -6.980 67 H VAL 10 H VAL 10 15.542 8.856 -4.926 68 HA VAL 10 HA VAL 10 13.210 9.816 -3.439 69 HB VAL 10 HB VAL 10 16.140 10.301 -2.886 70 1HG1 VAL 10 1HG1 VAL 10 15.349 11.893 -1.538 71 2HG1 VAL 10 2HG1 VAL 10 13.682 11.352 -1.746 72 3HG1 VAL 10 3HG1 VAL 10 14.715 10.585 -0.539 73 1HG2 VAL 10 1HG2 VAL 10 15.743 7.970 -2.634 74 2HG2 VAL 10 2HG2 VAL 10 15.751 8.667 -1.014 75 3HG2 VAL 10 3HG2 VAL 10 14.221 8.255 -1.789 76 H LYS 11 H LYS 11 12.235 11.530 -4.292 77 HA LYS 11 HA LYS 11 13.667 13.971 -4.699 78 1HB LYS 11 1HB LYS 11 13.082 14.276 -7.070 79 2HB LYS 11 2HB LYS 11 14.175 12.918 -6.836 80 1HG LYS 11 1HG LYS 11 11.830 11.624 -6.723 81 2HG LYS 11 2HG LYS 11 11.381 12.967 -7.777 82 1HD LYS 11 1HD LYS 11 13.699 11.082 -8.207 83 2HD LYS 11 2HD LYS 11 12.158 11.037 -9.066 84 1HE LYS 11 1HE LYS 11 12.618 13.352 -9.866 85 2HE LYS 11 2HE LYS 11 14.214 13.243 -9.125 86 1HZ LYS 11 1HZ LYS 11 13.916 10.979 -10.688 87 2HZ LYS 11 2HZ LYS 11 14.917 12.308 -10.988 88 3HZ LYS 11 3HZ LYS 11 13.354 12.265 -11.632 89 H THR 12 H THR 12 11.938 15.488 -6.063 90 HA THR 12 HA THR 12 9.257 15.001 -4.998 91 HB THR 12 HB THR 12 9.304 17.574 -4.411 92 HG1 THR 12 1HG THR 12 11.261 18.368 -3.976 93 1HG2 THR 12 1HG2 THR 12 9.029 16.805 -2.332 94 2HG2 THR 12 2HG2 THR 12 10.696 16.234 -2.255 95 3HG2 THR 12 3HG2 THR 12 9.443 15.207 -2.951 96 H GLU 13 H GLU 13 7.719 16.776 -5.797 97 HA GLU 13 HA GLU 13 8.500 17.953 -8.341 98 1HB GLU 13 1HB GLU 13 6.179 16.027 -8.134 99 2HB GLU 13 2HB GLU 13 6.633 16.947 -9.561 100 1HG GLU 13 1HG GLU 13 8.367 14.877 -8.233 101 2HG GLU 13 2HG GLU 13 7.345 14.588 -9.640 102 H ASN 14 H ASN 14 6.119 18.786 -9.296 103 HA ASN 14 HA ASN 14 5.350 20.764 -7.325 104 1HB ASN 14 1HB ASN 14 4.698 20.386 -10.246 105 2HB ASN 14 2HB ASN 14 3.943 21.640 -9.266 106 1HD2 ASN 14 1HD2 ASN 14 4.936 23.523 -9.133 107 2HD2 ASN 14 2HD2 ASN 14 6.580 23.832 -9.568 108 H ASN 15 H ASN 15 4.526 18.453 -6.314 109 HA ASN 15 HA ASN 15 1.670 18.760 -6.243 110 1HB ASN 15 1HB ASN 15 1.632 16.077 -6.642 111 2HB ASN 15 2HB ASN 15 1.303 17.260 -7.905 112 1HD2 ASN 15 1HD2 ASN 15 3.478 14.885 -6.711 113 2HD2 ASN 15 2HD2 ASN 15 4.582 14.912 -8.039 114 H ASP 16 H ASP 16 0.796 16.719 -4.863 115 HA ASP 16 HA ASP 16 2.143 16.954 -2.345 116 1HB ASP 16 1HB ASP 16 -0.315 15.488 -3.276 117 2HB ASP 16 2HB ASP 16 0.324 15.261 -1.650 118 H HIS 17 H HIS 17 3.001 15.245 -1.082 119 HA HIS 17 HA HIS 17 3.536 12.702 -2.384 120 1HB HIS 17 1HB HIS 17 5.413 14.001 -3.166 121 2HB HIS 17 2HB HIS 17 5.733 14.601 -1.541 122 HD1 HIS 17 1HD HIS 17 6.626 11.937 -3.850 123 HD2 HIS 17 2HD HIS 17 6.661 12.492 0.267 124 HE1 HIS 17 1HE HIS 17 8.150 10.154 -2.945 125 H ILE 18 H ILE 18 2.657 11.445 -0.850 126 HA ILE 18 HA ILE 18 3.400 11.928 1.954 127 HB ILE 18 HB ILE 18 1.476 10.698 2.622 128 1HG1 ILE 18 1HG1 ILE 18 1.053 10.030 -0.299 129 2HG1 ILE 18 2HG1 ILE 18 1.628 8.910 0.930 130 1HG2 ILE 18 1HG2 ILE 18 0.714 12.453 0.292 131 2HG2 ILE 18 2HG2 ILE 18 -0.334 11.991 1.632 132 3HG2 ILE 18 3HG2 ILE 18 1.075 13.010 1.926 133 1HD1 ILE 18 1HD1 ILE 18 -0.606 8.381 0.763 134 2HD1 ILE 18 2HD1 ILE 18 -0.586 9.490 2.134 135 3HD1 ILE 18 3HD1 ILE 18 -1.096 10.061 0.545 136 H ASN 19 H ASN 19 2.967 9.508 3.080 137 HA ASN 19 HA ASN 19 4.586 7.553 1.630 138 1HB ASN 19 1HB ASN 19 5.914 9.132 3.298 139 2HB ASN 19 2HB ASN 19 5.274 8.013 4.498 140 1HD2 ASN 19 1HD2 ASN 19 5.651 5.691 4.053 141 2HD2 ASN 19 2HD2 ASN 19 7.165 5.243 3.351 142 H LEU 20 H LEU 20 3.889 5.520 1.909 143 HA LEU 20 HA LEU 20 2.133 4.943 4.197 144 1HB LEU 20 1HB LEU 20 1.144 5.272 1.726 145 2HB LEU 20 2HB LEU 20 1.572 3.564 1.641 146 HG LEU 20 HG LEU 20 0.180 3.271 3.753 147 1HD1 LEU 20 1HD1 LEU 20 -1.159 4.928 4.543 148 2HD1 LEU 20 2HD1 LEU 20 -1.290 5.726 2.976 149 3HD1 LEU 20 3HD1 LEU 20 0.172 5.918 3.944 150 1HD2 LEU 20 1HD2 LEU 20 -0.820 3.860 1.015 151 2HD2 LEU 20 2HD2 LEU 20 -1.998 3.616 2.305 152 3HD2 LEU 20 3HD2 LEU 20 -0.831 2.349 1.924 153 H LYS 21 H LYS 21 2.070 2.737 4.860 154 HA LYS 21 HA LYS 21 4.180 1.018 3.761 155 1HB LYS 21 1HB LYS 21 3.755 1.338 6.729 156 2HB LYS 21 2HB LYS 21 5.064 0.496 5.911 157 1HG LYS 21 1HG LYS 21 5.646 2.805 4.932 158 2HG LYS 21 2HG LYS 21 4.620 3.438 6.221 159 1HD LYS 21 1HD LYS 21 5.999 2.424 7.900 160 2HD LYS 21 2HD LYS 21 6.938 1.564 6.677 161 1HE LYS 21 1HE LYS 21 7.339 4.032 5.794 162 2HE LYS 21 2HE LYS 21 7.018 4.424 7.483 163 1HZ LYS 21 1HZ LYS 21 9.178 4.000 7.757 164 2HZ LYS 21 2HZ LYS 21 9.317 3.158 6.296 165 3HZ LYS 21 3HZ LYS 21 8.746 2.366 7.678 166 H VAL 22 H VAL 22 3.242 -0.801 3.127 167 HA VAL 22 HA VAL 22 0.743 -1.670 4.334 168 HB VAL 22 HB VAL 22 2.263 -2.984 2.081 169 1HG1 VAL 22 1HG1 VAL 22 0.053 -3.914 1.516 170 2HG1 VAL 22 2HG1 VAL 22 0.605 -4.418 3.114 171 3HG1 VAL 22 3HG1 VAL 22 -0.618 -3.156 2.959 172 1HG2 VAL 22 1HG2 VAL 22 0.109 -0.876 1.952 173 2HG2 VAL 22 2HG2 VAL 22 1.796 -0.680 1.477 174 3HG2 VAL 22 3HG2 VAL 22 0.745 -1.768 0.571 175 H ALA 23 H ALA 23 1.363 -2.410 6.367 176 HA ALA 23 HA ALA 23 3.444 -4.380 6.661 177 1HB ALA 23 1HB ALA 23 1.944 -2.666 8.389 178 2HB ALA 23 2HB ALA 23 1.857 -4.324 8.985 179 3HB ALA 23 3HB ALA 23 3.426 -3.563 8.723 180 H GLY 24 H GLY 24 3.137 -6.410 6.017 181 1HA GLY 24 2HA GLY 24 0.440 -7.573 6.260 182 2HA GLY 24 3HA GLY 24 1.684 -8.128 5.149 183 H GLN 25 H GLN 25 0.314 -8.448 8.266 184 HA GLN 25 HA GLN 25 2.401 -9.658 9.677 185 1HB GLN 25 1HB GLN 25 -0.061 -8.936 10.363 186 2HB GLN 25 2HB GLN 25 -0.386 -10.640 10.072 187 1HG GLN 25 1HG GLN 25 0.850 -11.329 11.854 188 2HG GLN 25 2HG GLN 25 1.938 -9.943 11.777 189 1HE2 GLN 25 1HE2 GLN 25 0.232 -11.224 13.934 190 2HE2 GLN 25 2HE2 GLN 25 -0.617 -9.894 14.636 191 H ASP 26 H ASP 26 0.150 -10.954 7.321 192 HA ASP 26 HA ASP 26 1.187 -13.657 7.710 193 1HB ASP 26 1HB ASP 26 -1.206 -12.477 6.406 194 2HB ASP 26 2HB ASP 26 -0.566 -13.957 5.698 195 H GLY 27 H GLY 27 2.720 -11.363 6.501 196 1HA GLY 27 2HA GLY 27 3.878 -12.877 4.342 197 2HA GLY 27 3HA GLY 27 3.049 -11.425 3.800 198 H SER 28 H SER 28 3.790 -9.364 4.607 199 HA SER 28 HA SER 28 6.058 -8.988 6.188 200 1HB SER 28 1HB SER 28 7.417 -10.070 4.573 201 2HB SER 28 2HB SER 28 6.607 -9.258 3.234 202 HG SER 28 HG SER 28 7.810 -7.540 3.534 203 H VAL 29 H VAL 29 6.870 -6.766 6.111 204 HA VAL 29 HA VAL 29 4.749 -4.938 5.273 205 HB VAL 29 HB VAL 29 5.501 -4.784 7.597 206 1HG1 VAL 29 1HG1 VAL 29 8.051 -3.511 7.108 207 2HG1 VAL 29 2HG1 VAL 29 7.641 -4.825 8.213 208 3HG1 VAL 29 3HG1 VAL 29 8.034 -5.176 6.529 209 1HG2 VAL 29 1HG2 VAL 29 6.558 -2.276 6.417 210 2HG2 VAL 29 2HG2 VAL 29 4.908 -2.742 6.004 211 3HG2 VAL 29 3HG2 VAL 29 5.362 -2.512 7.692 212 H VAL 30 H VAL 30 5.066 -3.208 3.915 213 HA VAL 30 HA VAL 30 7.720 -2.818 2.745 214 HB VAL 30 HB VAL 30 5.258 -3.164 1.032 215 1HG1 VAL 30 1HG1 VAL 30 8.132 -2.543 0.475 216 2HG1 VAL 30 2HG1 VAL 30 7.138 -3.353 -0.737 217 3HG1 VAL 30 3HG1 VAL 30 6.680 -1.757 -0.143 218 1HG2 VAL 30 1HG2 VAL 30 6.275 -5.272 0.292 219 2HG2 VAL 30 2HG2 VAL 30 7.555 -5.068 1.487 220 3HG2 VAL 30 3HG2 VAL 30 5.888 -5.300 2.012 221 H GLN 31 H GLN 31 8.101 -0.756 1.959 222 HA GLN 31 HA GLN 31 6.082 1.237 2.714 223 1HB GLN 31 1HB GLN 31 9.016 1.690 2.162 224 2HB GLN 31 2HB GLN 31 7.884 2.828 2.879 225 1HG GLN 31 1HG GLN 31 9.036 2.059 4.713 226 2HG GLN 31 2HG GLN 31 7.606 1.027 4.712 227 1HE2 GLN 31 1HE2 GLN 31 9.191 -0.206 6.099 228 2HE2 GLN 31 2HE2 GLN 31 10.184 -1.368 5.294 229 H PHE 32 H PHE 32 5.638 3.012 1.334 230 HA PHE 32 HA PHE 32 6.629 2.929 -1.394 231 1HB PHE 32 1HB PHE 32 4.006 1.910 -0.629 232 2HB PHE 32 2HB PHE 32 3.901 3.193 -1.830 233 HD1 PHE 32 1HD PHE 32 4.682 2.868 -4.066 234 HD2 PHE 32 2HD PHE 32 5.183 -0.173 -1.131 235 HE1 PHE 32 1HE PHE 32 5.253 1.258 -5.836 236 HE2 PHE 32 2HE PHE 32 5.756 -1.788 -2.897 237 HZ PHE 32 HZ PHE 32 5.792 -1.073 -5.253 238 H LYS 33 H LYS 33 6.009 4.818 -2.641 239 HA LYS 33 HA LYS 33 5.144 7.078 -0.960 240 1HB LYS 33 1HB LYS 33 7.159 7.354 -3.179 241 2HB LYS 33 2HB LYS 33 6.793 8.491 -1.888 242 1HG LYS 33 1HG LYS 33 7.659 6.637 -0.317 243 2HG LYS 33 2HG LYS 33 8.384 5.962 -1.778 244 1HD LYS 33 1HD LYS 33 8.789 8.845 -1.079 245 2HD LYS 33 2HD LYS 33 9.767 7.594 -0.307 246 1HE LYS 33 1HE LYS 33 9.472 7.825 -3.292 247 2HE LYS 33 2HE LYS 33 10.735 8.663 -2.393 248 1HZ LYS 33 1HZ LYS 33 11.272 6.393 -3.397 249 2HZ LYS 33 2HZ LYS 33 10.361 5.747 -2.126 250 3HZ LYS 33 3HZ LYS 33 11.737 6.674 -1.794 251 H ILE 34 H ILE 34 3.649 8.420 -1.813 252 HA ILE 34 HA ILE 34 3.167 8.568 -4.646 253 HB ILE 34 HB ILE 34 1.927 6.474 -3.677 254 1HG1 ILE 34 1HG1 ILE 34 0.037 8.175 -5.197 255 2HG1 ILE 34 2HG1 ILE 34 1.635 7.973 -5.907 256 1HG2 ILE 34 1HG2 ILE 34 0.921 8.182 -1.907 257 2HG2 ILE 34 2HG2 ILE 34 -0.301 8.360 -3.166 258 3HG2 ILE 34 3HG2 ILE 34 0.023 6.772 -2.471 259 1HD1 ILE 34 1HD1 ILE 34 0.929 5.412 -5.187 260 2HD1 ILE 34 2HD1 ILE 34 -0.583 6.119 -5.759 261 3HD1 ILE 34 3HD1 ILE 34 0.837 6.109 -6.805 262 H LYS 35 H LYS 35 1.209 9.995 -5.093 263 HA LYS 35 HA LYS 35 1.459 12.360 -3.488 264 1HB LYS 35 1HB LYS 35 -0.005 13.396 -5.118 265 2HB LYS 35 2HB LYS 35 1.215 12.441 -5.949 266 1HG LYS 35 1HG LYS 35 -0.443 10.621 -6.202 267 2HG LYS 35 2HG LYS 35 -1.658 11.676 -5.478 268 1HD LYS 35 1HD LYS 35 -0.076 12.457 -7.915 269 2HD LYS 35 2HD LYS 35 -1.604 11.580 -8.014 270 1HE LYS 35 1HE LYS 35 -2.777 13.372 -6.952 271 2HE LYS 35 2HE LYS 35 -1.271 14.205 -6.574 272 1HZ LYS 35 1HZ LYS 35 -1.482 15.272 -8.486 273 2HZ LYS 35 2HZ LYS 35 -2.839 14.359 -8.917 274 3HZ LYS 35 3HZ LYS 35 -1.289 13.810 -9.314 275 H ARG 36 H ARG 36 -0.858 13.561 -3.239 276 HA ARG 36 HA ARG 36 -2.169 12.093 -1.154 277 1HB ARG 36 1HB ARG 36 -1.774 14.557 -1.083 278 2HB ARG 36 2HB ARG 36 -2.954 14.743 -2.374 279 1HG ARG 36 1HG ARG 36 -4.732 14.085 -0.998 280 2HG ARG 36 2HG ARG 36 -3.648 13.409 0.219 281 1HD ARG 36 1HD ARG 36 -2.781 15.938 0.233 282 2HD ARG 36 2HD ARG 36 -4.447 16.217 -0.273 283 HE ARG 36 HE ARG 36 -4.190 14.503 2.025 284 1HH1 ARG 36 2HH1 ARG 36 -4.449 17.788 0.901 285 2HH1 ARG 36 1HH1 ARG 36 -5.077 18.389 2.400 286 1HH2 ARG 36 2HH2 ARG 36 -5.015 15.282 4.003 287 2HH2 ARG 36 1HH2 ARG 36 -5.398 16.963 4.164 288 H HIS 37 H HIS 37 -3.314 13.517 -4.218 289 HA HIS 37 HA HIS 37 -5.709 11.857 -4.087 290 1HB HIS 37 1HB HIS 37 -6.012 14.203 -4.675 291 2HB HIS 37 2HB HIS 37 -4.898 14.032 -6.028 292 HD1 HIS 37 1HD HIS 37 -7.732 11.675 -5.157 293 HD2 HIS 37 2HD HIS 37 -6.625 14.376 -8.114 294 HE1 HIS 37 1HE HIS 37 -9.445 11.415 -6.980 295 H THR 38 H THR 38 -4.373 9.895 -4.376 296 HA THR 38 HA THR 38 -3.767 9.429 -7.224 297 HB THR 38 HB THR 38 -1.825 9.345 -5.517 298 HG1 THR 38 1HG THR 38 -1.604 8.544 -7.625 299 1HG2 THR 38 1HG2 THR 38 -3.030 6.623 -5.017 300 2HG2 THR 38 2HG2 THR 38 -3.068 7.959 -3.867 301 3HG2 THR 38 3HG2 THR 38 -1.525 7.255 -4.351 302 HA PRO 39 HA PRO 39 -6.917 6.346 -7.163 303 1HB PRO 39 1HB PRO 39 -6.120 4.901 -9.318 304 2HB PRO 39 2HB PRO 39 -6.885 6.488 -9.456 305 1HG PRO 39 1HG PRO 39 -3.983 5.767 -9.591 306 2HG PRO 39 2HG PRO 39 -4.904 6.892 -10.605 307 1HD PRO 39 1HD PRO 39 -3.323 7.724 -8.570 308 2HD PRO 39 2HD PRO 39 -4.806 8.581 -9.039 309 H LEU 40 H LEU 40 -6.859 4.901 -5.543 310 HA LEU 40 HA LEU 40 -4.724 3.412 -4.647 311 1HB LEU 40 1HB LEU 40 -7.681 3.048 -4.496 312 2HB LEU 40 2HB LEU 40 -6.624 1.769 -3.901 313 HG LEU 40 HG LEU 40 -6.681 4.618 -2.905 314 1HD1 LEU 40 1HD1 LEU 40 -7.782 2.048 -1.798 315 2HD1 LEU 40 2HD1 LEU 40 -8.650 3.540 -2.159 316 3HD1 LEU 40 3HD1 LEU 40 -7.511 3.486 -0.813 317 1HD2 LEU 40 1HD2 LEU 40 -5.254 3.602 -1.075 318 2HD2 LEU 40 2HD2 LEU 40 -4.473 3.832 -2.640 319 3HD2 LEU 40 3HD2 LEU 40 -5.021 2.226 -2.153 320 H SER 41 H SER 41 -6.773 2.840 -7.386 321 HA SER 41 HA SER 41 -6.516 0.140 -7.830 322 1HB SER 41 1HB SER 41 -6.653 0.703 -10.274 323 2HB SER 41 2HB SER 41 -7.885 1.487 -9.285 324 HG SER 41 HG SER 41 -6.777 2.869 -10.840 325 H LYS 42 H LYS 42 -4.308 2.662 -9.048 326 HA LYS 42 HA LYS 42 -2.421 1.045 -10.239 327 1HB LYS 42 1HB LYS 42 -0.983 2.884 -10.226 328 2HB LYS 42 2HB LYS 42 -2.577 3.620 -10.137 329 1HG LYS 42 1HG LYS 42 -2.221 3.633 -7.602 330 2HG LYS 42 2HG LYS 42 -0.523 3.328 -7.977 331 1HD LYS 42 1HD LYS 42 -2.020 5.584 -9.270 332 2HD LYS 42 2HD LYS 42 -1.295 5.767 -7.671 333 1HE LYS 42 1HE LYS 42 0.879 5.049 -8.650 334 2HE LYS 42 2HE LYS 42 0.117 5.058 -10.240 335 1HZ LYS 42 1HZ LYS 42 0.099 7.452 -8.507 336 2HZ LYS 42 2HZ LYS 42 -0.149 7.358 -10.177 337 3HZ LYS 42 3HZ LYS 42 1.399 7.120 -9.538 338 H LEU 43 H LEU 43 -2.983 1.620 -6.856 339 HA LEU 43 HA LEU 43 -0.471 0.602 -5.943 340 1HB LEU 43 1HB LEU 43 -2.391 2.078 -4.790 341 2HB LEU 43 2HB LEU 43 -2.833 0.489 -4.168 342 HG LEU 43 HG LEU 43 -0.590 0.260 -3.194 343 1HD1 LEU 43 1HD1 LEU 43 -0.168 2.800 -4.655 344 2HD1 LEU 43 2HD1 LEU 43 0.947 1.470 -4.342 345 3HD1 LEU 43 3HD1 LEU 43 0.592 2.640 -3.071 346 1HD2 LEU 43 1HD2 LEU 43 -2.475 1.239 -1.913 347 2HD2 LEU 43 2HD2 LEU 43 -1.916 2.844 -2.385 348 3HD2 LEU 43 3HD2 LEU 43 -0.893 1.813 -1.384 349 H MET 44 H MET 44 -3.718 -0.739 -6.351 350 HA MET 44 HA MET 44 -3.046 -3.293 -5.255 351 1HB MET 44 1HB MET 44 -5.370 -2.509 -7.023 352 2HB MET 44 2HB MET 44 -5.237 -3.998 -6.098 353 1HG MET 44 1HG MET 44 -5.717 -2.987 -4.128 354 2HG MET 44 2HG MET 44 -4.987 -1.456 -4.608 355 1HE MET 44 1HE MET 44 -8.257 -1.286 -3.175 356 2HE MET 44 2HE MET 44 -6.689 -0.487 -3.290 357 3HE MET 44 3HE MET 44 -8.103 0.231 -4.063 358 H LYS 45 H LYS 45 -3.555 -2.079 -8.560 359 HA LYS 45 HA LYS 45 -3.158 -4.400 -9.987 360 1HB LYS 45 1HB LYS 45 -2.460 -1.539 -10.612 361 2HB LYS 45 2HB LYS 45 -2.168 -2.830 -11.770 362 1HG LYS 45 1HG LYS 45 -4.390 -3.161 -12.176 363 2HG LYS 45 2HG LYS 45 -4.879 -2.599 -10.576 364 1HD LYS 45 1HD LYS 45 -5.580 -0.853 -11.910 365 2HD LYS 45 2HD LYS 45 -3.975 -0.299 -11.425 366 1HE LYS 45 1HE LYS 45 -3.897 0.079 -13.688 367 2HE LYS 45 2HE LYS 45 -3.225 -1.548 -13.603 368 1HZ LYS 45 1HZ LYS 45 -5.468 -0.690 -15.019 369 2HZ LYS 45 2HZ LYS 45 -6.019 -1.728 -13.804 370 3HZ LYS 45 3HZ LYS 45 -4.849 -2.260 -14.904 371 H ALA 46 H ALA 46 -0.685 -2.100 -8.874 372 HA ALA 46 HA ALA 46 1.541 -3.404 -9.958 373 1HB ALA 46 1HB ALA 46 1.994 -1.262 -9.233 374 2HB ALA 46 2HB ALA 46 1.156 -1.490 -7.697 375 3HB ALA 46 3HB ALA 46 2.733 -2.235 -7.960 376 H TYR 47 H TYR 47 0.470 -3.470 -6.551 377 HA TYR 47 HA TYR 47 2.168 -5.432 -5.633 378 1HB TYR 47 1HB TYR 47 0.706 -4.108 -4.170 379 2HB TYR 47 2HB TYR 47 -0.700 -4.965 -4.789 380 HD1 TYR 47 1HD TYR 47 -1.424 -5.810 -2.662 381 HD2 TYR 47 2HD TYR 47 2.506 -6.626 -4.075 382 HE1 TYR 47 1HE TYR 47 -1.156 -7.518 -0.913 383 HE2 TYR 47 2HE TYR 47 2.784 -8.337 -2.330 384 HH TYR 47 HH TYR 47 1.621 -9.643 -0.830 385 H CYS 48 H CYS 48 -1.174 -5.937 -6.778 386 HA CYS 48 HA CYS 48 -1.242 -8.695 -6.627 387 1HB CYS 48 1HB CYS 48 -3.270 -7.552 -7.087 388 2HB CYS 48 2HB CYS 48 -2.598 -6.779 -8.517 389 HG CYS 48 HG CYS 48 -3.952 -8.447 -9.956 390 H GLU 49 H GLU 49 0.133 -6.638 -9.122 391 HA GLU 49 HA GLU 49 0.509 -8.431 -11.179 392 1HB GLU 49 1HB GLU 49 1.114 -5.926 -11.030 393 2HB GLU 49 2HB GLU 49 2.657 -6.478 -10.395 394 1HG GLU 49 1HG GLU 49 2.597 -7.995 -12.555 395 2HG GLU 49 2HG GLU 49 1.534 -6.711 -13.129 396 H ARG 50 H ARG 50 2.993 -7.646 -8.738 397 HA ARG 50 HA ARG 50 4.563 -9.937 -9.404 398 1HB ARG 50 1HB ARG 50 5.926 -9.278 -7.441 399 2HB ARG 50 2HB ARG 50 5.647 -7.948 -8.557 400 1HG ARG 50 1HG ARG 50 5.203 -6.852 -6.635 401 2HG ARG 50 2HG ARG 50 3.597 -7.535 -6.901 402 1HD ARG 50 1HD ARG 50 3.939 -8.149 -4.725 403 2HD ARG 50 2HD ARG 50 4.601 -9.558 -5.552 404 HE ARG 50 HE ARG 50 6.744 -7.921 -5.260 405 1HH1 ARG 50 2HH1 ARG 50 4.364 -9.203 -3.066 406 2HH1 ARG 50 1HH1 ARG 50 5.439 -9.227 -1.708 407 1HH2 ARG 50 2HH2 ARG 50 8.169 -7.948 -3.478 408 2HH2 ARG 50 1HH2 ARG 50 7.603 -8.512 -1.943 409 H GLN 51 H GLN 51 2.163 -9.188 -6.961 410 HA GLN 51 HA GLN 51 2.124 -12.018 -6.208 411 1HB GLN 51 1HB GLN 51 2.619 -9.697 -4.410 412 2HB GLN 51 2HB GLN 51 1.610 -11.002 -3.800 413 1HG GLN 51 1HG GLN 51 4.341 -11.456 -4.965 414 2HG GLN 51 2HG GLN 51 4.062 -11.139 -3.253 415 1HE2 GLN 51 1HE2 GLN 51 3.586 -13.385 -5.871 416 2HE2 GLN 51 2HE2 GLN 51 3.188 -14.752 -4.892 417 H GLY 52 H GLY 52 0.231 -12.100 -7.523 418 1HA GLY 52 2HA GLY 52 -2.035 -10.437 -6.938 419 2HA GLY 52 3HA GLY 52 -2.013 -11.834 -8.004 420 H LEU 53 H LEU 53 -1.802 -11.059 -4.532 421 HA LEU 53 HA LEU 53 -3.690 -13.253 -4.028 422 1HB LEU 53 1HB LEU 53 -1.500 -12.694 -2.081 423 2HB LEU 53 2HB LEU 53 -2.443 -14.165 -2.314 424 HG LEU 53 HG LEU 53 -0.251 -13.170 -4.135 425 1HD1 LEU 53 1HD1 LEU 53 0.295 -14.122 -1.785 426 2HD1 LEU 53 2HD1 LEU 53 1.168 -14.728 -3.192 427 3HD1 LEU 53 3HD1 LEU 53 -0.154 -15.670 -2.501 428 1HD2 LEU 53 1HD2 LEU 53 -1.075 -14.550 -5.662 429 2HD2 LEU 53 2HD2 LEU 53 -2.392 -15.000 -4.579 430 3HD2 LEU 53 3HD2 LEU 53 -0.873 -15.895 -4.540 431 H SER 54 H SER 54 -4.310 -10.520 -4.266 432 HA SER 54 HA SER 54 -5.367 -10.034 -1.590 433 1HB SER 54 1HB SER 54 -4.706 -7.665 -1.630 434 2HB SER 54 2HB SER 54 -3.292 -8.718 -1.674 435 HG SER 54 HG SER 54 -3.486 -8.427 -4.062 436 H MET 55 H MET 55 -6.773 -7.863 -1.795 437 HA MET 55 HA MET 55 -8.638 -6.885 -2.656 438 1HB MET 55 1HB MET 55 -7.132 -6.398 -4.581 439 2HB MET 55 2HB MET 55 -7.653 -7.903 -5.326 440 1HG MET 55 1HG MET 55 -9.607 -7.044 -6.006 441 2HG MET 55 2HG MET 55 -9.826 -6.104 -4.532 442 1HE MET 55 1HE MET 55 -7.875 -4.923 -8.444 443 2HE MET 55 2HE MET 55 -8.359 -6.524 -7.887 444 3HE MET 55 3HE MET 55 -9.586 -5.333 -8.319 445 H ARG 56 H ARG 56 -8.268 -9.969 -2.215 446 HA ARG 56 HA ARG 56 -10.929 -10.665 -3.267 447 1HB ARG 56 1HB ARG 56 -8.577 -12.550 -3.026 448 2HB ARG 56 2HB ARG 56 -10.178 -12.954 -3.629 449 1HG ARG 56 1HG ARG 56 -9.769 -11.195 -5.424 450 2HG ARG 56 2HG ARG 56 -8.081 -11.238 -4.911 451 1HD ARG 56 1HD ARG 56 -9.371 -13.846 -5.430 452 2HD ARG 56 2HD ARG 56 -9.085 -12.819 -6.834 453 HE ARG 56 HE ARG 56 -6.803 -13.093 -6.551 454 1HH1 ARG 56 2HH1 ARG 56 -8.550 -14.510 -3.894 455 2HH1 ARG 56 1HH1 ARG 56 -7.176 -15.367 -3.278 456 1HH2 ARG 56 2HH2 ARG 56 -4.987 -14.217 -5.750 457 2HH2 ARG 56 1HH2 ARG 56 -5.150 -15.199 -4.333 458 H GLN 57 H GLN 57 -8.517 -11.099 -0.742 459 HA GLN 57 HA GLN 57 -10.677 -11.855 1.097 460 1HB GLN 57 1HB GLN 57 -8.031 -13.241 0.730 461 2HB GLN 57 2HB GLN 57 -8.943 -13.370 2.227 462 1HG GLN 57 1HG GLN 57 -10.717 -14.489 1.179 463 2HG GLN 57 2HG GLN 57 -10.153 -14.046 -0.431 464 1HE2 GLN 57 1HE2 GLN 57 -9.860 -16.008 -1.312 465 2HE2 GLN 57 2HE2 GLN 57 -8.766 -17.201 -0.710 466 H ILE 58 H ILE 58 -7.386 -10.630 0.707 467 HA ILE 58 HA ILE 58 -7.009 -9.778 3.365 468 HB ILE 58 HB ILE 58 -5.786 -8.577 0.879 469 1HG1 ILE 58 1HG1 ILE 58 -4.729 -10.816 2.617 470 2HG1 ILE 58 2HG1 ILE 58 -5.503 -11.054 1.054 471 1HG2 ILE 58 1HG2 ILE 58 -5.387 -8.185 3.759 472 2HG2 ILE 58 2HG2 ILE 58 -3.908 -8.426 2.830 473 3HG2 ILE 58 3HG2 ILE 58 -5.013 -7.120 2.404 474 1HD1 ILE 58 1HD1 ILE 58 -3.717 -9.635 0.047 475 2HD1 ILE 58 2HD1 ILE 58 -2.908 -9.649 1.614 476 3HD1 ILE 58 3HD1 ILE 58 -3.154 -11.158 0.735 477 H ARG 59 H ARG 59 -7.199 -7.739 4.319 478 HA ARG 59 HA ARG 59 -8.649 -5.671 2.850 479 1HB ARG 59 1HB ARG 59 -10.184 -7.296 4.224 480 2HB ARG 59 2HB ARG 59 -9.602 -6.369 5.600 481 1HG ARG 59 1HG ARG 59 -11.425 -5.127 5.140 482 2HG ARG 59 2HG ARG 59 -10.320 -4.351 4.003 483 1HD ARG 59 1HD ARG 59 -11.747 -6.747 3.027 484 2HD ARG 59 2HD ARG 59 -12.731 -5.311 3.309 485 HE ARG 59 HE ARG 59 -10.654 -4.360 1.863 486 1HH1 ARG 59 2HH1 ARG 59 -12.870 -7.006 1.410 487 2HH1 ARG 59 1HH1 ARG 59 -12.821 -6.923 -0.320 488 1HH2 ARG 59 2HH2 ARG 59 -10.581 -4.240 -0.414 489 2HH2 ARG 59 1HH2 ARG 59 -11.518 -5.349 -1.356 490 H PHE 60 H PHE 60 -7.781 -3.741 3.218 491 HA PHE 60 HA PHE 60 -5.630 -3.397 5.031 492 1HB PHE 60 1HB PHE 60 -7.151 -1.629 3.169 493 2HB PHE 60 2HB PHE 60 -6.149 -0.871 4.403 494 HD1 PHE 60 1HD PHE 60 -3.797 -0.819 4.213 495 HD2 PHE 60 2HD PHE 60 -6.109 -3.141 1.497 496 HE1 PHE 60 1HE PHE 60 -1.810 -1.134 2.795 497 HE2 PHE 60 2HE PHE 60 -4.127 -3.460 0.076 498 HZ PHE 60 HZ PHE 60 -1.973 -2.457 0.725 499 H ARG 61 H ARG 61 -5.550 -2.596 7.052 500 HA ARG 61 HA ARG 61 -7.930 -1.320 8.181 501 1HB ARG 61 1HB ARG 61 -6.519 -3.706 9.387 502 2HB ARG 61 2HB ARG 61 -7.694 -2.716 10.242 503 1HG ARG 61 1HG ARG 61 -9.154 -3.323 8.096 504 2HG ARG 61 2HG ARG 61 -8.093 -4.733 8.122 505 1HD ARG 61 1HD ARG 61 -9.968 -3.770 10.266 506 2HD ARG 61 2HD ARG 61 -9.995 -5.308 9.405 507 HE ARG 61 HE ARG 61 -7.606 -5.370 10.646 508 1HH1 ARG 61 2HH1 ARG 61 -10.831 -4.689 11.766 509 2HH1 ARG 61 1HH1 ARG 61 -10.543 -5.290 13.365 510 1HH2 ARG 61 2HH2 ARG 61 -7.214 -6.165 12.748 511 2HH2 ARG 61 1HH2 ARG 61 -8.485 -6.129 13.923 512 H PHE 62 H PHE 62 -7.473 0.340 9.506 513 HA PHE 62 HA PHE 62 -4.641 0.799 10.153 514 1HB PHE 62 1HB PHE 62 -5.665 2.514 8.723 515 2HB PHE 62 2HB PHE 62 -6.913 2.786 9.935 516 HD1 PHE 62 1HD PHE 62 -3.182 2.624 9.830 517 HD2 PHE 62 2HD PHE 62 -6.653 4.673 11.198 518 HE1 PHE 62 1HE PHE 62 -1.755 4.313 10.911 519 HE2 PHE 62 2HE PHE 62 -5.232 6.365 12.280 520 HZ PHE 62 HZ PHE 62 -2.780 6.187 12.137 521 H ASP 63 H ASP 63 -4.115 1.751 12.207 522 HA ASP 63 HA ASP 63 -5.588 0.560 14.359 523 1HB ASP 63 1HB ASP 63 -3.849 1.767 15.776 524 2HB ASP 63 2HB ASP 63 -3.234 0.586 14.624 525 H GLY 64 H GLY 64 -7.465 2.049 13.346 526 1HA GLY 64 2HA GLY 64 -8.159 3.855 15.416 527 2HA GLY 64 3HA GLY 64 -7.643 4.749 13.994 528 H GLN 65 H GLN 65 -8.674 2.758 12.125 529 HA GLN 65 HA GLN 65 -11.411 2.271 12.517 530 1HB GLN 65 1HB GLN 65 -12.163 4.043 10.766 531 2HB GLN 65 2HB GLN 65 -11.965 4.521 12.447 532 1HG GLN 65 1HG GLN 65 -10.082 5.753 12.022 533 2HG GLN 65 2HG GLN 65 -9.662 4.819 10.587 534 1HE2 GLN 65 1HE2 GLN 65 -9.813 5.964 8.811 535 2HE2 GLN 65 2HE2 GLN 65 -10.986 7.187 8.475 536 HA PRO 66 HA PRO 66 -10.821 -0.105 8.877 537 1HB PRO 66 1HB PRO 66 -13.317 -0.146 7.812 538 2HB PRO 66 2HB PRO 66 -12.882 -1.038 9.274 539 1HG PRO 66 1HG PRO 66 -14.274 1.599 9.008 540 2HG PRO 66 2HG PRO 66 -14.643 0.243 10.090 541 1HD PRO 66 1HD PRO 66 -13.299 2.444 10.917 542 2HD PRO 66 2HD PRO 66 -12.995 0.830 11.592 543 H ILE 67 H ILE 67 -11.324 -0.118 6.447 544 HA ILE 67 HA ILE 67 -11.392 2.613 5.363 545 HB ILE 67 HB ILE 67 -9.481 0.503 4.369 546 1HG1 ILE 67 1HG1 ILE 67 -8.900 2.882 6.147 547 2HG1 ILE 67 2HG1 ILE 67 -8.891 1.199 6.665 548 1HG2 ILE 67 1HG2 ILE 67 -9.789 3.443 3.787 549 2HG2 ILE 67 2HG2 ILE 67 -8.437 2.455 3.236 550 3HG2 ILE 67 3HG2 ILE 67 -10.073 2.101 2.680 551 1HD1 ILE 67 1HD1 ILE 67 -6.670 1.520 6.318 552 2HD1 ILE 67 2HD1 ILE 67 -7.140 0.977 4.706 553 3HD1 ILE 67 3HD1 ILE 67 -6.925 2.697 5.030 554 H ASN 68 H ASN 68 -12.164 2.803 3.230 555 HA ASN 68 HA ASN 68 -13.944 0.636 2.451 556 1HB ASN 68 1HB ASN 68 -14.202 3.390 2.436 557 2HB ASN 68 2HB ASN 68 -13.937 3.004 0.738 558 1HD2 ASN 68 1HD2 ASN 68 -15.674 1.438 3.409 559 2HD2 ASN 68 2HD2 ASN 68 -17.173 1.281 2.564 560 H GLU 69 H GLU 69 -14.200 0.806 -0.197 561 HA GLU 69 HA GLU 69 -11.631 -0.205 -1.150 562 1HB GLU 69 1HB GLU 69 -12.879 -1.201 -2.969 563 2HB GLU 69 2HB GLU 69 -13.656 -1.594 -1.442 564 1HG GLU 69 1HG GLU 69 -15.217 0.339 -1.882 565 2HG GLU 69 2HG GLU 69 -14.545 0.391 -3.510 566 H THR 70 H THR 70 -13.723 2.501 -1.487 567 HA THR 70 HA THR 70 -12.043 3.517 -3.686 568 HB THR 70 HB THR 70 -14.301 3.078 -4.516 569 HG1 THR 70 1HG THR 70 -13.443 4.832 -5.508 570 1HG2 THR 70 1HG2 THR 70 -16.089 3.389 -3.226 571 2HG2 THR 70 2HG2 THR 70 -15.783 5.126 -3.219 572 3HG2 THR 70 3HG2 THR 70 -15.072 4.099 -1.974 573 H ASP 71 H ASP 71 -11.260 3.909 -1.093 574 HA ASP 71 HA ASP 71 -11.963 6.727 -0.588 575 1HB ASP 71 1HB ASP 71 -11.204 4.509 1.304 576 2HB ASP 71 2HB ASP 71 -11.075 6.203 1.768 577 H THR 72 H THR 72 -10.386 8.207 -0.661 578 HA THR 72 HA THR 72 -7.702 7.311 -1.351 579 HB THR 72 HB THR 72 -7.458 9.968 -1.484 580 HG1 THR 72 1HG THR 72 -9.406 10.928 -2.008 581 1HG2 THR 72 1HG2 THR 72 -7.556 7.988 -3.286 582 2HG2 THR 72 2HG2 THR 72 -7.498 9.691 -3.741 583 3HG2 THR 72 3HG2 THR 72 -9.040 8.836 -3.718 584 HA PRO 73 HA PRO 73 -5.789 8.191 2.500 585 1HB PRO 73 1HB PRO 73 -3.419 9.267 1.728 586 2HB PRO 73 2HB PRO 73 -3.800 7.551 1.544 587 1HG PRO 73 1HG PRO 73 -3.920 9.746 -0.488 588 2HG PRO 73 2HG PRO 73 -3.300 8.094 -0.661 589 1HD PRO 73 1HD PRO 73 -5.750 8.831 -1.548 590 2HD PRO 73 2HD PRO 73 -5.405 7.199 -0.941 591 H ALA 74 H ALA 74 -6.508 10.728 0.313 592 HA ALA 74 HA ALA 74 -5.517 12.933 1.785 593 1HB ALA 74 1HB ALA 74 -6.371 12.791 -0.667 594 2HB ALA 74 2HB ALA 74 -7.942 13.146 0.053 595 3HB ALA 74 3HB ALA 74 -6.604 14.277 0.255 596 H GLN 75 H GLN 75 -8.710 11.379 1.669 597 HA GLN 75 HA GLN 75 -9.590 13.034 3.915 598 1HB GLN 75 1HB GLN 75 -10.961 12.516 1.744 599 2HB GLN 75 2HB GLN 75 -11.327 11.003 2.563 600 1HG GLN 75 1HG GLN 75 -13.109 12.446 3.054 601 2HG GLN 75 2HG GLN 75 -12.118 12.396 4.512 602 1HE2 GLN 75 1HE2 GLN 75 -11.770 14.279 5.423 603 2HE2 GLN 75 2HE2 GLN 75 -11.754 15.814 4.630 604 H LEU 76 H LEU 76 -7.657 10.700 4.013 605 HA LEU 76 HA LEU 76 -9.102 9.133 6.048 606 1HB LEU 76 1HB LEU 76 -7.272 8.314 3.870 607 2HB LEU 76 2HB LEU 76 -7.101 7.476 5.411 608 HG LEU 76 HG LEU 76 -9.734 7.673 3.969 609 1HD1 LEU 76 1HD1 LEU 76 -9.333 5.651 2.865 610 2HD1 LEU 76 2HD1 LEU 76 -7.890 5.311 3.819 611 3HD1 LEU 76 3HD1 LEU 76 -7.864 6.592 2.607 612 1HD2 LEU 76 1HD2 LEU 76 -10.245 6.964 6.074 613 2HD2 LEU 76 2HD2 LEU 76 -8.662 6.232 6.335 614 3HD2 LEU 76 3HD2 LEU 76 -9.860 5.410 5.334 615 H GLU 77 H GLU 77 -6.614 11.298 5.453 616 HA GLU 77 HA GLU 77 -4.824 12.054 6.645 617 1HB GLU 77 1HB GLU 77 -6.295 10.949 9.037 618 2HB GLU 77 2HB GLU 77 -5.160 12.291 9.005 619 1HG GLU 77 1HG GLU 77 -6.936 13.283 7.320 620 2HG GLU 77 2HG GLU 77 -8.010 12.193 8.194 621 H MET 78 H MET 78 -4.121 9.777 5.489 622 HA MET 78 HA MET 78 -2.680 8.295 7.590 623 1HB MET 78 1HB MET 78 -2.696 6.362 5.968 624 2HB MET 78 2HB MET 78 -4.259 6.779 6.657 625 1HG MET 78 1HG MET 78 -4.670 8.128 4.557 626 2HG MET 78 2HG MET 78 -3.242 7.340 3.891 627 1HE MET 78 1HE MET 78 -4.769 5.381 1.804 628 2HE MET 78 2HE MET 78 -3.243 5.787 2.588 629 3HE MET 78 3HE MET 78 -3.947 4.183 2.804 630 H GLU 79 H GLU 79 -1.184 10.200 7.119 631 HA GLU 79 HA GLU 79 0.670 9.405 4.975 632 1HB GLU 79 1HB GLU 79 0.444 12.274 5.792 633 2HB GLU 79 2HB GLU 79 1.004 11.588 4.273 634 1HG GLU 79 1HG GLU 79 -1.314 10.948 3.739 635 2HG GLU 79 2HG GLU 79 -1.846 11.728 5.228 636 H ASP 80 H ASP 80 2.697 11.197 5.519 637 HA ASP 80 HA ASP 80 4.556 11.448 6.807 638 1HB ASP 80 1HB ASP 80 2.544 12.374 8.321 639 2HB ASP 80 2HB ASP 80 3.067 11.040 9.347 640 H GLU 81 H GLU 81 4.247 8.935 5.831 641 HA GLU 81 HA GLU 81 5.072 6.826 6.059 642 1HB GLU 81 1HB GLU 81 6.098 7.619 8.779 643 2HB GLU 81 2HB GLU 81 6.731 6.385 7.699 644 1HG GLU 81 1HG GLU 81 7.377 8.169 6.111 645 2HG GLU 81 2HG GLU 81 6.846 9.364 7.293 646 H ASP 82 H ASP 82 2.430 7.172 6.666 647 HA ASP 82 HA ASP 82 1.795 5.954 9.198 648 1HB ASP 82 1HB ASP 82 0.320 7.633 8.077 649 2HB ASP 82 2HB ASP 82 -0.022 6.438 6.829 650 H THR 83 H THR 83 1.859 3.854 9.596 651 HA THR 83 HA THR 83 1.983 1.968 7.374 652 HB THR 83 HB THR 83 2.336 1.415 10.325 653 HG1 THR 83 1HG THR 83 4.363 2.017 10.089 654 1HG2 THR 83 1HG2 THR 83 3.706 -0.304 8.419 655 2HG2 THR 83 2HG2 THR 83 1.954 -0.343 8.222 656 3HG2 THR 83 3HG2 THR 83 2.675 -0.730 9.784 657 H ILE 84 H ILE 84 0.119 1.187 6.645 658 HA ILE 84 HA ILE 84 -2.191 0.993 8.401 659 HB ILE 84 HB ILE 84 -2.058 0.220 5.491 660 1HG1 ILE 84 1HG1 ILE 84 -1.289 2.542 5.761 661 2HG1 ILE 84 2HG1 ILE 84 -2.860 2.476 4.971 662 1HG2 ILE 84 1HG2 ILE 84 -4.513 0.889 5.671 663 2HG2 ILE 84 2HG2 ILE 84 -4.029 -0.620 6.442 664 3HG2 ILE 84 3HG2 ILE 84 -4.278 0.828 7.417 665 1HD1 ILE 84 1HD1 ILE 84 -3.963 3.132 6.993 666 2HD1 ILE 84 2HD1 ILE 84 -2.452 3.035 7.897 667 3HD1 ILE 84 3HD1 ILE 84 -2.659 4.270 6.656 668 H ASP 85 H ASP 85 -2.461 -0.770 9.588 669 HA ASP 85 HA ASP 85 -1.080 -3.171 9.306 670 1HB ASP 85 1HB ASP 85 -3.815 -2.938 10.560 671 2HB ASP 85 2HB ASP 85 -2.522 -4.058 10.981 672 H VAL 86 H VAL 86 -1.424 -5.033 8.219 673 HA VAL 86 HA VAL 86 -3.960 -5.461 6.841 674 HB VAL 86 HB VAL 86 -1.307 -5.353 5.401 675 1HG1 VAL 86 1HG1 VAL 86 -3.111 -5.768 3.449 676 2HG1 VAL 86 2HG1 VAL 86 -2.204 -7.065 4.231 677 3HG1 VAL 86 3HG1 VAL 86 -3.850 -6.699 4.751 678 1HG2 VAL 86 1HG2 VAL 86 -2.888 -3.789 3.956 679 2HG2 VAL 86 2HG2 VAL 86 -3.703 -3.601 5.509 680 3HG2 VAL 86 3HG2 VAL 86 -1.998 -3.180 5.351 681 H PHE 87 H PHE 87 -4.474 -7.587 6.566 682 HA PHE 87 HA PHE 87 -2.518 -9.538 7.585 683 1HB PHE 87 1HB PHE 87 -4.803 -9.083 8.783 684 2HB PHE 87 2HB PHE 87 -5.463 -10.085 7.495 685 HD1 PHE 87 1HD PHE 87 -5.942 -12.188 8.265 686 HD2 PHE 87 2HD PHE 87 -2.374 -10.276 9.581 687 HE1 PHE 87 1HE PHE 87 -5.326 -14.210 9.523 688 HE2 PHE 87 2HE PHE 87 -1.751 -12.296 10.840 689 HZ PHE 87 HZ PHE 87 -3.228 -14.267 10.812 690 H GLN 88 H GLN 88 -1.563 -10.452 5.870 691 HA GLN 88 HA GLN 88 -2.875 -10.846 3.367 692 1HB GLN 88 1HB GLN 88 -0.281 -12.023 4.381 693 2HB GLN 88 2HB GLN 88 -0.821 -12.008 2.707 694 1HG GLN 88 1HG GLN 88 -0.649 -9.402 4.096 695 2HG GLN 88 2HG GLN 88 0.865 -10.210 3.692 696 1HE2 GLN 88 1HE2 GLN 88 -0.083 -7.744 2.627 697 2HE2 GLN 88 2HE2 GLN 88 -0.285 -7.960 0.925 698 H GLN 89 H GLN 89 -2.467 -13.218 2.385 699 HA GLN 89 HA GLN 89 -3.848 -15.067 4.215 700 1HB GLN 89 1HB GLN 89 -5.235 -14.391 2.318 701 2HB GLN 89 2HB GLN 89 -3.983 -14.914 1.199 702 1HG GLN 89 1HG GLN 89 -5.779 -16.541 1.339 703 2HG GLN 89 2HG GLN 89 -4.262 -17.213 1.936 704 1HE2 GLN 89 1HE2 GLN 89 -4.821 -18.635 3.436 705 2HE2 GLN 89 2HE2 GLN 89 -5.867 -18.327 4.775 706 H GLN 90 H GLN 90 -1.152 -14.604 2.098 707 HA GLN 90 HA GLN 90 -0.164 -17.270 2.835 708 1HB GLN 90 1HB GLN 90 -0.437 -16.088 0.118 709 2HB GLN 90 2HB GLN 90 0.997 -17.051 0.446 710 1HG GLN 90 1HG GLN 90 -0.734 -18.782 1.355 711 2HG GLN 90 2HG GLN 90 -1.860 -17.878 0.344 712 1HE2 GLN 90 1HE2 GLN 90 -2.033 -18.497 -1.686 713 2HE2 GLN 90 2HE2 GLN 90 -0.882 -19.438 -2.564 714 H THR 91 H THR 91 1.997 -17.405 3.304 715 HA THR 91 HA THR 91 3.325 -14.920 3.900 716 HB THR 91 HB THR 91 4.355 -17.748 4.204 717 HG1 THR 91 1HG THR 91 3.737 -17.325 6.450 718 1HG2 THR 91 1HG2 THR 91 6.267 -16.500 4.421 719 2HG2 THR 91 2HG2 THR 91 5.665 -16.412 6.076 720 3HG2 THR 91 3HG2 THR 91 5.400 -15.066 4.969 721 H GLY 92 H GLY 92 5.122 -14.061 2.938 722 1HA GLY 92 2HA GLY 92 6.605 -15.502 0.933 723 2HA GLY 92 3HA GLY 92 5.561 -14.258 0.260 724 H GLY 93 H GLY 93 7.221 -14.056 3.360 725 1HA GLY 93 2HA GLY 93 9.369 -12.444 2.325 726 2HA GLY 93 3HA GLY 93 8.137 -11.499 3.149 727 H VAL 94 H VAL 94 9.194 -10.878 4.956 728 HA VAL 94 HA VAL 94 10.841 -12.706 6.455 729 HB VAL 94 HB VAL 94 11.015 -10.823 8.087 730 1HG1 VAL 94 1HG1 VAL 94 11.859 -10.803 5.289 731 2HG1 VAL 94 2HG1 VAL 94 11.891 -9.214 6.056 732 3HG1 VAL 94 3HG1 VAL 94 12.799 -10.554 6.760 733 1HG2 VAL 94 1HG2 VAL 94 9.965 -8.766 6.391 734 2HG2 VAL 94 2HG2 VAL 94 8.697 -9.932 6.768 735 3HG2 VAL 94 3HG2 VAL 94 9.574 -9.131 8.072 736 H TYR 95 H TYR 95 7.555 -11.588 6.544 737 HA TYR 95 HA TYR 95 7.128 -12.760 9.191 738 1HB TYR 95 1HB TYR 95 5.651 -10.820 7.485 739 2HB TYR 95 2HB TYR 95 4.701 -11.829 8.569 740 HD1 TYR 95 1HD TYR 95 5.497 -11.883 11.057 741 HD2 TYR 95 2HD TYR 95 6.562 -8.841 8.280 742 HE1 TYR 95 1HE TYR 95 6.010 -10.367 12.925 743 HE2 TYR 95 2HE TYR 95 7.079 -7.316 10.140 744 HH TYR 95 HH TYR 95 6.087 -7.804 13.246 Start of MODEL 19 1 1H MET 1 1H MET 1 13.453 33.323 -38.055 2 HA MET 1 HA MET 1 11.894 33.443 -39.715 3 1HB MET 1 1HB MET 1 12.735 33.313 -42.120 4 2HB MET 1 2HB MET 1 13.328 34.649 -41.142 5 1HG MET 1 1HG MET 1 15.392 33.349 -40.709 6 2HG MET 1 2HG MET 1 14.799 32.116 -41.819 7 1HE MET 1 1HE MET 1 17.801 33.952 -43.497 8 2HE MET 1 2HE MET 1 17.517 34.884 -42.026 9 3HE MET 1 3HE MET 1 17.426 33.122 -41.986 10 H ALA 2 H ALA 2 11.975 31.140 -38.400 11 HA ALA 2 HA ALA 2 11.448 29.153 -40.496 12 1HB ALA 2 1HB ALA 2 13.227 27.975 -39.862 13 2HB ALA 2 2HB ALA 2 13.492 28.998 -38.450 14 3HB ALA 2 3HB ALA 2 12.365 27.645 -38.359 15 H ASP 3 H ASP 3 10.455 27.102 -39.208 16 HA ASP 3 HA ASP 3 8.574 28.017 -37.172 17 1HB ASP 3 1HB ASP 3 7.852 27.189 -39.939 18 2HB ASP 3 2HB ASP 3 6.816 26.632 -38.629 19 H GLU 4 H GLU 4 7.146 26.056 -36.493 20 HA GLU 4 HA GLU 4 8.768 23.603 -36.531 21 1HB GLU 4 1HB GLU 4 7.518 24.947 -34.136 22 2HB GLU 4 2HB GLU 4 8.060 23.275 -34.121 23 1HG GLU 4 1HG GLU 4 9.918 25.480 -34.912 24 2HG GLU 4 2HG GLU 4 9.624 25.103 -33.216 25 H LYS 5 H LYS 5 7.453 21.710 -35.611 26 HA LYS 5 HA LYS 5 4.596 21.927 -36.166 27 1HB LYS 5 1HB LYS 5 6.234 19.758 -37.470 28 2HB LYS 5 2HB LYS 5 4.548 20.164 -37.762 29 1HG LYS 5 1HG LYS 5 5.491 22.448 -38.541 30 2HG LYS 5 2HG LYS 5 7.017 21.570 -38.681 31 1HD LYS 5 1HD LYS 5 4.549 20.414 -39.899 32 2HD LYS 5 2HD LYS 5 5.380 21.736 -40.722 33 1HE LYS 5 1HE LYS 5 7.492 20.209 -40.234 34 2HE LYS 5 2HE LYS 5 6.265 18.943 -40.217 35 1HZ LYS 5 1HZ LYS 5 6.484 18.933 -42.416 36 2HZ LYS 5 2HZ LYS 5 7.363 20.378 -42.434 37 3HZ LYS 5 3HZ LYS 5 5.671 20.417 -42.432 38 HA PRO 6 HA PRO 6 5.654 19.280 -32.499 39 1HB PRO 6 1HB PRO 6 3.849 20.448 -30.841 40 2HB PRO 6 2HB PRO 6 5.489 21.068 -31.065 41 1HG PRO 6 1HG PRO 6 2.927 21.995 -32.306 42 2HG PRO 6 2HG PRO 6 4.259 22.956 -31.640 43 1HD PRO 6 1HD PRO 6 3.948 22.544 -34.298 44 2HD PRO 6 2HD PRO 6 5.543 22.726 -33.540 45 H LYS 7 H LYS 7 4.771 17.347 -32.961 46 HA LYS 7 HA LYS 7 1.883 17.159 -33.420 47 1HB LYS 7 1HB LYS 7 4.123 15.182 -33.874 48 2HB LYS 7 2HB LYS 7 2.423 14.814 -34.133 49 1HG LYS 7 1HG LYS 7 2.336 16.663 -35.790 50 2HG LYS 7 2HG LYS 7 4.080 16.856 -35.597 51 1HD LYS 7 1HD LYS 7 3.910 15.484 -37.465 52 2HD LYS 7 2HD LYS 7 4.184 14.333 -36.155 53 1HE LYS 7 1HE LYS 7 1.976 13.613 -36.159 54 2HE LYS 7 2HE LYS 7 1.399 15.070 -36.967 55 1HZ LYS 7 1HZ LYS 7 2.594 12.663 -38.104 56 2HZ LYS 7 2HZ LYS 7 2.974 14.131 -38.852 57 3HZ LYS 7 3HZ LYS 7 1.359 13.647 -38.710 58 H GLU 8 H GLU 8 4.432 15.526 -31.537 59 HA GLU 8 HA GLU 8 2.604 14.062 -29.927 60 1HB GLU 8 1HB GLU 8 5.519 14.736 -29.500 61 2HB GLU 8 2HB GLU 8 4.602 13.617 -28.500 62 1HG GLU 8 1HG GLU 8 4.125 12.354 -30.668 63 2HG GLU 8 2HG GLU 8 5.418 13.326 -31.367 64 H GLY 9 H GLY 9 2.891 14.286 -27.408 65 1HA GLY 9 2HA GLY 9 3.414 16.439 -25.937 66 2HA GLY 9 3HA GLY 9 1.970 16.979 -26.781 67 H VAL 10 H VAL 10 3.202 15.193 -24.162 68 HA VAL 10 HA VAL 10 0.475 14.585 -23.295 69 HB VAL 10 HB VAL 10 2.683 12.534 -23.107 70 1HG1 VAL 10 1HG1 VAL 10 0.711 11.047 -22.559 71 2HG1 VAL 10 2HG1 VAL 10 1.149 12.236 -21.331 72 3HG1 VAL 10 3HG1 VAL 10 -0.238 12.522 -22.384 73 1HG2 VAL 10 1HG2 VAL 10 0.561 12.969 -25.156 74 2HG2 VAL 10 2HG2 VAL 10 2.233 12.447 -25.361 75 3HG2 VAL 10 3HG2 VAL 10 1.028 11.320 -24.738 76 H LYS 11 H LYS 11 0.207 14.468 -21.047 77 HA LYS 11 HA LYS 11 2.550 15.214 -19.432 78 1HB LYS 11 1HB LYS 11 -0.181 16.494 -19.430 79 2HB LYS 11 2HB LYS 11 0.949 16.674 -18.094 80 1HG LYS 11 1HG LYS 11 1.446 18.552 -19.272 81 2HG LYS 11 2HG LYS 11 2.576 17.427 -20.030 82 1HD LYS 11 1HD LYS 11 1.156 17.133 -21.909 83 2HD LYS 11 2HD LYS 11 -0.188 17.948 -21.107 84 1HE LYS 11 1HE LYS 11 2.422 19.269 -21.841 85 2HE LYS 11 2HE LYS 11 0.959 19.337 -22.823 86 1HZ LYS 11 1HZ LYS 11 -0.022 20.160 -20.522 87 2HZ LYS 11 2HZ LYS 11 0.676 21.224 -21.636 88 3HZ LYS 11 3HZ LYS 11 1.574 20.680 -20.309 89 H THR 12 H THR 12 2.845 13.916 -17.750 90 HA THR 12 HA THR 12 0.522 12.455 -16.674 91 HB THR 12 HB THR 12 2.008 10.547 -16.197 92 HG1 THR 12 1HG THR 12 3.962 11.623 -17.909 93 1HG2 THR 12 1HG2 THR 12 0.732 10.942 -18.438 94 2HG2 THR 12 2HG2 THR 12 1.898 9.623 -18.319 95 3HG2 THR 12 3HG2 THR 12 2.350 11.132 -19.111 96 H GLU 13 H GLU 13 0.221 13.871 -14.957 97 HA GLU 13 HA GLU 13 2.138 13.559 -12.786 98 1HB GLU 13 1HB GLU 13 2.101 15.981 -12.272 99 2HB GLU 13 2HB GLU 13 2.876 15.622 -13.809 100 1HG GLU 13 1HG GLU 13 1.599 17.369 -14.462 101 2HG GLU 13 2HG GLU 13 0.432 16.074 -14.722 102 H ASN 14 H ASN 14 -0.552 12.581 -13.370 103 HA ASN 14 HA ASN 14 -2.142 13.964 -11.325 104 1HB ASN 14 1HB ASN 14 -3.027 13.452 -13.707 105 2HB ASN 14 2HB ASN 14 -3.185 11.795 -13.129 106 1HD2 ASN 14 1HD2 ASN 14 -4.496 11.460 -11.201 107 2HD2 ASN 14 2HD2 ASN 14 -5.859 12.487 -10.932 108 H ASN 15 H ASN 15 -0.362 12.779 -9.950 109 HA ASN 15 HA ASN 15 -1.684 10.441 -8.821 110 1HB ASN 15 1HB ASN 15 1.234 10.431 -9.628 111 2HB ASN 15 2HB ASN 15 0.427 9.165 -8.707 112 1HD2 ASN 15 1HD2 ASN 15 -0.909 7.734 -9.739 113 2HD2 ASN 15 2HD2 ASN 15 -1.037 7.635 -11.459 114 H ASP 16 H ASP 16 -0.079 9.713 -6.855 115 HA ASP 16 HA ASP 16 0.759 12.146 -5.442 116 1HB ASP 16 1HB ASP 16 -1.627 10.900 -4.884 117 2HB ASP 16 2HB ASP 16 -0.536 10.158 -3.717 118 H HIS 17 H HIS 17 1.665 11.270 -3.141 119 HA HIS 17 HA HIS 17 3.135 8.804 -3.370 120 1HB HIS 17 1HB HIS 17 5.360 10.022 -3.040 121 2HB HIS 17 2HB HIS 17 4.669 10.051 -4.659 122 HD1 HIS 17 1HD HIS 17 3.546 12.334 -5.404 123 HD2 HIS 17 2HD HIS 17 5.736 12.484 -1.876 124 HE1 HIS 17 1HE HIS 17 3.939 14.778 -4.960 125 H ILE 18 H ILE 18 2.074 8.310 -1.435 126 HA ILE 18 HA ILE 18 2.686 9.982 0.892 127 HB ILE 18 HB ILE 18 0.963 8.838 2.068 128 1HG1 ILE 18 1HG1 ILE 18 0.877 6.929 -0.278 129 2HG1 ILE 18 2HG1 ILE 18 1.436 6.560 1.350 130 1HG2 ILE 18 1HG2 ILE 18 0.213 10.541 0.481 131 2HG2 ILE 18 2HG2 ILE 18 0.035 9.304 -0.763 132 3HG2 ILE 18 3HG2 ILE 18 -0.990 9.266 0.672 133 1HD1 ILE 18 1HD1 ILE 18 -1.351 7.028 0.378 134 2HD1 ILE 18 2HD1 ILE 18 -0.696 5.662 1.281 135 3HD1 ILE 18 3HD1 ILE 18 -0.937 7.214 2.082 136 H ASN 19 H ASN 19 2.628 8.239 2.945 137 HA ASN 19 HA ASN 19 4.799 6.329 2.387 138 1HB ASN 19 1HB ASN 19 5.239 8.620 3.730 139 2HB ASN 19 2HB ASN 19 4.717 7.600 5.068 140 1HD2 ASN 19 1HD2 ASN 19 5.883 5.631 5.453 141 2HD2 ASN 19 2HD2 ASN 19 7.550 5.521 5.014 142 H LEU 20 H LEU 20 4.651 4.356 3.340 143 HA LEU 20 HA LEU 20 2.656 3.903 5.416 144 1HB LEU 20 1HB LEU 20 1.851 3.521 2.905 145 2HB LEU 20 2HB LEU 20 2.638 1.966 3.170 146 HG LEU 20 HG LEU 20 1.098 2.063 5.366 147 1HD1 LEU 20 1HD1 LEU 20 -0.784 3.217 3.373 148 2HD1 LEU 20 2HD1 LEU 20 0.221 4.311 4.322 149 3HD1 LEU 20 3HD1 LEU 20 -0.875 3.194 5.134 150 1HD2 LEU 20 1HD2 LEU 20 0.649 0.151 4.310 151 2HD2 LEU 20 2HD2 LEU 20 0.927 0.865 2.721 152 3HD2 LEU 20 3HD2 LEU 20 -0.648 1.031 3.501 153 H LYS 21 H LYS 21 2.985 2.000 6.619 154 HA LYS 21 HA LYS 21 5.268 0.320 5.970 155 1HB LYS 21 1HB LYS 21 6.262 0.645 8.233 156 2HB LYS 21 2HB LYS 21 6.352 2.074 7.212 157 1HG LYS 21 1HG LYS 21 4.285 2.905 8.381 158 2HG LYS 21 2HG LYS 21 4.492 1.570 9.518 159 1HD LYS 21 1HD LYS 21 5.541 3.402 10.545 160 2HD LYS 21 2HD LYS 21 6.863 2.455 9.858 161 1HE LYS 21 1HE LYS 21 6.411 4.057 7.786 162 2HE LYS 21 2HE LYS 21 5.802 5.112 9.060 163 1HZ LYS 21 1HZ LYS 21 8.401 4.860 8.315 164 2HZ LYS 21 2HZ LYS 21 8.322 3.911 9.713 165 3HZ LYS 21 3HZ LYS 21 7.856 5.536 9.767 166 H VAL 22 H VAL 22 4.648 -1.706 6.279 167 HA VAL 22 HA VAL 22 2.389 -2.278 8.028 168 HB VAL 22 HB VAL 22 3.883 -4.227 6.278 169 1HG1 VAL 22 1HG1 VAL 22 2.501 -5.726 7.153 170 2HG1 VAL 22 2HG1 VAL 22 1.744 -4.478 8.144 171 3HG1 VAL 22 3HG1 VAL 22 1.130 -4.813 6.525 172 1HG2 VAL 22 1HG2 VAL 22 2.116 -3.840 4.605 173 2HG2 VAL 22 2HG2 VAL 22 1.491 -2.520 5.593 174 3HG2 VAL 22 3HG2 VAL 22 3.102 -2.404 4.884 175 H ALA 23 H ALA 23 2.663 -2.927 10.050 176 HA ALA 23 HA ALA 23 5.048 -4.506 10.728 177 1HB ALA 23 1HB ALA 23 4.000 -2.106 12.211 178 2HB ALA 23 2HB ALA 23 5.127 -3.266 12.915 179 3HB ALA 23 3HB ALA 23 5.598 -2.329 11.497 180 H GLY 24 H GLY 24 4.526 -6.364 11.675 181 1HA GLY 24 2HA GLY 24 1.806 -6.870 12.485 182 2HA GLY 24 3HA GLY 24 3.133 -8.022 12.500 183 H GLN 25 H GLN 25 1.003 -7.203 14.504 184 HA GLN 25 HA GLN 25 2.173 -5.882 16.672 185 1HB GLN 25 1HB GLN 25 -0.187 -6.197 16.669 186 2HB GLN 25 2HB GLN 25 -0.023 -7.942 16.528 187 1HG GLN 25 1HG GLN 25 -0.690 -7.343 18.765 188 2HG GLN 25 2HG GLN 25 0.934 -8.028 18.778 189 1HE2 GLN 25 1HE2 GLN 25 0.878 -6.928 20.919 190 2HE2 GLN 25 2HE2 GLN 25 1.395 -5.281 20.983 191 H ASP 26 H ASP 26 2.732 -9.012 15.416 192 HA ASP 26 HA ASP 26 3.716 -10.173 17.859 193 1HB ASP 26 1HB ASP 26 3.599 -11.026 14.991 194 2HB ASP 26 2HB ASP 26 4.672 -11.877 16.098 195 H GLY 27 H GLY 27 5.436 -9.765 14.765 196 1HA GLY 27 2HA GLY 27 7.544 -8.225 15.951 197 2HA GLY 27 3HA GLY 27 8.002 -9.905 15.710 198 H SER 28 H SER 28 6.190 -7.497 13.802 199 HA SER 28 HA SER 28 8.119 -7.890 11.622 200 1HB SER 28 1HB SER 28 5.141 -8.239 11.520 201 2HB SER 28 2HB SER 28 6.005 -7.679 10.088 202 HG SER 28 HG SER 28 6.857 -9.967 11.498 203 H VAL 29 H VAL 29 8.353 -6.131 10.201 204 HA VAL 29 HA VAL 29 6.811 -3.761 10.365 205 HB VAL 29 HB VAL 29 7.860 -3.423 12.504 206 1HG1 VAL 29 1HG1 VAL 29 10.600 -3.096 11.819 207 2HG1 VAL 29 2HG1 VAL 29 9.877 -4.225 12.967 208 3HG1 VAL 29 3HG1 VAL 29 10.078 -4.691 11.277 209 1HG2 VAL 29 1HG2 VAL 29 8.273 -1.248 12.146 210 2HG2 VAL 29 2HG2 VAL 29 9.577 -1.583 11.006 211 3HG2 VAL 29 3HG2 VAL 29 7.900 -1.615 10.462 212 H VAL 30 H VAL 30 6.939 -3.031 8.357 213 HA VAL 30 HA VAL 30 9.564 -2.868 7.059 214 HB VAL 30 HB VAL 30 7.112 -3.871 5.613 215 1HG1 VAL 30 1HG1 VAL 30 8.914 -4.561 3.948 216 2HG1 VAL 30 2HG1 VAL 30 8.548 -2.838 4.067 217 3HG1 VAL 30 3HG1 VAL 30 9.991 -3.491 4.845 218 1HG2 VAL 30 1HG2 VAL 30 7.840 -5.511 7.278 219 2HG2 VAL 30 2HG2 VAL 30 8.153 -6.077 5.637 220 3HG2 VAL 30 3HG2 VAL 30 9.476 -5.452 6.622 221 H GLN 31 H GLN 31 9.846 -1.121 5.725 222 HA GLN 31 HA GLN 31 7.638 0.822 5.690 223 1HB GLN 31 1HB GLN 31 10.621 1.135 5.774 224 2HB GLN 31 2HB GLN 31 9.608 2.440 5.173 225 1HG GLN 31 1HG GLN 31 8.346 2.308 7.346 226 2HG GLN 31 2HG GLN 31 9.612 1.224 7.919 227 1HE2 GLN 31 1HE2 GLN 31 11.113 2.182 9.069 228 2HE2 GLN 31 2HE2 GLN 31 11.644 3.817 8.904 229 H PHE 32 H PHE 32 6.981 1.754 3.804 230 HA PHE 32 HA PHE 32 8.452 1.263 1.347 231 1HB PHE 32 1HB PHE 32 6.147 -0.299 2.112 232 2HB PHE 32 2HB PHE 32 5.806 0.620 0.650 233 HD1 PHE 32 1HD PHE 32 6.860 0.092 -1.418 234 HD2 PHE 32 2HD PHE 32 7.986 -1.929 2.155 235 HE1 PHE 32 1HE PHE 32 8.088 -1.572 -2.750 236 HE2 PHE 32 2HE PHE 32 9.217 -3.595 0.829 237 HZ PHE 32 HZ PHE 32 9.270 -3.418 -1.627 238 H LYS 33 H LYS 33 7.343 2.352 -0.540 239 HA LYS 33 HA LYS 33 5.781 4.689 0.323 240 1HB LYS 33 1HB LYS 33 7.106 6.137 -1.133 241 2HB LYS 33 2HB LYS 33 8.122 5.380 0.087 242 1HG LYS 33 1HG LYS 33 8.821 3.706 -1.599 243 2HG LYS 33 2HG LYS 33 7.891 4.593 -2.809 244 1HD LYS 33 1HD LYS 33 9.900 6.069 -1.175 245 2HD LYS 33 2HD LYS 33 10.467 5.030 -2.485 246 1HE LYS 33 1HE LYS 33 10.220 7.104 -3.509 247 2HE LYS 33 2HE LYS 33 8.728 6.264 -3.927 248 1HZ LYS 33 1HZ LYS 33 7.515 7.739 -2.810 249 2HZ LYS 33 2HZ LYS 33 8.892 8.721 -2.790 250 3HZ LYS 33 3HZ LYS 33 8.543 7.727 -1.466 251 H ILE 34 H ILE 34 4.161 5.295 -1.025 252 HA ILE 34 HA ILE 34 4.067 4.479 -3.777 253 HB ILE 34 HB ILE 34 3.285 2.464 -2.328 254 1HG1 ILE 34 1HG1 ILE 34 1.199 3.122 -4.330 255 2HG1 ILE 34 2HG1 ILE 34 2.866 3.180 -4.894 256 1HG2 ILE 34 1HG2 ILE 34 1.694 4.185 -1.111 257 2HG2 ILE 34 2HG2 ILE 34 0.610 3.755 -2.433 258 3HG2 ILE 34 3HG2 ILE 34 1.220 2.503 -1.351 259 1HD1 ILE 34 1HD1 ILE 34 2.918 0.823 -3.644 260 2HD1 ILE 34 2HD1 ILE 34 1.213 0.878 -4.092 261 3HD1 ILE 34 3HD1 ILE 34 2.456 1.012 -5.335 262 H LYS 35 H LYS 35 2.004 5.182 -4.824 263 HA LYS 35 HA LYS 35 1.398 7.848 -4.058 264 1HB LYS 35 1HB LYS 35 -0.052 7.897 -5.971 265 2HB LYS 35 2HB LYS 35 1.397 7.002 -6.408 266 1HG LYS 35 1HG LYS 35 0.214 4.903 -6.140 267 2HG LYS 35 2HG LYS 35 -1.235 5.767 -5.620 268 1HD LYS 35 1HD LYS 35 -1.813 6.297 -7.724 269 2HD LYS 35 2HD LYS 35 -0.153 6.687 -8.181 270 1HE LYS 35 1HE LYS 35 0.337 4.295 -8.400 271 2HE LYS 35 2HE LYS 35 -1.327 3.916 -7.958 272 1HZ LYS 35 1HZ LYS 35 -2.031 5.220 -9.929 273 2HZ LYS 35 2HZ LYS 35 -1.140 3.836 -10.316 274 3HZ LYS 35 3HZ LYS 35 -0.407 5.359 -10.382 275 H ARG 36 H ARG 36 -1.263 8.224 -4.432 276 HA ARG 36 HA ARG 36 -2.347 7.178 -1.948 277 1HB ARG 36 1HB ARG 36 -3.000 9.425 -3.785 278 2HB ARG 36 2HB ARG 36 -4.316 8.754 -2.832 279 1HG ARG 36 1HG ARG 36 -2.654 9.054 -0.845 280 2HG ARG 36 2HG ARG 36 -1.874 10.204 -1.933 281 1HD ARG 36 1HD ARG 36 -4.740 10.256 -0.996 282 2HD ARG 36 2HD ARG 36 -3.454 11.363 -0.519 283 HE ARG 36 HE ARG 36 -3.845 11.355 -3.340 284 1HH1 ARG 36 2HH1 ARG 36 -5.135 12.578 -0.347 285 2HH1 ARG 36 1HH1 ARG 36 -5.859 13.972 -1.077 286 1HH2 ARG 36 2HH2 ARG 36 -4.793 13.187 -4.313 287 2HH2 ARG 36 1HH2 ARG 36 -5.665 14.317 -3.334 288 H HIS 37 H HIS 37 -3.323 7.333 -5.369 289 HA HIS 37 HA HIS 37 -5.395 5.338 -4.875 290 1HB HIS 37 1HB HIS 37 -5.881 7.362 -6.257 291 2HB HIS 37 2HB HIS 37 -4.724 6.777 -7.449 292 HD1 HIS 37 1HD HIS 37 -7.699 5.181 -5.672 293 HD2 HIS 37 2HD HIS 37 -6.068 5.612 -9.468 294 HE1 HIS 37 1HE HIS 37 -9.245 3.934 -7.214 295 H THR 38 H THR 38 -3.398 3.907 -4.371 296 HA THR 38 HA THR 38 -2.418 2.658 -6.850 297 HB THR 38 HB THR 38 -0.765 3.530 -5.086 298 HG1 THR 38 1HG THR 38 -0.480 0.774 -5.711 299 1HG2 THR 38 1HG2 THR 38 -1.999 2.561 -3.150 300 2HG2 THR 38 2HG2 THR 38 -0.301 2.090 -3.212 301 3HG2 THR 38 3HG2 THR 38 -1.550 0.954 -3.721 302 HA PRO 39 HA PRO 39 -4.926 -0.878 -6.052 303 1HB PRO 39 1HB PRO 39 -3.565 -2.688 -7.548 304 2HB PRO 39 2HB PRO 39 -4.581 -1.427 -8.256 305 1HG PRO 39 1HG PRO 39 -1.608 -1.492 -7.910 306 2HG PRO 39 2HG PRO 39 -2.560 -0.957 -9.307 307 1HD PRO 39 1HD PRO 39 -1.480 0.777 -7.529 308 2HD PRO 39 2HD PRO 39 -3.009 1.101 -8.371 309 H LEU 40 H LEU 40 -4.837 -1.704 -4.044 310 HA LEU 40 HA LEU 40 -2.614 -2.353 -2.552 311 1HB LEU 40 1HB LEU 40 -5.439 -3.338 -2.511 312 2HB LEU 40 2HB LEU 40 -4.244 -4.019 -1.410 313 HG LEU 40 HG LEU 40 -4.973 -1.095 -1.549 314 1HD1 LEU 40 1HD1 LEU 40 -5.913 -3.289 0.284 315 2HD1 LEU 40 2HD1 LEU 40 -6.890 -2.258 -0.760 316 3HD1 LEU 40 3HD1 LEU 40 -6.080 -1.571 0.647 317 1HD2 LEU 40 1HD2 LEU 40 -3.866 -1.286 0.801 318 2HD2 LEU 40 2HD2 LEU 40 -2.855 -1.140 -0.637 319 3HD2 LEU 40 3HD2 LEU 40 -3.096 -2.717 0.115 320 H SER 41 H SER 41 -4.111 -4.148 -5.109 321 HA SER 41 HA SER 41 -3.340 -6.739 -4.628 322 1HB SER 41 1HB SER 41 -3.041 -5.516 -7.364 323 2HB SER 41 2HB SER 41 -3.574 -7.142 -6.939 324 HG SER 41 HG SER 41 -5.537 -6.421 -6.595 325 H LYS 42 H LYS 42 -1.429 -4.334 -6.442 326 HA LYS 42 HA LYS 42 0.864 -5.822 -6.818 327 1HB LYS 42 1HB LYS 42 1.939 -3.833 -7.370 328 2HB LYS 42 2HB LYS 42 0.246 -3.445 -7.646 329 1HG LYS 42 1HG LYS 42 0.198 -2.437 -5.354 330 2HG LYS 42 2HG LYS 42 1.948 -2.658 -5.295 331 1HD LYS 42 1HD LYS 42 0.568 -1.153 -7.506 332 2HD LYS 42 2HD LYS 42 1.126 -0.373 -6.024 333 1HE LYS 42 1HE LYS 42 3.402 -1.105 -6.482 334 2HE LYS 42 2HE LYS 42 2.857 -1.940 -7.935 335 1HZ LYS 42 1HZ LYS 42 2.029 0.772 -7.965 336 2HZ LYS 42 2HZ LYS 42 2.984 -0.065 -9.083 337 3HZ LYS 42 3HZ LYS 42 3.704 0.675 -7.743 338 H LEU 43 H LEU 43 -0.293 -4.272 -3.928 339 HA LEU 43 HA LEU 43 2.187 -4.369 -2.507 340 1HB LEU 43 1HB LEU 43 -0.076 -3.009 -2.120 341 2HB LEU 43 2HB LEU 43 -0.387 -4.363 -1.037 342 HG LEU 43 HG LEU 43 1.691 -3.840 0.178 343 1HD1 LEU 43 1HD1 LEU 43 2.398 -1.317 -0.431 344 2HD1 LEU 43 2HD1 LEU 43 1.978 -1.917 -2.035 345 3HD1 LEU 43 3HD1 LEU 43 3.206 -2.745 -1.078 346 1HD2 LEU 43 1HD2 LEU 43 0.877 -1.840 1.284 347 2HD2 LEU 43 2HD2 LEU 43 -0.466 -2.921 0.910 348 3HD2 LEU 43 3HD2 LEU 43 -0.182 -1.490 -0.083 349 H MET 44 H MET 44 -0.861 -6.157 -1.982 350 HA MET 44 HA MET 44 0.114 -8.046 -0.218 351 1HB MET 44 1HB MET 44 -1.768 -9.498 -1.045 352 2HB MET 44 2HB MET 44 -2.240 -7.878 -0.552 353 1HG MET 44 1HG MET 44 -2.161 -7.211 -2.956 354 2HG MET 44 2HG MET 44 -1.904 -8.907 -3.356 355 1HE MET 44 1HE MET 44 -5.491 -6.577 -2.297 356 2HE MET 44 2HE MET 44 -5.027 -7.306 -0.760 357 3HE MET 44 3HE MET 44 -3.863 -6.336 -1.663 358 H LYS 45 H LYS 45 -0.055 -8.240 -3.762 359 HA LYS 45 HA LYS 45 0.888 -10.800 -4.149 360 1HB LYS 45 1HB LYS 45 0.080 -9.190 -5.912 361 2HB LYS 45 2HB LYS 45 1.664 -8.427 -5.849 362 1HG LYS 45 1HG LYS 45 2.696 -10.155 -6.912 363 2HG LYS 45 2HG LYS 45 1.556 -11.357 -6.303 364 1HD LYS 45 1HD LYS 45 0.557 -9.281 -8.189 365 2HD LYS 45 2HD LYS 45 1.541 -10.598 -8.833 366 1HE LYS 45 1HE LYS 45 -0.970 -10.919 -7.190 367 2HE LYS 45 2HE LYS 45 -0.862 -11.098 -8.940 368 1HZ LYS 45 1HZ LYS 45 1.024 -12.792 -8.180 369 2HZ LYS 45 2HZ LYS 45 -0.592 -13.249 -8.377 370 3HZ LYS 45 3HZ LYS 45 0.006 -12.905 -6.833 371 H ALA 46 H ALA 46 2.847 -7.826 -3.983 372 HA ALA 46 HA ALA 46 5.348 -9.080 -4.159 373 1HB ALA 46 1HB ALA 46 6.110 -6.929 -2.928 374 2HB ALA 46 2HB ALA 46 5.413 -6.800 -4.544 375 3HB ALA 46 3HB ALA 46 4.430 -6.428 -3.127 376 H TYR 47 H TYR 47 3.311 -8.318 -1.380 377 HA TYR 47 HA TYR 47 5.046 -8.770 0.705 378 1HB TYR 47 1HB TYR 47 2.392 -8.269 0.533 379 2HB TYR 47 2HB TYR 47 2.355 -9.956 1.035 380 HD1 TYR 47 1HD TYR 47 1.680 -7.117 2.439 381 HD2 TYR 47 2HD TYR 47 4.745 -10.046 2.798 382 HE1 TYR 47 1HE TYR 47 2.059 -6.425 4.768 383 HE2 TYR 47 2HE TYR 47 5.132 -9.363 5.129 384 HH TYR 47 HH TYR 47 3.198 -7.905 6.965 385 H CYS 48 H CYS 48 2.836 -11.233 -0.635 386 HA CYS 48 HA CYS 48 3.804 -13.427 0.714 387 1HB CYS 48 1HB CYS 48 1.829 -13.158 -0.999 388 2HB CYS 48 2HB CYS 48 3.025 -13.717 -2.163 389 HG CYS 48 HG CYS 48 1.123 -15.681 -0.914 390 H GLU 49 H GLU 49 4.981 -12.040 -2.325 391 HA GLU 49 HA GLU 49 6.821 -13.946 -3.076 392 1HB GLU 49 1HB GLU 49 6.161 -11.684 -4.183 393 2HB GLU 49 2HB GLU 49 7.505 -11.030 -3.258 394 1HG GLU 49 1HG GLU 49 9.076 -12.332 -4.402 395 2HG GLU 49 2HG GLU 49 7.838 -13.405 -5.054 396 H ARG 50 H ARG 50 7.084 -11.511 -0.562 397 HA ARG 50 HA ARG 50 9.841 -12.298 0.003 398 1HB ARG 50 1HB ARG 50 8.967 -9.862 -0.038 399 2HB ARG 50 2HB ARG 50 8.274 -10.240 1.534 400 1HG ARG 50 1HG ARG 50 11.142 -10.861 1.116 401 2HG ARG 50 2HG ARG 50 10.677 -9.165 1.266 402 1HD ARG 50 1HD ARG 50 9.325 -10.067 3.336 403 2HD ARG 50 2HD ARG 50 10.508 -11.372 3.261 404 HE ARG 50 HE ARG 50 10.948 -8.742 4.222 405 1HH1 ARG 50 2HH1 ARG 50 12.479 -11.322 2.457 406 2HH1 ARG 50 1HH1 ARG 50 14.084 -10.860 2.917 407 1HH2 ARG 50 2HH2 ARG 50 13.056 -8.123 4.835 408 2HH2 ARG 50 1HH2 ARG 50 14.411 -9.041 4.270 409 H GLN 51 H GLN 51 7.006 -11.627 2.062 410 HA GLN 51 HA GLN 51 7.835 -13.878 3.766 411 1HB GLN 51 1HB GLN 51 6.461 -11.279 4.362 412 2HB GLN 51 2HB GLN 51 6.262 -12.652 5.443 413 1HG GLN 51 1HG GLN 51 8.418 -12.576 6.170 414 2HG GLN 51 2HG GLN 51 9.019 -11.885 4.664 415 1HE2 GLN 51 1HE2 GLN 51 7.014 -11.115 7.474 416 2HE2 GLN 51 2HE2 GLN 51 7.460 -9.448 7.557 417 H GLY 52 H GLY 52 6.615 -14.973 1.824 418 1HA GLY 52 2HA GLY 52 3.729 -14.909 2.067 419 2HA GLY 52 3HA GLY 52 4.664 -15.905 0.962 420 H LEU 53 H LEU 53 3.961 -15.559 4.434 421 HA LEU 53 HA LEU 53 4.457 -18.396 4.838 422 1HB LEU 53 1HB LEU 53 3.430 -16.537 6.943 423 2HB LEU 53 2HB LEU 53 4.443 -17.968 7.121 424 HG LEU 53 HG LEU 53 5.375 -15.367 5.911 425 1HD1 LEU 53 1HD1 LEU 53 6.169 -16.368 8.614 426 2HD1 LEU 53 2HD1 LEU 53 4.705 -15.406 8.412 427 3HD1 LEU 53 3HD1 LEU 53 6.270 -14.738 7.948 428 1HD2 LEU 53 1HD2 LEU 53 6.933 -17.757 6.887 429 2HD2 LEU 53 2HD2 LEU 53 7.582 -16.307 6.120 430 3HD2 LEU 53 3HD2 LEU 53 6.568 -17.417 5.196 431 H SER 54 H SER 54 1.782 -16.107 4.861 432 HA SER 54 HA SER 54 -0.102 -18.234 4.411 433 1HB SER 54 1HB SER 54 -0.056 -16.740 7.028 434 2HB SER 54 2HB SER 54 -1.540 -17.456 6.400 435 HG SER 54 HG SER 54 0.025 -18.718 7.862 436 H MET 55 H MET 55 -0.370 -17.000 2.488 437 HA MET 55 HA MET 55 -1.057 -14.290 2.391 438 1HB MET 55 1HB MET 55 -2.020 -14.839 0.151 439 2HB MET 55 2HB MET 55 -0.377 -15.420 0.387 440 1HG MET 55 1HG MET 55 -1.100 -17.649 0.656 441 2HG MET 55 2HG MET 55 -2.786 -17.158 0.810 442 1HE MET 55 1HE MET 55 -0.802 -19.168 -1.552 443 2HE MET 55 2HE MET 55 -2.393 -19.429 -0.836 444 3HE MET 55 3HE MET 55 -2.231 -19.248 -2.584 445 H ARG 56 H ARG 56 -2.914 -17.074 3.249 446 HA ARG 56 HA ARG 56 -5.451 -15.667 2.972 447 1HB ARG 56 1HB ARG 56 -4.752 -18.480 3.815 448 2HB ARG 56 2HB ARG 56 -6.391 -17.845 3.849 449 1HG ARG 56 1HG ARG 56 -6.558 -17.775 1.555 450 2HG ARG 56 2HG ARG 56 -4.810 -17.694 1.326 451 1HD ARG 56 1HD ARG 56 -4.533 -19.968 1.652 452 2HD ARG 56 2HD ARG 56 -6.043 -20.126 2.548 453 HE ARG 56 HE ARG 56 -6.419 -19.376 -0.196 454 1HH1 ARG 56 2HH1 ARG 56 -5.958 -22.042 1.995 455 2HH1 ARG 56 1HH1 ARG 56 -6.719 -23.199 0.954 456 1HH2 ARG 56 2HH2 ARG 56 -7.424 -20.890 -1.575 457 2HH2 ARG 56 1HH2 ARG 56 -7.552 -22.543 -1.077 458 H GLN 57 H GLN 57 -3.152 -15.230 5.043 459 HA GLN 57 HA GLN 57 -4.948 -15.089 7.372 460 1HB GLN 57 1HB GLN 57 -3.251 -16.843 7.692 461 2HB GLN 57 2HB GLN 57 -1.980 -15.662 7.408 462 1HG GLN 57 1HG GLN 57 -2.952 -14.389 9.388 463 2HG GLN 57 2HG GLN 57 -3.856 -15.862 9.736 464 1HE2 GLN 57 1HE2 GLN 57 -2.364 -17.884 9.606 465 2HE2 GLN 57 2HE2 GLN 57 -0.889 -17.751 10.495 466 H ILE 58 H ILE 58 -2.198 -13.681 5.668 467 HA ILE 58 HA ILE 58 -1.815 -11.437 7.302 468 HB ILE 58 HB ILE 58 -1.353 -11.673 4.326 469 1HG1 ILE 58 1HG1 ILE 58 -0.164 -13.376 5.669 470 2HG1 ILE 58 2HG1 ILE 58 0.944 -12.232 4.919 471 1HG2 ILE 58 1HG2 ILE 58 -1.116 -9.450 6.104 472 2HG2 ILE 58 2HG2 ILE 58 0.487 -9.920 5.540 473 3HG2 ILE 58 3HG2 ILE 58 -0.778 -9.531 4.375 474 1HD1 ILE 58 1HD1 ILE 58 1.544 -12.798 7.236 475 2HD1 ILE 58 2HD1 ILE 58 1.230 -11.077 7.009 476 3HD1 ILE 58 3HD1 ILE 58 0.018 -12.101 7.778 477 H ARG 59 H ARG 59 -3.181 -9.853 7.757 478 HA ARG 59 HA ARG 59 -4.915 -8.814 5.630 479 1HB ARG 59 1HB ARG 59 -6.020 -10.431 7.405 480 2HB ARG 59 2HB ARG 59 -6.003 -8.986 8.406 481 1HG ARG 59 1HG ARG 59 -7.312 -7.791 6.752 482 2HG ARG 59 2HG ARG 59 -7.281 -9.199 5.688 483 1HD ARG 59 1HD ARG 59 -8.563 -9.016 8.411 484 2HD ARG 59 2HD ARG 59 -9.393 -9.105 6.858 485 HE ARG 59 HE ARG 59 -8.236 -11.284 8.335 486 1HH1 ARG 59 2HH1 ARG 59 -9.227 -10.153 5.195 487 2HH1 ARG 59 1HH1 ARG 59 -9.443 -11.744 4.546 488 1HH2 ARG 59 2HH2 ARG 59 -8.516 -13.385 7.491 489 2HH2 ARG 59 1HH2 ARG 59 -9.039 -13.582 5.853 490 H PHE 60 H PHE 60 -5.397 -6.620 5.766 491 HA PHE 60 HA PHE 60 -3.524 -5.084 7.366 492 1HB PHE 60 1HB PHE 60 -5.425 -4.361 5.139 493 2HB PHE 60 2HB PHE 60 -4.526 -3.145 6.041 494 HD1 PHE 60 1HD PHE 60 -1.925 -3.635 6.207 495 HD2 PHE 60 2HD PHE 60 -4.517 -5.146 3.188 496 HE1 PHE 60 1HE PHE 60 0.005 -3.955 4.715 497 HE2 PHE 60 2HE PHE 60 -2.591 -5.470 1.691 498 HZ PHE 60 HZ PHE 60 -0.326 -4.874 2.455 499 H ARG 61 H ARG 61 -4.032 -4.308 9.294 500 HA ARG 61 HA ARG 61 -6.796 -3.460 9.806 501 1HB ARG 61 1HB ARG 61 -5.141 -5.378 11.411 502 2HB ARG 61 2HB ARG 61 -6.337 -4.368 12.212 503 1HG ARG 61 1HG ARG 61 -7.879 -5.326 10.276 504 2HG ARG 61 2HG ARG 61 -6.707 -6.643 10.355 505 1HD ARG 61 1HD ARG 61 -7.109 -6.723 12.830 506 2HD ARG 61 2HD ARG 61 -8.428 -5.578 12.587 507 HE ARG 61 HE ARG 61 -8.707 -7.844 10.896 508 1HH1 ARG 61 2HH1 ARG 61 -9.113 -6.770 14.183 509 2HH1 ARG 61 1HH1 ARG 61 -10.354 -7.923 14.544 510 1HH2 ARG 61 2HH2 ARG 61 -10.341 -9.367 11.360 511 2HH2 ARG 61 1HH2 ARG 61 -11.051 -9.400 12.938 512 H PHE 62 H PHE 62 -6.900 -1.466 10.598 513 HA PHE 62 HA PHE 62 -4.435 -0.230 11.593 514 1HB PHE 62 1HB PHE 62 -5.769 0.790 9.675 515 2HB PHE 62 2HB PHE 62 -6.995 1.193 10.872 516 HD1 PHE 62 1HD PHE 62 -3.290 1.492 10.504 517 HD2 PHE 62 2HD PHE 62 -6.946 3.335 11.668 518 HE1 PHE 62 1HE PHE 62 -2.071 3.559 11.047 519 HE2 PHE 62 2HE PHE 62 -5.732 5.405 12.212 520 HZ PHE 62 HZ PHE 62 -3.292 5.519 11.901 521 H ASP 63 H ASP 63 -4.682 1.377 13.369 522 HA ASP 63 HA ASP 63 -6.016 0.147 15.590 523 1HB ASP 63 1HB ASP 63 -3.768 1.407 15.601 524 2HB ASP 63 2HB ASP 63 -4.742 2.874 15.635 525 H GLY 64 H GLY 64 -8.090 0.536 14.113 526 1HA GLY 64 2HA GLY 64 -9.718 2.353 15.561 527 2HA GLY 64 3HA GLY 64 -9.336 3.015 13.979 528 H GLN 65 H GLN 65 -9.271 0.436 12.651 529 HA GLN 65 HA GLN 65 -11.606 -1.051 12.995 530 1HB GLN 65 1HB GLN 65 -12.821 -0.102 10.914 531 2HB GLN 65 2HB GLN 65 -13.002 0.730 12.453 532 1HG GLN 65 1HG GLN 65 -11.516 2.446 11.811 533 2HG GLN 65 2HG GLN 65 -10.964 1.539 10.404 534 1HE2 GLN 65 1HE2 GLN 65 -11.683 3.997 9.880 535 2HE2 GLN 65 2HE2 GLN 65 -13.234 4.081 9.125 536 HA PRO 66 HA PRO 66 -9.648 -3.529 9.952 537 1HB PRO 66 1HB PRO 66 -11.756 -4.839 8.853 538 2HB PRO 66 2HB PRO 66 -11.154 -5.181 10.480 539 1HG PRO 66 1HG PRO 66 -13.487 -3.505 9.636 540 2HG PRO 66 2HG PRO 66 -13.371 -4.673 10.966 541 1HD PRO 66 1HD PRO 66 -13.182 -2.000 11.354 542 2HD PRO 66 2HD PRO 66 -12.306 -3.174 12.356 543 H ILE 67 H ILE 67 -10.156 -4.317 7.523 544 HA ILE 67 HA ILE 67 -11.002 -1.988 5.945 545 HB ILE 67 HB ILE 67 -8.538 -3.589 5.274 546 1HG1 ILE 67 1HG1 ILE 67 -8.724 -0.887 6.624 547 2HG1 ILE 67 2HG1 ILE 67 -8.172 -2.378 7.379 548 1HG2 ILE 67 1HG2 ILE 67 -9.777 -2.429 3.441 549 2HG2 ILE 67 2HG2 ILE 67 -9.442 -0.903 4.257 550 3HG2 ILE 67 3HG2 ILE 67 -8.111 -1.889 3.652 551 1HD1 ILE 67 1HD1 ILE 67 -6.535 -2.200 5.206 552 2HD1 ILE 67 2HD1 ILE 67 -6.751 -0.508 5.656 553 3HD1 ILE 67 3HD1 ILE 67 -6.136 -1.664 6.838 554 H ASN 68 H ASN 68 -12.277 -2.479 4.270 555 HA ASN 68 HA ASN 68 -12.276 -5.233 3.249 556 1HB ASN 68 1HB ASN 68 -14.773 -3.631 3.847 557 2HB ASN 68 2HB ASN 68 -14.710 -5.267 3.198 558 1HD2 ASN 68 1HD2 ASN 68 -14.300 -3.276 6.009 559 2HD2 ASN 68 2HD2 ASN 68 -14.264 -4.561 7.164 560 H GLU 69 H GLU 69 -14.057 -5.144 1.288 561 HA GLU 69 HA GLU 69 -14.130 -4.623 -0.941 562 1HB GLU 69 1HB GLU 69 -15.035 -2.473 -1.397 563 2HB GLU 69 2HB GLU 69 -15.638 -2.943 0.186 564 1HG GLU 69 1HG GLU 69 -14.293 -1.418 1.296 565 2HG GLU 69 2HG GLU 69 -13.179 -1.263 -0.062 566 H THR 70 H THR 70 -11.453 -4.707 0.228 567 HA THR 70 HA THR 70 -9.291 -4.036 -0.164 568 HB THR 70 HB THR 70 -9.846 -5.358 -2.179 569 HG1 THR 70 1HG THR 70 -8.239 -3.174 -2.993 570 1HG2 THR 70 1HG2 THR 70 -10.258 -4.067 -4.302 571 2HG2 THR 70 2HG2 THR 70 -10.587 -2.656 -3.295 572 3HG2 THR 70 3HG2 THR 70 -11.607 -4.089 -3.167 573 H ASP 71 H ASP 71 -10.970 -1.861 0.615 574 HA ASP 71 HA ASP 71 -10.895 0.417 -0.919 575 1HB ASP 71 1HB ASP 71 -10.961 -0.152 1.978 576 2HB ASP 71 2HB ASP 71 -10.404 1.461 1.540 577 H THR 72 H THR 72 -9.468 2.214 -1.029 578 HA THR 72 HA THR 72 -6.669 1.417 -1.012 579 HB THR 72 HB THR 72 -6.500 3.880 -1.981 580 HG1 THR 72 1HG THR 72 -8.367 4.609 -2.848 581 1HG2 THR 72 1HG2 THR 72 -6.335 2.927 -4.059 582 2HG2 THR 72 2HG2 THR 72 -7.787 1.950 -3.847 583 3HG2 THR 72 3HG2 THR 72 -6.281 1.473 -3.064 584 HA PRO 73 HA PRO 73 -5.424 3.638 2.562 585 1HB PRO 73 1HB PRO 73 -3.027 4.659 1.800 586 2HB PRO 73 2HB PRO 73 -3.279 2.941 2.128 587 1HG PRO 73 1HG PRO 73 -3.204 4.377 -0.498 588 2HG PRO 73 2HG PRO 73 -2.473 2.824 -0.051 589 1HD PRO 73 1HD PRO 73 -4.793 2.997 -1.436 590 2HD PRO 73 2HD PRO 73 -4.457 1.676 -0.299 591 H ALA 74 H ALA 74 -6.098 5.259 -0.337 592 HA ALA 74 HA ALA 74 -5.500 7.922 0.604 593 1HB ALA 74 1HB ALA 74 -5.324 7.389 -1.771 594 2HB ALA 74 2HB ALA 74 -7.048 7.021 -1.822 595 3HB ALA 74 3HB ALA 74 -6.508 8.666 -1.491 596 H GLN 75 H GLN 75 -8.344 5.867 0.263 597 HA GLN 75 HA GLN 75 -10.070 7.982 1.293 598 1HB GLN 75 1HB GLN 75 -10.884 5.174 0.557 599 2HB GLN 75 2HB GLN 75 -11.912 6.593 0.699 600 1HG GLN 75 1HG GLN 75 -10.330 7.493 -1.212 601 2HG GLN 75 2HG GLN 75 -10.101 5.769 -1.500 602 1HE2 GLN 75 1HE2 GLN 75 -12.282 4.534 -1.420 603 2HE2 GLN 75 2HE2 GLN 75 -13.551 5.235 -2.359 604 H LEU 76 H LEU 76 -7.959 6.349 2.823 605 HA LEU 76 HA LEU 76 -9.733 5.594 5.050 606 1HB LEU 76 1HB LEU 76 -7.582 4.107 3.744 607 2HB LEU 76 2HB LEU 76 -7.427 4.181 5.498 608 HG LEU 76 HG LEU 76 -9.570 3.123 5.783 609 1HD1 LEU 76 1HD1 LEU 76 -10.750 2.263 3.704 610 2HD1 LEU 76 2HD1 LEU 76 -9.775 3.422 2.802 611 3HD1 LEU 76 3HD1 LEU 76 -10.891 3.988 4.044 612 1HD2 LEU 76 1HD2 LEU 76 -8.812 1.043 5.382 613 2HD2 LEU 76 2HD2 LEU 76 -7.340 1.882 4.892 614 3HD2 LEU 76 3HD2 LEU 76 -8.509 1.368 3.675 615 H GLU 77 H GLU 77 -7.490 7.754 4.002 616 HA GLU 77 HA GLU 77 -6.087 9.251 4.992 617 1HB GLU 77 1HB GLU 77 -7.761 8.743 7.454 618 2HB GLU 77 2HB GLU 77 -6.829 10.187 7.085 619 1HG GLU 77 1HG GLU 77 -8.313 10.809 5.346 620 2HG GLU 77 2HG GLU 77 -9.131 9.248 5.399 621 H MET 78 H MET 78 -4.606 7.227 4.788 622 HA MET 78 HA MET 78 -3.425 6.756 7.443 623 1HB MET 78 1HB MET 78 -3.431 4.725 5.211 624 2HB MET 78 2HB MET 78 -2.906 4.490 6.872 625 1HG MET 78 1HG MET 78 -5.737 5.105 6.066 626 2HG MET 78 2HG MET 78 -5.108 3.481 6.334 627 1HE MET 78 1HE MET 78 -7.526 4.293 9.263 628 2HE MET 78 2HE MET 78 -7.437 3.887 7.549 629 3HE MET 78 3HE MET 78 -6.752 2.793 8.751 630 H GLU 79 H GLU 79 -2.459 8.844 6.224 631 HA GLU 79 HA GLU 79 -0.040 7.940 4.805 632 1HB GLU 79 1HB GLU 79 -0.849 10.794 4.686 633 2HB GLU 79 2HB GLU 79 -0.098 9.786 3.458 634 1HG GLU 79 1HG GLU 79 -2.314 8.619 3.222 635 2HG GLU 79 2HG GLU 79 -2.995 9.885 4.242 636 H ASP 80 H ASP 80 1.483 10.214 5.013 637 HA ASP 80 HA ASP 80 2.966 11.282 6.368 638 1HB ASP 80 1HB ASP 80 0.721 12.162 7.300 639 2HB ASP 80 2HB ASP 80 1.006 11.052 8.638 640 H GLU 81 H GLU 81 3.435 8.638 6.069 641 HA GLU 81 HA GLU 81 4.646 6.917 6.934 642 1HB GLU 81 1HB GLU 81 5.060 8.595 9.403 643 2HB GLU 81 2HB GLU 81 6.103 7.333 8.764 644 1HG GLU 81 1HG GLU 81 6.617 8.744 6.830 645 2HG GLU 81 2HG GLU 81 5.592 10.014 7.496 646 H ASP 82 H ASP 82 1.905 6.781 7.240 647 HA ASP 82 HA ASP 82 1.142 6.145 9.913 648 1HB ASP 82 1HB ASP 82 -0.180 6.540 7.478 649 2HB ASP 82 2HB ASP 82 -0.500 4.860 7.901 650 H THR 83 H THR 83 1.200 4.257 10.988 651 HA THR 83 HA THR 83 2.557 2.017 9.687 652 HB THR 83 HB THR 83 1.871 2.208 12.615 653 HG1 THR 83 1HG THR 83 3.402 3.646 12.836 654 1HG2 THR 83 1HG2 THR 83 3.053 0.220 11.025 655 2HG2 THR 83 2HG2 THR 83 2.977 0.280 12.786 656 3HG2 THR 83 3HG2 THR 83 4.370 0.953 11.940 657 H ILE 84 H ILE 84 1.237 0.622 8.709 658 HA ILE 84 HA ILE 84 -1.433 0.130 9.754 659 HB ILE 84 HB ILE 84 -0.148 -1.127 7.332 660 1HG1 ILE 84 1HG1 ILE 84 -0.099 1.299 7.081 661 2HG1 ILE 84 2HG1 ILE 84 -1.321 0.609 6.019 662 1HG2 ILE 84 1HG2 ILE 84 -2.590 -1.289 6.648 663 2HG2 ILE 84 2HG2 ILE 84 -2.055 -2.359 7.943 664 3HG2 ILE 84 3HG2 ILE 84 -2.974 -0.904 8.326 665 1HD1 ILE 84 1HD1 ILE 84 -2.828 1.142 8.175 666 2HD1 ILE 84 2HD1 ILE 84 -1.610 2.409 8.323 667 3HD1 ILE 84 3HD1 ILE 84 -2.571 2.276 6.850 668 H ASP 85 H ASP 85 -1.744 -1.373 11.244 669 HA ASP 85 HA ASP 85 0.204 -3.409 11.787 670 1HB ASP 85 1HB ASP 85 -2.410 -2.582 12.979 671 2HB ASP 85 2HB ASP 85 -1.772 -4.179 13.362 672 H VAL 86 H VAL 86 0.059 -5.601 11.450 673 HA VAL 86 HA VAL 86 -1.881 -6.425 9.415 674 HB VAL 86 HB VAL 86 0.644 -6.765 9.136 675 1HG1 VAL 86 1HG1 VAL 86 1.789 -8.137 10.479 676 2HG1 VAL 86 2HG1 VAL 86 0.433 -7.964 11.594 677 3HG1 VAL 86 3HG1 VAL 86 0.502 -9.342 10.495 678 1HG2 VAL 86 1HG2 VAL 86 -1.210 -7.854 7.812 679 2HG2 VAL 86 2HG2 VAL 86 0.321 -8.728 7.848 680 3HG2 VAL 86 3HG2 VAL 86 -1.020 -9.258 8.863 681 H PHE 87 H PHE 87 -2.807 -8.604 9.564 682 HA PHE 87 HA PHE 87 -3.381 -9.326 12.362 683 1HB PHE 87 1HB PHE 87 -5.276 -8.415 10.902 684 2HB PHE 87 2HB PHE 87 -5.172 -9.931 10.014 685 HD1 PHE 87 1HD PHE 87 -6.989 -11.234 10.529 686 HD2 PHE 87 2HD PHE 87 -5.009 -9.126 13.652 687 HE1 PHE 87 1HE PHE 87 -8.464 -12.304 12.182 688 HE2 PHE 87 2HE PHE 87 -6.480 -10.193 15.310 689 HZ PHE 87 HZ PHE 87 -8.210 -11.785 14.576 690 H GLN 88 H GLN 88 -2.417 -11.141 12.961 691 HA GLN 88 HA GLN 88 -1.951 -13.231 10.943 692 1HB GLN 88 1HB GLN 88 -0.565 -12.995 13.610 693 2HB GLN 88 2HB GLN 88 -0.091 -13.977 12.230 694 1HG GLN 88 1HG GLN 88 0.472 -11.998 10.967 695 2HG GLN 88 2HG GLN 88 -0.098 -10.969 12.279 696 1HE2 GLN 88 1HE2 GLN 88 1.865 -13.909 12.348 697 2HE2 GLN 88 2HE2 GLN 88 3.235 -13.188 13.114 698 H GLN 89 H GLN 89 -1.533 -15.420 12.440 699 HA GLN 89 HA GLN 89 -4.162 -15.863 13.673 700 1HB GLN 89 1HB GLN 89 -3.480 -17.242 11.677 701 2HB GLN 89 2HB GLN 89 -2.223 -17.954 12.681 702 1HG GLN 89 1HG GLN 89 -4.061 -19.453 12.650 703 2HG GLN 89 2HG GLN 89 -4.004 -18.712 14.248 704 1HE2 GLN 89 1HE2 GLN 89 -5.970 -18.391 14.979 705 2HE2 GLN 89 2HE2 GLN 89 -7.319 -17.814 14.068 706 H GLN 90 H GLN 90 -0.759 -15.885 14.275 707 HA GLN 90 HA GLN 90 -0.858 -17.469 16.658 708 1HB GLN 90 1HB GLN 90 1.194 -15.849 15.240 709 2HB GLN 90 2HB GLN 90 1.453 -16.161 16.952 710 1HG GLN 90 1HG GLN 90 1.102 -18.211 14.779 711 2HG GLN 90 2HG GLN 90 2.588 -17.824 15.644 712 1HE2 GLN 90 1HE2 GLN 90 0.871 -20.296 15.365 713 2HE2 GLN 90 2HE2 GLN 90 0.634 -20.830 16.990 714 H THR 91 H THR 91 -2.219 -16.687 18.185 715 HA THR 91 HA THR 91 -1.808 -13.909 19.076 716 HB THR 91 HB THR 91 -4.067 -14.096 18.420 717 HG1 THR 91 1HG THR 91 -5.085 -14.340 20.713 718 1HG2 THR 91 1HG2 THR 91 -5.553 -15.899 19.126 719 2HG2 THR 91 2HG2 THR 91 -4.232 -16.653 20.020 720 3HG2 THR 91 3HG2 THR 91 -4.160 -16.547 18.261 721 H GLY 92 H GLY 92 -0.673 -13.725 20.888 722 1HA GLY 92 2HA GLY 92 -1.308 -15.292 23.210 723 2HA GLY 92 3HA GLY 92 0.250 -15.715 22.517 724 H GLY 93 H GLY 93 1.829 -13.948 22.254 725 1HA GLY 93 2HA GLY 93 1.965 -12.402 24.668 726 2HA GLY 93 3HA GLY 93 3.150 -12.417 23.370 727 H VAL 94 H VAL 94 3.023 -10.052 24.181 728 HA VAL 94 HA VAL 94 1.212 -8.631 22.353 729 HB VAL 94 HB VAL 94 1.802 -7.798 25.197 730 1HG1 VAL 94 1HG1 VAL 94 -0.104 -6.114 24.478 731 2HG1 VAL 94 2HG1 VAL 94 1.599 -5.765 24.174 732 3HG1 VAL 94 3HG1 VAL 94 0.581 -6.395 22.878 733 1HG2 VAL 94 1HG2 VAL 94 -0.861 -7.943 25.089 734 2HG2 VAL 94 2HG2 VAL 94 -0.470 -9.183 23.898 735 3HG2 VAL 94 3HG2 VAL 94 0.149 -9.316 25.544 736 H TYR 95 H TYR 95 2.690 -8.012 20.865 737 HA TYR 95 HA TYR 95 4.996 -6.453 21.835 738 1HB TYR 95 1HB TYR 95 4.772 -8.516 19.705 739 2HB TYR 95 2HB TYR 95 5.833 -7.147 19.388 740 HD1 TYR 95 1HD TYR 95 5.147 -9.799 21.913 741 HD2 TYR 95 2HD TYR 95 8.010 -7.144 20.222 742 HE1 TYR 95 1HE TYR 95 6.919 -10.876 23.236 743 HE2 TYR 95 2HE TYR 95 9.789 -8.214 21.540 744 HH TYR 95 HH TYR 95 9.239 -11.136 23.340 Start of MODEL 20 1 1H MET 1 1H MET 1 20.763 -0.236 -3.495 2 HA MET 1 HA MET 1 23.634 0.158 -2.967 3 1HB MET 1 1HB MET 1 22.024 -2.377 -2.957 4 2HB MET 1 2HB MET 1 23.741 -2.413 -3.333 5 1HG MET 1 1HG MET 1 24.353 -1.725 -1.204 6 2HG MET 1 2HG MET 1 22.752 -1.079 -0.849 7 1HE MET 1 1HE MET 1 24.014 -5.438 -1.070 8 2HE MET 1 2HE MET 1 24.828 -4.012 -1.712 9 3HE MET 1 3HE MET 1 24.952 -4.400 0.004 10 H ALA 2 H ALA 2 22.053 1.182 -5.152 11 HA ALA 2 HA ALA 2 22.980 -0.435 -7.421 12 1HB ALA 2 1HB ALA 2 20.587 0.195 -7.349 13 2HB ALA 2 2HB ALA 2 21.062 1.891 -7.444 14 3HB ALA 2 3HB ALA 2 21.422 0.798 -8.780 15 H ASP 3 H ASP 3 24.554 0.250 -8.746 16 HA ASP 3 HA ASP 3 25.875 2.770 -8.093 17 1HB ASP 3 1HB ASP 3 27.753 1.919 -9.386 18 2HB ASP 3 2HB ASP 3 27.228 0.704 -8.224 19 H GLU 4 H GLU 4 24.016 1.270 -10.612 20 HA GLU 4 HA GLU 4 24.725 3.029 -12.721 21 1HB GLU 4 1HB GLU 4 22.488 1.103 -12.233 22 2HB GLU 4 2HB GLU 4 22.369 2.233 -13.574 23 1HG GLU 4 1HG GLU 4 24.588 1.382 -14.365 24 2HG GLU 4 2HG GLU 4 24.469 0.130 -13.131 25 H LYS 5 H LYS 5 23.320 4.636 -13.713 26 HA LYS 5 HA LYS 5 21.520 5.970 -11.808 27 1HB LYS 5 1HB LYS 5 23.749 7.200 -13.421 28 2HB LYS 5 2HB LYS 5 22.418 8.158 -12.785 29 1HG LYS 5 1HG LYS 5 23.042 7.172 -10.508 30 2HG LYS 5 2HG LYS 5 24.549 6.680 -11.284 31 1HD LYS 5 1HD LYS 5 23.519 9.510 -11.319 32 2HD LYS 5 2HD LYS 5 24.612 8.894 -10.078 33 1HE LYS 5 1HE LYS 5 25.299 8.568 -12.969 34 2HE LYS 5 2HE LYS 5 25.567 10.119 -12.174 35 1HZ LYS 5 1HZ LYS 5 27.431 8.337 -12.205 36 2HZ LYS 5 2HZ LYS 5 26.573 7.662 -10.913 37 3HZ LYS 5 3HZ LYS 5 27.163 9.244 -10.802 38 HA PRO 6 HA PRO 6 19.531 5.324 -15.969 39 1HB PRO 6 1HB PRO 6 17.229 4.280 -14.977 40 2HB PRO 6 2HB PRO 6 18.652 3.296 -15.340 41 1HG PRO 6 1HG PRO 6 17.714 4.370 -12.708 42 2HG PRO 6 2HG PRO 6 18.352 2.762 -13.097 43 1HD PRO 6 1HD PRO 6 19.861 4.686 -11.934 44 2HD PRO 6 2HD PRO 6 20.542 3.480 -13.045 45 H LYS 7 H LYS 7 19.365 7.588 -16.183 46 HA LYS 7 HA LYS 7 17.311 8.992 -14.680 47 1HB LYS 7 1HB LYS 7 19.577 9.983 -15.250 48 2HB LYS 7 2HB LYS 7 19.019 10.086 -16.915 49 1HG LYS 7 1HG LYS 7 17.039 11.412 -15.948 50 2HG LYS 7 2HG LYS 7 18.049 11.579 -14.509 51 1HD LYS 7 1HD LYS 7 19.031 12.299 -17.259 52 2HD LYS 7 2HD LYS 7 18.175 13.450 -16.231 53 1HE LYS 7 1HE LYS 7 20.639 11.959 -15.352 54 2HE LYS 7 2HE LYS 7 20.694 13.542 -16.125 55 1HZ LYS 7 1HZ LYS 7 19.932 12.831 -13.430 56 2HZ LYS 7 2HZ LYS 7 18.904 13.949 -14.173 57 3HZ LYS 7 3HZ LYS 7 20.556 14.284 -14.031 58 H GLU 8 H GLU 8 15.845 7.267 -15.843 59 HA GLU 8 HA GLU 8 14.724 8.599 -18.217 60 1HB GLU 8 1HB GLU 8 15.858 6.514 -18.871 61 2HB GLU 8 2HB GLU 8 14.866 5.619 -17.728 62 1HG GLU 8 1HG GLU 8 12.857 6.400 -19.008 63 2HG GLU 8 2HG GLU 8 13.968 7.030 -20.223 64 H GLY 9 H GLY 9 12.833 9.456 -17.672 65 1HA GLY 9 2HA GLY 9 10.489 8.459 -17.163 66 2HA GLY 9 3HA GLY 9 11.220 8.142 -15.596 67 H VAL 10 H VAL 10 8.966 9.926 -16.544 68 HA VAL 10 HA VAL 10 9.949 12.399 -15.274 69 HB VAL 10 HB VAL 10 7.855 12.223 -17.445 70 1HG1 VAL 10 1HG1 VAL 10 8.753 14.372 -15.630 71 2HG1 VAL 10 2HG1 VAL 10 8.520 14.821 -17.321 72 3HG1 VAL 10 3HG1 VAL 10 7.189 14.117 -16.402 73 1HG2 VAL 10 1HG2 VAL 10 9.503 12.343 -18.927 74 2HG2 VAL 10 2HG2 VAL 10 10.083 13.828 -18.174 75 3HG2 VAL 10 3HG2 VAL 10 10.688 12.266 -17.624 76 H LYS 11 H LYS 11 8.904 12.979 -13.488 77 HA LYS 11 HA LYS 11 6.343 11.666 -12.885 78 1HB LYS 11 1HB LYS 11 8.598 12.653 -11.180 79 2HB LYS 11 2HB LYS 11 6.980 12.549 -10.497 80 1HG LYS 11 1HG LYS 11 7.762 10.497 -9.924 81 2HG LYS 11 2HG LYS 11 7.093 10.113 -11.512 82 1HD LYS 11 1HD LYS 11 9.210 9.138 -11.560 83 2HD LYS 11 2HD LYS 11 9.444 10.672 -12.401 84 1HE LYS 11 1HE LYS 11 10.598 11.614 -10.629 85 2HE LYS 11 2HE LYS 11 9.903 10.500 -9.452 86 1HZ LYS 11 1HZ LYS 11 12.268 10.069 -9.965 87 2HZ LYS 11 2HZ LYS 11 11.836 9.701 -11.558 88 3HZ LYS 11 3HZ LYS 11 11.266 8.744 -10.285 89 H THR 12 H THR 12 4.547 12.834 -12.426 90 HA THR 12 HA THR 12 4.796 15.755 -12.240 91 HB THR 12 HB THR 12 4.198 15.209 -14.569 92 HG1 THR 12 1HG THR 12 2.791 16.829 -14.610 93 1HG2 THR 12 1HG2 THR 12 2.672 13.194 -13.449 94 2HG2 THR 12 2HG2 THR 12 2.642 13.703 -15.137 95 3HG2 THR 12 3HG2 THR 12 1.472 14.364 -13.996 96 H GLU 13 H GLU 13 2.832 16.800 -11.386 97 HA GLU 13 HA GLU 13 1.085 15.028 -9.844 98 1HB GLU 13 1HB GLU 13 1.374 16.644 -7.881 99 2HB GLU 13 2HB GLU 13 2.681 15.509 -8.189 100 1HG GLU 13 1HG GLU 13 2.841 18.187 -9.452 101 2HG GLU 13 2HG GLU 13 3.126 18.066 -7.717 102 H ASN 14 H ASN 14 -0.917 15.549 -10.395 103 HA ASN 14 HA ASN 14 -1.521 18.339 -11.093 104 1HB ASN 14 1HB ASN 14 -1.971 16.412 -12.732 105 2HB ASN 14 2HB ASN 14 -3.296 15.971 -11.659 106 1HD2 ASN 14 1HD2 ASN 14 -2.055 18.389 -13.839 107 2HD2 ASN 14 2HD2 ASN 14 -3.550 19.219 -14.085 108 H ASN 15 H ASN 15 -3.070 15.555 -9.485 109 HA ASN 15 HA ASN 15 -4.900 17.279 -8.074 110 1HB ASN 15 1HB ASN 15 -5.308 14.852 -8.914 111 2HB ASN 15 2HB ASN 15 -4.477 14.373 -7.437 112 1HD2 ASN 15 1HD2 ASN 15 -6.021 13.612 -6.164 113 2HD2 ASN 15 2HD2 ASN 15 -7.472 14.447 -5.738 114 H ASP 16 H ASP 16 -2.708 14.763 -6.823 115 HA ASP 16 HA ASP 16 -1.549 16.605 -4.922 116 1HB ASP 16 1HB ASP 16 -3.155 14.241 -3.926 117 2HB ASP 16 2HB ASP 16 -2.226 15.360 -2.933 118 H HIS 17 H HIS 17 -0.281 15.002 -3.218 119 HA HIS 17 HA HIS 17 0.837 12.673 -4.454 120 1HB HIS 17 1HB HIS 17 3.179 13.605 -4.528 121 2HB HIS 17 2HB HIS 17 2.089 14.233 -5.761 122 HD1 HIS 17 1HD HIS 17 4.359 15.289 -3.126 123 HD2 HIS 17 2HD HIS 17 1.088 16.910 -5.109 124 HE1 HIS 17 1HE HIS 17 4.455 17.760 -2.672 125 H ILE 18 H ILE 18 1.100 11.349 -2.793 126 HA ILE 18 HA ILE 18 2.360 12.362 -0.348 127 HB ILE 18 HB ILE 18 0.788 11.375 1.111 128 1HG1 ILE 18 1HG1 ILE 18 -0.459 10.134 -1.350 129 2HG1 ILE 18 2HG1 ILE 18 0.386 9.290 -0.057 130 1HG2 ILE 18 1HG2 ILE 18 -1.138 12.657 0.737 131 2HG2 ILE 18 2HG2 ILE 18 0.148 13.531 -0.093 132 3HG2 ILE 18 3HG2 ILE 18 -0.982 12.540 -1.016 133 1HD1 ILE 18 1HD1 ILE 18 -1.520 10.471 1.386 134 2HD1 ILE 18 2HD1 ILE 18 -2.366 10.342 -0.156 135 3HD1 ILE 18 3HD1 ILE 18 -1.725 8.895 0.621 136 H ASN 19 H ASN 19 2.717 10.346 1.184 137 HA ASN 19 HA ASN 19 3.798 8.172 -0.486 138 1HB ASN 19 1HB ASN 19 5.321 9.889 0.930 139 2HB ASN 19 2HB ASN 19 5.021 8.672 2.168 140 1HD2 ASN 19 1HD2 ASN 19 5.779 6.568 1.858 141 2HD2 ASN 19 2HD2 ASN 19 7.021 6.211 0.711 142 H LEU 20 H LEU 20 3.566 6.070 0.228 143 HA LEU 20 HA LEU 20 2.174 5.604 2.755 144 1HB LEU 20 1HB LEU 20 1.150 4.926 0.028 145 2HB LEU 20 2HB LEU 20 0.733 3.911 1.407 146 HG LEU 20 HG LEU 20 0.130 6.859 1.193 147 1HD1 LEU 20 1HD1 LEU 20 -1.075 5.256 -0.404 148 2HD1 LEU 20 2HD1 LEU 20 -2.059 6.328 0.593 149 3HD1 LEU 20 3HD1 LEU 20 -1.871 4.632 1.041 150 1HD2 LEU 20 1HD2 LEU 20 -0.110 4.852 3.328 151 2HD2 LEU 20 2HD2 LEU 20 -1.545 5.842 3.059 152 3HD2 LEU 20 3HD2 LEU 20 0.001 6.609 3.425 153 H LYS 21 H LYS 21 2.460 3.532 3.614 154 HA LYS 21 HA LYS 21 4.212 1.702 2.143 155 1HB LYS 21 1HB LYS 21 4.721 2.671 4.962 156 2HB LYS 21 2HB LYS 21 5.603 1.373 4.168 157 1HG LYS 21 1HG LYS 21 6.384 2.965 2.468 158 2HG LYS 21 2HG LYS 21 5.537 4.261 3.317 159 1HD LYS 21 1HD LYS 21 7.899 4.254 3.903 160 2HD LYS 21 2HD LYS 21 6.912 3.841 5.307 161 1HE LYS 21 1HE LYS 21 7.463 1.539 5.122 162 2HE LYS 21 2HE LYS 21 8.184 1.771 3.531 163 1HZ LYS 21 1HZ LYS 21 9.235 2.821 6.102 164 2HZ LYS 21 2HZ LYS 21 9.908 3.135 4.582 165 3HZ LYS 21 3HZ LYS 21 9.894 1.557 5.191 166 H VAL 22 H VAL 22 3.021 -0.085 1.998 167 HA VAL 22 HA VAL 22 1.217 -0.835 4.159 168 HB VAL 22 HB VAL 22 0.269 -1.025 1.974 169 1HG1 VAL 22 1HG1 VAL 22 1.591 -1.379 0.225 170 2HG1 VAL 22 2HG1 VAL 22 2.899 -1.943 1.267 171 3HG1 VAL 22 3HG1 VAL 22 1.677 -3.077 0.691 172 1HG2 VAL 22 1HG2 VAL 22 -0.175 -2.837 3.673 173 2HG2 VAL 22 2HG2 VAL 22 -0.503 -3.267 1.995 174 3HG2 VAL 22 3HG2 VAL 22 0.969 -3.840 2.780 175 H ALA 23 H ALA 23 2.313 -1.739 5.817 176 HA ALA 23 HA ALA 23 4.010 -4.067 5.190 177 1HB ALA 23 1HB ALA 23 5.689 -3.048 6.222 178 2HB ALA 23 2HB ALA 23 4.648 -1.702 6.687 179 3HB ALA 23 3HB ALA 23 4.761 -3.127 7.720 180 H GLY 24 H GLY 24 3.620 -5.928 6.283 181 1HA GLY 24 2HA GLY 24 1.289 -5.911 8.076 182 2HA GLY 24 3HA GLY 24 1.885 -7.305 7.188 183 H GLN 25 H GLN 25 1.310 -6.839 10.092 184 HA GLN 25 HA GLN 25 3.661 -6.698 11.588 185 1HB GLN 25 1HB GLN 25 1.577 -6.508 12.722 186 2HB GLN 25 2HB GLN 25 1.029 -8.067 12.121 187 1HG GLN 25 1HG GLN 25 2.318 -9.251 13.615 188 2HG GLN 25 2HG GLN 25 3.457 -7.926 13.843 189 1HE2 GLN 25 1HE2 GLN 25 2.729 -6.077 15.066 190 2HE2 GLN 25 2HE2 GLN 25 1.549 -6.288 16.309 191 H ASP 26 H ASP 26 2.461 -9.198 9.574 192 HA ASP 26 HA ASP 26 3.922 -11.339 10.828 193 1HB ASP 26 1HB ASP 26 2.397 -11.100 8.238 194 2HB ASP 26 2HB ASP 26 3.297 -12.553 8.663 195 H GLY 27 H GLY 27 4.131 -10.206 7.457 196 1HA GLY 27 2HA GLY 27 6.937 -9.651 7.637 197 2HA GLY 27 3HA GLY 27 6.617 -11.195 6.861 198 H SER 28 H SER 28 5.087 -7.978 6.713 199 HA SER 28 HA SER 28 5.543 -8.002 3.805 200 1HB SER 28 1HB SER 28 2.994 -7.531 5.310 201 2HB SER 28 2HB SER 28 3.260 -6.701 3.777 202 HG SER 28 HG SER 28 2.227 -8.939 3.862 203 H VAL 29 H VAL 29 5.788 -5.963 2.816 204 HA VAL 29 HA VAL 29 5.562 -3.486 4.091 205 HB VAL 29 HB VAL 29 7.325 -4.129 5.575 206 1HG1 VAL 29 1HG1 VAL 29 9.580 -4.491 3.934 207 2HG1 VAL 29 2HG1 VAL 29 8.792 -5.682 4.971 208 3HG1 VAL 29 3HG1 VAL 29 8.312 -5.528 3.280 209 1HG2 VAL 29 1HG2 VAL 29 7.382 -1.878 4.098 210 2HG2 VAL 29 2HG2 VAL 29 8.527 -2.225 5.394 211 3HG2 VAL 29 3HG2 VAL 29 8.972 -2.540 3.717 212 H VAL 30 H VAL 30 5.084 -2.390 2.303 213 HA VAL 30 HA VAL 30 7.072 -2.233 0.177 214 HB VAL 30 HB VAL 30 4.179 -2.835 -0.447 215 1HG1 VAL 30 1HG1 VAL 30 5.265 -1.438 -2.115 216 2HG1 VAL 30 2HG1 VAL 30 6.602 -2.584 -2.227 217 3HG1 VAL 30 3HG1 VAL 30 4.986 -3.057 -2.753 218 1HG2 VAL 30 1HG2 VAL 30 4.973 -5.012 -1.233 219 2HG2 VAL 30 2HG2 VAL 30 6.599 -4.624 -0.672 220 3HG2 VAL 30 3HG2 VAL 30 5.284 -4.799 0.490 221 H GLN 31 H GLN 31 7.119 -0.278 -0.859 222 HA GLN 31 HA GLN 31 5.361 1.788 0.254 223 1HB GLN 31 1HB GLN 31 7.888 2.212 -1.337 224 2HB GLN 31 2HB GLN 31 7.036 3.386 -0.342 225 1HG GLN 31 1HG GLN 31 7.546 1.602 1.545 226 2HG GLN 31 2HG GLN 31 8.865 1.195 0.450 227 1HE2 GLN 31 1HE2 GLN 31 10.620 2.026 1.358 228 2HE2 GLN 31 2HE2 GLN 31 10.805 3.665 1.871 229 H PHE 32 H PHE 32 4.175 3.164 -1.030 230 HA PHE 32 HA PHE 32 4.219 2.697 -3.926 231 1HB PHE 32 1HB PHE 32 2.133 1.887 -2.135 232 2HB PHE 32 2HB PHE 32 1.519 3.154 -3.192 233 HD1 PHE 32 1HD PHE 32 2.880 -0.241 -3.040 234 HD2 PHE 32 2HD PHE 32 1.272 2.793 -5.555 235 HE1 PHE 32 1HE PHE 32 2.584 -1.893 -4.839 236 HE2 PHE 32 2HE PHE 32 0.972 1.146 -7.357 237 HZ PHE 32 HZ PHE 32 1.628 -1.201 -7.000 238 H LYS 33 H LYS 33 3.288 4.419 -5.183 239 HA LYS 33 HA LYS 33 3.396 7.001 -3.774 240 1HB LYS 33 1HB LYS 33 3.810 7.903 -6.133 241 2HB LYS 33 2HB LYS 33 5.111 6.990 -5.381 242 1HG LYS 33 1HG LYS 33 4.699 5.100 -6.720 243 2HG LYS 33 2HG LYS 33 3.134 5.721 -7.250 244 1HD LYS 33 1HD LYS 33 4.305 7.567 -8.410 245 2HD LYS 33 2HD LYS 33 5.847 6.845 -7.945 246 1HE LYS 33 1HE LYS 33 3.851 5.159 -9.374 247 2HE LYS 33 2HE LYS 33 4.754 6.360 -10.295 248 1HZ LYS 33 1HZ LYS 33 6.598 5.040 -8.711 249 2HZ LYS 33 2HZ LYS 33 6.409 4.913 -10.387 250 3HZ LYS 33 3HZ LYS 33 5.607 3.833 -9.361 251 H ILE 34 H ILE 34 1.472 7.870 -3.410 252 HA ILE 34 HA ILE 34 -0.599 7.614 -5.489 253 HB ILE 34 HB ILE 34 -0.831 7.215 -2.537 254 1HG1 ILE 34 1HG1 ILE 34 -2.562 5.524 -3.493 255 2HG1 ILE 34 2HG1 ILE 34 -1.787 5.852 -5.039 256 1HG2 ILE 34 1HG2 ILE 34 -2.941 8.380 -4.329 257 2HG2 ILE 34 2HG2 ILE 34 -3.337 7.506 -2.851 258 3HG2 ILE 34 3HG2 ILE 34 -2.369 8.978 -2.772 259 1HD1 ILE 34 1HD1 ILE 34 0.148 5.277 -2.970 260 2HD1 ILE 34 2HD1 ILE 34 -1.020 3.971 -3.173 261 3HD1 ILE 34 3HD1 ILE 34 -0.076 4.532 -4.552 262 H LYS 35 H LYS 35 -1.793 9.419 -5.950 263 HA LYS 35 HA LYS 35 -0.656 11.940 -5.369 264 1HB LYS 35 1HB LYS 35 -3.314 11.176 -6.583 265 2HB LYS 35 2HB LYS 35 -2.736 12.833 -6.475 266 1HG LYS 35 1HG LYS 35 -0.725 12.119 -7.789 267 2HG LYS 35 2HG LYS 35 -1.530 10.568 -8.041 268 1HD LYS 35 1HD LYS 35 -2.635 13.261 -8.839 269 2HD LYS 35 2HD LYS 35 -1.861 12.110 -9.931 270 1HE LYS 35 1HE LYS 35 -3.639 10.449 -9.115 271 2HE LYS 35 2HE LYS 35 -4.480 11.865 -8.485 272 1HZ LYS 35 1HZ LYS 35 -4.532 12.793 -10.704 273 2HZ LYS 35 2HZ LYS 35 -5.250 11.262 -10.702 274 3HZ LYS 35 3HZ LYS 35 -3.688 11.462 -11.319 275 H ARG 36 H ARG 36 -4.055 11.119 -4.747 276 HA ARG 36 HA ARG 36 -3.786 12.360 -2.089 277 1HB ARG 36 1HB ARG 36 -5.048 13.640 -4.018 278 2HB ARG 36 2HB ARG 36 -6.356 12.542 -3.603 279 1HG ARG 36 1HG ARG 36 -6.151 13.329 -1.237 280 2HG ARG 36 2HG ARG 36 -5.020 14.554 -1.814 281 1HD ARG 36 1HD ARG 36 -7.031 14.975 -3.530 282 2HD ARG 36 2HD ARG 36 -7.951 14.352 -2.161 283 HE ARG 36 HE ARG 36 -6.319 16.241 -1.070 284 1HH1 ARG 36 2HH1 ARG 36 -8.649 16.214 -3.657 285 2HH1 ARG 36 1HH1 ARG 36 -9.098 17.873 -3.445 286 1HH2 ARG 36 2HH2 ARG 36 -6.903 18.428 -0.781 287 2HH2 ARG 36 1HH2 ARG 36 -8.104 19.132 -1.809 288 H HIS 37 H HIS 37 -6.241 10.551 -3.944 289 HA HIS 37 HA HIS 37 -6.287 8.532 -1.821 290 1HB HIS 37 1HB HIS 37 -8.817 8.534 -1.979 291 2HB HIS 37 2HB HIS 37 -8.101 9.927 -1.173 292 HD1 HIS 37 1HD HIS 37 -8.102 12.192 -2.529 293 HD2 HIS 37 2HD HIS 37 -10.297 9.104 -4.234 294 HE1 HIS 37 1HE HIS 37 -9.564 13.283 -4.259 295 H THR 38 H THR 38 -5.619 6.798 -2.928 296 HA THR 38 HA THR 38 -6.732 6.299 -5.598 297 HB THR 38 HB THR 38 -4.130 6.113 -4.707 298 HG1 THR 38 1HG THR 38 -5.170 6.127 -6.917 299 1HG2 THR 38 1HG2 THR 38 -5.151 3.294 -5.044 300 2HG2 THR 38 2HG2 THR 38 -4.796 4.026 -3.479 301 3HG2 THR 38 3HG2 THR 38 -3.507 3.804 -4.661 302 HA PRO 39 HA PRO 39 -9.278 3.011 -4.171 303 1HB PRO 39 1HB PRO 39 -9.336 1.452 -6.393 304 2HB PRO 39 2HB PRO 39 -10.197 2.992 -6.277 305 1HG PRO 39 1HG PRO 39 -7.563 2.387 -7.564 306 2HG PRO 39 2HG PRO 39 -8.894 3.398 -8.159 307 1HD PRO 39 1HD PRO 39 -6.679 4.439 -7.001 308 2HD PRO 39 2HD PRO 39 -8.278 5.196 -6.855 309 H LEU 40 H LEU 40 -8.784 1.399 -2.835 310 HA LEU 40 HA LEU 40 -6.317 0.214 -2.541 311 1HB LEU 40 1HB LEU 40 -9.040 -0.876 -1.858 312 2HB LEU 40 2HB LEU 40 -7.527 -1.595 -1.312 313 HG LEU 40 HG LEU 40 -7.331 1.047 -0.507 314 1HD1 LEU 40 1HD1 LEU 40 -9.580 1.009 0.898 315 2HD1 LEU 40 2HD1 LEU 40 -10.160 0.161 -0.535 316 3HD1 LEU 40 3HD1 LEU 40 -9.475 1.779 -0.685 317 1HD2 LEU 40 1HD2 LEU 40 -8.464 -0.986 1.345 318 2HD2 LEU 40 2HD2 LEU 40 -7.126 0.139 1.581 319 3HD2 LEU 40 3HD2 LEU 40 -6.900 -1.309 0.598 320 H SER 41 H SER 41 -8.842 -0.563 -4.785 321 HA SER 41 HA SER 41 -8.343 -3.181 -5.447 322 1HB SER 41 1HB SER 41 -8.843 -1.067 -7.541 323 2HB SER 41 2HB SER 41 -9.364 -2.751 -7.548 324 HG SER 41 HG SER 41 -10.926 -2.297 -6.126 325 H LYS 42 H LYS 42 -6.755 -0.316 -6.845 326 HA LYS 42 HA LYS 42 -5.022 -1.556 -8.588 327 1HB LYS 42 1HB LYS 42 -3.681 0.419 -8.508 328 2HB LYS 42 2HB LYS 42 -5.355 0.917 -8.301 329 1HG LYS 42 1HG LYS 42 -4.515 2.129 -6.612 330 2HG LYS 42 2HG LYS 42 -4.623 0.607 -5.725 331 1HD LYS 42 1HD LYS 42 -2.447 1.168 -5.288 332 2HD LYS 42 2HD LYS 42 -2.228 0.229 -6.766 333 1HE LYS 42 1HE LYS 42 -2.681 3.178 -6.931 334 2HE LYS 42 2HE LYS 42 -1.084 2.562 -6.508 335 1HZ LYS 42 1HZ LYS 42 -2.556 2.334 -9.032 336 2HZ LYS 42 2HZ LYS 42 -1.501 1.082 -8.607 337 3HZ LYS 42 3HZ LYS 42 -0.917 2.662 -8.766 338 H LEU 43 H LEU 43 -4.788 -1.256 -5.106 339 HA LEU 43 HA LEU 43 -2.082 -2.158 -4.927 340 1HB LEU 43 1HB LEU 43 -3.625 -0.845 -3.229 341 2HB LEU 43 2HB LEU 43 -3.983 -2.474 -2.661 342 HG LEU 43 HG LEU 43 -2.266 -1.599 -1.275 343 1HD1 LEU 43 1HD1 LEU 43 -0.630 -3.249 -3.136 344 2HD1 LEU 43 2HD1 LEU 43 -2.059 -3.965 -2.391 345 3HD1 LEU 43 3HD1 LEU 43 -0.764 -3.323 -1.379 346 1HD2 LEU 43 1HD2 LEU 43 -0.105 -0.820 -2.231 347 2HD2 LEU 43 2HD2 LEU 43 -1.474 0.222 -2.619 348 3HD2 LEU 43 3HD2 LEU 43 -0.839 -0.889 -3.833 349 H MET 44 H MET 44 -5.214 -3.697 -4.196 350 HA MET 44 HA MET 44 -4.306 -6.211 -3.505 351 1HB MET 44 1HB MET 44 -6.819 -5.503 -5.029 352 2HB MET 44 2HB MET 44 -6.523 -7.041 -4.231 353 1HG MET 44 1HG MET 44 -6.302 -4.558 -2.620 354 2HG MET 44 2HG MET 44 -7.907 -5.121 -3.082 355 1HE MET 44 1HE MET 44 -6.808 -5.725 0.647 356 2HE MET 44 2HE MET 44 -7.488 -4.579 -0.508 357 3HE MET 44 3HE MET 44 -8.458 -5.939 0.060 358 H LYS 45 H LYS 45 -5.190 -5.042 -6.748 359 HA LYS 45 HA LYS 45 -4.761 -7.336 -8.209 360 1HB LYS 45 1HB LYS 45 -5.579 -5.015 -8.977 361 2HB LYS 45 2HB LYS 45 -3.878 -4.641 -9.216 362 1HG LYS 45 1HG LYS 45 -4.537 -5.329 -11.313 363 2HG LYS 45 2HG LYS 45 -3.849 -6.806 -10.633 364 1HD LYS 45 1HD LYS 45 -5.876 -7.836 -10.466 365 2HD LYS 45 2HD LYS 45 -6.746 -6.322 -10.205 366 1HE LYS 45 1HE LYS 45 -7.447 -6.875 -12.322 367 2HE LYS 45 2HE LYS 45 -6.061 -5.847 -12.683 368 1HZ LYS 45 1HZ LYS 45 -5.147 -7.522 -13.776 369 2HZ LYS 45 2HZ LYS 45 -6.481 -8.505 -13.437 370 3HZ LYS 45 3HZ LYS 45 -5.158 -8.481 -12.382 371 H ALA 46 H ALA 46 -2.355 -4.772 -7.603 372 HA ALA 46 HA ALA 46 -0.180 -6.093 -8.767 373 1HB ALA 46 1HB ALA 46 -0.307 -3.666 -8.126 374 2HB ALA 46 2HB ALA 46 0.004 -4.165 -6.463 375 3HB ALA 46 3HB ALA 46 1.205 -4.476 -7.715 376 H TYR 47 H TYR 47 -1.244 -5.988 -5.376 377 HA TYR 47 HA TYR 47 0.777 -7.429 -4.188 378 1HB TYR 47 1HB TYR 47 -1.569 -6.398 -3.318 379 2HB TYR 47 2HB TYR 47 -1.956 -8.115 -3.281 380 HD1 TYR 47 1HD TYR 47 -1.527 -5.949 -0.996 381 HD2 TYR 47 2HD TYR 47 0.818 -9.128 -2.577 382 HE1 TYR 47 1HE TYR 47 -0.366 -6.159 1.163 383 HE2 TYR 47 2HE TYR 47 1.984 -9.348 -0.423 384 HH TYR 47 HH TYR 47 0.900 -8.132 2.387 385 H CYS 48 H CYS 48 -2.276 -8.787 -5.443 386 HA CYS 48 HA CYS 48 -1.760 -11.458 -5.042 387 1HB CYS 48 1HB CYS 48 -3.927 -10.725 -5.799 388 2HB CYS 48 2HB CYS 48 -3.249 -10.125 -7.308 389 HG CYS 48 HG CYS 48 -3.613 -12.282 -8.638 390 H GLU 49 H GLU 49 -0.819 -9.456 -7.813 391 HA GLU 49 HA GLU 49 0.246 -11.371 -9.478 392 1HB GLU 49 1HB GLU 49 0.027 -8.888 -9.916 393 2HB GLU 49 2HB GLU 49 1.515 -8.674 -9.005 394 1HG GLU 49 1HG GLU 49 2.441 -10.450 -10.690 395 2HG GLU 49 2HG GLU 49 1.088 -9.904 -11.679 396 H ARG 50 H ARG 50 1.706 -9.873 -6.640 397 HA ARG 50 HA ARG 50 4.207 -11.284 -7.022 398 1HB ARG 50 1HB ARG 50 4.401 -9.089 -6.112 399 2HB ARG 50 2HB ARG 50 3.192 -9.422 -4.879 400 1HG ARG 50 1HG ARG 50 5.479 -9.378 -3.985 401 2HG ARG 50 2HG ARG 50 4.692 -10.941 -3.758 402 1HD ARG 50 1HD ARG 50 7.071 -11.071 -4.516 403 2HD ARG 50 2HD ARG 50 5.920 -11.904 -5.560 404 HE ARG 50 HE ARG 50 6.525 -10.498 -7.247 405 1HH1 ARG 50 2HH1 ARG 50 7.384 -9.022 -4.213 406 2HH1 ARG 50 1HH1 ARG 50 8.186 -7.673 -4.947 407 1HH2 ARG 50 2HH2 ARG 50 7.578 -8.727 -8.226 408 2HH2 ARG 50 1HH2 ARG 50 8.295 -7.506 -7.230 409 H GLN 51 H GLN 51 1.790 -11.158 -4.397 410 HA GLN 51 HA GLN 51 2.286 -14.016 -3.924 411 1HB GLN 51 1HB GLN 51 2.508 -11.752 -2.016 412 2HB GLN 51 2HB GLN 51 1.754 -13.224 -1.418 413 1HG GLN 51 1HG GLN 51 4.471 -13.088 -2.703 414 2HG GLN 51 2HG GLN 51 4.174 -13.102 -0.966 415 1HE2 GLN 51 1HE2 GLN 51 5.694 -15.008 -1.411 416 2HE2 GLN 51 2HE2 GLN 51 4.927 -16.540 -1.636 417 H GLY 52 H GLY 52 0.312 -14.127 -5.271 418 1HA GLY 52 2HA GLY 52 -2.151 -13.168 -4.082 419 2HA GLY 52 3HA GLY 52 -1.996 -14.077 -5.578 420 H LEU 53 H LEU 53 -1.630 -14.478 -2.061 421 HA LEU 53 HA LEU 53 -2.575 -17.249 -2.370 422 1HB LEU 53 1HB LEU 53 -1.638 -17.379 0.057 423 2HB LEU 53 2HB LEU 53 -0.549 -17.468 -1.326 424 HG LEU 53 HG LEU 53 -0.077 -15.028 -0.997 425 1HD1 LEU 53 1HD1 LEU 53 -1.952 -15.489 1.260 426 2HD1 LEU 53 2HD1 LEU 53 -1.743 -14.073 0.230 427 3HD1 LEU 53 3HD1 LEU 53 -0.585 -14.405 1.518 428 1HD2 LEU 53 1HD2 LEU 53 0.905 -15.813 1.504 429 2HD2 LEU 53 2HD2 LEU 53 1.731 -15.903 -0.052 430 3HD2 LEU 53 3HD2 LEU 53 0.811 -17.287 0.540 431 H SER 54 H SER 54 -3.305 -14.165 -1.060 432 HA SER 54 HA SER 54 -5.892 -15.069 -0.194 433 1HB SER 54 1HB SER 54 -3.781 -14.302 1.795 434 2HB SER 54 2HB SER 54 -5.474 -13.940 2.131 435 HG SER 54 HG SER 54 -5.898 -16.194 1.783 436 H MET 55 H MET 55 -6.361 -13.559 -1.912 437 HA MET 55 HA MET 55 -5.786 -10.755 -1.447 438 1HB MET 55 1HB MET 55 -6.936 -10.383 -3.579 439 2HB MET 55 2HB MET 55 -5.702 -11.626 -3.730 440 1HG MET 55 1HG MET 55 -7.498 -13.336 -3.484 441 2HG MET 55 2HG MET 55 -8.675 -12.026 -3.548 442 1HE MET 55 1HE MET 55 -9.778 -13.449 -5.981 443 2HE MET 55 2HE MET 55 -8.518 -14.227 -6.939 444 3HE MET 55 3HE MET 55 -8.623 -14.533 -5.205 445 H ARG 56 H ARG 56 -8.330 -13.002 -0.860 446 HA ARG 56 HA ARG 56 -10.253 -10.849 -0.351 447 1HB ARG 56 1HB ARG 56 -11.908 -12.680 -0.128 448 2HB ARG 56 2HB ARG 56 -11.105 -12.672 -1.692 449 1HG ARG 56 1HG ARG 56 -9.821 -14.561 -1.168 450 2HG ARG 56 2HG ARG 56 -10.171 -14.422 0.556 451 1HD ARG 56 1HD ARG 56 -11.460 -16.234 -0.352 452 2HD ARG 56 2HD ARG 56 -12.550 -14.911 0.060 453 HE ARG 56 HE ARG 56 -11.791 -14.684 -2.638 454 1HH1 ARG 56 2HH1 ARG 56 -13.718 -16.687 -0.541 455 2HH1 ARG 56 1HH1 ARG 56 -14.825 -17.154 -1.790 456 1HH2 ARG 56 2HH2 ARG 56 -13.241 -15.293 -4.290 457 2HH2 ARG 56 1HH2 ARG 56 -14.552 -16.362 -3.922 458 H GLN 57 H GLN 57 -8.194 -13.102 1.246 459 HA GLN 57 HA GLN 57 -9.578 -12.892 3.788 460 1HB GLN 57 1HB GLN 57 -8.172 -14.908 2.772 461 2HB GLN 57 2HB GLN 57 -6.850 -14.070 3.575 462 1HG GLN 57 1HG GLN 57 -7.775 -15.798 4.998 463 2HG GLN 57 2HG GLN 57 -8.041 -14.201 5.695 464 1HE2 GLN 57 1HE2 GLN 57 -9.809 -14.638 6.899 465 2HE2 GLN 57 2HE2 GLN 57 -11.330 -15.133 6.246 466 H ILE 58 H ILE 58 -6.744 -11.585 2.197 467 HA ILE 58 HA ILE 58 -5.799 -10.271 4.599 468 HB ILE 58 HB ILE 58 -4.844 -10.061 1.741 469 1HG1 ILE 58 1HG1 ILE 58 -3.713 -11.542 4.126 470 2HG1 ILE 58 2HG1 ILE 58 -4.505 -12.280 2.738 471 1HG2 ILE 58 1HG2 ILE 58 -2.853 -8.981 2.705 472 2HG2 ILE 58 2HG2 ILE 58 -4.319 -8.036 2.957 473 3HG2 ILE 58 3HG2 ILE 58 -3.639 -8.978 4.283 474 1HD1 ILE 58 1HD1 ILE 58 -2.196 -12.554 2.407 475 2HD1 ILE 58 2HD1 ILE 58 -2.687 -11.252 1.323 476 3HD1 ILE 58 3HD1 ILE 58 -1.857 -10.876 2.833 477 H ARG 59 H ARG 59 -6.326 -8.287 5.243 478 HA ARG 59 HA ARG 59 -7.494 -6.426 3.289 479 1HB ARG 59 1HB ARG 59 -8.512 -6.765 6.112 480 2HB ARG 59 2HB ARG 59 -9.190 -5.742 4.853 481 1HG ARG 59 1HG ARG 59 -9.136 -8.751 4.883 482 2HG ARG 59 2HG ARG 59 -10.543 -7.715 5.131 483 1HD ARG 59 1HD ARG 59 -9.374 -6.909 2.703 484 2HD ARG 59 2HD ARG 59 -9.401 -8.672 2.681 485 HE ARG 59 HE ARG 59 -11.688 -8.608 2.533 486 1HH1 ARG 59 2HH1 ARG 59 -10.498 -5.462 3.431 487 2HH1 ARG 59 1HH1 ARG 59 -12.033 -4.682 3.235 488 1HH2 ARG 59 2HH2 ARG 59 -13.714 -7.592 2.271 489 2HH2 ARG 59 1HH2 ARG 59 -13.861 -5.894 2.576 490 H PHE 60 H PHE 60 -7.736 -4.169 4.484 491 HA PHE 60 HA PHE 60 -5.071 -3.581 5.556 492 1HB PHE 60 1HB PHE 60 -7.157 -1.851 4.228 493 2HB PHE 60 2HB PHE 60 -5.728 -1.185 5.012 494 HD1 PHE 60 1HD PHE 60 -6.748 -3.622 2.394 495 HD2 PHE 60 2HD PHE 60 -3.768 -0.933 3.811 496 HE1 PHE 60 1HE PHE 60 -5.461 -3.963 0.325 497 HE2 PHE 60 2HE PHE 60 -2.477 -1.268 1.744 498 HZ PHE 60 HZ PHE 60 -3.323 -2.784 -0.003 499 H ARG 61 H ARG 61 -4.776 -2.371 7.429 500 HA ARG 61 HA ARG 61 -7.087 -1.579 8.997 501 1HB ARG 61 1HB ARG 61 -6.316 -4.093 9.411 502 2HB ARG 61 2HB ARG 61 -5.130 -3.300 10.440 503 1HG ARG 61 1HG ARG 61 -6.694 -2.599 11.943 504 2HG ARG 61 2HG ARG 61 -7.980 -2.524 10.737 505 1HD ARG 61 1HD ARG 61 -6.778 -5.049 11.868 506 2HD ARG 61 2HD ARG 61 -8.322 -4.346 12.350 507 HE ARG 61 HE ARG 61 -8.255 -4.791 9.554 508 1HH1 ARG 61 2HH1 ARG 61 -8.566 -6.453 12.597 509 2HH1 ARG 61 1HH1 ARG 61 -9.488 -7.763 11.937 510 1HH2 ARG 61 2HH2 ARG 61 -9.468 -6.510 8.672 511 2HH2 ARG 61 1HH2 ARG 61 -10.000 -7.795 9.704 512 H PHE 62 H PHE 62 -6.657 0.082 10.374 513 HA PHE 62 HA PHE 62 -3.851 0.966 10.535 514 1HB PHE 62 1HB PHE 62 -5.121 2.494 9.154 515 2HB PHE 62 2HB PHE 62 -6.374 2.624 10.384 516 HD1 PHE 62 1HD PHE 62 -6.381 4.570 11.581 517 HD2 PHE 62 2HD PHE 62 -2.666 3.030 10.186 518 HE1 PHE 62 1HE PHE 62 -5.214 6.500 12.566 519 HE2 PHE 62 2HE PHE 62 -1.494 4.956 11.170 520 HZ PHE 62 HZ PHE 62 -2.768 6.694 12.362 521 H ASP 63 H ASP 63 -3.157 1.960 12.471 522 HA ASP 63 HA ASP 63 -4.320 0.827 14.828 523 1HB ASP 63 1HB ASP 63 -1.810 1.430 14.253 524 2HB ASP 63 2HB ASP 63 -2.250 2.976 14.974 525 H GLY 64 H GLY 64 -6.382 2.154 13.974 526 1HA GLY 64 2HA GLY 64 -6.945 4.033 16.017 527 2HA GLY 64 3HA GLY 64 -6.643 4.875 14.504 528 H GLN 65 H GLN 65 -7.763 2.921 12.765 529 HA GLN 65 HA GLN 65 -10.489 2.466 13.585 530 1HB GLN 65 1HB GLN 65 -9.737 4.704 11.767 531 2HB GLN 65 2HB GLN 65 -11.193 3.792 11.394 532 1HG GLN 65 1HG GLN 65 -10.602 5.275 13.944 533 2HG GLN 65 2HG GLN 65 -11.756 5.734 12.693 534 1HE2 GLN 65 1HE2 GLN 65 -11.144 3.741 15.427 535 2HE2 GLN 65 2HE2 GLN 65 -12.723 3.053 15.554 536 HA PRO 66 HA PRO 66 -10.279 -0.762 10.624 537 1HB PRO 66 1HB PRO 66 -12.836 -0.890 9.722 538 2HB PRO 66 2HB PRO 66 -12.360 -1.422 11.339 539 1HG PRO 66 1HG PRO 66 -13.616 1.159 10.488 540 2HG PRO 66 2HG PRO 66 -13.991 0.141 11.891 541 1HD PRO 66 1HD PRO 66 -12.476 2.378 12.077 542 2HD PRO 66 2HD PRO 66 -12.222 0.963 13.118 543 H ILE 67 H ILE 67 -10.563 -1.327 8.341 544 HA ILE 67 HA ILE 67 -10.945 0.953 6.541 545 HB ILE 67 HB ILE 67 -8.571 -0.899 6.320 546 1HG1 ILE 67 1HG1 ILE 67 -8.695 1.977 7.254 547 2HG1 ILE 67 2HG1 ILE 67 -8.339 0.581 8.265 548 1HG2 ILE 67 1HG2 ILE 67 -9.850 0.782 4.450 549 2HG2 ILE 67 2HG2 ILE 67 -8.322 1.550 4.879 550 3HG2 ILE 67 3HG2 ILE 67 -8.336 -0.102 4.263 551 1HD1 ILE 67 1HD1 ILE 67 -6.664 1.649 6.007 552 2HD1 ILE 67 2HD1 ILE 67 -6.300 1.715 7.731 553 3HD1 ILE 67 3HD1 ILE 67 -6.325 0.163 6.895 554 H ASN 68 H ASN 68 -12.175 0.442 4.852 555 HA ASN 68 HA ASN 68 -12.551 -2.411 4.224 556 1HB ASN 68 1HB ASN 68 -14.463 -0.137 3.656 557 2HB ASN 68 2HB ASN 68 -14.776 -1.858 3.448 558 1HD2 ASN 68 1HD2 ASN 68 -15.348 -3.081 5.180 559 2HD2 ASN 68 2HD2 ASN 68 -15.650 -2.432 6.752 560 H GLU 69 H GLU 69 -13.784 -2.250 1.805 561 HA GLU 69 HA GLU 69 -11.564 -1.577 0.078 562 1HB GLU 69 1HB GLU 69 -12.720 -2.768 -1.628 563 2HB GLU 69 2HB GLU 69 -12.929 -3.683 -0.142 564 1HG GLU 69 1HG GLU 69 -15.055 -3.745 -0.931 565 2HG GLU 69 2HG GLU 69 -15.140 -2.265 0.022 566 H THR 70 H THR 70 -14.599 -0.218 0.992 567 HA THR 70 HA THR 70 -14.611 1.625 -1.278 568 HB THR 70 HB THR 70 -16.751 0.585 -0.605 569 HG1 THR 70 1HG THR 70 -17.565 2.385 -1.342 570 1HG2 THR 70 1HG2 THR 70 -15.894 1.112 1.979 571 2HG2 THR 70 2HG2 THR 70 -17.494 0.543 1.504 572 3HG2 THR 70 3HG2 THR 70 -17.199 2.268 1.719 573 H ASP 71 H ASP 71 -12.568 1.729 0.854 574 HA ASP 71 HA ASP 71 -13.112 4.456 1.833 575 1HB ASP 71 1HB ASP 71 -11.749 2.137 3.172 576 2HB ASP 71 2HB ASP 71 -11.366 3.792 3.640 577 H THR 72 H THR 72 -10.838 5.450 2.535 578 HA THR 72 HA THR 72 -8.734 4.807 0.634 579 HB THR 72 HB THR 72 -8.682 7.428 0.166 580 HG1 THR 72 1HG THR 72 -10.520 8.383 0.575 581 1HG2 THR 72 1HG2 THR 72 -9.658 5.109 -1.229 582 2HG2 THR 72 2HG2 THR 72 -8.834 6.531 -1.869 583 3HG2 THR 72 3HG2 THR 72 -10.589 6.534 -1.691 584 HA PRO 73 HA PRO 73 -6.059 6.190 3.827 585 1HB PRO 73 1HB PRO 73 -4.008 7.286 2.426 586 2HB PRO 73 2HB PRO 73 -4.300 5.544 2.498 587 1HG PRO 73 1HG PRO 73 -5.031 7.500 0.353 588 2HG PRO 73 2HG PRO 73 -4.352 5.869 0.196 589 1HD PRO 73 1HD PRO 73 -6.985 6.393 -0.161 590 2HD PRO 73 2HD PRO 73 -6.399 4.853 0.500 591 H ALA 74 H ALA 74 -6.674 8.598 1.294 592 HA ALA 74 HA ALA 74 -5.801 10.874 2.641 593 1HB ALA 74 1HB ALA 74 -8.213 11.120 0.935 594 2HB ALA 74 2HB ALA 74 -6.721 12.062 0.936 595 3HB ALA 74 3HB ALA 74 -6.755 10.462 0.193 596 H GLN 75 H GLN 75 -8.646 8.956 3.096 597 HA GLN 75 HA GLN 75 -9.940 11.009 4.716 598 1HB GLN 75 1HB GLN 75 -11.130 9.419 3.048 599 2HB GLN 75 2HB GLN 75 -10.978 8.218 4.324 600 1HG GLN 75 1HG GLN 75 -13.144 9.232 4.444 601 2HG GLN 75 2HG GLN 75 -12.196 9.723 5.846 602 1HE2 GLN 75 1HE2 GLN 75 -12.211 11.796 6.324 603 2HE2 GLN 75 2HE2 GLN 75 -12.608 13.087 5.246 604 H LEU 76 H LEU 76 -7.417 9.401 5.399 605 HA LEU 76 HA LEU 76 -8.251 8.774 8.136 606 1HB LEU 76 1HB LEU 76 -6.997 6.939 6.179 607 2HB LEU 76 2HB LEU 76 -6.394 6.878 7.834 608 HG LEU 76 HG LEU 76 -9.031 6.701 8.311 609 1HD1 LEU 76 1HD1 LEU 76 -10.190 5.466 6.695 610 2HD1 LEU 76 2HD1 LEU 76 -8.723 5.119 5.780 611 3HD1 LEU 76 3HD1 LEU 76 -9.392 6.751 5.788 612 1HD2 LEU 76 1HD2 LEU 76 -7.779 4.151 7.505 613 2HD2 LEU 76 2HD2 LEU 76 -8.542 4.613 9.027 614 3HD2 LEU 76 3HD2 LEU 76 -6.890 5.126 8.676 615 H GLU 77 H GLU 77 -6.526 10.741 6.378 616 HA GLU 77 HA GLU 77 -4.612 11.958 6.608 617 1HB GLU 77 1HB GLU 77 -4.729 11.227 9.527 618 2HB GLU 77 2HB GLU 77 -4.121 12.708 8.801 619 1HG GLU 77 1HG GLU 77 -6.639 12.852 7.956 620 2HG GLU 77 2HG GLU 77 -6.896 11.890 9.410 621 H MET 78 H MET 78 -4.028 9.491 5.677 622 HA MET 78 HA MET 78 -1.704 8.595 7.242 623 1HB MET 78 1HB MET 78 -3.128 7.148 5.002 624 2HB MET 78 2HB MET 78 -1.841 6.502 6.011 625 1HG MET 78 1HG MET 78 -3.619 7.195 7.905 626 2HG MET 78 2HG MET 78 -4.709 6.825 6.571 627 1HE MET 78 1HE MET 78 -1.771 5.660 8.709 628 2HE MET 78 2HE MET 78 -1.735 3.908 8.516 629 3HE MET 78 3HE MET 78 -1.164 4.951 7.212 630 H GLU 79 H GLU 79 -0.318 10.257 6.509 631 HA GLU 79 HA GLU 79 0.801 9.725 3.868 632 1HB GLU 79 1HB GLU 79 0.488 12.595 4.598 633 2HB GLU 79 2HB GLU 79 0.568 11.844 3.011 634 1HG GLU 79 1HG GLU 79 -1.709 10.987 3.315 635 2HG GLU 79 2HG GLU 79 -1.787 11.786 4.884 636 H ASP 80 H ASP 80 2.658 11.733 3.751 637 HA ASP 80 HA ASP 80 4.742 12.301 4.465 638 1HB ASP 80 1HB ASP 80 3.144 13.124 6.430 639 2HB ASP 80 2HB ASP 80 4.025 11.891 7.328 640 H GLU 81 H GLU 81 4.475 9.692 3.712 641 HA GLU 81 HA GLU 81 5.578 7.703 3.774 642 1HB GLU 81 1HB GLU 81 7.271 8.876 5.978 643 2HB GLU 81 2HB GLU 81 7.692 7.567 4.883 644 1HG GLU 81 1HG GLU 81 7.627 9.172 3.005 645 2HG GLU 81 2HG GLU 81 7.331 10.466 4.165 646 H ASP 82 H ASP 82 3.226 7.949 5.257 647 HA ASP 82 HA ASP 82 3.435 6.993 7.903 648 1HB ASP 82 1HB ASP 82 1.353 7.705 6.107 649 2HB ASP 82 2HB ASP 82 0.997 6.088 6.709 650 H THR 83 H THR 83 1.955 4.801 8.243 651 HA THR 83 HA THR 83 3.030 2.676 6.549 652 HB THR 83 HB THR 83 3.301 2.534 9.553 653 HG1 THR 83 1HG THR 83 5.142 3.546 9.347 654 1HG2 THR 83 1HG2 THR 83 3.432 0.594 7.502 655 2HG2 THR 83 2HG2 THR 83 3.820 0.395 9.211 656 3HG2 THR 83 3HG2 THR 83 5.081 0.857 8.068 657 H ILE 84 H ILE 84 1.200 1.748 5.875 658 HA ILE 84 HA ILE 84 -1.083 1.505 7.659 659 HB ILE 84 HB ILE 84 -0.863 0.520 4.816 660 1HG1 ILE 84 1HG1 ILE 84 -1.872 3.194 5.812 661 2HG1 ILE 84 2HG1 ILE 84 -0.359 2.936 4.950 662 1HG2 ILE 84 1HG2 ILE 84 -3.200 1.117 6.620 663 2HG2 ILE 84 2HG2 ILE 84 -3.341 0.792 4.893 664 3HG2 ILE 84 3HG2 ILE 84 -2.715 -0.452 5.976 665 1HD1 ILE 84 1HD1 ILE 84 -2.222 1.798 3.285 666 2HD1 ILE 84 2HD1 ILE 84 -3.061 3.207 3.935 667 3HD1 ILE 84 3HD1 ILE 84 -1.513 3.404 3.114 668 H ASP 85 H ASP 85 -1.496 -0.240 8.832 669 HA ASP 85 HA ASP 85 0.150 -2.591 8.588 670 1HB ASP 85 1HB ASP 85 -2.246 -2.217 10.388 671 2HB ASP 85 2HB ASP 85 -0.912 -3.348 10.596 672 H VAL 86 H VAL 86 -0.484 -4.649 8.003 673 HA VAL 86 HA VAL 86 -3.071 -4.820 6.598 674 HB VAL 86 HB VAL 86 -0.834 -5.020 5.285 675 1HG1 VAL 86 1HG1 VAL 86 -0.244 -6.911 7.105 676 2HG1 VAL 86 2HG1 VAL 86 -0.951 -7.915 5.838 677 3HG1 VAL 86 3HG1 VAL 86 0.432 -6.881 5.477 678 1HG2 VAL 86 1HG2 VAL 86 -2.832 -7.231 4.885 679 2HG2 VAL 86 2HG2 VAL 86 -3.194 -5.545 4.517 680 3HG2 VAL 86 3HG2 VAL 86 -1.891 -6.373 3.665 681 H PHE 87 H PHE 87 -3.962 -7.059 6.456 682 HA PHE 87 HA PHE 87 -3.541 -8.465 9.009 683 1HB PHE 87 1HB PHE 87 -5.825 -7.356 8.384 684 2HB PHE 87 2HB PHE 87 -6.026 -8.773 7.359 685 HD1 PHE 87 1HD PHE 87 -6.530 -7.442 10.571 686 HD2 PHE 87 2HD PHE 87 -5.630 -11.072 8.539 687 HE1 PHE 87 1HE PHE 87 -7.331 -8.724 12.512 688 HE2 PHE 87 2HE PHE 87 -6.431 -12.359 10.476 689 HZ PHE 87 HZ PHE 87 -7.284 -11.185 12.466 690 H GLN 88 H GLN 88 -2.247 -10.157 8.661 691 HA GLN 88 HA GLN 88 -2.581 -11.729 6.207 692 1HB GLN 88 1HB GLN 88 -0.309 -10.880 6.808 693 2HB GLN 88 2HB GLN 88 -0.362 -11.882 8.253 694 1HG GLN 88 1HG GLN 88 -0.020 -13.804 7.107 695 2HG GLN 88 2HG GLN 88 -0.860 -13.228 5.669 696 1HE2 GLN 88 1HE2 GLN 88 0.255 -11.870 4.212 697 2HE2 GLN 88 2HE2 GLN 88 1.982 -11.853 4.153 698 H GLN 89 H GLN 89 -3.552 -13.644 6.252 699 HA GLN 89 HA GLN 89 -3.971 -14.929 8.868 700 1HB GLN 89 1HB GLN 89 -5.960 -14.054 7.419 701 2HB GLN 89 2HB GLN 89 -5.672 -15.505 6.468 702 1HG GLN 89 1HG GLN 89 -6.261 -15.447 9.419 703 2HG GLN 89 2HG GLN 89 -7.427 -15.812 8.148 704 1HE2 GLN 89 1HE2 GLN 89 -5.217 -17.086 10.298 705 2HE2 GLN 89 2HE2 GLN 89 -5.089 -18.677 9.636 706 H GLN 90 H GLN 90 -1.724 -15.765 8.330 707 HA GLN 90 HA GLN 90 -1.958 -18.208 6.699 708 1HB GLN 90 1HB GLN 90 0.259 -16.228 6.977 709 2HB GLN 90 2HB GLN 90 0.669 -17.914 6.688 710 1HG GLN 90 1HG GLN 90 -1.110 -17.655 4.761 711 2HG GLN 90 2HG GLN 90 -0.675 -15.954 4.913 712 1HE2 GLN 90 1HE2 GLN 90 1.781 -15.619 5.047 713 2HE2 GLN 90 2HE2 GLN 90 2.716 -16.487 3.882 714 H THR 91 H THR 91 0.005 -19.740 7.392 715 HA THR 91 HA THR 91 -0.494 -20.323 10.198 716 HB THR 91 HB THR 91 1.073 -21.937 8.177 717 HG1 THR 91 1HG THR 91 -1.665 -21.942 8.925 718 1HG2 THR 91 1HG2 THR 91 0.583 -22.223 11.022 719 2HG2 THR 91 2HG2 THR 91 1.680 -23.122 9.973 720 3HG2 THR 91 3HG2 THR 91 -0.009 -23.611 10.111 721 H GLY 92 H GLY 92 2.020 -19.074 8.174 722 1HA GLY 92 2HA GLY 92 3.774 -18.923 10.540 723 2HA GLY 92 3HA GLY 92 4.417 -19.424 8.983 724 H GLY 93 H GLY 93 5.331 -17.202 10.512 725 1HA GLY 93 2HA GLY 93 5.189 -15.182 8.465 726 2HA GLY 93 3HA GLY 93 4.377 -14.713 9.952 727 H VAL 94 H VAL 94 6.912 -13.830 8.497 728 HA VAL 94 HA VAL 94 8.580 -13.749 10.909 729 HB VAL 94 HB VAL 94 9.704 -14.252 8.151 730 1HG1 VAL 94 1HG1 VAL 94 11.210 -12.979 9.543 731 2HG1 VAL 94 2HG1 VAL 94 11.003 -14.125 10.869 732 3HG1 VAL 94 3HG1 VAL 94 11.811 -14.630 9.385 733 1HG2 VAL 94 1HG2 VAL 94 10.395 -16.407 9.681 734 2HG2 VAL 94 2HG2 VAL 94 8.752 -16.079 10.229 735 3HG2 VAL 94 3HG2 VAL 94 9.069 -16.371 8.519 736 H TYR 95 H TYR 95 8.683 -11.671 11.435 737 HA TYR 95 HA TYR 95 8.642 -9.639 9.332 738 1HB TYR 95 1HB TYR 95 8.144 -8.052 11.094 739 2HB TYR 95 2HB TYR 95 7.067 -9.436 11.242 740 HD1 TYR 95 1HD TYR 95 9.745 -7.534 12.802 741 HD2 TYR 95 2HD TYR 95 7.387 -11.065 13.068 742 HE1 TYR 95 1HE TYR 95 10.440 -7.814 15.145 743 HE2 TYR 95 2HE TYR 95 8.074 -11.355 15.412 744 HH TYR 95 HH TYR 95 10.223 -10.553 16.811
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